Index: tests/regression/Filling/RegularGrid/pre/double_sles.data
===================================================================
--- tests/regression/Filling/RegularGrid/pre/double_sles.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
+++ tests/regression/Filling/RegularGrid/pre/double_sles.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
@@ -0,0 +1,116 @@
+# ATOMDATA	Id	name	resName	chainID	x=3	type	neighbors=4	charge
+# Box	14.199	0	0	0	21.6216	0	0	0	33.9159
+1	NA	SLES	1	8.8536	11.6216	5.1044	NA	0	0	0	0	1	
+2	S	SLES	1	6.8086	8.7147	5.9519	SL	3	4	5	6	1.33	
+3	OS1	SLES	1	7.6774	9.6177	7.0641	OSL	2	7	0	0	-0.28	
+4	OS2	SLES	1	5.9054	9.6361	5.2941	O2L	2	0	0	0	-0.65	
+5	OS3	SLES	1	7.7756	8.2093	5	O2L	2	0	0	0	-0.65	
+6	OS4	SLES	1	6.0573	7.6106	6.5273	O2L	2	0	0	0	-0.65	
+7	C2	SLES	1	7.3282	9.2021	8.4518	CC32A	3	8	9	10	-0.11	
+8	H2A	SLES	1	6.2178	9.2763	8.621	HCA2	7	0	0	0	0.09	
+9	H2B	SLES	1	7.6482	8.133	8.5957	HCA2	7	0	0	0	0.09	
+10	C1	SLES	1	8.0977	10.1424	9.4959	CC32A	7	11	12	13	-0.01	
+11	H1B	SLES	1	7.8501	11.2106	9.2979	HCA2	10	0	0	0	0.09	
+12	H1A	SLES	1	9.199	10.0033	9.3916	HCA2	10	0	0	0	0.09	
+13	O1	SLES	1	7.8467	10.0035	10.9435	OC30A	10	14	0	0	-0.34	
+14	C2	SLES	1	7.2308	8.7724	11.3767	CC32A	13	15	16	17	-0.01	
+15	H2A	SLES	1	6.2661	8.7996	10.8332	HCA2	14	0	0	0	0.09	
+16	H2B	SLES	1	7.8837	8.0007	10.9102	HCA2	14	0	0	0	0.09	
+17	C1	SLES	1	6.9747	8.4076	12.8729	CC32A	14	18	19	20	-0.01	
+18	H1B	SLES	1	5.9645	8.7585	13.1769	HCA2	17	0	0	0	0.09	
+19	H1A	SLES	1	7.0195	7.3067	12.9939	HCA2	17	0	0	0	0.09	
+20	O1	SLES	1	7.7714	8.9429	13.9781	OC30A	17	21	0	0	-0.34	
+21	C1	SLES	1	7.8871	8.0556	15.15	CTL2	20	22	23	24	-0.18	
+22	H11	SLES	1	7.169	7.2284	15.0046	HAL2	21	0	0	0	0.09	
+23	H12	SLES	1	8.916	7.6603	15.0222	HAL2	21	0	0	0	0.09	
+24	C2	SLES	1	7.7199	8.6535	16.6029	CTL2	21	25	26	27	-0.18	
+25	H21	SLES	1	7.4833	9.7383	16.5257	HAL2	24	0	0	0	0.09	
+26	H22	SLES	1	8.6832	8.5511	17.1489	HAL2	24	0	0	0	0.09	
+27	C3	SLES	1	6.5603	7.9224	17.4392	CTL2	24	28	29	30	-0.18	
+28	H31	SLES	1	5.6644	8.5819	17.4671	HAL2	27	0	0	0	0.09	
+29	H32	SLES	1	6.2764	6.9853	16.9201	HAL2	27	0	0	0	0.09	
+30	C4	SLES	1	6.9911	7.5773	18.9249	CTL2	27	31	32	33	-0.18	
+31	H41	SLES	1	6.5412	8.3237	19.6124	HAL2	30	0	0	0	0.09	
+32	H42	SLES	1	8.0963	7.6544	19.0117	HAL2	30	0	0	0	0.09	
+33	C5	SLES	1	6.5369	6.1149	19.3723	CTL2	30	34	35	36	-0.18	
+34	H51	SLES	1	5.7382	5.7569	18.6858	HAL2	33	0	0	0	0.09	
+35	H52	SLES	1	7.404	5.4217	19.2794	HAL2	33	0	0	0	0.09	
+36	C6	SLES	1	5.9977	6.0654	20.8515	CTL2	33	37	38	39	-0.18	
+37	H61	SLES	1	5	6.5575	20.8906	HAL2	36	0	0	0	0.09	
+38	H62	SLES	1	5.8667	5	21.1536	HAL2	36	0	0	0	0.09	
+39	C7	SLES	1	6.9524	6.7681	21.8678	CTL2	36	40	41	42	-0.18	
+40	H71	SLES	1	6.7767	7.8661	21.831	HAL2	39	0	0	0	0.09	
+41	H72	SLES	1	8.007	6.5788	21.5672	HAL2	39	0	0	0	0.09	
+42	C8	SLES	1	6.7452	6.2738	23.3211	CTL2	39	43	44	45	-0.18	
+43	H81	SLES	1	5.6542	6.2507	23.5459	HAL2	42	0	0	0	0.09	
+44	H82	SLES	1	7.1373	5.2352	23.4116	HAL2	42	0	0	0	0.09	
+45	C9	SLES	1	7.4571	7.176	24.3602	CTL2	42	46	47	48	-0.18	
+46	H91	SLES	1	7.086	8.2202	24.2491	HAL2	45	0	0	0	0.09	
+47	H92	SLES	1	8.5507	7.1762	24.1518	HAL2	45	0	0	0	0.09	
+48	C10	SLES	1	7.2208	6.7092	25.8161	CTL2	45	49	50	51	-0.18	
+49	H10	SLES	1	6.1283	6.7313	26.0323	HAL2	48	0	0	0	0.09	
+50	H10	SLES	1	7.5713	5.6576	25.9222	HAL2	48	0	0	0	0.09	
+51	C11	SLES	1	7.9602	7.5968	26.8521	CTL2	48	52	53	54	-0.18	
+52	H11	SLES	1	7.6013	8.6462	26.7466	HAL2	51	0	0	0	0.09	
+53	H11	SLES	1	9.0499	7.586	26.6209	HAL2	51	0	0	0	0.09	
+54	C12	SLES	1	7.7565	7.1444	28.3212	CTL3	51	55	56	57	-0.27	
+55	H12	SLES	1	7.2902	7.9606	28.9159	HAL3	54	0	0	0	0.09	
+56	H12	SLES	1	8.7336	6.8825	28.784	HAL3	54	0	0	0	0.09	
+57	H12	SLES	1	7.0942	6.2524	28.3633	HAL3	54	0	0	0	0.09	
+58	NA	SLES	1	8.8536	16.6216	5.1044	NA	0	0	0	0	1	
+59	S	SLES	1	6.8086	13.7147	5.9519	SL	60	61	62	63	1.33	
+60	OS1	SLES	1	7.6774	14.6177	7.0641	OSL	59	64	0	0	-0.28	
+61	OS2	SLES	1	5.9054	14.6361	5.2941	O2L	59	0	0	0	-0.65	
+62	OS3	SLES	1	7.7756	13.2093	5	O2L	59	0	0	0	-0.65	
+63	OS4	SLES	1	6.0573	12.6106	6.5273	O2L	59	0	0	0	-0.65	
+64	C2	SLES	1	7.3282	14.2021	8.4518	CC32A	60	65	66	67	-0.11	
+65	H2A	SLES	1	6.2178	14.2763	8.621	HCA2	64	0	0	0	0.09	
+66	H2B	SLES	1	7.6482	13.133	8.5957	HCA2	64	0	0	0	0.09	
+67	C1	SLES	1	8.0977	15.1424	9.4959	CC32A	64	68	69	70	-0.01	
+68	H1B	SLES	1	7.8501	16.2106	9.2979	HCA2	67	0	0	0	0.09	
+69	H1A	SLES	1	9.199	15.0033	9.3916	HCA2	67	0	0	0	0.09	
+70	O1	SLES	1	7.8467	15.0035	10.9435	OC30A	67	71	0	0	-0.34	
+71	C2	SLES	1	7.2308	13.7724	11.3767	CC32A	70	72	73	74	-0.01	
+72	H2A	SLES	1	6.2661	13.7996	10.8332	HCA2	71	0	0	0	0.09	
+73	H2B	SLES	1	7.8837	13.0007	10.9102	HCA2	71	0	0	0	0.09	
+74	C1	SLES	1	6.9747	13.4076	12.8729	CC32A	71	75	76	77	-0.01	
+75	H1B	SLES	1	5.9645	13.7585	13.1769	HCA2	74	0	0	0	0.09	
+76	H1A	SLES	1	7.0195	12.3067	12.9939	HCA2	74	0	0	0	0.09	
+77	O1	SLES	1	7.7714	13.9429	13.9781	OC30A	74	78	0	0	-0.34	
+78	C1	SLES	1	7.8871	13.0556	15.15	CTL2	77	79	80	81	-0.18	
+79	H11	SLES	1	7.169	12.2284	15.0046	HAL2	78	0	0	0	0.09	
+80	H12	SLES	1	8.916	12.6603	15.0222	HAL2	78	0	0	0	0.09	
+81	C2	SLES	1	7.7199	13.6535	16.6029	CTL2	78	82	83	84	-0.18	
+82	H21	SLES	1	7.4833	14.7383	16.5257	HAL2	81	0	0	0	0.09	
+83	H22	SLES	1	8.6832	13.5511	17.1489	HAL2	81	0	0	0	0.09	
+84	C3	SLES	1	6.5603	12.9224	17.4392	CTL2	81	85	86	87	-0.18	
+85	H31	SLES	1	5.6644	13.5819	17.4671	HAL2	84	0	0	0	0.09	
+86	H32	SLES	1	6.2764	11.9853	16.9201	HAL2	84	0	0	0	0.09	
+87	C4	SLES	1	6.9911	12.5773	18.9249	CTL2	84	88	89	90	-0.18	
+88	H41	SLES	1	6.5412	13.3237	19.6124	HAL2	87	0	0	0	0.09	
+89	H42	SLES	1	8.0963	12.6544	19.0117	HAL2	87	0	0	0	0.09	
+90	C5	SLES	1	6.5369	11.1149	19.3723	CTL2	87	91	92	93	-0.18	
+91	H51	SLES	1	5.7382	10.7569	18.6858	HAL2	90	0	0	0	0.09	
+92	H52	SLES	1	7.404	10.4217	19.2794	HAL2	90	0	0	0	0.09	
+93	C6	SLES	1	5.9977	11.0654	20.8515	CTL2	90	94	95	96	-0.18	
+94	H61	SLES	1	5	11.5575	20.8906	HAL2	93	0	0	0	0.09	
+95	H62	SLES	1	5.8667	10	21.1536	HAL2	93	0	0	0	0.09	
+96	C7	SLES	1	6.9524	11.7681	21.8678	CTL2	93	97	98	99	-0.18	
+97	H71	SLES	1	6.7767	12.8661	21.831	HAL2	96	0	0	0	0.09	
+98	H72	SLES	1	8.007	11.5788	21.5672	HAL2	96	0	0	0	0.09	
+99	C8	SLES	1	6.7452	11.2738	23.3211	CTL2	96	100	101	102	-0.18	
+100	H81	SLES	1	5.6542	11.2507	23.5459	HAL2	99	0	0	0	0.09	
+101	H82	SLES	1	7.1373	10.2352	23.4116	HAL2	99	0	0	0	0.09	
+102	C9	SLES	1	7.4571	12.176	24.3602	CTL2	99	103	104	105	-0.18	
+103	H91	SLES	1	7.086	13.2202	24.2491	HAL2	102	0	0	0	0.09	
+104	H92	SLES	1	8.5507	12.1762	24.1518	HAL2	102	0	0	0	0.09	
+105	C10	SLES	1	7.2208	11.7092	25.8161	CTL2	102	106	107	108	-0.18	
+106	H10	SLES	1	6.1283	11.7313	26.0323	HAL2	105	0	0	0	0.09	
+107	H10	SLES	1	7.5713	10.6576	25.9222	HAL2	105	0	0	0	0.09	
+108	C11	SLES	1	7.9602	12.5968	26.8521	CTL2	105	109	110	111	-0.18	
+109	H11	SLES	1	7.6013	13.6462	26.7466	HAL2	108	0	0	0	0.09	
+110	H11	SLES	1	9.0499	12.586	26.6209	HAL2	108	0	0	0	0.09	
+111	C12	SLES	1	7.7565	12.1444	28.3212	CTL3	108	112	113	114	-0.27	
+112	H12	SLES	1	7.2902	12.9606	28.9159	HAL3	111	0	0	0	0.09	
+113	H12	SLES	1	8.7336	11.8825	28.784	HAL3	111	0	0	0	0.09	
+114	H12	SLES	1	7.0942	11.2524	28.3633	HAL3	111	0	0	0	0.09	
Index: tests/regression/Filling/RegularGrid/pre/single_sles.data
===================================================================
--- tests/regression/Filling/RegularGrid/pre/single_sles.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
+++ tests/regression/Filling/RegularGrid/pre/single_sles.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
@@ -0,0 +1,59 @@
+# ATOMDATA	Id	name	resName	chainID	x=3	type	neighbors=4	charge
+# Box	14.199	0	0	0	16.6216	0	0	0	33.9159
+1	NA	SLES	1	8.8536	11.6216	5.1044	NA	0	0	0	0	1	
+2	S	SLES	1	6.8086	8.7147	5.9519	SL	3	4	5	6	1.33	
+3	OS1	SLES	1	7.6774	9.6177	7.0641	OSL	2	7	0	0	-0.28	
+4	OS2	SLES	1	5.9054	9.6361	5.2941	O2L	2	0	0	0	-0.65	
+5	OS3	SLES	1	7.7756	8.2093	5	O2L	2	0	0	0	-0.65	
+6	OS4	SLES	1	6.0573	7.6106	6.5273	O2L	2	0	0	0	-0.65	
+7	C2	SLES	1	7.3282	9.2021	8.4518	CC32A	3	8	9	10	-0.11	
+8	H2A	SLES	1	6.2178	9.2763	8.621	HCA2	7	0	0	0	0.09	
+9	H2B	SLES	1	7.6482	8.133	8.5957	HCA2	7	0	0	0	0.09	
+10	C1	SLES	1	8.0977	10.1424	9.4959	CC32A	7	11	12	13	-0.01	
+11	H1B	SLES	1	7.8501	11.2106	9.2979	HCA2	10	0	0	0	0.09	
+12	H1A	SLES	1	9.199	10.0033	9.3916	HCA2	10	0	0	0	0.09	
+13	O1	SLES	1	7.8467	10.0035	10.9435	OC30A	10	14	0	0	-0.34	
+14	C2	SLES	1	7.2308	8.7724	11.3767	CC32A	13	15	16	17	-0.01	
+15	H2A	SLES	1	6.2661	8.7996	10.8332	HCA2	14	0	0	0	0.09	
+16	H2B	SLES	1	7.8837	8.0007	10.9102	HCA2	14	0	0	0	0.09	
+17	C1	SLES	1	6.9747	8.4076	12.8729	CC32A	14	18	19	20	-0.01	
+18	H1B	SLES	1	5.9645	8.7585	13.1769	HCA2	17	0	0	0	0.09	
+19	H1A	SLES	1	7.0195	7.3067	12.9939	HCA2	17	0	0	0	0.09	
+20	O1	SLES	1	7.7714	8.9429	13.9781	OC30A	17	21	0	0	-0.34	
+21	C1	SLES	1	7.8871	8.0556	15.15	CTL2	20	22	23	24	-0.18	
+22	H11	SLES	1	7.169	7.2284	15.0046	HAL2	21	0	0	0	0.09	
+23	H12	SLES	1	8.916	7.6603	15.0222	HAL2	21	0	0	0	0.09	
+24	C2	SLES	1	7.7199	8.6535	16.6029	CTL2	21	25	26	27	-0.18	
+25	H21	SLES	1	7.4833	9.7383	16.5257	HAL2	24	0	0	0	0.09	
+26	H22	SLES	1	8.6832	8.5511	17.1489	HAL2	24	0	0	0	0.09	
+27	C3	SLES	1	6.5603	7.9224	17.4392	CTL2	24	28	29	30	-0.18	
+28	H31	SLES	1	5.6644	8.5819	17.4671	HAL2	27	0	0	0	0.09	
+29	H32	SLES	1	6.2764	6.9853	16.9201	HAL2	27	0	0	0	0.09	
+30	C4	SLES	1	6.9911	7.5773	18.9249	CTL2	27	31	32	33	-0.18	
+31	H41	SLES	1	6.5412	8.3237	19.6124	HAL2	30	0	0	0	0.09	
+32	H42	SLES	1	8.0963	7.6544	19.0117	HAL2	30	0	0	0	0.09	
+33	C5	SLES	1	6.5369	6.1149	19.3723	CTL2	30	34	35	36	-0.18	
+34	H51	SLES	1	5.7382	5.7569	18.6858	HAL2	33	0	0	0	0.09	
+35	H52	SLES	1	7.404	5.4217	19.2794	HAL2	33	0	0	0	0.09	
+36	C6	SLES	1	5.9977	6.0654	20.8515	CTL2	33	37	38	39	-0.18	
+37	H61	SLES	1	5	6.5575	20.8906	HAL2	36	0	0	0	0.09	
+38	H62	SLES	1	5.8667	5	21.1536	HAL2	36	0	0	0	0.09	
+39	C7	SLES	1	6.9524	6.7681	21.8678	CTL2	36	40	41	42	-0.18	
+40	H71	SLES	1	6.7767	7.8661	21.831	HAL2	39	0	0	0	0.09	
+41	H72	SLES	1	8.007	6.5788	21.5672	HAL2	39	0	0	0	0.09	
+42	C8	SLES	1	6.7452	6.2738	23.3211	CTL2	39	43	44	45	-0.18	
+43	H81	SLES	1	5.6542	6.2507	23.5459	HAL2	42	0	0	0	0.09	
+44	H82	SLES	1	7.1373	5.2352	23.4116	HAL2	42	0	0	0	0.09	
+45	C9	SLES	1	7.4571	7.176	24.3602	CTL2	42	46	47	48	-0.18	
+46	H91	SLES	1	7.086	8.2202	24.2491	HAL2	45	0	0	0	0.09	
+47	H92	SLES	1	8.5507	7.1762	24.1518	HAL2	45	0	0	0	0.09	
+48	C10	SLES	1	7.2208	6.7092	25.8161	CTL2	45	49	50	51	-0.18	
+49	H10	SLES	1	6.1283	6.7313	26.0323	HAL2	48	0	0	0	0.09	
+50	H10	SLES	1	7.5713	5.6576	25.9222	HAL2	48	0	0	0	0.09	
+51	C11	SLES	1	7.9602	7.5968	26.8521	CTL2	48	52	53	54	-0.18	
+52	H11	SLES	1	7.6013	8.6462	26.7466	HAL2	51	0	0	0	0.09	
+53	H11	SLES	1	9.0499	7.586	26.6209	HAL2	51	0	0	0	0.09	
+54	C12	SLES	1	7.7565	7.1444	28.3212	CTL3	51	55	56	57	-0.27	
+55	H12	SLES	1	7.2902	7.9606	28.9159	HAL3	54	0	0	0	0.09	
+56	H12	SLES	1	8.7336	6.8825	28.784	HAL3	54	0	0	0	0.09	
+57	H12	SLES	1	7.0942	6.2524	28.3633	HAL3	54	0	0	0	0.09	
Index: tests/regression/Filling/RegularGrid/pre/sles.potentials
===================================================================
--- tests/regression/Filling/RegularGrid/pre/sles.potentials	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
+++ tests/regression/Filling/RegularGrid/pre/sles.potentials	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
@@ -0,0 +1,1546 @@
+particles	{
+	particle:	particle_type=OW,	element_name=O,	sigma=3.1506,	epsilon=0.1521,	sigma14=3.1506,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=-0.834;
+	particle:	particle_type=HW,	element_name=H,	sigma=0.4,	epsilon=0.046,	sigma14=0.4,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0.417;
+	particle:	particle_type=Na,	element_name=Na,	sigma=2.22,	epsilon=0.9999999,	sigma14=2.22,	epsilon14=0.9999999,	mass=22.98977,	free=3,	charge=0.9999995;
+	particle:	particle_type=Cl,	element_name=Cl,	sigma=3.88,	epsilon=0.9999999,	sigma14=3.88,	epsilon14=0.9999999,	mass=35.45271,	free=3,	charge=-0.9999995;
+	particle:	particle_type=CC30A,	element_name=C,	sigma=4,	epsilon=0.032,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=CEL2,	element_name=C,	sigma=4.16,	epsilon=0.064,	sigma14=4.16,	epsilon14=0.064,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=CTL3,	element_name=C,	sigma=4.08,	epsilon=0.078,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=OBL,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=2.8,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
+	particle:	particle_type=HT,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=HCA25A,	element_name=H,	sigma=2.6,	epsilon=0.035,	sigma14=2.6,	epsilon14=0.035,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=NTL,	element_name=N,	sigma=3.7,	epsilon=0.2,	sigma14=3.7,	epsilon14=0.2,	mass=14.007,	free=3,	charge=0;
+	particle:	particle_type=HOL,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=CC326A,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=CC33A,	element_name=C,	sigma=4.08,	epsilon=0.078,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=NE,	element_name=Ne,	sigma=3.06,	epsilon=0.086,	sigma14=3.06,	epsilon14=0.086,	mass=20.1797,	free=3,	charge=0;
+	particle:	particle_type=CLA,	element_name=Cl,	sigma=4.54,	epsilon=0.15,	sigma14=4.54,	epsilon14=0.15,	mass=35.45,	free=3,	charge=0;
+	particle:	particle_type=DUM,	element_name=H,	sigma=0,	epsilon=0,	sigma14=0,	epsilon14=0,	mass=0,	free=3,	charge=0;
+	particle:	particle_type=NA,	element_name=Na,	sigma=2.7275,	epsilon=0.0469,	sigma14=2.7275,	epsilon14=0.0469,	mass=22.98977,	free=3,	charge=0;
+	particle:	particle_type=CC32A,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=O2L,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=3.4,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
+	particle:	particle_type=CC31A,	element_name=C,	sigma=4,	epsilon=0.032,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=OSL,	element_name=O,	sigma=3.54,	epsilon=0.1521,	sigma14=3.54,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
+	particle:	particle_type=CTL5,	element_name=C,	sigma=4.12,	epsilon=0.08,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=HEL1,	element_name=H,	sigma=2.5,	epsilon=0.031,	sigma14=2.5,	epsilon14=0.031,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=SL,	element_name=S,	sigma=4.2,	epsilon=0.47,	sigma14=4.2,	epsilon14=0.47,	mass=32.06,	free=3,	charge=0;
+	particle:	particle_type=OT,	element_name=O,	sigma=3.5364,	epsilon=0.1521,	sigma14=3.5364,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
+	particle:	particle_type=HAL1,	element_name=H,	sigma=2.64,	epsilon=0.022,	sigma14=2.64,	epsilon14=0.022,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=HEL2,	element_name=H,	sigma=2.52,	epsilon=0.026,	sigma14=2.52,	epsilon14=0.026,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=HE,	element_name=H,	sigma=2.96,	epsilon=0.02127,	sigma14=2.96,	epsilon14=0.02127,	mass=4.0026,	free=3,	charge=0;
+	particle:	particle_type=HCA3,	element_name=H,	sigma=2.68,	epsilon=0.024,	sigma14=2.68,	epsilon14=0.024,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=OHL,	element_name=O,	sigma=3.54,	epsilon=0.1521,	sigma14=3.54,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
+	particle:	particle_type=OC305A,	element_name=O,	sigma=3.3,	epsilon=0.1,	sigma14=3.3,	epsilon14=0.1,	mass=15.9994,	free=3,	charge=0;
+	particle:	particle_type=CC325B,	element_name=C,	sigma=4.04,	epsilon=0.06,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=NH3L,	element_name=N,	sigma=3.7,	epsilon=0.2,	sigma14=3.7,	epsilon14=0.2,	mass=14.007,	free=3,	charge=0;
+	particle:	particle_type=HL,	element_name=H,	sigma=1.4,	epsilon=0.046,	sigma14=1.4,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=CEL1,	element_name=C,	sigma=4.18,	epsilon=0.068,	sigma14=4.18,	epsilon14=0.068,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=CTL1,	element_name=C,	sigma=4.55,	epsilon=0.02,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=HAL2,	element_name=H,	sigma=2.68,	epsilon=0.028,	sigma14=2.68,	epsilon14=0.028,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=OCL,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=3.4,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
+	particle:	particle_type=MG,	element_name=Mg,	sigma=2.37,	epsilon=0.015,	sigma14=2.37,	epsilon14=0.015,	mass=24.305,	free=3,	charge=0;
+	particle:	particle_type=OC30A,	element_name=O,	sigma=3.3,	epsilon=0.1,	sigma14=3.3,	epsilon14=0.1,	mass=15.9994,	free=3,	charge=0;
+	particle:	particle_type=HAL3,	element_name=H,	sigma=2.68,	epsilon=0.024,	sigma14=2.68,	epsilon14=0.024,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=HCA2,	element_name=H,	sigma=2.68,	epsilon=0.035,	sigma14=2.68,	epsilon14=0.035,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=PL,	element_name=P,	sigma=4.3,	epsilon=0.585,	sigma14=4.3,	epsilon14=0.585,	mass=30.974,	free=3,	charge=0;
+	particle:	particle_type=HCA1,	element_name=H,	sigma=2.68,	epsilon=0.045,	sigma14=2.68,	epsilon14=0.045,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=HCL,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
+	particle:	particle_type=CC325A,	element_name=C,	sigma=4.04,	epsilon=0.06,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=CTL2,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
+	particle:	particle_type=POT,	element_name=K,	sigma=3.5275,	epsilon=0.087,	sigma14=3.5275,	epsilon14=0.087,	mass=39.102,	free=3,	charge=0;
+	particle:	particle_type=CL,	element_name=C,	sigma=4,	epsilon=0.07,	sigma14=4,	epsilon14=0.07,	mass=12.011,	free=3,	charge=0;
+	};
+bonds	{
+	bond:	particle_type1=OW,	particle_type2=HW,	bond_type=harmonic,	k_b=450,	r_0=0.957,	k=0,	e_0=0;
+	bond:	particle_type1=CC30A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
+	bond:	particle_type1=CC30A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
+	bond:	particle_type1=HEL2,	particle_type2=CEL2,	bond_type=harmonic,	k_b=365,	r_0=1.1,	k=0,	e_0=0;
+	bond:	particle_type1=CEL2,	particle_type2=CEL2,	bond_type=harmonic,	k_b=510,	r_0=1.33,	k=0,	e_0=0;
+	bond:	particle_type1=CTL3,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
+	bond:	particle_type1=CTL3,	particle_type2=HAL3,	bond_type=harmonic,	k_b=322,	r_0=1.111,	k=0,	e_0=0;
+	bond:	particle_type1=CTL3,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
+	bond:	particle_type1=CTL3,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
+	bond:	particle_type1=OBL,	particle_type2=CL,	bond_type=harmonic,	k_b=750,	r_0=1.22,	k=0,	e_0=0;
+	bond:	particle_type1=OHL,	particle_type2=CTL3,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
+	bond:	particle_type1=OHL,	particle_type2=CTL2,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
+	bond:	particle_type1=OHL,	particle_type2=CTL1,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
+	bond:	particle_type1=OHL,	particle_type2=CL,	bond_type=harmonic,	k_b=230,	r_0=1.4,	k=0,	e_0=0;
+	bond:	particle_type1=OHL,	particle_type2=PL,	bond_type=harmonic,	k_b=237,	r_0=1.59,	k=0,	e_0=0;
+	bond:	particle_type1=HT,	particle_type2=HT,	bond_type=harmonic,	k_b=0,	r_0=1.5139,	k=0,	e_0=0;
+	bond:	particle_type1=HT,	particle_type2=OT,	bond_type=harmonic,	k_b=450,	r_0=0.9572,	k=0,	e_0=0;
+	bond:	particle_type1=CC325B,	particle_type2=OC305A,	bond_type=harmonic,	k_b=350,	r_0=1.425,	k=0,	e_0=0;
+	bond:	particle_type1=CC325B,	particle_type2=HCA25A,	bond_type=harmonic,	k_b=307,	r_0=1.1,	k=0,	e_0=0;
+	bond:	particle_type1=CC325B,	particle_type2=CC325B,	bond_type=harmonic,	k_b=195,	r_0=1.518,	k=0,	e_0=0;
+	bond:	particle_type1=CC325B,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
+	bond:	particle_type1=NTL,	particle_type2=CTL5,	bond_type=harmonic,	k_b=215,	r_0=1.51,	k=0,	e_0=0;
+	bond:	particle_type1=NTL,	particle_type2=CTL2,	bond_type=harmonic,	k_b=215,	r_0=1.51,	k=0,	e_0=0;
+	bond:	particle_type1=HOL,	particle_type2=OHL,	bond_type=harmonic,	k_b=545,	r_0=0.96,	k=0,	e_0=0;
+	bond:	particle_type1=CC326A,	particle_type2=CC326A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
+	bond:	particle_type1=CC326A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
+	bond:	particle_type1=CC326A,	particle_type2=HCA2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
+	bond:	particle_type1=NH3L,	particle_type2=HCL,	bond_type=harmonic,	k_b=410,	r_0=1.04,	k=0,	e_0=0;
+	bond:	particle_type1=NH3L,	particle_type2=CTL2,	bond_type=harmonic,	k_b=261,	r_0=1.51,	k=0,	e_0=0;
+	bond:	particle_type1=CC33A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
+	bond:	particle_type1=CC33A,	particle_type2=HCA3,	bond_type=harmonic,	k_b=322,	r_0=1.111,	k=0,	e_0=0;
+	bond:	particle_type1=CC33A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
+	bond:	particle_type1=CEL1,	particle_type2=CEL2,	bond_type=harmonic,	k_b=500,	r_0=1.342,	k=0,	e_0=0;
+	bond:	particle_type1=CEL1,	particle_type2=CTL3,	bond_type=harmonic,	k_b=383,	r_0=1.504,	k=0,	e_0=0;
+	bond:	particle_type1=CEL1,	particle_type2=CEL1,	bond_type=harmonic,	k_b=440,	r_0=1.34,	k=0,	e_0=0;
+	bond:	particle_type1=CEL1,	particle_type2=CTL2,	bond_type=harmonic,	k_b=365,	r_0=1.502,	k=0,	e_0=0;
+	bond:	particle_type1=CTL1,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
+	bond:	particle_type1=CTL1,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
+	bond:	particle_type1=CTL1,	particle_type2=CTL1,	bond_type=harmonic,	k_b=222.5,	r_0=1.5,	k=0,	e_0=0;
+	bond:	particle_type1=CTL1,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
+	bond:	particle_type1=CTL1,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
+	bond:	particle_type1=CTL1,	particle_type2=HAL1,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
+	bond:	particle_type1=CC32A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
+	bond:	particle_type1=CC32A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
+	bond:	particle_type1=CC32A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
+	bond:	particle_type1=CC32A,	particle_type2=HCA2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
+	bond:	particle_type1=O2L,	particle_type2=PL,	bond_type=harmonic,	k_b=580,	r_0=1.48,	k=0,	e_0=0;
+	bond:	particle_type1=CC31A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
+	bond:	particle_type1=CC31A,	particle_type2=HCA1,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
+	bond:	particle_type1=CC31A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
+	bond:	particle_type1=CC31A,	particle_type2=CC31A,	bond_type=harmonic,	k_b=222.5,	r_0=1.5,	k=0,	e_0=0;
+	bond:	particle_type1=OCL,	particle_type2=CL,	bond_type=harmonic,	k_b=525,	r_0=1.26,	k=0,	e_0=0;
+	bond:	particle_type1=OSL,	particle_type2=CL,	bond_type=harmonic,	k_b=150,	r_0=1.334,	k=0,	e_0=0;
+	bond:	particle_type1=OSL,	particle_type2=PL,	bond_type=harmonic,	k_b=270,	r_0=1.6,	k=0,	e_0=0;
+	bond:	particle_type1=CTL5,	particle_type2=HL,	bond_type=harmonic,	k_b=300,	r_0=1.08,	k=0,	e_0=0;
+	bond:	particle_type1=CC325A,	particle_type2=HCA25A,	bond_type=harmonic,	k_b=307,	r_0=1.116,	k=0,	e_0=0;
+	bond:	particle_type1=CC325A,	particle_type2=CC325A,	bond_type=harmonic,	k_b=195,	r_0=1.548,	k=0,	e_0=0;
+	bond:	particle_type1=HEL1,	particle_type2=CEL1,	bond_type=harmonic,	k_b=360.5,	r_0=1.1,	k=0,	e_0=0;
+	bond:	particle_type1=CTL2,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
+	bond:	particle_type1=CTL2,	particle_type2=HL,	bond_type=harmonic,	k_b=300,	r_0=1.08,	k=0,	e_0=0;
+	bond:	particle_type1=CTL2,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
+	bond:	particle_type1=CTL2,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
+	bond:	particle_type1=CTL2,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
+	bond:	particle_type1=CTL2,	particle_type2=HAL2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
+	bond:	particle_type1=SL,	particle_type2=O2L,	bond_type=harmonic,	k_b=540,	r_0=1.448,	k=0,	e_0=0;
+	bond:	particle_type1=SL,	particle_type2=OSL,	bond_type=harmonic,	k_b=250,	r_0=1.575,	k=0,	e_0=0;
+	bond:	particle_type1=CC32A,	particle_type2=OSL,	bond_type=harmonic,	k_b=349.86,	r_0=1.4225,	k=0,	e_0=0;
+	bond:	particle_type1=CC32A,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
+	bond:	particle_type1=CTL2,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
+	};
+angles	{
+	angle:	particle_type1=HW,	particle_type2=OW,	particle_type3=HW,	angle_type=harmonic,	k_th=55,	theta_0=104.52,	k_1=0,	k_2=0,	k=0,	cos_theta_0=0,	k_ub=0.696552476618639,	S_0=2.561;
+	angle:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=47,	theta_0=125.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=48,	theta_0=126,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CL,	angle_type=harmonic,	k_th=52,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=20,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HT,	particle_type2=OT,	particle_type3=HT,	angle_type=harmonic,	k_th=55,	theta_0=104.52,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=OC305A,	angle_type=harmonic,	k_th=70,	theta_0=107.3,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=HCA25A,	angle_type=SongHiLee,	k_th=38.5,	theta_0=106.8,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=35,	theta_0=111.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=HCA25A,	angle_type=SongHiLee,	k_th=38.5,	theta_0=106.8,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=CC325A,	angle_type=SongHiLee,	k_th=35,	theta_0=111.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=NTL,	particle_type2=CTL5,	particle_type3=HL,	angle_type=SongHiLee,	k_th=40,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=67.7,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=HL,	angle_type=SongHiLee,	k_th=40,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=67.7,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL3,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL2,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL1,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CL,	angle_type=harmonic,	k_th=55,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=30,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=112,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC33A,	particle_type2=OC30A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC33A,	particle_type2=OC30A,	particle_type3=CC33A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC32A,	particle_type2=OC30A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=O2L,	particle_type2=SL,	particle_type3=O2L,	angle_type=SongHiLee,	k_th=130,	theta_0=109.47,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=O2L,	particle_type2=SL,	particle_type3=OSL,	angle_type=harmonic,	k_th=85,	theta_0=98,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=O2L,	particle_type2=PL,	particle_type3=O2L,	angle_type=harmonic,	k_th=120,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OHL,	angle_type=harmonic,	k_th=98.9,	theta_0=108.23,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=108.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=55,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=55,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=OBL,	angle_type=SongHiLee,	k_th=90,	theta_0=125.9,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=O2L,	angle_type=harmonic,	k_th=98.9,	theta_0=111.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	angle_type=harmonic,	k_th=80,	theta_0=104.3,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OHL,	angle_type=harmonic,	k_th=48.1,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL5,	particle_type2=NTL,	particle_type3=CTL5,	angle_type=SongHiLee,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL5,	particle_type2=NTL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL2,	angle_type=harmonic,	k_th=42,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=22,	theta_0=117,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL1,	angle_type=harmonic,	k_th=52,	theta_0=119.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=40,	theta_0=116,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=HEL2,	angle_type=harmonic,	k_th=19,	theta_0=119,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=CEL2,	angle_type=harmonic,	k_th=55.5,	theta_0=120.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=CEL1,	angle_type=harmonic,	k_th=45,	theta_0=120.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC30A,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=HCA3,	angle_type=SongHiLee,	k_th=35.5,	theta_0=108.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=37.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CTL3,	particle_type3=HAL3,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CTL1,	particle_type3=HAL1,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=harmonic,	k_th=55,	theta_0=110.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=harmonic,	k_th=55,	theta_0=110.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=OBL,	angle_type=SongHiLee,	k_th=50,	theta_0=123,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=harmonic,	k_th=45,	theta_0=111.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC325B,	particle_type2=OC305A,	particle_type3=CC325B,	angle_type=harmonic,	k_th=95,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=58,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=67.7,	theta_0=110,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=SongHiLee,	k_th=45,	theta_0=107.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HL,	particle_type2=CTL5,	particle_type3=HL,	angle_type=SongHiLee,	k_th=24,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=HL,	angle_type=SongHiLee,	k_th=24,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=48,	theta_0=123.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=48,	theta_0=123.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CEL1,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=32,	theta_0=112.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CEL1,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=32,	theta_0=112.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=53.35,	theta_0=108.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=53.35,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CEL1,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CL,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=OCL,	angle_type=SongHiLee,	k_th=100,	theta_0=124,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=40,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=40,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=37.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CEL1,	angle_type=harmonic,	k_th=42,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=HAL3,	angle_type=SongHiLee,	k_th=35.5,	theta_0=108.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CL,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC30A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=HCA2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=45,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=HCA2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCL,	particle_type2=NH3L,	particle_type3=HCL,	angle_type=harmonic,	k_th=41,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCL,	particle_type2=NH3L,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	angle_type=SongHiLee,	k_th=58,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CL,	angle_type=harmonic,	k_th=52,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=20,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CTL2,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC32A,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=CC32A,	particle_type2=OC30A,	particle_type3=CTL2,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OC30A,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	angle:	particle_type1=OSL,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
+	};
+torsions	{
+	torsion:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CTL3,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
+	torsion:	particle_type1=CTL3,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=HEL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
+	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
+	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
+	torsion:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CTL3,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
+	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
+	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
+	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=OHL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0;
+	torsion:	particle_type1=OHL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0;
+	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0,	k_4=0,	n_4=2,	delta_4=0;
+	torsion:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0,	k_4=0,	n_4=1,	delta_4=0;
+	torsion:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
+	torsion:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=5,	delta_1=0,	k_2=0,	n_2=5,	delta_2=0,	k_3=0,	n_3=5,	delta_3=0,	k_4=0,	n_4=5,	delta_4=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=6,	delta_1=0,	k_2=0,	n_2=6,	delta_2=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC325A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=5,	delta_1=0,	k_2=0,	n_2=5,	delta_2=0,	k_3=0,	n_3=5,	delta_3=0,	k_4=0,	n_4=5,	delta_4=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CEL2,	particle_type3=CEL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL5,	particle_type3=NTL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=CL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=NTL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=NH3L,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CL,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CL,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL1,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=X,	particle_type2=OHL,	particle_type3=PL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC31A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC31A,	particle_type2=CC30A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0,	k_4=0,	n_4=1,	delta_4=0;
+	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=OSL,	particle_type4=SL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CL,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
+	torsion:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
+	torsion:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
+	torsion:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
+	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC31A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC325A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
+	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=HEL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
+	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CTL2,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
+	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
+	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
+	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
+	torsion:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
+	torsion:	particle_type1=CC32A,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CTL2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
+	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OSL,	particle_type4=SL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	torsion:	particle_type1=OSL,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
+	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
+	};
+impropers	{
+	improper:	particle_type1=HEL2,	particle_type2=HEL2,	particle_type3=CEL2,	particle_type4=CEL2,	improper_type=harmonic,	k_psi=3,	psi_0=0;
+	improper:	particle_type1=OCL,	particle_type2=X,	particle_type3=X,	particle_type4=CL,	improper_type=harmonic,	k_psi=96,	psi_0=0;
+	improper:	particle_type1=OBL,	particle_type2=X,	particle_type3=X,	particle_type4=CL,	improper_type=harmonic,	k_psi=100,	psi_0=0;
+	};
+nonbonded_2body_potentials	{
+	lennardjones:	particle_type1=HW,	particle_type2=OW,	r_cut=12.75;
+	lennardjones:	particle_type1=HW,	particle_type2=HW,	r_cut=12.75;
+	lennardjones:	particle_type1=OW,	particle_type2=OW,	r_cut=12.75;
+	lennardjones:	particle_type1=Na,	particle_type2=Na,	r_cut=12.70025;
+	lennardjones:	particle_type1=Na,	particle_type2=Cl,	r_cut=12.70025;
+	lennardjones:	particle_type1=Cl,	particle_type2=Cl,	r_cut=12.70025;
+	ljspline:	particle_type1=CC30A,	particle_type2=CC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC30A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OBL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA25A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NTL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HOL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC326A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC33A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NE,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CLA,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=DUM,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NA,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC32A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=O2L,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC31A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OSL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL5,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=SL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HEL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HE,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OHL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC305A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325B,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=NH3L,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CEL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OCL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=MG,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=OC30A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HAL3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=PL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=PL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=PL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=PL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=PL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=PL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=PL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCA1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=HCL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CC325A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CTL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=POT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=POT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	ljspline:	particle_type1=CL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
+	};
Index: tests/regression/Filling/RegularGrid/pre/tensid.data
===================================================================
--- tests/regression/Filling/RegularGrid/pre/tensid.data	(revision 4a4f3d8ce22775957b51c385fd5f8d8a6fb427cc)
+++ 	(revision )
@@ -1,11060 +1,0 @@
-# ATOMDATA	Id	name	resName	chainID	x=3	type	neighbors=4	charge
-# Box	97.7472	0	0	0	97.6907	0	0	0	97.9688
-1	NA	SLES	1	55.9172	46.6805	92.4618	NA	0	0	0	0	1	
-2	S	SLES	1	54.0205	49.6329	91.4439	SL	3	4	5	6	1.33	
-3	OS1	SLES	1	54.6529	48.5015	90.3822	OSL	2	7	0	0	-0.28	
-4	OS2	SLES	1	53.1431	48.9074	92.3389	O2L	2	0	0	0	-0.65	
-5	OS3	SLES	1	55.1463	50.1654	92.1826	O2L	2	0	0	0	-0.65	
-6	OS4	SLES	1	53.2907	50.7166	90.8054	O2L	2	0	0	0	-0.65	
-7	C2	SLES	1	54.1531	48.7537	89.0012	CC32A	3	8	9	10	-0.11	
-8	H2A	SLES	1	53.0277	48.769	88.9829	HCA2	7	0	0	0	0.09	
-9	H2B	SLES	1	54.5368	49.7548	88.6597	HCA2	7	0	0	0	0.09	
-10	C1	SLES	1	54.6936	47.605	88.0242	CC32A	7	11	12	13	-0.01	
-11	H1B	SLES	1	54.3888	46.605	88.4097	HCA2	10	0	0	0	0.09	
-12	H1A	SLES	1	55.8065	47.6455	87.9702	HCA2	10	0	0	0	0.09	
-13	O1	SLES	1	54.26	47.5663	86.6141	OC30A	10	14	0	0	-0.34	
-14	C2	SLES	1	53.6936	48.7812	86.0794	CC32A	13	15	16	17	-0.01	
-15	H2A	SLES	1	52.8129	48.927	86.7351	HCA2	14	0	0	0	0.09	
-16	H2B	SLES	1	54.4648	49.5404	86.3405	HCA2	14	0	0	0	0.09	
-17	C1	SLES	1	53.2667	48.9589	84.5882	CC32A	14	18	19	20	-0.01	
-18	H1B	SLES	1	52.1992	48.6728	84.467	HCA2	17	0	0	0	0.09	
-19	H1A	SLES	1	53.3845	50.0222	84.2982	HCA2	17	0	0	0	0.09	
-20	O1	SLES	1	53.8589	48.198	83.4869	OC30A	17	21	0	0	-0.34	
-21	C1	SLES	1	53.8861	48.898	82.1894	CTL2	20	22	23	24	-0.18	
-22	H11	SLES	1	53.2646	49.8054	82.2957	HAL2	21	0	0	0	0.09	
-23	H12	SLES	1	54.9516	49.2014	82.1288	HAL2	21	0	0	0	0.09	
-24	C2	SLES	1	53.4742	48.1243	80.8749	CTL2	21	25	26	27	-0.18	
-25	H21	SLES	1	53.1623	47.0901	81.1431	HAL2	24	0	0	0	0.09	
-26	H22	SLES	1	54.3592	48.0523	80.2055	HAL2	24	0	0	0	0.09	
-27	C3	SLES	1	52.2752	48.8454	80.0869	CTL2	24	28	29	30	-0.18	
-28	H31	SLES	1	51.3329	48.2821	80.269	HAL2	27	0	0	0	0.09	
-29	H32	SLES	1	52.1422	49.8692	80.4898	HAL2	27	0	0	0	0.09	
-30	C4	SLES	1	52.5263	48.9359	78.5246	CTL2	27	31	32	33	-0.18	
-31	H41	SLES	1	51.9274	48.1506	78.018	HAL2	30	0	0	0	0.09	
-32	H42	SLES	1	53.5993	48.7366	78.3153	HAL2	30	0	0	0	0.09	
-33	C5	SLES	1	52.1365	50.3604	77.9212	CTL2	30	34	35	36	-0.18	
-34	H51	SLES	1	51.4708	50.8888	78.6389	HAL2	33	0	0	0	0.09	
-35	H52	SLES	1	53.062	50.9688	77.8014	HAL2	33	0	0	0	0.09	
-36	C6	SLES	1	51.4067	50.2583	76.5291	CTL2	33	37	38	39	-0.18	
-37	H61	SLES	1	50.3761	49.8686	76.6874	HAL2	36	0	0	0	0.09	
-38	H62	SLES	1	51.3234	51.2793	76.0883	HAL2	36	0	0	0	0.09	
-39	C7	SLES	1	52.1533	49.3289	75.5207	CTL2	36	40	41	42	-0.18	
-40	H71	SLES	1	51.8951	48.27	75.7438	HAL2	39	0	0	0	0.09	
-41	H72	SLES	1	53.251	49.4508	75.6575	HAL2	39	0	0	0	0.09	
-42	C8	SLES	1	51.7912	49.6352	74.0461	CTL2	39	43	44	45	-0.18	
-43	H81	SLES	1	50.6853	49.7367	73.9562	HAL2	42	0	0	0	0.09	
-44	H82	SLES	1	52.2509	50.6064	73.7527	HAL2	42	0	0	0	0.09	
-45	C9	SLES	1	52.2787	48.5305	73.0753	CTL2	42	46	47	48	-0.18	
-46	H91	SLES	1	51.842	47.5546	73.3872	HAL2	45	0	0	0	0.09	
-47	H92	SLES	1	53.3868	48.449	73.1454	HAL2	45	0	0	0	0.09	
-48	C10	SLES	1	51.8852	48.8123	71.6059	CTL2	45	49	50	51	-0.18	
-49	H10	SLES	1	50.7753	48.8706	71.5314	HAL2	48	0	0	0	0.09	
-50	H10	SLES	1	52.3028	49.7983	71.3003	HAL2	48	0	0	0	0.09	
-51	C11	SLES	1	52.4015	47.7197	70.6325	CTL2	48	52	53	54	-0.18	
-52	H11	SLES	1	51.9757	46.7366	70.9382	HAL2	51	0	0	0	0.09	
-53	H11	SLES	1	53.5097	47.6526	70.7238	HAL2	51	0	0	0	0.09	
-54	C12	SLES	1	52.0372	47.9822	69.1483	CTL3	51	55	56	57	-0.27	
-55	H12	SLES	1	51.4291	47.1425	68.7452	HAL3	54	0	0	0	0.09	
-56	H12	SLES	1	52.9603	48.0775	68.5348	HAL3	54	0	0	0	0.09	
-57	H12	SLES	1	51.4506	48.9218	69.054	HAL3	54	0	0	0	0.09	
-58	NA	SLES	1	47.2817	51.6854	92.9688	NA	0	0	0	0	1	
-59	S	SLES	1	45.6308	54.4703	91.275	SL	60	61	62	63	1.33	
-60	OS1	SLES	1	46.4538	53.2393	90.491	OSL	59	64	0	0	-0.28	
-61	OS2	SLES	1	44.593	53.8332	92.0588	O2L	59	0	0	0	-0.65	
-62	OS3	SLES	1	46.5929	55.1026	92.1532	O2L	59	0	0	0	-0.65	
-63	OS4	SLES	1	45.0435	55.4623	90.3887	O2L	59	0	0	0	-0.65	
-64	C2	SLES	1	46.2338	53.3266	89.0199	CC32A	60	65	66	67	-0.11	
-65	H2A	SLES	1	45.1336	53.319	88.7818	HCA2	64	0	0	0	0.09	
-66	H2B	SLES	1	46.6805	54.2902	88.6484	HCA2	64	0	0	0	0.09	
-67	C1	SLES	1	46.9502	52.0862	88.3025	CC32A	64	68	69	70	-0.01	
-68	H1B	SLES	1	46.5723	51.13	88.7321	HCA2	67	0	0	0	0.09	
-69	H1A	SLES	1	48.0524	52.1409	88.4614	HCA2	67	0	0	0	0.09	
-70	O1	SLES	1	46.7996	51.8825	86.8487	OC30A	67	71	0	0	-0.34	
-71	C2	SLES	1	46.3528	53.0194	86.0804	CC32A	70	72	73	74	-0.01	
-72	H2A	SLES	1	45.3618	53.2212	86.532	HCA2	71	0	0	0	0.09	
-73	H2B	SLES	1	47.0612	53.8171	86.3987	HCA2	71	0	0	0	0.09	
-74	C1	SLES	1	46.2255	53.0217	84.5244	CC32A	71	75	76	77	-0.01	
-75	H1B	SLES	1	45.2011	52.7043	84.2314	HCA2	74	0	0	0	0.09	
-76	H1A	SLES	1	46.4015	54.048	84.1444	HCA2	74	0	0	0	0.09	
-77	O1	SLES	1	47.0182	52.1537	83.6521	OC30A	74	78	0	0	-0.34	
-78	C1	SLES	1	47.3004	52.7049	82.314	CTL2	77	79	80	81	-0.18	
-79	H11	SLES	1	46.6735	53.607	82.1943	HAL2	78	0	0	0	0.09	
-80	H12	SLES	1	48.3585	53.0193	82.4275	HAL2	78	0	0	0	0.09	
-81	C2	SLES	1	47.1498	51.7819	81.0406	CTL2	78	82	83	84	-0.18	
-82	H21	SLES	1	46.7878	50.7785	81.3583	HAL2	81	0	0	0	0.09	
-83	H22	SLES	1	48.1481	51.6521	80.5682	HAL2	81	0	0	0	0.09	
-84	C3	SLES	1	46.1301	52.3884	79.9584	CTL2	81	85	86	87	-0.18	
-85	H31	SLES	1	45.1683	51.8316	80.0166	HAL2	84	0	0	0	0.09	
-86	H32	SLES	1	45.925	53.4481	80.2095	HAL2	84	0	0	0	0.09	
-87	C4	SLES	1	46.6813	52.3086	78.4746	CTL2	84	88	89	90	-0.18	
-88	H41	SLES	1	46.1898	51.4607	77.9534	HAL2	87	0	0	0	0.09	
-89	H42	SLES	1	47.7738	52.107	78.5014	HAL2	87	0	0	0	0.09	
-90	C5	SLES	1	46.4219	53.6494	77.65	CTL2	87	91	92	93	-0.18	
-91	H51	SLES	1	45.631	54.2423	78.1603	HAL2	90	0	0	0	0.09	
-92	H52	SLES	1	47.3552	54.2577	77.644	HAL2	90	0	0	0	0.09	
-93	C6	SLES	1	45.9772	53.3793	76.1632	CTL2	90	94	95	96	-0.18	
-94	H61	SLES	1	44.934	52.9907	76.1616	HAL2	93	0	0	0	0.09	
-95	H62	SLES	1	45.9851	54.3429	75.6022	HAL2	93	0	0	0	0.09	
-96	C7	SLES	1	46.9026	52.357	75.4306	CTL2	93	97	98	99	-0.18	
-97	H71	SLES	1	46.6019	51.325	75.7176	HAL2	96	0	0	0	0.09	
-98	H72	SLES	1	47.953	52.5136	75.7632	HAL2	96	0	0	0	0.09	
-99	C8	SLES	1	46.836	52.4901	73.8888	CTL2	96	100	101	102	-0.18	
-100	H81	SLES	1	45.7693	52.5606	73.5751	HAL2	99	0	0	0	0.09	
-101	H82	SLES	1	47.3477	53.4308	73.5824	HAL2	99	0	0	0	0.09	
-102	C9	SLES	1	47.4993	51.2932	73.1623	CTL2	99	103	104	105	-0.18	
-103	H91	SLES	1	47.0066	50.3503	73.4918	HAL2	102	0	0	0	0.09	
-104	H92	SLES	1	48.5722	51.2405	73.4549	HAL2	102	0	0	0	0.09	
-105	C10	SLES	1	47.4009	51.4019	71.6222	CTL2	102	106	107	108	-0.18	
-106	H10	SLES	1	46.3271	51.4311	71.3276	HAL2	105	0	0	0	0.09	
-107	H10	SLES	1	47.8737	52.3552	71.2941	HAL2	105	0	0	0	0.09	
-108	C11	SLES	1	48.093	50.2172	70.8974	CTL2	105	109	110	111	-0.18	
-109	H11	SLES	1	47.6121	49.2667	71.2238	HAL2	108	0	0	0	0.09	
-110	H11	SLES	1	49.1619	50.1812	71.2091	HAL2	108	0	0	0	0.09	
-111	C12	SLES	1	48.026	50.3057	69.3508	CTL3	108	112	113	114	-0.27	
-112	H12	SLES	1	47.505	49.4153	68.9349	HAL3	111	0	0	0	0.09	
-113	H12	SLES	1	49.0513	50.349	68.9214	HAL3	111	0	0	0	0.09	
-114	H12	SLES	1	47.4725	51.218	69.0388	HAL3	111	0	0	0	0.09	
-115	NA	SLES	1	47.2979	41.7037	92.475	NA	0	0	0	0	1	
-116	S	SLES	1	45.6251	44.7857	91.4486	SL	117	118	119	120	1.33	
-117	OS1	SLES	1	46.4565	43.7683	90.4089	OSL	116	121	0	0	-0.28	
-118	OS2	SLES	1	44.5927	43.9811	92.0684	O2L	116	0	0	0	-0.65	
-119	OS3	SLES	1	46.5833	45.2116	92.4472	O2L	116	0	0	0	-0.65	
-120	OS4	SLES	1	45.0298	45.9471	90.8073	O2L	116	0	0	0	-0.65	
-121	C2	SLES	1	46.2346	44.1822	88.9947	CC32A	117	122	123	124	-0.11	
-122	H2A	SLES	1	45.1343	44.2202	88.7601	HCA2	121	0	0	0	0.09	
-123	H2B	SLES	1	46.6739	45.2079	88.8496	HCA2	121	0	0	0	0.09	
-124	C1	SLES	1	46.9595	43.1399	88.0177	CC32A	121	125	126	127	-0.01	
-125	H1B	SLES	1	46.589	42.1089	88.2212	HCA2	124	0	0	0	0.09	
-126	H1A	SLES	1	48.0614	43.1657	88.1857	HCA2	124	0	0	0	0.09	
-127	O1	SLES	1	46.8092	43.2669	86.5551	OC30A	124	128	0	0	-0.34	
-128	C2	SLES	1	46.3534	44.544	86.0615	CC32A	127	129	130	131	-0.01	
-129	H2A	SLES	1	45.3613	44.6319	86.546	HCA2	128	0	0	0	0.09	
-130	H2B	SLES	1	47.0562	45.255	86.5514	HCA2	128	0	0	0	0.09	
-131	C1	SLES	1	46.2248	44.8949	84.5457	CC32A	128	132	133	134	-0.01	
-132	H1B	SLES	1	45.2025	44.6438	84.188	HCA2	131	0	0	0	0.09	
-133	H1A	SLES	1	46.3929	45.9815	84.4061	HCA2	131	0	0	0	0.09	
-134	O1	SLES	1	47.0232	44.2508	83.5014	OC30A	131	135	0	0	-0.34	
-135	C1	SLES	1	47.3002	45.0906	82.3215	CTL2	134	136	137	138	-0.18	
-136	H11	SLES	1	46.6665	45.9918	82.407	HAL2	135	0	0	0	0.09	
-137	H12	SLES	1	48.356	45.3793	82.5036	HAL2	135	0	0	0	0.09	
-138	C2	SLES	1	47.1553	44.4761	80.8731	CTL2	135	139	140	141	-0.18	
-139	H21	SLES	1	46.801	43.4244	80.9571	HAL2	138	0	0	0	0.09	
-140	H22	SLES	1	48.1541	44.4631	80.3845	HAL2	138	0	0	0	0.09	
-141	C3	SLES	1	46.1302	45.3027	79.954	CTL2	138	142	143	144	-0.18	
-142	H31	SLES	1	45.1727	44.74	79.8849	HAL2	141	0	0	0	0.09	
-143	H32	SLES	1	45.9175	46.2774	80.4366	HAL2	141	0	0	0	0.09	
-144	C4	SLES	1	46.6808	45.5623	78.4907	CTL2	141	145	146	147	-0.18	
-145	H41	SLES	1	46.1951	44.8496	77.7919	HAL2	144	0	0	0	0.09	
-146	H42	SLES	1	47.7748	45.3678	78.4724	HAL2	144	0	0	0	0.09	
-147	C5	SLES	1	46.4109	47.0522	77.9881	CTL2	144	148	149	150	-0.18	
-148	H51	SLES	1	45.6161	47.5093	78.6179	HAL2	147	0	0	0	0.09	
-149	H52	SLES	1	47.3397	47.653	78.1197	HAL2	147	0	0	0	0.09	
-150	C6	SLES	1	45.9668	47.1196	76.4783	CTL2	147	151	152	153	-0.18	
-151	H61	SLES	1	44.9266	46.7337	76.3885	HAL2	150	0	0	0	0.09	
-152	H62	SLES	1	45.9672	48.1847	76.148	HAL2	150	0	0	0	0.09	
-153	C7	SLES	1	46.8992	46.2948	75.5356	CTL2	150	154	155	156	-0.18	
-154	H71	SLES	1	46.6063	45.2226	75.5831	HAL2	153	0	0	0	0.09	
-155	H72	SLES	1	47.9486	46.3805	75.8957	HAL2	153	0	0	0	0.09	
-156	C8	SLES	1	46.8303	46.7704	74.063	CTL2	153	157	158	159	-0.18	
-157	H81	SLES	1	45.7628	46.9017	73.7722	HAL2	156	0	0	0	0.09	
-158	H82	SLES	1	47.3348	47.7596	73.9761	HAL2	156	0	0	0	0.09	
-159	C9	SLES	1	47.5018	45.7722	73.0867	CTL2	156	160	161	162	-0.18	
-160	H91	SLES	1	47.0163	44.7757	73.1956	HAL2	159	0	0	0	0.09	
-161	H92	SLES	1	48.5753	45.663	73.3609	HAL2	159	0	0	0	0.09	
-162	C10	SLES	1	47.4013	46.2234	71.6103	CTL2	159	163	164	165	-0.18	
-163	H10	SLES	1	46.327	46.3101	71.3289	HAL2	162	0	0	0	0.09	
-164	H10	SLES	1	47.8668	47.2294	71.5051	HAL2	162	0	0	0	0.09	
-165	C11	SLES	1	48.1015	45.2368	70.6385	CTL2	162	166	167	168	-0.18	
-166	H11	SLES	1	47.6279	44.2338	70.7426	HAL2	165	0	0	0	0.09	
-167	H11	SLES	1	49.1709	45.1396	70.935	HAL2	165	0	0	0	0.09	
-168	C12	SLES	1	48.0326	45.67	69.1512	CTL3	165	169	170	171	-0.27	
-169	H12	SLES	1	47.5178	44.8919	68.5455	HAL3	168	0	0	0	0.09	
-170	H12	SLES	1	49.0572	45.8162	68.7434	HAL3	168	0	0	0	0.09	
-171	H12	SLES	1	47.4721	46.625	69.0517	HAL3	168	0	0	0	0.09	
-172	NA	SLES	1	66.9497	46.6805	89.1467	NA	0	0	0	0	1	
-173	S	SLES	1	64.8542	49.6329	88.6543	SL	174	175	176	177	1.33	
-174	OS1	SLES	1	65.1902	48.5015	87.4651	OSL	173	178	0	0	-0.28	
-175	OS2	SLES	1	64.2382	48.9074	89.746	O2L	173	0	0	0	-0.65	
-176	OS3	SLES	1	66.1327	50.1654	89.0765	O2L	173	0	0	0	-0.65	
-177	OS4	SLES	1	63.9839	50.7166	88.2265	O2L	173	0	0	0	-0.65	
-178	C2	SLES	1	64.35	48.7537	86.2606	CC32A	174	179	180	181	-0.11	
-179	H2A	SLES	1	63.2582	48.769	86.5342	HCA2	178	0	0	0	0.09	
-180	H2B	SLES	1	64.6323	49.7548	85.8314	HCA2	178	0	0	0	0.09	
-181	C1	SLES	1	64.6192	47.605	85.1769	CC32A	178	182	183	184	-0.01	
-182	H1B	SLES	1	64.4246	46.605	85.6283	HCA2	181	0	0	0	0.09	
-183	H1A	SLES	1	65.6802	47.6455	84.8367	HCA2	181	0	0	0	0.09	
-184	O1	SLES	1	63.8354	47.5663	83.9271	OC30A	181	185	0	0	-0.34	
-185	C2	SLES	1	63.1499	48.7812	83.5572	CC32A	184	186	187	188	-0.01	
-186	H2A	SLES	1	62.469	48.927	84.4186	HCA2	185	0	0	0	0.09	
-187	H2B	SLES	1	63.9625	49.5404	83.6098	HCA2	185	0	0	0	0.09	
-188	C1	SLES	1	62.3517	48.9589	82.2274	CC32A	185	189	190	191	-0.01	
-189	H1B	SLES	1	61.2892	48.6728	82.3866	HCA2	188	0	0	0	0.09	
-190	H1A	SLES	1	62.3904	50.0222	81.9167	HCA2	188	0	0	0	0.09	
-191	O1	SLES	1	62.6386	48.198	81.0103	OC30A	188	192	0	0	-0.34	
-192	C1	SLES	1	62.3291	48.898	79.75	CTL2	191	193	194	195	-0.18	
-193	H11	SLES	1	61.7562	49.8054	80.0135	HAL2	192	0	0	0	0.09	
-194	H12	SLES	1	63.3426	49.2014	79.4157	HAL2	192	0	0	0	0.09	
-195	C2	SLES	1	61.5909	48.1243	78.5869	CTL2	192	196	197	198	-0.18	
-196	H21	SLES	1	61.3592	47.0901	78.9267	HAL2	195	0	0	0	0.09	
-197	H22	SLES	1	62.2726	48.0523	77.7112	HAL2	195	0	0	0	0.09	
-198	C3	SLES	1	60.2288	48.8454	78.136	CTL2	195	199	200	201	-0.18	
-199	H31	SLES	1	59.3658	48.2821	78.5558	HAL2	198	0	0	0	0.09	
-200	H32	SLES	1	60.2047	49.8692	78.5596	HAL2	198	0	0	0	0.09	
-201	C4	SLES	1	60.0671	48.9359	76.562	CTL2	198	202	203	204	-0.18	
-202	H41	SLES	1	59.3575	48.1506	76.2276	HAL2	201	0	0	0	0.09	
-203	H42	SLES	1	61.0494	48.7366	76.0821	HAL2	201	0	0	0	0.09	
-204	C5	SLES	1	59.5344	50.3604	76.0801	CTL2	201	205	206	207	-0.18	
-205	H51	SLES	1	59.0771	50.8888	76.9455	HAL2	204	0	0	0	0.09	
-206	H52	SLES	1	60.3973	50.9688	75.7248	HAL2	204	0	0	0	0.09	
-207	C6	SLES	1	58.4692	50.2583	74.9242	CTL2	204	208	209	210	-0.18	
-208	H61	SLES	1	57.5147	49.8686	75.3439	HAL2	207	0	0	0	0.09	
-209	H62	SLES	1	58.2746	51.2793	74.5201	HAL2	207	0	0	0	0.09	
-210	C7	SLES	1	58.9294	49.3289	73.757	CTL2	207	211	212	213	-0.18	
-211	H71	SLES	1	58.7376	48.27	74.0393	HAL2	210	0	0	0	0.09	
-212	H72	SLES	1	60.025	49.4508	73.605	HAL2	210	0	0	0	0.09	
-213	C8	SLES	1	58.1979	49.6352	72.4264	CTL2	210	214	215	216	-0.18	
-214	H81	SLES	1	57.1065	49.7367	72.6257	HAL2	213	0	0	0	0.09	
-215	H82	SLES	1	58.5661	50.6064	72.024	HAL2	213	0	0	0	0.09	
-216	C9	SLES	1	58.4175	48.5305	71.3624	CTL2	213	217	218	219	-0.18	
-217	H91	SLES	1	58.0765	47.5546	71.7767	HAL2	216	0	0	0	0.09	
-218	H92	SLES	1	59.506	48.449	71.1433	HAL2	216	0	0	0	0.09	
-219	C10	SLES	1	57.6572	48.8123	70.0449	CTL2	216	220	221	222	-0.18	
-220	H10	SLES	1	56.5658	48.8706	70.2602	HAL2	219	0	0	0	0.09	
-221	H10	SLES	1	57.9815	49.7983	69.6417	HAL2	219	0	0	0	0.09	
-222	C11	SLES	1	57.9039	47.7197	68.9711	CTL2	219	223	224	225	-0.18	
-223	H11	SLES	1	57.5717	46.7366	69.3766	HAL2	222	0	0	0	0.09	
-224	H11	SLES	1	58.998	47.6526	68.7724	HAL2	222	0	0	0	0.09	
-225	C12	SLES	1	57.1679	47.9822	67.6318	CTL3	222	226	227	228	-0.27	
-226	H12	SLES	1	56.4761	47.1425	67.3998	HAL3	225	0	0	0	0.09	
-227	H12	SLES	1	57.9007	48.0775	66.8003	HAL3	225	0	0	0	0.09	
-228	H12	SLES	1	56.5768	48.9218	67.6925	HAL3	225	0	0	0	0.09	
-229	NA	SLES	1	63.84	56.6114	89.7351	NA	0	0	0	0	1	
-230	S	SLES	1	61.6835	59.2667	88.4509	SL	231	232	233	234	1.33	
-231	OS1	SLES	1	62.1515	57.9191	87.5722	OSL	230	235	0	0	-0.28	
-232	OS2	SLES	1	61.0114	58.7698	89.6336	O2L	230	0	0	0	-0.65	
-233	OS3	SLES	1	62.9053	59.9461	88.8279	O2L	230	0	0	0	-0.65	
-234	OS4	SLES	1	60.8104	60.1812	87.7326	O2L	230	0	0	0	-0.65	
-235	C2	SLES	1	61.3987	57.8535	86.2879	CC32A	231	236	237	238	-0.11	
-236	H2A	SLES	1	60.2891	57.8715	86.4766	HCA2	235	0	0	0	0.09	
-237	H2B	SLES	1	61.677	58.7479	85.6645	HCA2	235	0	0	0	0.09	
-238	C1	SLES	1	61.7926	56.5089	85.5111	CC32A	235	239	240	241	-0.01	
-239	H1B	SLES	1	61.5999	55.625	86.1616	HCA2	238	0	0	0	0.09	
-240	H1A	SLES	1	62.8747	56.5288	85.2429	HCA2	238	0	0	0	0.09	
-241	O1	SLES	1	61.11	56.153	84.252	OC30A	238	242	0	0	-0.34	
-242	C2	SLES	1	60.4118	57.2178	83.5729	CC32A	241	243	244	245	-0.01	
-243	H2A	SLES	1	59.6613	57.5149	84.3314	HCA2	242	0	0	0	0.09	
-244	H2B	SLES	1	61.1898	58.0115	83.5081	HCA2	242	0	0	0	0.09	
-245	C1	SLES	1	59.7132	57.0541	82.1864	CC32A	242	246	247	248	-0.01	
-246	H1B	SLES	1	58.6526	56.7549	82.3337	HCA2	245	0	0	0	0.09	
-247	H1A	SLES	1	59.7374	58.0226	81.6478	HCA2	245	0	0	0	0.09	
-248	O1	SLES	1	60.1211	56.0585	81.1938	OC30A	245	249	0	0	-0.34	
-249	C1	SLES	1	59.8851	56.4444	79.7905	CTL2	248	250	251	252	-0.18	
-250	H11	SLES	1	59.2611	57.3562	79.8038	HAL2	249	0	0	0	0.09	
-251	H12	SLES	1	60.9099	56.7191	79.4656	HAL2	249	0	0	0	0.09	
-252	C2	SLES	1	59.268	55.3943	78.784	CTL2	249	253	254	255	-0.18	
-253	H21	SLES	1	59.0481	54.4505	79.3313	HAL2	252	0	0	0	0.09	
-254	H22	SLES	1	60.0176	55.1661	77.9951	HAL2	252	0	0	0	0.09	
-255	C3	SLES	1	57.9197	55.9249	78.0917	CTL2	252	256	257	258	-0.18	
-256	H31	SLES	1	57.0477	55.424	78.5681	HAL2	255	0	0	0	0.09	
-257	H32	SLES	1	57.8258	57.0144	78.2715	HAL2	255	0	0	0	0.09	
-258	C4	SLES	1	57.8774	55.6556	76.5303	CTL2	255	259	260	261	-0.18	
-259	H41	SLES	1	57.2248	54.7794	76.3341	HAL2	258	0	0	0	0.09	
-260	H42	SLES	1	58.9006	55.4068	76.175	HAL2	258	0	0	0	0.09	
-261	C5	SLES	1	57.3326	56.9078	75.7055	CTL2	258	262	263	264	-0.18	
-262	H51	SLES	1	56.7906	57.59	76.397	HAL2	261	0	0	0	0.09	
-263	H52	SLES	1	58.1978	57.4669	75.2816	HAL2	261	0	0	0	0.09	
-264	C6	SLES	1	56.3646	56.4961	74.533	CTL2	261	265	266	267	-0.18	
-265	H61	SLES	1	55.3951	56.1595	74.9642	HAL2	264	0	0	0	0.09	
-266	H62	SLES	1	56.1651	57.3904	73.8974	HAL2	264	0	0	0	0.09	
-267	C7	SLES	1	56.9473	55.3566	73.6386	CTL2	264	268	269	270	-0.18	
-268	H71	SLES	1	56.7727	54.378	74.1383	HAL2	267	0	0	0	0.09	
-269	H72	SLES	1	58.0463	55.4993	73.5374	HAL2	267	0	0	0	0.09	
-270	C8	SLES	1	56.3107	55.3214	72.2269	CTL2	267	271	272	273	-0.18	
-271	H81	SLES	1	55.2041	55.407	72.3241	HAL2	270	0	0	0	0.09	
-272	H82	SLES	1	56.6735	56.1972	71.6421	HAL2	270	0	0	0	0.09	
-273	C9	SLES	1	56.652	54.0215	71.456	CTL2	270	274	275	276	-0.18	
-274	H91	SLES	1	56.3154	53.1451	72.0552	HAL2	273	0	0	0	0.09	
-275	H92	SLES	1	57.7564	53.9509	71.3349	HAL2	273	0	0	0	0.09	
-276	C10	SLES	1	55.9865	53.9638	70.0606	CTL2	273	277	278	279	-0.18	
-277	H10	SLES	1	54.8803	54.0109	70.1831	HAL2	276	0	0	0	0.09	
-278	H10	SLES	1	56.3052	54.8516	69.4688	HAL2	276	0	0	0	0.09	
-279	C11	SLES	1	56.3552	52.6749	69.2793	CTL2	276	280	281	282	-0.18	
-280	H11	SLES	1	56.0283	51.79	69.8721	HAL2	279	0	0	0	0.09	
-281	H11	SLES	1	57.4631	52.6231	69.1751	HAL2	279	0	0	0	0.09	
-282	C12	SLES	1	55.7163	52.5948	67.8687	CTL3	279	283	284	285	-0.27	
-283	H12	SLES	1	55.0755	51.6895	67.7853	HAL3	282	0	0	0	0.09	
-284	H12	SLES	1	56.5075	52.5419	67.0885	HAL3	282	0	0	0	0.09	
-285	H12	SLES	1	55.0887	53.4921	67.6764	HAL3	282	0	0	0	0.09	
-286	NA	SLES	1	55.4266	62.8546	90.2929	NA	0	0	0	0	1	
-287	S	SLES	1	53.477	65.1854	88.2639	SL	288	289	290	291	1.33	
-288	OS1	SLES	1	54.1476	63.7616	87.6889	OSL	287	292	0	0	-0.28	
-289	OS2	SLES	1	52.605	64.8131	89.3587	O2L	287	0	0	0	-0.65	
-290	OS3	SLES	1	54.5813	65.9784	88.762	O2L	287	0	0	0	-0.65	
-291	OS4	SLES	1	52.731	65.9437	87.2724	O2L	287	0	0	0	-0.65	
-292	C2	SLES	1	53.6593	63.4815	86.3093	CC32A	288	293	294	295	-0.11	
-293	H2A	SLES	1	52.5341	63.4606	86.2828	HCA2	292	0	0	0	0.09	
-294	H2B	SLES	1	54.0248	64.2991	85.6281	HCA2	292	0	0	0	0.09	
-295	C1	SLES	1	54.2374	62.0701	85.8191	CC32A	292	296	297	298	-0.01	
-296	H1B	SLES	1	53.9503	61.2715	86.5411	HCA2	295	0	0	0	0.09	
-297	H1A	SLES	1	55.3497	62.1164	85.7578	HCA2	295	0	0	0	0.09	
-298	O1	SLES	1	53.8221	61.5102	84.5183	OC30A	295	299	0	0	-0.34	
-299	C2	SLES	1	53.2354	62.4326	83.5763	CC32A	298	300	301	302	-0.01	
-300	H2A	SLES	1	52.3437	62.7846	84.131	HCA2	299	0	0	0	0.09	
-301	H2B	SLES	1	53.9862	63.254	83.5457	HCA2	299	0	0	0	0.09	
-302	C1	SLES	1	52.8231	62.0448	82.1213	CC32A	299	303	304	305	-0.01	
-303	H1B	SLES	1	51.7638	61.7073	82.1089	HCA2	302	0	0	0	0.09	
-304	H1A	SLES	1	52.9206	62.9324	81.4645	HCA2	302	0	0	0	0.09	
-305	O1	SLES	1	53.4457	60.9507	81.3744	OC30A	302	306	0	0	-0.34	
-306	C1	SLES	1	53.4732	61.1312	79.9113	CTL2	305	307	308	309	-0.18	
-307	H11	SLES	1	52.8303	61.9991	79.6779	HAL2	306	0	0	0	0.09	
-308	H12	SLES	1	54.5324	61.4187	79.7479	HAL2	306	0	0	0	0.09	
-309	C2	SLES	1	53.0949	59.9221	78.9671	CTL2	306	310	311	312	-0.18	
-310	H21	SLES	1	52.803	59.0488	79.5923	HAL2	309	0	0	0	0.09	
-311	H22	SLES	1	53.9895	59.6341	78.3728	HAL2	309	0	0	0	0.09	
-312	C3	SLES	1	51.8899	60.2766	77.9667	CTL2	309	313	314	315	-0.18	
-313	H31	SLES	1	50.9583	59.7944	78.3381	HAL2	312	0	0	0	0.09	
-314	H32	SLES	1	51.7291	61.3732	77.9689	HAL2	312	0	0	0	0.09	
-315	C4	SLES	1	52.1582	59.799	76.4794	CTL2	312	316	317	318	-0.18	
-316	H41	SLES	1	51.5833	58.8682	76.2914	HAL2	315	0	0	0	0.09	
-317	H42	SLES	1	53.2379	59.5644	76.3606	HAL2	315	0	0	0	0.09	
-318	C5	SLES	1	51.7441	60.896	75.3977	CTL2	315	319	320	321	-0.18	
-319	H51	SLES	1	51.0579	61.6322	75.8716	HAL2	318	0	0	0	0.09	
-320	H52	SLES	1	52.6571	61.4424	75.0677	HAL2	318	0	0	0	0.09	
-321	C6	SLES	1	51.034	60.2761	74.1357	CTL2	318	322	323	324	-0.18	
-322	H61	SLES	1	50.0105	59.9447	74.4216	HAL2	321	0	0	0	0.09	
-323	H62	SLES	1	50.9333	61.0643	73.3534	HAL2	321	0	0	0	0.09	
-324	C7	SLES	1	51.8136	59.0628	73.5373	CTL2	321	325	326	327	-0.18	
-325	H71	SLES	1	51.5764	58.1514	74.1296	HAL2	324	0	0	0	0.09	
-326	H72	SLES	1	52.9065	59.2538	73.624	HAL2	324	0	0	0	0.09	
-327	C8	SLES	1	51.4629	58.8024	72.0512	CTL2	324	328	329	330	-0.18	
-328	H81	SLES	1	50.3562	58.8362	71.9268	HAL2	327	0	0	0	0.09	
-329	H82	SLES	1	51.9044	59.6116	71.4259	HAL2	327	0	0	0	0.09	
-330	C9	SLES	1	51.9869	57.433	71.5506	CTL2	327	331	332	333	-0.18	
-331	H91	SLES	1	51.5684	56.6266	72.1948	HAL2	330	0	0	0	0.09	
-332	H92	SLES	1	53.0956	57.4107	71.6492	HAL2	330	0	0	0	0.09	
-333	C10	SLES	1	51.6054	57.1509	70.0781	CTL2	330	334	335	336	-0.18	
-334	H10	SLES	1	50.4955	57.15	69.9838	HAL2	333	0	0	0	0.09	
-335	H10	SLES	1	52.0046	57.9684	69.436	HAL2	333	0	0	0	0.09	
-336	C11	SLES	1	52.158	55.7925	69.5709	CTL2	333	337	338	339	-0.18	
-337	H11	SLES	1	51.7505	54.9775	70.212	HAL2	336	0	0	0	0.09	
-338	H11	SLES	1	53.2662	55.7913	69.684	HAL2	336	0	0	0	0.09	
-339	C12	SLES	1	51.8062	55.4878	68.0917	CTL3	336	340	341	342	-0.27	
-340	H12	SLES	1	51.222	54.544	68.0198	HAL3	339	0	0	0	0.09	
-341	H12	SLES	1	52.7344	55.3768	67.4887	HAL3	339	0	0	0	0.09	
-342	H12	SLES	1	51.1999	56.3136	67.66	HAL3	339	0	0	0	0.09	
-343	NA	SLES	1	44.8967	62.914	90.6071	NA	0	0	0	0	1	
-344	S	SLES	1	43.3765	65.1666	88.1647	SL	345	346	347	348	1.33	
-345	OS1	SLES	1	44.2259	63.7771	87.7708	OSL	344	349	0	0	-0.28	
-346	OS2	SLES	1	42.2893	64.7502	89.0261	O2L	344	0	0	0	-0.65	
-347	OS3	SLES	1	44.2967	66.0053	88.904	O2L	344	0	0	0	-0.65	
-348	OS4	SLES	1	42.8513	65.8963	87.0218	O2L	344	0	0	0	-0.65	
-349	C2	SLES	1	44.0881	63.4829	86.3166	CC32A	345	350	351	352	-0.11	
-350	H2A	SLES	1	43.0027	63.4121	86.0268	HCA2	349	0	0	0	0.09	
-351	H2B	SLES	1	44.5666	64.3195	85.736	HCA2	349	0	0	0	0.09	
-352	C1	SLES	1	44.8273	62.1012	85.9833	CC32A	349	353	354	355	-0.01	
-353	H1B	SLES	1	44.4144	61.2868	86.622	HCA2	352	0	0	0	0.09	
-354	H1A	SLES	1	45.9197	62.1972	86.1847	HCA2	352	0	0	0	0.09	
-355	O1	SLES	1	44.7543	61.5303	84.6244	OC30A	352	356	0	0	-0.34	
-356	C2	SLES	1	44.3648	62.4307	83.566	CC32A	355	357	358	359	-0.01	
-357	H2A	SLES	1	43.353	62.7398	83.8941	HCA2	356	0	0	0	0.09	
-358	H2B	SLES	1	45.0645	63.2848	83.7083	HCA2	356	0	0	0	0.09	
-359	C1	SLES	1	44.3232	62.0327	82.057	CC32A	356	360	361	362	-0.01	
-360	H1B	SLES	1	43.3126	61.6485	81.7981	HCA2	359	0	0	0	0.09	
-361	H1A	SLES	1	44.5327	62.9272	81.4368	HCA2	359	0	0	0	0.09	
-362	O1	SLES	1	45.1518	60.9712	81.483	OC30A	359	363	0	0	-0.34	
-363	C1	SLES	1	45.514	61.1605	80.0663	CTL2	362	364	365	366	-0.18	
-364	H11	SLES	1	44.906	62.0002	79.6839	HAL2	363	0	0	0	0.09	
-365	H12	SLES	1	46.5681	61.4957	80.1547	HAL2	363	0	0	0	0.09	
-366	C2	SLES	1	45.4221	59.9409	79.0661	CTL2	363	367	368	369	-0.18	
-367	H21	SLES	1	45.0307	59.0522	79.6099	HAL2	366	0	0	0	0.09	
-368	H22	SLES	1	46.4431	59.696	78.7	HAL2	366	0	0	0	0.09	
-369	C3	SLES	1	44.4711	60.2468	77.8089	CTL2	366	370	371	372	-0.18	
-370	H31	SLES	1	43.5007	59.7217	77.9537	HAL2	369	0	0	0	0.09	
-371	H32	SLES	1	44.2658	61.335	77.7674	HAL2	369	0	0	0	0.09	
-372	C4	SLES	1	45.102	59.7894	76.4287	CTL2	369	373	374	375	-0.18	
-373	H41	SLES	1	44.6293	58.835	76.1159	HAL2	372	0	0	0	0.09	
-374	H42	SLES	1	46.1888	59.6036	76.568	HAL2	372	0	0	0	0.09	
-375	C5	SLES	1	44.9052	60.8727	75.2742	CTL2	372	376	377	378	-0.18	
-376	H51	SLES	1	44.095	61.5751	75.5698	HAL2	375	0	0	0	0.09	
-377	H52	SLES	1	45.845	61.4608	75.165	HAL2	375	0	0	0	0.09	
-378	C6	SLES	1	44.5395	60.2285	73.8841	CTL2	375	379	380	381	-0.18	
-379	H61	SLES	1	43.4933	59.8505	73.9234	HAL2	378	0	0	0	0.09	
-380	H62	SLES	1	44.5904	61.0156	73.0958	HAL2	378	0	0	0	0.09	
-381	C7	SLES	1	45.4909	59.0542	73.4919	CTL2	378	382	383	384	-0.18	
-382	H71	SLES	1	45.162	58.13	74.0168	HAL2	381	0	0	0	0.09	
-383	H72	SLES	1	46.5233	59.2931	73.8317	HAL2	381	0	0	0	0.09	
-384	C8	SLES	1	45.5109	58.7864	71.9663	CTL2	381	385	386	387	-0.18	
-385	H81	SLES	1	44.464	58.7717	71.5854	HAL2	384	0	0	0	0.09	
-386	H82	SLES	1	46.0505	59.6177	71.458	HAL2	384	0	0	0	0.09	
-387	C9	SLES	1	46.1981	57.4442	71.6101	CTL2	384	388	389	390	-0.18	
-388	H91	SLES	1	45.6763	56.6167	72.1423	HAL2	387	0	0	0	0.09	
-389	H92	SLES	1	47.2525	57.4707	71.9664	HAL2	387	0	0	0	0.09	
-390	C10	SLES	1	46.1859	57.1533	70.0907	CTL2	387	391	392	393	-0.18	
-391	H10	SLES	1	45.1303	57.1036	69.7384	HAL2	390	0	0	0	0.09	
-392	H10	SLES	1	46.688	57.9911	69.5559	HAL2	390	0	0	0	0.09	
-393	C11	SLES	1	46.9019	55.8235	69.7346	CTL2	390	394	395	396	-0.18	
-394	H11	SLES	1	46.3919	54.9878	70.2664	HAL2	393	0	0	0	0.09	
-395	H11	SLES	1	47.9515	55.8709	70.1047	HAL2	393	0	0	0	0.09	
-396	C12	SLES	1	46.9212	55.5113	68.2158	CTL3	393	397	398	399	-0.27	
-397	H12	SLES	1	46.4127	54.5428	68.0138	HAL3	396	0	0	0	0.09	
-398	H12	SLES	1	47.969	55.4448	67.8482	HAL3	396	0	0	0	0.09	
-399	H12	SLES	1	46.3971	56.3116	67.6494	HAL3	396	0	0	0	0.09	
-400	NA	SLES	1	36.3703	56.7076	90.5576	NA	0	0	0	0	1	
-401	S	SLES	1	35.2057	59.2364	88.1913	SL	402	403	404	405	1.33	
-402	OS1	SLES	1	36.1925	57.9442	87.7866	OSL	401	406	0	0	-0.28	
-403	OS2	SLES	1	34.0025	58.668	88.763	O2L	401	0	0	0	-0.65	
-404	OS3	SLES	1	35.9216	59.9896	89.1997	O2L	401	0	0	0	-0.65	
-405	OS4	SLES	1	34.862	60.1045	87.0765	O2L	401	0	0	0	-0.65	
-406	C2	SLES	1	36.3461	57.8557	86.3071	CC32A	402	407	408	409	-0.11	
-407	H2A	SLES	1	35.3398	57.7932	85.8064	HCA2	406	0	0	0	0.09	
-408	H2B	SLES	1	36.8755	58.7809	85.9469	HCA2	406	0	0	0	0.09	
-409	C1	SLES	1	37.213	56.5592	85.9411	CC32A	406	410	411	412	-0.01	
-410	H1B	SLES	1	36.7357	55.6498	86.3733	HCA2	409	0	0	0	0.09	
-411	H1A	SLES	1	38.2411	56.6595	86.3605	HCA2	409	0	0	0	0.09	
-412	O1	SLES	1	37.4283	56.1855	84.5297	OC30A	409	413	0	0	-0.34	
-413	C2	SLES	1	37.192	57.2147	83.5461	CC32A	412	414	415	416	-0.01	
-414	H2A	SLES	1	36.1207	57.4423	83.711	HCA2	413	0	0	0	0.09	
-415	H2B	SLES	1	37.8024	58.0613	83.9338	HCA2	413	0	0	0	0.09	
-416	C1	SLES	1	37.4562	57.0344	82.0181	CC32A	413	417	418	419	-0.01	
-417	H1B	SLES	1	36.5356	56.6597	81.5199	HCA2	416	0	0	0	0.09	
-418	H1A	SLES	1	37.7259	58.0141	81.5753	HCA2	416	0	0	0	0.09	
-419	O1	SLES	1	38.4373	56.0917	81.4781	OC30A	416	420	0	0	-0.34	
-420	C1	SLES	1	39.0463	56.4918	80.1963	CTL2	419	421	422	423	-0.18	
-421	H11	SLES	1	38.473	57.3581	79.8195	HAL2	420	0	0	0	0.09	
-422	H12	SLES	1	40.0441	56.8436	80.5305	HAL2	420	0	0	0	0.09	
-423	C2	SLES	1	39.2134	55.4247	79.0432	CTL2	420	424	425	426	-0.18	
-424	H21	SLES	1	38.7792	54.4559	79.3774	HAL2	423	0	0	0	0.09	
-425	H22	SLES	1	40.2973	55.2663	78.8517	HAL2	423	0	0	0	0.09	
-426	C3	SLES	1	38.498	55.8766	77.6785	CTL2	423	427	428	429	-0.18	
-427	H31	SLES	1	37.5496	55.3063	77.5617	HAL2	426	0	0	0	0.09	
-428	H32	SLES	1	38.2416	56.9528	77.7441	HAL2	426	0	0	0	0.09	
-429	C4	SLES	1	39.401	55.6401	76.3976	CTL2	426	430	431	432	-0.18	
-430	H41	SLES	1	39.051	54.7257	75.8746	HAL2	429	0	0	0	0.09	
-431	H42	SLES	1	40.4515	55.4703	76.7179	HAL2	429	0	0	0	0.09	
-432	C5	SLES	1	39.3612	56.87	75.3823	CTL2	429	433	434	435	-0.18	
-433	H51	SLES	1	38.4708	57.4977	75.6071	HAL2	432	0	0	0	0.09	
-434	H52	SLES	1	40.2693	57.4966	75.5361	HAL2	432	0	0	0	0.09	
-435	C6	SLES	1	39.2995	56.4191	73.8742	CTL2	432	436	437	438	-0.18	
-436	H61	SLES	1	38.2879	56.007	73.6599	HAL2	435	0	0	0	0.09	
-437	H62	SLES	1	39.4512	57.3115	73.2231	HAL2	435	0	0	0	0.09	
-438	C7	SLES	1	40.3736	55.3427	73.5196	CTL2	435	439	440	441	-0.18	
-439	H71	SLES	1	40.0062	54.3435	73.8427	HAL2	438	0	0	0	0.09	
-440	H72	SLES	1	41.3087	55.5629	74.0812	HAL2	438	0	0	0	0.09	
-441	C8	SLES	1	40.6937	55.2954	72.0048	CTL2	438	442	443	444	-0.18	
-442	H81	SLES	1	39.739	55.3025	71.4304	HAL2	441	0	0	0	0.09	
-443	H82	SLES	1	41.2698	56.207	71.726	HAL2	441	0	0	0	0.09	
-444	C9	SLES	1	41.5116	54.0397	71.6117	CTL2	441	445	446	447	-0.18	
-445	H91	SLES	1	40.9482	53.129	71.9176	HAL2	444	0	0	0	0.09	
-446	H92	SLES	1	42.4776	54.048	72.1651	HAL2	444	0	0	0	0.09	
-447	C10	SLES	1	41.8003	53.9676	70.0935	CTL2	444	448	449	450	-0.18	
-448	H10	SLES	1	40.8338	53.9358	69.5407	HAL2	447	0	0	0	0.09	
-449	H10	SLES	1	42.3442	54.8883	69.7827	HAL2	447	0	0	0	0.09	
-450	C11	SLES	1	42.6458	52.725	69.7078	CTL2	447	451	452	453	-0.18	
-451	H11	SLES	1	42.0945	51.8067	70.0145	HAL2	450	0	0	0	0.09	
-452	H11	SLES	1	43.6032	52.7519	70.2766	HAL2	450	0	0	0	0.09	
-453	C12	SLES	1	42.9665	52.6328	68.1935	CTL3	450	454	455	456	-0.27	
-454	H12	SLES	1	42.5615	51.6876	67.7694	HAL3	453	0	0	0	0.09	
-455	H12	SLES	1	44.0666	52.652	68.0295	HAL3	453	0	0	0	0.09	
-456	H12	SLES	1	42.5122	53.4889	67.6487	HAL3	453	0	0	0	0.09	
-457	NA	SLES	1	33.1907	46.6805	90.1634	NA	0	0	0	0	1	
-458	S	SLES	1	32.0571	49.6329	88.3334	SL	459	460	461	462	1.33	
-459	OS1	SLES	1	33.1356	48.5015	87.7302	OSL	458	463	0	0	-0.28	
-460	OS2	SLES	1	30.8496	48.9074	88.6698	O2L	458	0	0	0	-0.65	
-461	OS3	SLES	1	32.6626	50.1654	89.5361	O2L	458	0	0	0	-0.65	
-462	OS4	SLES	1	31.7442	50.7166	87.4156	O2L	458	0	0	0	-0.65	
-463	C2	SLES	1	33.3932	48.7537	86.2843	CC32A	459	464	465	466	-0.11	
-464	H2A	SLES	1	32.4277	48.769	85.7057	HCA2	463	0	0	0	0.09	
-465	H2B	SLES	1	33.8963	49.7548	86.1804	HCA2	463	0	0	0	0.09	
-466	C1	SLES	1	34.3499	47.605	85.7084	CC32A	463	467	468	469	-0.01	
-467	H1B	SLES	1	33.8931	46.605	85.8899	HCA2	466	0	0	0	0.09	
-468	H1A	SLES	1	35.3406	47.6455	86.2181	HCA2	466	0	0	0	0.09	
-469	O1	SLES	1	34.6793	47.5663	84.2705	OC30A	466	470	0	0	-0.34	
-470	C2	SLES	1	34.4562	48.7812	83.5242	CC32A	469	471	472	473	-0.01	
-471	H2A	SLES	1	33.3656	48.927	83.6518	HCA2	470	0	0	0	0.09	
-472	H2B	SLES	1	34.9936	49.5404	84.1359	HCA2	470	0	0	0	0.09	
-473	C1	SLES	1	34.8321	48.9589	82.0194	CC32A	470	474	475	476	-0.01	
-474	H1B	SLES	1	33.9682	48.6728	81.3807	HCA2	473	0	0	0	0.09	
-475	H1A	SLES	1	35.0791	50.0222	81.8271	HCA2	473	0	0	0	0.09	
-476	O1	SLES	1	35.8956	48.198	81.3617	OC30A	473	477	0	0	-0.34	
-477	C1	SLES	1	36.5679	48.898	80.2516	CTL2	476	478	479	480	-0.18	
-478	H11	SLES	1	35.9765	49.8054	80.0329	HAL2	477	0	0	0	0.09	
-479	H12	SLES	1	37.521	49.2014	80.7319	HAL2	477	0	0	0	0.09	
-480	C2	SLES	1	36.8684	48.1243	78.9072	CTL2	477	481	482	483	-0.18	
-481	H21	SLES	1	36.4643	47.0901	78.9836	HAL2	480	0	0	0	0.09	
-482	H22	SLES	1	37.9696	48.0523	78.7701	HAL2	480	0	0	0	0.09	
-483	C3	SLES	1	36.224	48.8454	77.6253	CTL2	480	484	485	486	-0.18	
-484	H31	SLES	1	35.317	48.2821	77.3119	HAL2	483	0	0	0	0.09	
-485	H32	SLES	1	35.9075	49.8692	77.9078	HAL2	483	0	0	0	0.09	
-486	C4	SLES	1	37.2227	48.9359	76.3979	CTL2	483	487	488	489	-0.18	
-487	H41	SLES	1	36.9573	48.1506	75.6597	HAL2	486	0	0	0	0.09	
-488	H42	SLES	1	38.2566	48.7366	76.7531	HAL2	486	0	0	0	0.09	
-489	C5	SLES	1	37.1868	50.3604	75.6805	CTL2	486	490	491	492	-0.18	
-490	H51	SLES	1	36.2515	50.8888	75.9691	HAL2	489	0	0	0	0.09	
-491	H52	SLES	1	38.0482	50.9688	76.0394	HAL2	489	0	0	0	0.09	
-492	C6	SLES	1	37.2508	50.2583	74.1099	CTL2	489	493	494	495	-0.18	
-493	H61	SLES	1	36.2791	49.8686	73.7318	HAL2	492	0	0	0	0.09	
-494	H62	SLES	1	37.399	51.2793	73.6866	HAL2	492	0	0	0	0.09	
-495	C7	SLES	1	38.4016	49.3289	73.61	CTL2	492	496	497	498	-0.18	
-496	H71	SLES	1	38.0664	48.27	73.6741	HAL2	495	0	0	0	0.09	
-497	H72	SLES	1	39.2838	49.4508	74.2772	HAL2	495	0	0	0	0.09	
-498	C8	SLES	1	38.8253	49.6352	72.1519	CTL2	495	499	500	501	-0.18	
-499	H81	SLES	1	37.9125	49.7367	71.5211	HAL2	498	0	0	0	0.09	
-500	H82	SLES	1	39.3702	50.6064	72.1277	HAL2	498	0	0	0	0.09	
-501	C9	SLES	1	39.7329	48.5305	71.5549	CTL2	498	502	503	504	-0.18	
-502	H91	SLES	1	39.1988	47.5546	71.6066	HAL2	501	0	0	0	0.09	
-503	H92	SLES	1	40.6575	48.449	72.1696	HAL2	501	0	0	0	0.09	
-504	C10	SLES	1	40.1268	48.8123	70.0856	CTL2	501	505	506	507	-0.18	
-505	H10	SLES	1	39.2029	48.8706	69.4661	HAL2	504	0	0	0	0.09	
-506	H10	SLES	1	40.6413	49.7983	70.0298	HAL2	504	0	0	0	0.09	
-507	C11	SLES	1	41.0606	47.7197	69.5008	CTL2	504	508	509	510	-0.18	
-508	H11	SLES	1	40.539	46.7366	69.5526	HAL2	507	0	0	0	0.09	
-509	H11	SLES	1	41.9748	47.6526	70.1339	HAL2	507	0	0	0	0.09	
-510	C12	SLES	1	41.4873	47.9822	68.0333	CTL3	507	511	512	513	-0.27	
-511	H12	SLES	1	41.1621	47.1425	67.3801	HAL3	510	0	0	0	0.09	
-512	H12	SLES	1	42.5934	48.0775	67.9635	HAL3	510	0	0	0	0.09	
-513	H12	SLES	1	41.0263	48.9218	67.6583	HAL3	510	0	0	0	0.09	
-514	NA	SLES	1	36.5284	36.7684	89.575	NA	0	0	0	0	1	
-515	S	SLES	1	35.1501	39.9891	88.5368	SL	516	517	518	519	1.33	
-516	OS1	SLES	1	36.2188	39.0779	87.6231	OSL	515	520	0	0	-0.28	
-517	OS2	SLES	1	33.9995	39.1445	88.7822	O2L	515	0	0	0	-0.65	
-518	OS3	SLES	1	35.8274	40.2729	89.7848	O2L	515	0	0	0	-0.65	
-519	OS4	SLES	1	34.728	41.2312	87.9096	O2L	515	0	0	0	-0.65	
-520	C2	SLES	1	36.3541	39.6575	86.2571	CC32A	516	521	522	523	-0.11	
-521	H2A	SLES	1	35.3468	39.7499	85.7633	HCA2	520	0	0	0	0.09	
-522	H2B	SLES	1	36.8111	40.6818	86.3473	HCA2	520	0	0	0	0.09	
-523	C1	SLES	1	37.3042	38.717	85.3743	CC32A	520	524	525	526	-0.01	
-524	H1B	SLES	1	36.8993	37.6791	85.3566	HCA2	523	0	0	0	0.09	
-525	H1A	SLES	1	38.3294	38.6957	85.812	HCA2	523	0	0	0	0.09	
-526	O1	SLES	1	37.5223	39.0155	83.9456	OC30A	523	527	0	0	-0.34	
-527	C2	SLES	1	37.1981	40.3521	83.5085	CC32A	526	528	529	530	-0.01	
-528	H2A	SLES	1	36.1162	40.4083	83.739	HCA2	527	0	0	0	0.09	
-529	H2B	SLES	1	37.7535	40.984	84.2377	HCA2	527	0	0	0	0.09	
-530	C1	SLES	1	37.4494	40.8785	82.0604	CC32A	527	531	532	533	-0.01	
-531	H1B	SLES	1	36.5495	40.696	81.4335	HCA2	530	0	0	0	0.09	
-532	H1A	SLES	1	37.6421	41.9694	82.096	HCA2	530	0	0	0	0.09	
-533	O1	SLES	1	38.4856	40.3393	81.1781	OC30A	530	534	0	0	-0.34	
-534	C1	SLES	1	39.0439	41.3023	80.2112	CTL2	533	535	536	537	-0.18	
-535	H11	SLES	1	38.4049	42.2033	80.2426	HAL2	534	0	0	0	0.09	
-536	H12	SLES	1	40.0198	41.5416	80.682	HAL2	534	0	0	0	0.09	
-537	C2	SLES	1	39.267	40.8628	78.7101	CTL2	534	538	539	540	-0.18	
-538	H21	SLES	1	38.9077	39.8176	78.579	HAL2	537	0	0	0	0.09	
-539	H22	SLES	1	40.3561	40.8812	78.4862	HAL2	537	0	0	0	0.09	
-540	C3	SLES	1	38.4994	41.8152	77.6697	CTL2	537	541	542	543	-0.18	
-541	H31	SLES	1	37.5918	41.2884	77.2996	HAL2	540	0	0	0	0.09	
-542	H32	SLES	1	38.1689	42.7328	78.1959	HAL2	540	0	0	0	0.09	
-543	C4	SLES	1	39.3959	42.228	76.4296	CTL2	540	544	545	546	-0.18	
-544	H41	SLES	1	39.1027	41.613	75.5533	HAL2	543	0	0	0	0.09	
-545	H42	SLES	1	40.4608	42.0096	76.6602	HAL2	543	0	0	0	0.09	
-546	C5	SLES	1	39.2529	43.7722	76.0551	CTL2	543	547	548	549	-0.18	
-547	H51	SLES	1	38.3243	44.1734	76.5176	HAL2	546	0	0	0	0.09	
-548	H52	SLES	1	40.117	44.3304	76.4826	HAL2	546	0	0	0	0.09	
-549	C6	SLES	1	39.1986	44.0243	74.5011	CTL2	546	550	551	552	-0.18	
-550	H61	SLES	1	38.2152	43.6775	74.1115	HAL2	549	0	0	0	0.09	
-551	H62	SLES	1	39.2764	45.12	74.3092	HAL2	549	0	0	0	0.09	
-552	C7	SLES	1	40.34	43.2907	73.7284	CTL2	549	553	554	555	-0.18	
-553	H71	SLES	1	40.0493	42.2278	73.5751	HAL2	552	0	0	0	0.09	
-554	H72	SLES	1	41.2663	43.3079	74.3448	HAL2	552	0	0	0	0.09	
-555	C8	SLES	1	40.6379	43.9345	72.3514	CTL2	552	556	557	558	-0.18	
-556	H81	SLES	1	39.6759	44.1251	71.8227	HAL2	555	0	0	0	0.09	
-557	H82	SLES	1	41.1437	44.9141	72.5095	HAL2	555	0	0	0	0.09	
-558	C9	SLES	1	41.5358	43.0389	71.4613	CTL2	555	559	560	561	-0.18	
-559	H91	SLES	1	41.043	42.0491	71.3282	HAL2	558	0	0	0	0.09	
-560	H92	SLES	1	42.5077	42.872	71.9781	HAL2	558	0	0	0	0.09	
-561	C10	SLES	1	41.8041	43.6597	70.0699	CTL2	558	562	563	564	-0.18	
-562	H10	SLES	1	40.8334	43.8052	69.5433	HAL2	561	0	0	0	0.09	
-563	H10	SLES	1	42.2767	44.6593	70.2027	HAL2	561	0	0	0	0.09	
-564	C11	SLES	1	42.7287	42.7746	69.1926	CTL2	561	565	566	567	-0.18	
-565	H11	SLES	1	42.2486	41.7785	69.0571	HAL2	564	0	0	0	0.09	
-566	H11	SLES	1	43.691	42.6171	69.7312	HAL2	564	0	0	0	0.09	
-567	C12	SLES	1	43.0304	43.378	67.7964	CTL3	564	568	569	570	-0.27	
-568	H12	SLES	1	42.6861	42.6881	66.9946	HAL3	567	0	0	0	0.09	
-569	H12	SLES	1	44.1236	43.5445	67.6753	HAL3	567	0	0	0	0.09	
-570	H12	SLES	1	42.508	44.3518	67.6744	HAL3	567	0	0	0	0.09	
-571	NA	SLES	1	44.9945	30.7479	89.0171	NA	0	0	0	0	1	
-572	S	SLES	1	43.3421	33.9935	88.7238	SL	573	574	575	576	1.33	
-573	OS1	SLES	1	44.2421	33.2759	87.5064	OSL	572	577	0	0	-0.28	
-574	OS2	SLES	1	42.2874	33.0587	89.0571	O2L	572	0	0	0	-0.65	
-575	OS3	SLES	1	44.2385	34.1465	89.8507	O2L	572	0	0	0	-0.65	
-576	OS4	SLES	1	42.7684	35.2819	88.3697	O2L	572	0	0	0	-0.65	
-577	C2	SLES	1	44.0931	34.0398	86.2357	CC32A	573	578	579	580	-0.11	
-578	H2A	SLES	1	43.007	34.1391	85.9571	HCA2	577	0	0	0	0.09	
-579	H2B	SLES	1	44.5268	35.0675	86.3837	HCA2	577	0	0	0	0.09	
-580	C1	SLES	1	44.8837	33.2822	85.0663	CC32A	577	581	582	583	-0.01	
-581	H1B	SLES	1	44.5155	32.2343	84.977	HCA2	580	0	0	0	0.09	
-582	H1A	SLES	1	45.9743	33.2617	85.2971	HCA2	580	0	0	0	0.09	
-583	O1	SLES	1	44.8124	33.7812	83.6792	OC30A	580	584	0	0	-0.34	
-584	C2	SLES	1	44.3685	35.1432	83.5052	CC32A	583	585	586	587	-0.01	
-585	H2A	SLES	1	43.3502	35.1056	83.9393	HCA2	584	0	0	0	0.09	
-586	H2B	SLES	1	45.0343	35.703	84.2	HCA2	584	0	0	0	0.09	
-587	C1	SLES	1	44.319	35.8722	82.1255	CC32A	584	588	589	590	-0.01	
-588	H1B	SLES	1	43.3212	35.7236	81.6583	HCA2	587	0	0	0	0.09	
-589	H1A	SLES	1	44.481	36.9579	82.2793	HCA2	587	0	0	0	0.09	
-590	O1	SLES	1	45.1816	35.5166	80.9976	OC30A	587	591	0	0	-0.34	
-591	C1	SLES	1	45.5125	36.6308	80.0904	CTL2	590	592	593	594	-0.18	
-592	H11	SLES	1	44.8639	37.4811	80.3685	HAL2	591	0	0	0	0.09	
-593	H12	SLES	1	46.553	36.8609	80.3997	HAL2	591	0	0	0	0.09	
-594	C2	SLES	1	45.4552	36.4096	78.527	CTL2	591	595	596	597	-0.18	
-595	H21	SLES	1	45.1101	35.3723	78.318	HAL2	594	0	0	0	0.09	
-596	H22	SLES	1	46.4795	36.5206	78.1085	HAL2	594	0	0	0	0.09	
-597	C3	SLES	1	44.472	37.4467	77.7947	CTL2	594	598	599	600	-0.18	
-598	H31	SLES	1	43.5268	36.9226	77.5295	HAL2	597	0	0	0	0.09	
-599	H32	SLES	1	44.2209	38.2651	78.4985	HAL2	597	0	0	0	0.09	
-600	C4	SLES	1	45.0989	38.0727	76.4805	CTL2	597	601	602	603	-0.18	
-601	H41	SLES	1	44.6613	37.5644	75.5959	HAL2	600	0	0	0	0.09	
-602	H42	SLES	1	46.1945	37.8872	76.4746	HAL2	600	0	0	0	0.09	
-603	C5	SLES	1	44.8383	39.6422	76.3629	CTL2	600	604	605	606	-0.18	
-604	H51	SLES	1	44.0044	39.9237	77.0431	HAL2	603	0	0	0	0.09	
-605	H52	SLES	1	45.7509	40.1871	76.6965	HAL2	603	0	0	0	0.09	
-606	C6	SLES	1	44.4772	40.0963	74.8984	CTL2	603	607	608	609	-0.18	
-607	H61	SLES	1	43.4483	39.7486	74.6541	HAL2	606	0	0	0	0.09	
-608	H62	SLES	1	44.4824	41.2105	74.8533	HAL2	606	0	0	0	0.09	
-609	C7	SLES	1	45.4702	39.5397	73.8297	CTL2	606	610	611	612	-0.18	
-610	H71	SLES	1	45.1886	38.4918	73.5837	HAL2	609	0	0	0	0.09	
-611	H72	SLES	1	46.4971	39.5278	74.2583	HAL2	609	0	0	0	0.09	
-612	C8	SLES	1	45.4764	40.378	72.5271	CTL2	609	613	614	615	-0.18	
-613	H81	SLES	1	44.425	40.5817	72.22	HAL2	612	0	0	0	0.09	
-614	H82	SLES	1	45.9725	41.3552	72.7257	HAL2	612	0	0	0	0.09	
-615	C9	SLES	1	46.2131	39.6628	71.3667	CTL2	612	616	617	618	-0.18	
-616	H91	SLES	1	45.7349	38.6729	71.1885	HAL2	615	0	0	0	0.09	
-617	H92	SLES	1	47.2711	39.4847	71.6637	HAL2	615	0	0	0	0.09	
-618	C10	SLES	1	46.1882	40.4786	70.0524	CTL2	615	619	620	621	-0.18	
-619	H10	SLES	1	45.1301	40.6369	69.7426	HAL2	618	0	0	0	0.09	
-620	H10	SLES	1	46.6462	41.477	70.2354	HAL2	618	0	0	0	0.09	
-621	C11	SLES	1	46.9531	39.7736	68.901	CTL2	618	622	623	624	-0.18	
-622	H11	SLES	1	46.4871	38.7785	68.7172	HAL2	621	0	0	0	0.09	
-623	H11	SLES	1	48.0057	39.6012	69.2223	HAL2	621	0	0	0	0.09	
-624	C12	SLES	1	46.9607	40.5746	67.5733	CTL3	621	625	626	627	-0.27	
-625	H12	SLES	1	46.4897	39.9795	66.7601	HAL3	624	0	0	0	0.09	
-626	H12	SLES	1	48.0042	40.8187	67.2751	HAL3	624	0	0	0	0.09	
-627	H12	SLES	1	46.3946	41.5242	67.6909	HAL3	624	0	0	0	0.09	
-628	NA	SLES	1	55.3288	30.8073	88.703	NA	0	0	0	0	1	
-629	S	SLES	1	53.5114	33.9747	88.823	SL	630	631	632	633	1.33	
-630	OS1	SLES	1	54.1313	33.2914	87.4244	OSL	629	634	0	0	-0.28	
-631	OS2	SLES	1	52.6069	32.9958	89.3897	O2L	629	0	0	0	-0.65	
-632	OS3	SLES	1	54.6395	34.1733	89.7087	O2L	629	0	0	0	-0.65	
-633	OS4	SLES	1	52.8139	35.2345	88.6203	O2L	629	0	0	0	-0.65	
-634	C2	SLES	1	53.6543	34.0412	86.2283	CC32A	630	635	636	637	-0.11	
-635	H2A	SLES	1	52.5298	34.0906	86.2131	HCA2	634	0	0	0	0.09	
-636	H2B	SLES	1	54.0646	35.0879	86.2759	HCA2	634	0	0	0	0.09	
-637	C1	SLES	1	54.181	33.3133	84.902	CC32A	634	638	639	640	-0.01	
-638	H1B	SLES	1	53.8492	32.2496	84.8962	HCA2	637	0	0	0	0.09	
-639	H1A	SLES	1	55.2952	33.3425	84.8702	HCA2	637	0	0	0	0.09	
-640	O1	SLES	1	53.764	33.8012	83.5732	OC30A	637	641	0	0	-0.34	
-641	C2	SLES	1	53.2316	35.1413	83.5154	CC32A	640	642	643	644	-0.01	
-642	H2A	SLES	1	52.3465	35.0608	84.1763	HCA2	641	0	0	0	0.09	
-643	H2B	SLES	1	54.0164	35.7337	84.0375	HCA2	641	0	0	0	0.09	
-644	C1	SLES	1	52.8273	35.86	82.1898	CC32A	641	645	646	647	-0.01	
-645	H1B	SLES	1	51.7552	35.6647	81.9692	HCA2	644	0	0	0	0.09	
-646	H1A	SLES	1	52.9724	36.9526	82.307	HCA2	644	0	0	0	0.09	
-647	O1	SLES	1	53.4159	35.5371	80.889	OC30A	644	648	0	0	-0.34	
-648	C1	SLES	1	53.4747	36.6602	79.9354	CTL2	647	649	650	651	-0.18	
-649	H11	SLES	1	52.8723	37.4822	80.3625	HAL2	648	0	0	0	0.09	
-650	H12	SLES	1	54.5474	36.9378	79.9929	HAL2	648	0	0	0	0.09	
-651	C2	SLES	1	53.0618	36.4283	78.428	CTL2	648	652	653	654	-0.18	
-652	H21	SLES	1	52.7236	35.3757	78.3004	HAL2	651	0	0	0	0.09	
-653	H22	SLES	1	53.9532	36.5825	77.7813	HAL2	651	0	0	0	0.09	
-654	C3	SLES	1	51.889	37.4168	77.9525	CTL2	651	655	656	657	-0.18	
-655	H31	SLES	1	50.9322	36.8499	77.9139	HAL2	654	0	0	0	0.09	
-656	H32	SLES	1	51.7741	38.227	78.7	HAL2	654	0	0	0	0.09	
-657	C4	SLES	1	52.1614	38.0631	76.5312	CTL2	654	658	659	660	-0.18	
-658	H41	SLES	1	51.5513	37.5312	75.7714	HAL2	657	0	0	0	0.09	
-659	H42	SLES	1	53.2322	37.9264	76.2672	HAL2	657	0	0	0	0.09	
-660	C5	SLES	1	51.811	39.6188	76.4863	CTL2	657	661	662	663	-0.18	
-661	H51	SLES	1	51.1485	39.8666	77.3448	HAL2	660	0	0	0	0.09	
-662	H52	SLES	1	52.7513	40.2055	76.5992	HAL2	660	0	0	0	0.09	
-663	C6	SLES	1	51.0963	40.0487	75.1501	CTL2	660	664	665	666	-0.18	
-664	H61	SLES	1	50.0554	39.6543	75.1523	HAL2	663	0	0	0	0.09	
-665	H62	SLES	1	51.0413	41.1618	75.1108	HAL2	663	0	0	0	0.09	
-666	C7	SLES	1	51.8344	39.5311	73.8751	CTL2	663	667	668	669	-0.18	
-667	H71	SLES	1	51.5497	38.4705	73.6966	HAL2	666	0	0	0	0.09	
-668	H72	SLES	1	52.9327	39.5671	74.0505	HAL2	666	0	0	0	0.09	
-669	C8	SLES	1	51.4974	40.3619	72.6119	CTL2	666	670	671	672	-0.18	
-670	H81	SLES	1	50.3953	40.5172	72.5614	HAL2	669	0	0	0	0.09	
-671	H82	SLES	1	51.9823	41.3613	72.6936	HAL2	669	0	0	0	0.09	
-672	C9	SLES	1	51.972	39.6741	71.3073	CTL2	669	673	674	675	-0.18	
-673	H91	SLES	1	51.5098	38.663	71.2411	HAL2	672	0	0	0	0.09	
-674	H92	SLES	1	53.077	39.5447	71.3466	HAL2	672	0	0	0	0.09	
-675	C10	SLES	1	51.6031	40.481	70.0399	CTL2	672	676	677	678	-0.18	
-676	H10	SLES	1	50.4958	40.5905	69.988	HAL2	675	0	0	0	0.09	
-677	H10	SLES	1	52.0464	41.4997	70.1155	HAL2	675	0	0	0	0.09	
-678	C11	SLES	1	52.1067	39.8045	68.7373	CTL2	675	679	680	681	-0.18	
-679	H11	SLES	1	51.6553	38.7887	68.6628	HAL2	678	0	0	0	0.09	
-680	H11	SLES	1	53.212	39.6808	68.8016	HAL2	678	0	0	0	0.09	
-681	C12	SLES	1	51.7668	40.5981	67.4492	CTL3	678	682	683	684	-0.27	
-682	H12	SLES	1	51.145	39.9783	66.7662	HAL3	681	0	0	0	0.09	
-683	H12	SLES	1	52.6992	40.8867	66.9156	HAL3	681	0	0	0	0.09	
-684	H12	SLES	1	51.2025	41.5222	67.7014	HAL3	681	0	0	0	0.09	
-685	NA	SLES	1	63.6819	36.8645	88.7524	NA	0	0	0	0	1	
-686	S	SLES	1	61.7391	39.9587	88.7964	SL	687	688	689	690	1.33	
-687	OS1	SLES	1	62.1252	39.103	87.4087	OSL	686	691	0	0	-0.28	
-688	OS2	SLES	1	61.0145	39.0427	89.6528	O2L	686	0	0	0	-0.65	
-689	OS3	SLES	1	62.9995	40.3163	89.413	O2L	686	0	0	0	-0.65	
-690	OS4	SLES	1	60.9445	41.1545	88.5656	O2L	686	0	0	0	-0.65	
-691	C2	SLES	1	61.3907	39.6598	86.2379	CC32A	687	692	693	694	-0.11	
-692	H2A	SLES	1	60.2822	39.6715	86.4335	HCA2	691	0	0	0	0.09	
-693	H2B	SLES	1	61.7415	40.7148	86.0649	HCA2	691	0	0	0	0.09	
-694	C1	SLES	1	61.7014	38.7673	84.9443	CC32A	691	695	696	697	-0.01	
-695	H1B	SLES	1	61.4363	37.7038	85.1449	HCA2	694	0	0	0	0.09	
-696	H1A	SLES	1	62.7864	38.8263	84.6944	HCA2	694	0	0	0	0.09	
-697	O1	SLES	1	61.016	39.048	83.6678	OC30A	694	698	0	0	-0.34	
-698	C2	SLES	1	60.4057	40.349	83.5353	CC32A	697	699	700	701	-0.01	
-699	H2A	SLES	1	59.6658	40.3358	84.3593	HCA2	698	0	0	0	0.09	
-700	H2B	SLES	1	61.2387	41.0337	83.812	HCA2	698	0	0	0	0.09	
-701	C1	SLES	1	59.72	40.8588	82.2287	CC32A	698	702	703	704	-0.01	
-702	H1B	SLES	1	58.6387	40.6009	82.2473	HCA2	701	0	0	0	0.09	
-703	H1A	SLES	1	59.8212	41.961	82.1685	HCA2	701	0	0	0	0.09	
-704	O1	SLES	1	60.0728	40.3726	80.8938	OC30A	701	705	0	0	-0.34	
-705	C1	SLES	1	59.8875	41.3498	79.8054	CTL2	704	706	707	708	-0.18	
-706	H11	SLES	1	59.3292	42.2051	80.2269	HAL2	705	0	0	0	0.09	
-707	H12	SLES	1	60.9343	41.6661	79.6171	HAL2	705	0	0	0	0.09	
-708	C2	SLES	1	59.2144	40.8931	78.4509	CTL2	705	709	710	711	-0.18	
-709	H21	SLES	1	58.9196	39.823	78.5329	HAL2	708	0	0	0	0.09	
-710	H22	SLES	1	59.9588	40.9813	77.6296	HAL2	708	0	0	0	0.09	
-711	C3	SLES	1	57.9183	41.7669	78.0829	CTL2	708	712	713	714	-0.18	
-712	H31	SLES	1	57.0055	41.1708	78.3059	HAL2	711	0	0	0	0.09	
-713	H32	SLES	1	57.8985	42.6712	78.7233	HAL2	711	0	0	0	0.09	
-714	C4	SLES	1	57.8826	42.2125	76.5623	CTL2	711	715	716	717	-0.18	
-715	H41	SLES	1	57.1731	41.5593	76.0127	HAL2	714	0	0	0	0.09	
-716	H42	SLES	1	58.8913	42.0731	76.1173	HAL2	714	0	0	0	0.09	
-717	C5	SLES	1	57.4408	43.7344	76.3783	CTL2	714	718	719	720	-0.18	
-718	H51	SLES	1	56.9372	44.0811	77.3076	HAL2	717	0	0	0	0.09	
-719	H52	SLES	1	58.3501	44.3601	76.2281	HAL2	717	0	0	0	0.09	
-720	C6	SLES	1	56.4655	43.9473	75.1599	CTL2	717	721	722	723	-0.18	
-721	H61	SLES	1	55.4678	43.525	75.4158	HAL2	720	0	0	0	0.09	
-722	H62	SLES	1	56.3399	45.0412	74.9836	HAL2	720	0	0	0	0.09	
-723	C7	SLES	1	56.9809	43.2768	73.8473	CTL2	720	724	725	726	-0.18	
-724	H71	SLES	1	56.7296	42.1932	73.8706	HAL2	723	0	0	0	0.09	
-725	H72	SLES	1	58.0887	43.3715	73.801	HAL2	723	0	0	0	0.09	
-726	C8	SLES	1	56.3665	43.9085	72.5734	CTL2	723	727	728	729	-0.18	
-727	H81	SLES	1	55.2672	44.0206	72.7164	HAL2	726	0	0	0	0.09	
-728	H82	SLES	1	56.7996	44.924	72.4256	HAL2	726	0	0	0	0.09	
-729	C9	SLES	1	56.6278	43.0571	71.3056	CTL2	726	730	731	732	-0.18	
-730	H91	SLES	1	56.2205	42.033	71.4658	HAL2	729	0	0	0	0.09	
-731	H92	SLES	1	57.7263	42.9691	71.1478	HAL2	729	0	0	0	0.09	
-732	C10	SLES	1	55.9827	43.6636	70.037	CTL2	729	733	734	735	-0.18	
-733	H10	SLES	1	54.8807	43.7301	70.1857	HAL2	732	0	0	0	0.09	
-734	H10	SLES	1	56.3727	44.696	69.8887	HAL2	732	0	0	0	0.09	
-735	C11	SLES	1	56.2723	42.8247	68.7641	CTL2	732	736	737	738	-0.18	
-736	H11	SLES	1	55.8743	41.7951	68.9147	HAL2	735	0	0	0	0.09	
-737	H11	SLES	1	57.3753	42.7458	68.6298	HAL2	735	0	0	0	0.09	
-738	C12	SLES	1	55.6524	43.4159	67.4716	CTL3	735	739	740	741	-0.27	
-739	H12	SLES	1	54.9508	42.6862	67.0105	HAL3	738	0	0	0	0.09	
-740	H12	SLES	1	56.4505	43.6545	66.7343	HAL3	738	0	0	0	0.09	
-741	H12	SLES	1	55.0928	44.3486	67.7021	HAL3	738	0	0	0	0.09	
-742	NA	SLES	1	76.7482	46.6805	83.0891	NA	0	0	0	0	1	
-743	S	SLES	1	74.5966	49.6329	83.1559	SL	744	745	746	747	1.33	
-744	OS1	SLES	1	74.6134	48.5015	81.9202	OSL	743	748	0	0	-0.28	
-745	OS2	SLES	1	74.2842	48.9074	84.3697	O2L	743	0	0	0	-0.65	
-746	OS3	SLES	1	75.9409	50.1654	83.2328	O2L	743	0	0	0	-0.65	
-747	OS4	SLES	1	73.6454	50.7166	82.9679	O2L	743	0	0	0	-0.65	
-748	C2	SLES	1	73.4901	48.7537	80.9742	CC32A	744	749	750	751	-0.11	
-749	H2A	SLES	1	72.5063	48.769	81.521	HCA2	748	0	0	0	0.09	
-750	H2B	SLES	1	73.6517	49.7548	80.4865	HCA2	748	0	0	0	0.09	
-751	C1	SLES	1	73.4697	47.605	79.8578	CC32A	748	752	753	754	-0.01	
-752	H1B	SLES	1	73.3985	46.605	80.3441	HCA2	751	0	0	0	0.09	
-753	H1A	SLES	1	74.4065	47.6455	79.2546	HCA2	751	0	0	0	0.09	
-754	O1	SLES	1	72.3891	47.5663	78.8534	OC30A	751	755	0	0	-0.34	
-755	C2	SLES	1	71.6312	48.7812	78.6736	CC32A	754	756	757	758	-0.01	
-756	H2A	SLES	1	71.1965	48.927	79.6818	HCA2	755	0	0	0	0.09	
-757	H2B	SLES	1	72.4297	49.5404	78.514	HCA2	755	0	0	0	0.09	
-758	C1	SLES	1	70.516	48.9589	77.5956	CC32A	755	759	760	761	-0.01	
-759	H1B	SLES	1	69.5309	48.6728	78.0244	HCA2	758	0	0	0	0.09	
-760	H1A	SLES	1	70.473	50.0222	77.2855	HCA2	758	0	0	0	0.09	
-761	O1	SLES	1	70.4782	48.198	76.3457	OC30A	758	762	0	0	-0.34	
-762	C1	SLES	1	69.853	48.898	75.2085	CTL2	761	763	764	765	-0.18	
-763	H11	SLES	1	69.3679	49.8054	75.6113	HAL2	762	0	0	0	0.09	
-764	H12	SLES	1	70.7455	49.2014	74.6232	HAL2	762	0	0	0	0.09	
-765	C2	SLES	1	68.839	48.1243	74.276	CTL2	762	766	767	768	-0.18	
-766	H21	SLES	1	68.7031	47.0901	74.6642	HAL2	765	0	0	0	0.09	
-767	H22	SLES	1	69.2708	48.0523	73.2538	HAL2	765	0	0	0	0.09	
-768	C3	SLES	1	67.4066	48.8454	74.1931	CTL2	765	769	770	771	-0.18	
-769	H31	SLES	1	66.6816	48.2821	74.8219	HAL2	768	0	0	0	0.09	
-770	H32	SLES	1	67.493	49.8692	74.6085	HAL2	768	0	0	0	0.09	
-771	C4	SLES	1	66.843	48.9359	72.7146	CTL2	768	772	773	774	-0.18	
-772	H41	SLES	1	66.071	48.1506	72.5752	HAL2	771	0	0	0	0.09	
-773	H42	SLES	1	67.6676	48.7366	71.9968	HAL2	771	0	0	0	0.09	
-774	C5	SLES	1	66.2037	50.3604	72.3869	CTL2	771	775	776	777	-0.18	
-775	H51	SLES	1	65.986	50.8888	73.3413	HAL2	774	0	0	0	0.09	
-776	H52	SLES	1	66.9453	50.9688	71.8204	HAL2	774	0	0	0	0.09	
-777	C6	SLES	1	64.8756	50.2583	71.5462	CTL2	774	778	779	780	-0.18	
-778	H61	SLES	1	64.0623	49.8686	72.1986	HAL2	777	0	0	0	0.09	
-779	H62	SLES	1	64.5831	51.2793	71.2061	HAL2	777	0	0	0	0.09	
-780	C7	SLES	1	65.018	49.3289	70.2996	CTL2	777	781	782	783	-0.18	
-781	H71	SLES	1	64.9059	48.27	70.6219	HAL2	780	0	0	0	0.09	
-782	H72	SLES	1	66.037	49.4508	69.8692	HAL2	780	0	0	0	0.09	
-783	C8	SLES	1	63.9671	49.6352	69.2036	CTL2	780	784	785	786	-0.18	
-784	H81	SLES	1	62.9644	49.7367	69.6787	HAL2	783	0	0	0	0.09	
-785	H82	SLES	1	64.2186	50.6064	68.7197	HAL2	783	0	0	0	0.09	
-786	C9	SLES	1	63.9039	48.5305	68.1191	CTL2	783	787	788	789	-0.18	
-787	H91	SLES	1	63.6817	47.5546	68.6076	HAL2	786	0	0	0	0.09	
-788	H92	SLES	1	64.8985	48.449	67.6258	HAL2	786	0	0	0	0.09	
-789	C10	SLES	1	62.8284	48.8123	67.0433	CTL2	786	790	791	792	-0.18	
-790	H10	SLES	1	61.83	48.8706	67.5337	HAL2	789	0	0	0	0.09	
-791	H10	SLES	1	63.0373	49.7983	66.5699	HAL2	789	0	0	0	0.09	
-792	C11	SLES	1	62.7888	47.7197	65.9422	CTL2	789	793	794	795	-0.18	
-793	H11	SLES	1	62.5729	46.7366	66.4198	HAL2	792	0	0	0	0.09	
-794	H11	SLES	1	63.7942	47.6526	65.4671	HAL2	792	0	0	0	0.09	
-795	C12	SLES	1	61.7313	47.9822	64.839	CTL3	792	796	797	798	-0.27	
-796	H12	SLES	1	61.003	47.1425	64.794	HAL3	795	0	0	0	0.09	
-797	H12	SLES	1	62.2239	48.0775	63.8462	HAL3	795	0	0	0	0.09	
-798	H12	SLES	1	61.1761	48.9218	65.0507	HAL3	795	0	0	0	0.09	
-799	NA	SLES	1	74.6399	57.5747	83.6998	NA	0	0	0	0	1	
-800	S	SLES	1	72.2681	60.2491	82.9436	SL	801	802	803	804	1.33	
-801	OS1	SLES	1	72.449	58.8574	82.0284	OSL	800	805	0	0	-0.28	
-802	OS2	SLES	1	71.937	59.8155	84.2852	O2L	800	0	0	0	-0.65	
-803	OS3	SLES	1	73.56	60.9029	82.9423	O2L	800	0	0	0	-0.65	
-804	OS4	SLES	1	71.25	61.1646	82.4536	O2L	800	0	0	0	-0.65	
-805	C2	SLES	1	71.371	58.77	81.0034	CC32A	801	806	807	808	-0.11	
-806	H2A	SLES	1	70.3566	58.8294	81.4878	HCA2	805	0	0	0	0.09	
-807	H2B	SLES	1	71.4854	59.6328	80.2902	HCA2	805	0	0	0	0.09	
-808	C1	SLES	1	71.5087	57.3872	80.2063	CC32A	805	809	810	811	-0.01	
-809	H1B	SLES	1	71.4842	56.5333	80.9216	HCA2	808	0	0	0	0.09	
-810	H1A	SLES	1	72.4756	57.3638	79.6515	HCA2	808	0	0	0	0.09	
-811	O1	SLES	1	70.4992	57.0086	79.1986	OC30A	808	812	0	0	-0.34	
-812	C2	SLES	1	69.6631	58.0701	78.692	CC32A	811	813	814	815	-0.01	
-813	H2A	SLES	1	69.1562	58.4171	79.6137	HCA2	812	0	0	0	0.09	
-814	H2B	SLES	1	70.4093	58.8363	78.383	HCA2	812	0	0	0	0.09	
-815	C1	SLES	1	68.6071	57.8795	77.558	CC32A	812	816	817	818	-0.01	
-816	H1B	SLES	1	67.622	57.619	78.0028	HCA2	815	0	0	0	0.09	
-817	H1A	SLES	1	68.5021	58.8272	76.9928	HCA2	815	0	0	0	0.09	
-818	O1	SLES	1	68.7061	56.8372	76.535	OC30A	815	819	0	0	-0.34	
-819	C1	SLES	1	68.1014	57.1806	75.2348	CTL2	818	820	821	822	-0.18	
-820	H11	SLES	1	67.5238	58.1114	75.3797	HAL2	819	0	0	0	0.09	
-821	H12	SLES	1	69.0028	57.4115	74.6304	HAL2	819	0	0	0	0.09	
-822	C2	SLES	1	67.2101	56.1155	74.4814	CTL2	819	823	824	825	-0.18	
-823	H21	SLES	1	67.13	55.1988	75.1076	HAL2	822	0	0	0	0.09	
-824	H22	SLES	1	67.7093	55.8362	73.5278	HAL2	822	0	0	0	0.09	
-825	C3	SLES	1	65.7346	56.6631	74.1628	CTL2	822	826	827	828	-0.18	
-826	H31	SLES	1	65.0171	56.2069	74.8807	HAL2	825	0	0	0	0.09	
-827	H32	SLES	1	65.7159	57.7607	74.315	HAL2	825	0	0	0	0.09	
-828	C4	SLES	1	65.2593	56.3404	72.6857	CTL2	825	829	830	831	-0.18	
-829	H41	SLES	1	64.5601	55.4787	72.713	HAL2	828	0	0	0	0.09	
-830	H42	SLES	1	66.1401	56.0474	72.0747	HAL2	828	0	0	0	0.09	
-831	C5	SLES	1	64.5343	57.5791	71.9891	CTL2	828	832	833	834	-0.18	
-832	H51	SLES	1	64.2174	58.3019	72.773	HAL2	831	0	0	0	0.09	
-833	H52	SLES	1	65.2609	58.0956	71.3211	HAL2	831	0	0	0	0.09	
-834	C6	SLES	1	63.2732	57.1568	71.1451	CTL2	831	835	836	837	-0.18	
-835	H61	SLES	1	62.4529	56.866	71.8392	HAL2	834	0	0	0	0.09	
-836	H62	SLES	1	62.9249	58.0339	70.551	HAL2	834	0	0	0	0.09	
-837	C7	SLES	1	63.5642	55.9688	70.1746	CTL2	834	838	839	840	-0.18	
-838	H71	SLES	1	63.5138	55.0143	70.7441	HAL2	837	0	0	0	0.09	
-839	H72	SLES	1	64.5958	56.0734	69.7703	HAL2	837	0	0	0	0.09	
-840	C8	SLES	1	62.5636	55.9037	68.994	CTL2	837	841	842	843	-0.18	
-841	H81	SLES	1	61.5283	56.0272	69.3868	HAL2	840	0	0	0	0.09	
-842	H82	SLES	1	62.7695	56.7466	68.2956	HAL2	840	0	0	0	0.09	
-843	C9	SLES	1	62.6533	54.5674	68.2151	CTL2	840	844	845	846	-0.18	
-844	H91	SLES	1	62.4766	53.7236	68.9203	HAL2	843	0	0	0	0.09	
-845	H92	SLES	1	63.6802	54.458	67.7993	HAL2	843	0	0	0	0.09	
-846	C10	SLES	1	61.6288	54.4813	67.0591	CTL2	843	847	848	849	-0.18	
-847	H10	SLES	1	60.6001	54.5672	67.4777	HAL2	846	0	0	0	0.09	
-848	H10	SLES	1	61.7906	55.3372	66.3654	HAL2	846	0	0	0	0.09	
-849	C11	SLES	1	61.7422	53.1547	66.2622	CTL2	846	850	851	852	-0.18	
-850	H11	SLES	1	61.5729	52.302	66.9589	HAL2	849	0	0	0	0.09	
-851	H11	SLES	1	62.7775	53.0647	65.8609	HAL2	849	0	0	0	0.09	
-852	C12	SLES	1	60.7387	53.0449	65.0852	CTL3	849	853	854	855	-0.27	
-853	H12	SLES	1	60.0813	52.1577	65.2191	HAL3	852	0	0	0	0.09	
-854	H12	SLES	1	61.2837	52.9399	64.1211	HAL3	852	0	0	0	0.09	
-855	H12	SLES	1	60.1008	53.9541	65.0342	HAL3	852	0	0	0	0.09	
-856	NA	SLES	1	68.24	66.7478	84.3448	NA	0	0	0	0	1	
-857	S	SLES	1	65.8387	68.9743	82.7239	SL	858	859	860	861	1.33	
-858	OS1	SLES	1	66.2545	67.4544	82.1543	OSL	857	862	0	0	-0.28	
-859	OS2	SLES	1	65.3326	68.7826	84.0673	O2L	857	0	0	0	-0.65	
-860	OS3	SLES	1	67.0675	69.739	82.7653	O2L	857	0	0	0	-0.65	
-861	OS4	SLES	1	64.8497	69.6706	81.9167	O2L	857	0	0	0	-0.65	
-862	C2	SLES	1	65.3582	67.0613	81.0307	CC32A	858	863	864	865	-0.11	
-863	H2A	SLES	1	64.279	67.1146	81.3464	HCA2	862	0	0	0	0.09	
-864	H2B	SLES	1	65.5236	67.774	80.1758	HCA2	862	0	0	0	0.09	
-865	C1	SLES	1	65.7125	65.5692	80.5676	CC32A	862	866	867	868	-0.01	
-866	H1B	SLES	1	65.6348	64.8745	81.4353	HCA2	865	0	0	0	0.09	
-867	H1A	SLES	1	66.7534	65.5325	80.1697	HCA2	865	0	0	0	0.09	
-868	O1	SLES	1	64.9008	64.9022	79.5312	OC30A	865	869	0	0	-0.34	
-869	C2	SLES	1	64.0836	65.7557	78.7027	CC32A	868	870	871	872	-0.01	
-870	H2A	SLES	1	63.4167	66.2254	79.4519	HCA2	869	0	0	0	0.09	
-871	H2B	SLES	1	64.8151	66.5158	78.3469	HCA2	869	0	0	0	0.09	
-872	C1	SLES	1	63.233	65.2425	77.4983	CC32A	869	873	874	875	-0.01	
-873	H1B	SLES	1	62.2107	64.9788	77.8465	HCA2	872	0	0	0	0.09	
-874	H1A	SLES	1	63.1532	66.0455	76.7383	HCA2	872	0	0	0	0.09	
-875	O1	SLES	1	63.5612	64.0343	76.7399	OC30A	872	876	0	0	-0.34	
-876	C1	SLES	1	63.1448	64.0539	75.3255	CTL2	875	877	878	879	-0.18	
-877	H11	SLES	1	62.4897	64.9335	75.1909	HAL2	876	0	0	0	0.09	
-878	H12	SLES	1	64.1117	64.2491	74.8173	HAL2	876	0	0	0	0.09	
-879	C2	SLES	1	62.4567	62.7789	74.6954	CTL2	876	880	881	882	-0.18	
-880	H21	SLES	1	62.3424	62	75.4821	HAL2	879	0	0	0	0.09	
-881	H22	SLES	1	63.1163	62.3681	73.9	HAL2	879	0	0	0	0.09	
-882	C3	SLES	1	61.0151	63.1051	74.0675	CTL2	879	883	884	885	-0.18	
-883	H31	SLES	1	60.2271	62.7305	74.7582	HAL2	882	0	0	0	0.09	
-884	H32	SLES	1	60.8983	64.2039	73.9826	HAL2	882	0	0	0	0.09	
-885	C4	SLES	1	60.7993	62.4529	72.6392	CTL2	882	886	887	888	-0.18	
-886	H41	SLES	1	60.1647	61.5487	72.7489	HAL2	885	0	0	0	0.09	
-887	H42	SLES	1	61.7825	62.1336	72.2314	HAL2	885	0	0	0	0.09	
-888	C5	SLES	1	60.1093	63.4527	71.6052	CTL2	885	889	890	891	-0.18	
-889	H51	SLES	1	59.6254	64.2808	72.1687	HAL2	888	0	0	0	0.09	
-890	H52	SLES	1	60.8944	63.8968	70.9514	HAL2	888	0	0	0	0.09	
-891	C6	SLES	1	59.027	62.7505	70.7015	CTL2	888	892	893	894	-0.18	
-892	H61	SLES	1	58.1302	62.5226	71.3202	HAL2	891	0	0	0	0.09	
-893	H62	SLES	1	58.7169	63.4549	69.8945	HAL2	891	0	0	0	0.09	
-894	C7	SLES	1	59.5462	61.4294	70.051	CTL2	891	895	896	897	-0.18	
-895	H71	SLES	1	59.4726	60.6054	70.7949	HAL2	894	0	0	0	0.09	
-896	H72	SLES	1	60.6186	61.5535	69.781	HAL2	894	0	0	0	0.09	
-897	C8	SLES	1	58.7488	61.035	68.7829	CTL2	894	898	899	900	-0.18	
-898	H81	SLES	1	57.6589	61.1308	68.9935	HAL2	897	0	0	0	0.09	
-899	H82	SLES	1	59.0033	61.7401	67.9591	HAL2	897	0	0	0	0.09	
-900	C9	SLES	1	59.0497	59.5871	68.321	CTL2	897	901	902	903	-0.18	
-901	H91	SLES	1	58.8229	58.8853	69.1556	HAL2	900	0	0	0	0.09	
-902	H92	SLES	1	60.134	59.4998	68.0839	HAL2	900	0	0	0	0.09	
-903	C10	SLES	1	58.2265	59.1748	67.0778	CTL2	900	904	905	906	-0.18	
-904	H10	SLES	1	57.1416	59.2396	67.3221	HAL2	903	0	0	0	0.09	
-905	H10	SLES	1	58.4359	59.8892	66.2497	HAL2	903	0	0	0	0.09	
-906	C11	SLES	1	58.5529	57.7351	66.5997	CTL2	903	907	908	909	-0.18	
-907	H11	SLES	1	58.3354	57.0237	67.429	HAL2	906	0	0	0	0.09	
-908	H11	SLES	1	59.6418	57.6703	66.3739	HAL2	906	0	0	0	0.09	
-909	C12	SLES	1	57.7552	57.2976	65.344	CTL3	906	910	911	912	-0.27	
-910	H12	SLES	1	57.1469	56.3937	65.568	HAL3	909	0	0	0	0.09	
-911	H12	SLES	1	58.4499	57.0592	64.5085	HAL3	909	0	0	0	0.09	
-912	H12	SLES	1	57.0727	58.1116	65.0159	HAL3	909	0	0	0	0.09	
-913	NA	SLES	1	58.5753	72.5454	84.9125	NA	0	0	0	0	1	
-914	S	SLES	1	56.4464	74.3244	82.5348	SL	915	916	917	918	1.33	
-915	OS1	SLES	1	57.0831	72.7963	82.2762	OSL	914	919	0	0	-0.28	
-916	OS2	SLES	1	55.6686	74.2418	83.7536	O2L	914	0	0	0	-0.65	
-917	OS3	SLES	1	57.5791	75.2046	82.7324	O2L	914	0	0	0	-0.65	
-918	OS4	SLES	1	55.616	74.8227	81.4501	O2L	914	0	0	0	-0.65	
-919	C2	SLES	1	56.4889	72.19	81.0516	CC32A	915	920	921	922	-0.11	
-920	H2A	SLES	1	55.3655	72.1745	81.1212	HCA2	919	0	0	0	0.09	
-921	H2B	SLES	1	56.7905	72.8111	80.1631	HCA2	919	0	0	0	0.09	
-922	C1	SLES	1	57.0401	70.6957	80.8793	CC32A	919	923	924	925	-0.01	
-923	H1B	SLES	1	56.8196	70.1024	81.7963	HCA2	922	0	0	0	0.09	
-924	H1A	SLES	1	58.1434	70.7144	80.7197	HCA2	922	0	0	0	0.09	
-925	O1	SLES	1	56.5277	69.8371	79.7939	OC30A	922	926	0	0	-0.34	
-926	C2	SLES	1	55.8582	70.505	78.7038	CC32A	925	927	928	929	-0.01	
-927	H2A	SLES	1	55.0103	70.9916	79.2244	HCA2	926	0	0	0	0.09	
-928	H2B	SLES	1	56.596	71.2861	78.4121	HCA2	926	0	0	0	0.09	
-929	C1	SLES	1	55.3348	69.7752	77.4268	CC32A	926	930	931	932	-0.01	
-930	H1B	SLES	1	54.2814	69.4557	77.5827	HCA2	929	0	0	0	0.09	
-931	H1A	SLES	1	55.3706	70.4728	76.5662	HCA2	929	0	0	0	0.09	
-932	O1	SLES	1	55.9066	68.5246	76.9249	OC30A	929	933	0	0	-0.34	
-933	C1	SLES	1	55.8152	68.3392	75.465	CTL2	932	934	935	936	-0.18	
-934	H11	SLES	1	55.147	69.1293	75.0774	HAL2	933	0	0	0	0.09	
-935	H12	SLES	1	56.855	68.567	75.1518	HAL2	933	0	0	0	0.09	
-936	C2	SLES	1	55.3747	66.9388	74.8809	CTL2	933	937	938	939	-0.18	
-937	H21	SLES	1	55.1426	66.2492	75.7231	HAL2	936	0	0	0	0.09	
-938	H22	SLES	1	56.2218	66.5044	74.3061	HAL2	936	0	0	0	0.09	
-939	C3	SLES	1	54.0901	67.0481	73.9237	CTL2	936	940	941	942	-0.18	
-940	H31	SLES	1	53.196	66.6816	74.4757	HAL2	939	0	0	0	0.09	
-941	H32	SLES	1	53.919	68.113	73.6687	HAL2	939	0	0	0	0.09	
-942	C4	SLES	1	54.2433	66.2165	72.5832	CTL2	939	943	944	945	-0.18	
-943	H41	SLES	1	53.6646	65.2739	72.6767	HAL2	942	0	0	0	0.09	
-944	H42	SLES	1	55.3124	65.949	72.4398	HAL2	942	0	0	0	0.09	
-945	C5	SLES	1	53.7331	67.0176	71.3014	CTL2	942	946	947	948	-0.18	
-946	H51	SLES	1	53.0797	67.8546	71.6328	HAL2	945	0	0	0	0.09	
-947	H52	SLES	1	54.6113	67.4568	70.7752	HAL2	945	0	0	0	0.09	
-948	C6	SLES	1	52.9306	66.1132	70.2918	CTL2	945	949	950	951	-0.18	
-949	H61	SLES	1	51.9366	65.8727	70.7314	HAL2	948	0	0	0	0.09	
-950	H62	SLES	1	52.7597	66.6856	69.3502	HAL2	948	0	0	0	0.09	
-951	C7	SLES	1	53.6719	64.7822	69.9501	CTL2	948	952	953	954	-0.18	
-952	H71	SLES	1	53.492	64.047	70.7656	HAL2	951	0	0	0	0.09	
-953	H72	SLES	1	54.7663	64.9777	69.8994	HAL2	951	0	0	0	0.09	
-954	C8	SLES	1	53.2062	64.1675	68.6068	CTL2	951	955	956	957	-0.18	
-955	H81	SLES	1	52.0928	64.1808	68.5668	HAL2	954	0	0	0	0.09	
-956	H82	SLES	1	53.5881	64.7935	67.7683	HAL2	954	0	0	0	0.09	
-957	C9	SLES	1	53.7021	62.7119	68.4184	CTL2	954	958	959	960	-0.18	
-958	H91	SLES	1	53.3446	62.0931	69.2727	HAL2	957	0	0	0	0.09	
-959	H92	SLES	1	54.8153	62.7034	68.4305	HAL2	957	0	0	0	0.09	
-960	C10	SLES	1	53.2069	62.0798	67.0961	CTL2	957	961	962	963	-0.18	
-961	H10	SLES	1	52.0931	62.0668	67.0939	HAL2	960	0	0	0	0.09	
-962	H10	SLES	1	53.5453	62.7101	66.2427	HAL2	960	0	0	0	0.09	
-963	C11	SLES	1	53.7307	60.6329	66.8963	CTL2	960	964	965	966	-0.18	
-964	H11	SLES	1	53.384	60.0049	67.7487	HAL2	963	0	0	0	0.09	
-965	H11	SLES	1	54.8444	60.6485	66.9172	HAL2	963	0	0	0	0.09	
-966	C12	SLES	1	53.2649	59.977	65.5707	CTL3	963	967	968	969	-0.27	
-967	H12	SLES	1	52.6863	59.0504	65.7803	HAL3	966	0	0	0	0.09	
-968	H12	SLES	1	54.1429	59.7117	64.9413	HAL3	966	0	0	0	0.09	
-969	H12	SLES	1	52.6177	60.6772	64.9988	HAL3	966	0	0	0	0.09	
-970	NA	SLES	1	47.3146	73.8598	85.3047	NA	0	0	0	0	1	
-971	S	SLES	1	45.7144	75.4103	82.4089	SL	972	973	974	975	1.33	
-972	OS1	SLES	1	46.5156	73.9393	82.373	OSL	971	976	0	0	-0.28	
-973	OS2	SLES	1	44.6651	75.2798	83.3985	O2L	971	0	0	0	-0.65	
-974	OS3	SLES	1	46.6872	76.3883	82.8491	O2L	971	0	0	0	-0.65	
-975	OS4	SLES	1	45.1452	75.8179	81.1344	O2L	971	0	0	0	-0.65	
-976	C2	SLES	1	46.2977	73.2648	81.0623	CC32A	972	977	978	979	-0.11	
-977	H2A	SLES	1	45.1977	73.1531	80.8513	HCA2	976	0	0	0	0.09	
-978	H2B	SLES	1	46.7617	73.8957	80.2544	HCA2	976	0	0	0	0.09	
-979	C1	SLES	1	46.9922	71.8213	81.0875	CC32A	976	980	981	982	-0.01	
-980	H1B	SLES	1	46.5971	71.2255	81.9422	HCA2	979	0	0	0	0.09	
-981	H1A	SLES	1	48.0951	71.933	81.2064	HCA2	979	0	0	0	0.09	
-982	O1	SLES	1	46.8385	70.9046	79.9412	OC30A	979	983	0	0	-0.34	
-983	C2	SLES	1	46.4124	71.4949	78.6951	CC32A	982	984	985	986	-0.01	
-984	H2A	SLES	1	45.425	71.9143	78.9705	HCA2	983	0	0	0	0.09	
-985	H2B	SLES	1	47.1348	72.3323	78.5673	HCA2	983	0	0	0	0.09	
-986	C1	SLES	1	46.2858	70.7026	77.3559	CC32A	983	987	988	989	-0.01	
-987	H1B	SLES	1	45.256	70.2955	77.2569	HCA2	986	0	0	0	0.09	
-988	H1A	SLES	1	46.4803	71.3871	76.5061	HCA2	986	0	0	0	0.09	
-989	O1	SLES	1	47.0633	69.4986	77.0582	OC30A	986	990	0	0	-0.34	
-990	C1	SLES	1	47.3558	69.2831	75.6292	CTL2	989	991	992	993	-0.18	
-991	H11	SLES	1	46.7451	70.0062	75.0589	HAL2	990	0	0	0	0.09	
-992	H12	SLES	1	48.4192	69.5952	75.5758	HAL2	990	0	0	0	0.09	
-993	C2	SLES	1	47.1892	67.8408	75.0059	CTL2	990	994	995	996	-0.18	
-994	H21	SLES	1	46.8093	67.147	75.7888	HAL2	993	0	0	0	0.09	
-995	H22	SLES	1	48.1852	67.4725	74.6759	HAL2	993	0	0	0	0.09	
-996	C3	SLES	1	46.181	67.8235	73.7562	CTL2	993	997	998	999	-0.18	
-997	H31	SLES	1	45.2094	67.3896	74.0819	HAL2	996	0	0	0	0.09	
-998	H32	SLES	1	45.9947	68.8655	73.4278	HAL2	996	0	0	0	0.09	
-999	C4	SLES	1	46.7313	66.9874	72.5274	CTL2	996	1000	1001	1002	-0.18	
-1000	H41	SLES	1	46.2249	65.9997	72.5087	HAL2	999	0	0	0	0.09	
-1001	H42	SLES	1	47.82	66.8113	72.664	HAL2	999	0	0	0	0.09	
-1002	C5	SLES	1	46.4962	67.7211	71.1304	CTL2	999	1003	1004	1005	-0.18	
-1003	H51	SLES	1	45.7158	68.5034	71.2581	HAL2	1002	0	0	0	0.09	
-1004	H52	SLES	1	47.4402	68.2264	70.823	HAL2	1002	0	0	0	0.09	
-1005	C6	SLES	1	46.0473	66.735	69.9871	CTL2	1002	1006	1007	1008	-0.18	
-1006	H61	SLES	1	44.9973	66.4161	70.1746	HAL2	1005	0	0	0	0.09	
-1007	H62	SLES	1	46.0726	67.2755	69.0121	HAL2	1005	0	0	0	0.09	
-1008	C7	SLES	1	46.9546	65.4679	69.8895	CTL2	1005	1009	1010	1011	-0.18	
-1009	H71	SLES	1	46.6354	64.7328	70.6612	HAL2	1008	0	0	0	0.09	
-1010	H72	SLES	1	48.0074	65.7568	70.105	HAL2	1008	0	0	0	0.09	
-1011	C8	SLES	1	46.891	64.7943	68.4961	CTL2	1008	1012	1013	1014	-0.18	
-1012	H81	SLES	1	45.8258	64.7104	68.1804	HAL2	1011	0	0	0	0.09	
-1013	H82	SLES	1	47.4196	65.4378	67.7564	HAL2	1011	0	0	0	0.09	
-1014	C9	SLES	1	47.5331	63.3843	68.4906	CTL2	1011	1015	1016	1017	-0.18	
-1015	H91	SLES	1	47.0236	62.7504	69.2514	HAL2	1014	0	0	0	0.09	
-1016	H92	SLES	1	48.6048	63.4725	68.7791	HAL2	1014	0	0	0	0.09	
-1017	C10	SLES	1	47.4373	62.6912	67.1108	CTL2	1014	1018	1019	1020	-0.18	
-1018	H10	SLES	1	46.3643	62.5817	66.8326	HAL2	1017	0	0	0	0.09	
-1019	H10	SLES	1	47.9272	63.335	66.3456	HAL2	1017	0	0	0	0.09	
-1020	C11	SLES	1	48.1084	61.2921	67.1008	CTL2	1017	1021	1022	1023	-0.18	
-1021	H11	SLES	1	47.6105	60.6499	67.8629	HAL2	1020	0	0	0	0.09	
-1022	H11	SLES	1	49.1764	61.4044	67.3971	HAL2	1020	0	0	0	0.09	
-1023	C12	SLES	1	48.0437	60.5777	65.7261	CTL3	1020	1024	1025	1026	-0.27	
-1024	H12	SLES	1	47.507	59.6078	65.8194	HAL3	1023	0	0	0	0.09	
-1025	H12	SLES	1	49.0698	60.3796	65.3447	HAL3	1023	0	0	0	0.09	
-1026	H12	SLES	1	47.5066	61.2101	64.9861	HAL3	1023	0	0	0	0.09	
-1027	NA	SLES	1	36.4815	70.3919	85.4536	NA	0	0	0	0	1	
-1028	S	SLES	1	35.4709	72.0678	82.3681	SL	1029	1030	1031	1032	1.33	
-1029	OS1	SLES	1	36.391	70.6688	82.428	OSL	1028	1033	0	0	-0.28	
-1030	OS2	SLES	1	34.235	71.7738	83.0634	O2L	1028	0	0	0	-0.65	
-1031	OS3	SLES	1	36.2179	73.0726	83.0954	O2L	1028	0	0	0	-0.65	
-1032	OS4	SLES	1	35.1824	72.5423	81.0242	O2L	1028	0	0	0	-0.65	
-1033	C2	SLES	1	36.5511	70.0975	81.0611	CC32A	1029	1034	1035	1036	-0.11	
-1034	H2A	SLES	1	35.5468	69.9238	80.5832	HCA2	1033	0	0	0	0.09	
-1035	H2B	SLES	1	37.1316	70.8293	80.4338	HCA2	1033	0	0	0	0.09	
-1036	C1	SLES	1	37.3509	68.7126	81.1561	CC32A	1033	1037	1038	1039	-0.01	
-1037	H1B	SLES	1	36.8228	68.0167	81.8477	HCA2	1036	0	0	0	0.09	
-1038	H1A	SLES	1	38.3796	68.8946	81.5455	HCA2	1036	0	0	0	0.09	
-1039	O1	SLES	1	37.557	67.8911	79.9476	OC30A	1036	1040	0	0	-0.34	
-1040	C2	SLES	1	37.3832	68.5552	78.6782	CC32A	1039	1041	1042	1043	-0.01	
-1041	H2A	SLES	1	36.3242	68.8748	78.7342	HCA2	1040	0	0	0	0.09	
-1042	H2B	SLES	1	38.0346	69.4517	78.7856	HCA2	1040	0	0	0	0.09	
-1043	C1	SLES	1	37.6493	67.8761	77.2979	CC32A	1040	1044	1045	1046	-0.01	
-1044	H1B	SLES	1	36.714	67.4043	76.9255	HCA2	1043	0	0	0	0.09	
-1045	H1A	SLES	1	37.974	68.645	76.5684	HCA2	1043	0	0	0	0.09	
-1046	O1	SLES	1	38.5832	66.7636	77.1165	OC30A	1043	1047	0	0	-0.34	
-1047	C1	SLES	1	39.2224	66.6964	75.7895	CTL2	1046	1048	1049	1050	-0.18	
-1048	H11	SLES	1	38.6987	67.4196	75.1385	HAL2	1047	0	0	0	0.09	
-1049	H12	SLES	1	40.2349	67.0897	76.0162	HAL2	1047	0	0	0	0.09	
-1050	C2	SLES	1	39.3417	65.306	75.0487	CTL2	1047	1051	1052	1053	-0.18	
-1051	H21	SLES	1	38.8542	64.52	75.6679	HAL2	1050	0	0	0	0.09	
-1052	H22	SLES	1	40.4171	65.0426	74.9454	HAL2	1050	0	0	0	0.09	
-1053	C3	SLES	1	38.6618	65.3238	73.594	CTL2	1050	1054	1055	1056	-0.18	
-1054	H31	SLES	1	37.6854	64.7924	73.6451	HAL2	1053	0	0	0	0.09	
-1055	H32	SLES	1	38.4623	66.3739	73.3013	HAL2	1053	0	0	0	0.09	
-1056	C4	SLES	1	39.5609	64.6415	72.4813	CTL2	1053	1057	1058	1059	-0.18	
-1057	H41	SLES	1	39.167	63.6246	72.2742	HAL2	1056	0	0	0	0.09	
-1058	H42	SLES	1	40.5984	64.5351	72.865	HAL2	1056	0	0	0	0.09	
-1059	C5	SLES	1	39.5942	65.4755	71.1217	CTL2	1056	1060	1061	1062	-0.18	
-1060	H51	SLES	1	38.7366	66.1838	71.1093	HAL2	1059	0	0	0	0.09	
-1061	H52	SLES	1	40.533	66.0742	71.0866	HAL2	1059	0	0	0	0.09	
-1062	C6	SLES	1	39.5203	64.5629	69.84	CTL2	1059	1063	1064	1065	-0.18	
-1063	H61	SLES	1	38.49	64.1521	69.746	HAL2	1062	0	0	0	0.09	
-1064	H62	SLES	1	39.7242	65.1872	68.9388	HAL2	1062	0	0	0	0.09	
-1065	C7	SLES	1	40.5386	63.3798	69.8795	CTL2	1062	1066	1067	1068	-0.18	
-1066	H71	SLES	1	40.1163	62.5583	70.4998	HAL2	1065	0	0	0	0.09	
-1067	H72	SLES	1	41.4797	63.7256	70.3623	HAL2	1065	0	0	0	0.09	
-1068	C8	SLES	1	40.8674	62.8281	68.47	CTL2	1065	1069	1070	1071	-0.18	
-1069	H81	SLES	1	39.9189	62.6937	67.9011	HAL2	1068	0	0	0	0.09	
-1070	H82	SLES	1	41.4932	63.5712	67.9252	HAL2	1068	0	0	0	0.09	
-1071	C9	SLES	1	41.6207	61.4753	68.5249	CTL2	1068	1072	1073	1074	-0.18	
-1072	H91	SLES	1	41.0074	60.7412	69.0954	HAL2	1071	0	0	0	0.09	
-1073	H92	SLES	1	42.5814	61.6168	69.0694	HAL2	1071	0	0	0	0.09	
-1074	C10	SLES	1	41.9169	60.9005	67.1195	CTL2	1071	1075	1076	1077	-0.18	
-1075	H10	SLES	1	40.9544	60.7369	66.5832	HAL2	1074	0	0	0	0.09	
-1076	H10	SLES	1	42.5112	61.6433	66.5407	HAL2	1074	0	0	0	0.09	
-1077	C11	SLES	1	42.6983	59.5611	67.1778	CTL2	1074	1078	1079	1080	-0.18	
-1078	H11	SLES	1	42.0968	58.8195	67.7518	HAL2	1077	0	0	0	0.09	
-1079	H11	SLES	1	43.6514	59.7256	67.7306	HAL2	1077	0	0	0	0.09	
-1080	C12	SLES	1	43.0254	58.9671	65.7834	CTL3	1077	1081	1082	1083	-0.27	
-1081	H12	SLES	1	42.5741	57.9558	65.6785	HAL3	1080	0	0	0	0.09	
-1082	H12	SLES	1	44.1262	58.8796	65.649	HAL3	1080	0	0	0	0.09	
-1083	H12	SLES	1	42.6213	59.6206	64.9797	HAL3	1080	0	0	0	0.09	
-1084	NA	SLES	1	28.0537	62.7499	85.3336	NA	0	0	0	0	1	
-1085	S	SLES	1	27.4516	64.87	82.4193	SL	1086	1087	1088	1089	1.33	
-1086	OS1	SLES	1	28.4802	63.5475	82.4316	OSL	1085	1090	0	0	-0.28	
-1087	OS2	SLES	1	26.1464	64.3759	82.8061	O2L	1085	0	0	0	-0.65	
-1088	OS3	SLES	1	27.9526	65.7794	83.4286	O2L	1085	0	0	0	-0.65	
-1089	OS4	SLES	1	27.3631	65.5528	81.1385	O2L	1085	0	0	0	-0.65	
-1090	C2	SLES	1	28.9387	63.2375	81.0481	CC32A	1086	1091	1092	1093	-0.11	
-1091	H2A	SLES	1	28.0587	63.0832	80.3633	HCA2	1090	0	0	0	0.09	
-1092	H2B	SLES	1	29.5468	64.1056	80.6704	HCA2	1090	0	0	0	0.09	
-1093	C1	SLES	1	29.8419	61.9146	81.0733	CC32A	1090	1094	1095	1096	-0.01	
-1094	H1B	SLES	1	29.2701	61.0739	81.5292	HCA2	1093	0	0	0	0.09	
-1095	H1A	SLES	1	30.761	62.0942	81.6785	HCA2	1093	0	0	0	0.09	
-1096	O1	SLES	1	30.3419	61.334	79.812	OC30A	1093	1097	0	0	-0.34	
-1097	C2	SLES	1	30.3335	62.1977	78.6559	CC32A	1096	1098	1099	1100	-0.01	
-1098	H2A	SLES	1	29.2552	62.4304	78.5562	HCA2	1097	0	0	0	0.09	
-1099	H2B	SLES	1	30.8628	63.1031	79.0293	HCA2	1097	0	0	0	0.09	
-1100	C1	SLES	1	30.9089	61.7913	77.2627	CC32A	1097	1101	1102	1103	-0.01	
-1101	H1B	SLES	1	30.107	61.3304	76.6457	HCA2	1100	0	0	0	0.09	
-1102	H1A	SLES	1	31.2811	62.6965	76.7424	HCA2	1100	0	0	0	0.09	
-1103	O1	SLES	1	31.9659	60.7935	77.09	OC30A	1100	1104	0	0	-0.34	
-1104	C1	SLES	1	32.8361	61.0038	75.9184	CTL2	1103	1105	1106	1107	-0.18	
-1105	H11	SLES	1	32.3685	61.7932	75.3026	HAL2	1104	0	0	0	0.09	
-1106	H12	SLES	1	33.7475	61.4184	76.3967	HAL2	1104	0	0	0	0.09	
-1107	C2	SLES	1	33.2237	59.7764	75.002	CTL2	1104	1108	1109	1110	-0.18	
-1108	H21	SLES	1	32.7135	58.8629	75.3813	HAL2	1107	0	0	0	0.09	
-1109	H22	SLES	1	34.3209	59.6083	75.0681	HAL2	1107	0	0	0	0.09	
-1110	C3	SLES	1	32.8174	60.0038	73.4652	CTL2	1107	1111	1112	1113	-0.18	
-1111	H31	SLES	1	31.9053	59.4072	73.2406	HAL2	1110	0	0	0	0.09	
-1112	H32	SLES	1	32.5703	61.0732	73.3112	HAL2	1110	0	0	0	0.09	
-1113	C4	SLES	1	33.9646	59.5899	72.453	CTL2	1110	1114	1115	1116	-0.18	
-1114	H41	SLES	1	33.717	58.6011	72.0137	HAL2	1113	0	0	0	0.09	
-1115	H42	SLES	1	34.9218	59.4879	73.0082	HAL2	1113	0	0	0	0.09	
-1116	C5	SLES	1	34.1582	60.6502	71.2769	CTL2	1113	1117	1118	1119	-0.18	
-1117	H51	SLES	1	33.2507	61.2903	71.2121	HAL2	1116	0	0	0	0.09	
-1118	H52	SLES	1	35.024	61.3076	71.5203	HAL2	1116	0	0	0	0.09	
-1119	C6	SLES	1	34.4063	59.9742	69.8759	CTL2	1116	1120	1121	1122	-0.18	
-1120	H61	SLES	1	33.4554	59.5179	69.5198	HAL2	1119	0	0	0	0.09	
-1121	H62	SLES	1	34.7055	60.7595	69.1429	HAL2	1119	0	0	0	0.09	
-1122	C7	SLES	1	35.5133	58.8739	69.922	CTL2	1119	1123	1124	1125	-0.18	
-1123	H71	SLES	1	35.0703	57.9297	70.3092	HAL2	1122	0	0	0	0.09	
-1124	H72	SLES	1	36.3135	59.1921	70.6268	HAL2	1122	0	0	0	0.09	
-1125	C8	SLES	1	36.1426	58.602	68.533	CTL2	1122	1126	1127	1128	-0.18	
-1126	H81	SLES	1	35.3296	58.5061	67.7773	HAL2	1125	0	0	0	0.09	
-1127	H82	SLES	1	36.779	59.4697	68.2457	HAL2	1125	0	0	0	0.09	
-1128	C9	SLES	1	37.0043	57.3145	68.5156	CTL2	1125	1129	1130	1131	-0.18	
-1129	H91	SLES	1	36.3746	56.4519	68.8317	HAL2	1128	0	0	0	0.09	
-1130	H92	SLES	1	37.8329	57.4225	69.2512	HAL2	1128	0	0	0	0.09	
-1131	C10	SLES	1	37.6033	57.017	67.1206	CTL2	1128	1132	1133	1134	-0.18	
-1132	H10	SLES	1	36.7736	56.8857	66.389	HAL2	1131	0	0	0	0.09	
-1133	H10	SLES	1	38.2151	57.8883	66.7942	HAL2	1131	0	0	0	0.09	
-1134	C11	SLES	1	38.4905	55.7439	67.114	CTL2	1131	1135	1136	1137	-0.18	
-1135	H11	SLES	1	37.8724	54.8742	67.4346	HAL2	1134	0	0	0	0.09	
-1136	H11	SLES	1	39.3079	55.8726	67.8599	HAL2	1134	0	0	0	0.09	
-1137	C12	SLES	1	39.1196	55.4277	65.7325	CTL3	1134	1138	1139	1140	-0.27	
-1138	H12	SLES	1	38.7971	54.4225	65.3819	HAL3	1137	0	0	0	0.09	
-1139	H12	SLES	1	40.2299	55.4395	65.8016	HAL3	1137	0	0	0	0.09	
-1140	H12	SLES	1	38.8034	56.1835	64.981	HAL3	1137	0	0	0	0.09	
-1141	NA	SLES	1	23.5522	52.3386	84.9652	NA	0	0	0	0	1	
-1142	S	SLES	1	23.0226	55.0321	82.5538	SL	1143	1144	1145	1146	1.33	
-1143	OS1	SLES	1	24.1669	53.8202	82.3832	OSL	1142	1147	0	0	-0.28	
-1144	OS2	SLES	1	21.7402	54.3694	82.6712	O2L	1142	0	0	0	-0.65	
-1145	OS3	SLES	1	23.3394	55.714	83.7912	O2L	1142	0	0	0	-0.65	
-1146	OS4	SLES	1	22.9881	55.987	81.4576	O2L	1142	0	0	0	-0.65	
-1147	C2	SLES	1	24.7786	53.8753	81.0256	CC32A	1143	1148	1149	1150	-0.11	
-1148	H2A	SLES	1	23.9843	53.8228	80.2297	HCA2	1147	0	0	0	0.09	
-1149	H2B	SLES	1	25.3335	54.8488	80.9231	HCA2	1147	0	0	0	0.09	
-1150	C1	SLES	1	25.7975	52.6511	80.8535	CC32A	1147	1151	1152	1153	-0.01	
-1151	H1B	SLES	1	25.2686	51.6885	81.0418	HCA2	1150	0	0	0	0.09	
-1152	H1A	SLES	1	26.6354	52.7495	81.5824	HCA2	1150	0	0	0	0.09	
-1153	O1	SLES	1	26.4647	52.4183	79.5579	OC30A	1150	1154	0	0	-0.34	
-1154	C2	SLES	1	26.4809	53.5252	78.6321	CC32A	1153	1155	1156	1157	-0.01	
-1155	H2A	SLES	1	25.3992	53.6971	78.4674	HCA2	1154	0	0	0	0.09	
-1156	H2B	SLES	1	26.8849	54.3538	79.2563	HCA2	1154	0	0	0	0.09	
-1157	C1	SLES	1	27.2185	53.4975	77.2564	CC32A	1154	1158	1159	1160	-0.01	
-1158	H1B	SLES	1	26.5246	53.1374	76.466	HCA2	1157	0	0	0	0.09	
-1159	H1A	SLES	1	27.5493	54.5234	76.998	HCA2	1157	0	0	0	0.09	
-1160	O1	SLES	1	28.3771	52.6457	76.983	OC30A	1157	1161	0	0	-0.34	
-1161	C1	SLES	1	29.3278	53.1853	75.9936	CTL2	1160	1162	1163	1164	-0.18	
-1162	H11	SLES	1	28.8461	54.0613	75.5228	HAL2	1161	0	0	0	0.09	
-1163	H12	SLES	1	30.1475	53.5408	76.6516	HAL2	1161	0	0	0	0.09	
-1164	C2	SLES	1	29.9134	52.2368	74.8738	CTL2	1161	1165	1166	1167	-0.18	
-1165	H21	SLES	1	29.4597	51.2259	74.9785	HAL2	1164	0	0	0	0.09	
-1166	H22	SLES	1	31.0109	52.1367	75.0226	HAL2	1164	0	0	0	0.09	
-1167	C3	SLES	1	29.6309	52.7872	73.392	CTL2	1164	1168	1169	1170	-0.18	
-1168	H31	SLES	1	28.8044	52.1959	72.9385	HAL2	1167	0	0	0	0.09	
-1169	H32	SLES	1	29.2985	53.8425	73.4558	HAL2	1167	0	0	0	0.09	
-1170	C4	SLES	1	30.9009	52.7041	72.4474	CTL2	1167	1171	1172	1173	-0.18	
-1171	H41	SLES	1	30.7902	51.8301	71.7721	HAL2	1170	0	0	0	0.09	
-1172	H42	SLES	1	31.8081	52.5438	73.0688	HAL2	1170	0	0	0	0.09	
-1173	C5	SLES	1	31.1004	54.0207	71.569	CTL2	1170	1174	1175	1176	-0.18	
-1174	H51	SLES	1	30.146	54.5918	71.5488	HAL2	1173	0	0	0	0.09	
-1175	H52	SLES	1	31.8735	54.6632	72.0492	HAL2	1173	0	0	0	0.09	
-1176	C6	SLES	1	31.54	53.7101	70.0886	CTL2	1173	1177	1178	1179	-0.18	
-1177	H61	SLES	1	30.6739	53.2829	69.535	HAL2	1176	0	0	0	0.09	
-1178	H62	SLES	1	31.8294	54.6641	69.5891	HAL2	1176	0	0	0	0.09	
-1179	C7	SLES	1	32.7377	52.7114	70.0096	CTL2	1176	1180	1181	1182	-0.18	
-1180	H71	SLES	1	32.3527	51.6736	70.1225	HAL2	1179	0	0	0	0.09	
-1181	H72	SLES	1	33.4355	52.9125	70.8527	HAL2	1179	0	0	0	0.09	
-1182	C8	SLES	1	33.5156	52.8169	68.6743	CTL2	1179	1183	1184	1185	-0.18	
-1183	H81	SLES	1	32.7887	52.8424	67.8303	HAL2	1182	0	0	0	0.09	
-1184	H82	SLES	1	34.0903	53.7709	68.6624	HAL2	1182	0	0	0	0.09	
-1185	C9	SLES	1	34.4939	51.634	68.4642	CTL2	1182	1186	1187	1188	-0.18	
-1186	H91	SLES	1	33.9227	50.6788	68.5058	HAL2	1185	0	0	0	0.09	
-1187	H92	SLES	1	35.237	51.6261	69.2931	HAL2	1185	0	0	0	0.09	
-1188	C10	SLES	1	35.2447	51.714	67.1139	CTL2	1185	1189	1190	1191	-0.18	
-1189	H10	SLES	1	34.5024	51.6983	66.2835	HAL2	1188	0	0	0	0.09	
-1190	H10	SLES	1	35.7982	52.6788	67.0623	HAL2	1188	0	0	0	0.09	
-1191	C11	SLES	1	36.2459	50.5444	66.9205	CTL2	1188	1192	1193	1194	-0.18	
-1192	H11	SLES	1	35.6865	49.582	66.9661	HAL2	1191	0	0	0	0.09	
-1193	H11	SLES	1	36.975	50.5533	67.7627	HAL2	1191	0	0	0	0.09	
-1194	C12	SLES	1	37.0271	50.6052	65.5824	CTL3	1191	1195	1196	1197	-0.27	
-1195	H12	SLES	1	36.8355	49.6893	64.9809	HAL3	1194	0	0	0	0.09	
-1196	H12	SLES	1	38.12	50.6798	65.776	HAL3	1194	0	0	0	0.09	
-1197	H12	SLES	1	36.7111	51.491	64.9896	HAL3	1194	0	0	0	0.09	
-1198	NA	SLES	1	23.7358	41.0615	84.4123	NA	0	0	0	0	1	
-1199	S	SLES	1	22.9581	44.22	82.7482	SL	1200	1201	1202	1203	1.33	
-1200	OS1	SLES	1	24.1974	43.1893	82.2912	OSL	1199	1204	0	0	-0.28	
-1201	OS2	SLES	1	21.7367	43.4446	82.6819	O2L	1199	0	0	0	-0.65	
-1202	OS3	SLES	1	23.2301	44.5936	84.1205	O2L	1199	0	0	0	-0.65	
-1203	OS4	SLES	1	22.8325	45.4131	81.9264	O2L	1199	0	0	0	-0.65	
-1204	C2	SLES	1	24.788	43.6341	80.9975	CC32A	1200	1205	1206	1207	-0.11	
-1205	H2A	SLES	1	23.9924	43.7169	80.2055	HCA2	1204	0	0	0	0.09	
-1206	H2B	SLES	1	25.2587	44.6448	81.1484	HCA2	1204	0	0	0	0.09	
-1207	C1	SLES	1	25.9033	42.5814	80.5346	CC32A	1204	1208	1209	1210	-0.01	
-1208	H1B	SLES	1	25.4586	41.5618	80.4698	HCA2	1207	0	0	0	0.09	
-1209	H1A	SLES	1	26.7379	42.5633	81.2737	HCA2	1207	0	0	0	0.09	
-1210	O1	SLES	1	26.5738	42.7376	79.2292	OC30A	1207	1211	0	0	-0.34	
-1211	C2	SLES	1	26.488	44.0387	78.6109	CC32A	1210	1212	1213	1214	-0.01	
-1212	H2A	SLES	1	25.394	44.1557	78.4832	HCA2	1211	0	0	0	0.09	
-1213	H2B	SLES	1	26.8281	44.7149	79.4273	HCA2	1211	0	0	0	0.09	
-1214	C1	SLES	1	27.2106	44.4186	77.2803	CC32A	1211	1215	1216	1217	-0.01	
-1215	H1B	SLES	1	26.5407	44.2117	76.4174	HCA2	1214	0	0	0	0.09	
-1216	H1A	SLES	1	27.4521	45.5003	77.291	HCA2	1214	0	0	0	0.09	
-1217	O1	SLES	1	28.4332	43.7621	76.8142	OC30A	1214	1218	0	0	-0.34	
-1218	C1	SLES	1	29.3251	44.61	76.002	CTL2	1217	1219	1220	1221	-0.18	
-1219	H11	SLES	1	28.767	45.5328	75.7609	HAL2	1218	0	0	0	0.09	
-1220	H12	SLES	1	30.1192	44.856	76.7368	HAL2	1218	0	0	0	0.09	
-1221	C2	SLES	1	29.9757	44.0249	74.6864	CTL2	1218	1222	1223	1224	-0.18	
-1222	H21	SLES	1	29.6089	42.9859	74.5292	HAL2	1221	0	0	0	0.09	
-1223	H22	SLES	1	31.0792	43.9825	74.8169	HAL2	1221	0	0	0	0.09	
-1224	C3	SLES	1	29.6325	44.9039	73.3871	CTL2	1221	1225	1226	1227	-0.18	
-1225	H31	SLES	1	28.8534	44.3786	72.791	HAL2	1224	0	0	0	0.09	
-1226	H32	SLES	1	29.2141	45.878	73.71	HAL2	1224	0	0	0	0.09	
-1227	C4	SLES	1	30.8949	45.1665	72.4654	CTL2	1224	1228	1229	1230	-0.18	
-1228	H41	SLES	1	30.8502	44.4838	71.5913	HAL2	1227	0	0	0	0.09	
-1229	H42	SLES	1	31.8189	44.9316	73.0364	HAL2	1227	0	0	0	0.09	
-1230	C5	SLES	1	30.9747	46.6734	71.9475	CTL2	1227	1231	1232	1233	-0.18	
-1231	H51	SLES	1	29.9759	47.1496	72.0611	HAL2	1230	0	0	0	0.09	
-1232	H52	SLES	1	31.6966	47.2369	72.5818	HAL2	1230	0	0	0	0.09	
-1233	C6	SLES	1	31.4229	46.7817	70.4413	CTL2	1230	1234	1235	1236	-0.18	
-1234	H61	SLES	1	30.5895	46.4365	69.7891	HAL2	1233	0	0	0	0.09	
-1235	H62	SLES	1	31.6265	47.8513	70.2003	HAL2	1233	0	0	0	0.09	
-1236	C7	SLES	1	32.6987	45.9382	70.127	CTL2	1233	1237	1238	1239	-0.18	
-1237	H71	SLES	1	32.4027	44.8769	69.9719	HAL2	1236	0	0	0	0.09	
-1238	H72	SLES	1	33.3863	45.9787	71.0011	HAL2	1236	0	0	0	0.09	
-1239	C8	SLES	1	33.4509	46.4398	68.8693	CTL2	1236	1240	1241	1242	-0.18	
-1240	H81	SLES	1	32.7154	46.6155	68.051	HAL2	1239	0	0	0	0.09	
-1241	H82	SLES	1	33.944	47.4107	69.1032	HAL2	1239	0	0	0	0.09	
-1242	C9	SLES	1	34.522	45.4331	68.3796	CTL2	1239	1243	1244	1245	-0.18	
-1243	H91	SLES	1	34.0328	44.4538	68.1741	HAL2	1242	0	0	0	0.09	
-1244	H92	SLES	1	35.272	45.2794	69.1878	HAL2	1242	0	0	0	0.09	
-1245	C10	SLES	1	35.2491	45.9116	67.1006	CTL2	1242	1246	1247	1248	-0.18	
-1246	H10	SLES	1	34.5019	46.0429	66.285	HAL2	1245	0	0	0	0.09	
-1247	H10	SLES	1	35.7198	46.9011	67.2986	HAL2	1245	0	0	0	0.09	
-1248	C11	SLES	1	36.3421	44.9155	66.6306	CTL2	1245	1249	1250	1251	-0.18	
-1249	H11	SLES	1	35.8653	43.9293	66.4274	HAL2	1248	0	0	0	0.09	
-1250	H11	SLES	1	37.0769	44.7735	67.4558	HAL2	1248	0	0	0	0.09	
-1251	C12	SLES	1	37.1013	45.3749	65.359	CTL3	1248	1252	1253	1254	-0.27	
-1252	H12	SLES	1	36.9803	44.6265	64.545	HAL3	1251	0	0	0	0.09	
-1253	H12	SLES	1	38.1862	45.4893	65.5767	HAL3	1251	0	0	0	0.09	
-1254	H12	SLES	1	36.7063	46.3516	65.004	HAL3	1251	0	0	0	0.09	
-1255	NA	SLES	1	28.483	30.9231	83.7704	NA	0	0	0	0	1	
-1256	S	SLES	1	27.3007	34.2861	82.969	SL	1257	1258	1259	1260	1.33	
-1257	OS1	SLES	1	28.5516	33.5074	82.1716	OSL	1256	1261	0	0	-0.28	
-1258	OS2	SLES	1	26.138	33.4328	82.8365	O2L	1256	0	0	0	-0.65	
-1259	OS3	SLES	1	27.697	34.3658	84.3594	O2L	1256	0	0	0	-0.65	
-1260	OS4	SLES	1	26.9992	35.6159	82.4637	O2L	1256	0	0	0	-0.65	
-1261	C2	SLES	1	28.9606	34.2858	80.9686	CC32A	1257	1262	1263	1264	-0.11	
-1262	H2A	SLES	1	28.0776	34.4685	80.2947	HCA2	1261	0	0	0	0.09	
-1263	H2B	SLES	1	29.3719	35.2769	81.3072	HCA2	1261	0	0	0	0.09	
-1264	C1	SLES	1	30.0895	33.4753	80.1717	CC32A	1261	1265	1266	1267	-0.01	
-1265	H1B	SLES	1	29.7142	32.4588	79.912	HCA2	1264	0	0	0	0.09	
-1266	H1A	SLES	1	31.0006	33.371	80.8059	HCA2	1264	0	0	0	0.09	
-1267	O1	SLES	1	30.5971	33.984	78.8828	OC30A	1264	1268	0	0	-0.34	
-1268	C2	SLES	1	30.35	35.3766	78.5961	CC32A	1267	1269	1270	1271	-0.01	
-1269	H2A	SLES	1	29.243	35.4147	78.6007	HCA2	1268	0	0	0	0.09	
-1270	H2B	SLES	1	30.7301	35.8812	79.5128	HCA2	1268	0	0	0	0.09	
-1271	C1	SLES	1	30.8904	36.1131	77.33	CC32A	1268	1272	1273	1274	-0.01	
-1272	H1B	SLES	1	30.1448	36.0427	76.5083	HCA2	1271	0	0	0	0.09	
-1273	H1A	SLES	1	31.0537	37.1826	77.5707	HCA2	1271	0	0	0	0.09	
-1274	O1	SLES	1	32.0969	35.6977	76.6127	OC30A	1271	1275	0	0	-0.34	
-1275	C1	SLES	1	32.8296	36.7874	75.9421	CTL2	1274	1276	1277	1278	-0.18	
-1276	H11	SLES	1	32.1837	37.6834	75.9758	HAL2	1275	0	0	0	0.09	
-1277	H12	SLES	1	33.6813	36.9364	76.6376	HAL2	1275	0	0	0	0.09	
-1278	C2	SLES	1	33.3692	36.5778	74.472	CTL2	1275	1279	1280	1281	-0.18	
-1279	H21	SLES	1	33.0623	35.5707	74.1111	HAL2	1278	0	0	0	0.09	
-1280	H22	SLES	1	34.4806	36.6124	74.4866	HAL2	1278	0	0	0	0.09	
-1281	C3	SLES	1	32.8212	37.6897	73.4513	CTL2	1278	1282	1283	1284	-0.18	
-1282	H31	SLES	1	32.0198	37.2402	72.8235	HAL2	1281	0	0	0	0.09	
-1283	H32	SLES	1	32.373	38.5218	74.03	HAL2	1281	0	0	0	0.09	
-1284	C4	SLES	1	33.9506	38.2718	72.5039	CTL2	1281	1285	1286	1287	-0.18	
-1285	H41	SLES	1	33.8574	37.8021	71.5025	HAL2	1284	0	0	0	0.09	
-1286	H42	SLES	1	34.947	38.0036	72.9164	HAL2	1284	0	0	0	0.09	
-1287	C5	SLES	1	33.8643	39.8571	72.3471	CTL2	1284	1288	1289	1290	-0.18	
-1288	H51	SLES	1	32.853	40.1983	72.6605	HAL2	1287	0	0	0	0.09	
-1289	H52	SLES	1	34.6105	40.3297	73.026	HAL2	1287	0	0	0	0.09	
-1290	C6	SLES	1	34.1324	40.3435	70.8731	CTL2	1287	1291	1292	1293	-0.18	
-1291	H61	SLES	1	33.2582	40.076	70.2381	HAL2	1290	0	0	0	0.09	
-1292	H62	SLES	1	34.2309	41.4543	70.8708	HAL2	1290	0	0	0	0.09	
-1293	C7	SLES	1	35.4221	39.7176	70.2541	CTL2	1290	1294	1295	1296	-0.18	
-1294	H71	SLES	1	35.1872	38.6952	69.8835	HAL2	1293	0	0	0	0.09	
-1295	H72	SLES	1	36.1984	39.6259	71.0462	HAL2	1293	0	0	0	0.09	
-1296	C8	SLES	1	35.9912	40.5584	69.0843	CTL2	1293	1297	1298	1299	-0.18	
-1297	H81	SLES	1	35.1583	40.8429	68.4012	HAL2	1296	0	0	0	0.09	
-1298	H82	SLES	1	36.4368	41.4943	69.492	HAL2	1296	0	0	0	0.09	
-1299	C9	SLES	1	37.07	39.7943	68.2764	CTL2	1296	1300	1301	1302	-0.18	
-1300	H91	SLES	1	36.6321	38.8444	67.894	HAL2	1299	0	0	0	0.09	
-1301	H92	SLES	1	37.9147	39.535	68.9536	HAL2	1299	0	0	0	0.09	
-1302	C10	SLES	1	37.6136	40.6152	67.083	CTL2	1299	1303	1304	1305	-0.18	
-1303	H10	SLES	1	36.7725	40.8548	66.3932	HAL2	1302	0	0	0	0.09	
-1304	H10	SLES	1	38.0316	41.5751	67.4623	HAL2	1302	0	0	0	0.09	
-1305	C11	SLES	1	38.7156	39.8589	66.2945	CTL2	1302	1306	1307	1308	-0.18	
-1306	H11	SLES	1	38.2907	38.9029	65.9115	HAL2	1305	0	0	0	0.09	
-1307	H11	SLES	1	39.5462	39.6057	66.9923	HAL2	1305	0	0	0	0.09	
-1308	C12	SLES	1	39.2931	40.6627	65.1008	CTL3	1305	1309	1310	1311	-0.27	
-1309	H12	SLES	1	39.1356	40.1085	64.1493	HAL3	1308	0	0	0	0.09	
-1310	H12	SLES	1	40.3846	40.828	65.2382	HAL3	1308	0	0	0	0.09	
-1311	H12	SLES	1	38.7922	41.6521	65.0218	HAL3	1308	0	0	0	0.09	
-1312	NA	SLES	1	36.8724	23.6462	83.1505	NA	0	0	0	0	1	
-1313	S	SLES	1	35.3335	26.96	83.178	SL	1314	1315	1316	1317	1.33	
-1314	OS1	SLES	1	36.456	26.4469	82.0449	OSL	1313	1318	0	0	-0.28	
-1315	OS2	SLES	1	34.2273	26.0278	83.1083	O2L	1313	0	0	0	-0.65	
-1316	OS3	SLES	1	35.9852	26.8551	84.4667	O2L	1313	0	0	0	-0.65	
-1317	OS4	SLES	1	34.851	28.3169	82.9766	O2L	1313	0	0	0	-0.65	
-1318	C2	SLES	1	36.571	27.4444	80.9439	CC32A	1314	1319	1320	1321	-0.11	
-1319	H2A	SLES	1	35.564	27.644	80.4821	HCA2	1318	0	0	0	0.09	
-1320	H2B	SLES	1	36.9723	28.4044	81.3722	HCA2	1318	0	0	0	0.09	
-1321	C1	SLES	1	37.5764	26.8878	79.8277	CC32A	1318	1322	1323	1324	-0.01	
-1322	H1B	SLES	1	37.2272	25.8938	79.4649	HCA2	1321	0	0	0	0.09	
-1323	H1A	SLES	1	38.5979	26.7743	80.2598	HCA2	1321	0	0	0	0.09	
-1324	O1	SLES	1	37.7894	27.6441	78.5785	OC30A	1321	1325	0	0	-0.34	
-1325	C2	SLES	1	37.3982	29.0331	78.59	CC32A	1324	1326	1327	1328	-0.01	
-1326	H2A	SLES	1	36.3131	28.9599	78.7997	HCA2	1325	0	0	0	0.09	
-1327	H2B	SLES	1	37.9137	29.4197	79.4979	HCA2	1325	0	0	0	0.09	
-1328	C1	SLES	1	37.6325	30.0125	77.397	CC32A	1325	1329	1330	1331	-0.01	
-1329	H1B	SLES	1	36.7484	30.0009	76.723	HCA2	1328	0	0	0	0.09	
-1330	H1A	SLES	1	37.7668	31.0407	77.7887	HCA2	1328	0	0	0	0.09	
-1331	O1	SLES	1	38.7025	29.839	76.4134	OC30A	1328	1332	0	0	-0.34	
-1332	C1	SLES	1	39.2165	31.0892	75.8244	CTL2	1331	1333	1334	1335	-0.18	
-1333	H11	SLES	1	38.5304	31.8997	76.1303	HAL2	1332	0	0	0	0.09	
-1334	H12	SLES	1	40.1747	31.2088	76.3711	HAL2	1332	0	0	0	0.09	
-1335	C2	SLES	1	39.4742	31.1721	74.2678	CTL2	1332	1336	1337	1338	-0.18	
-1336	H21	SLES	1	39.1718	30.2102	73.7965	HAL2	1335	0	0	0	0.09	
-1337	H22	SLES	1	40.5625	31.314	74.0887	HAL2	1335	0	0	0	0.09	
-1338	C3	SLES	1	38.6653	32.373	73.5735	CTL2	1335	1339	1340	1341	-0.18	
-1339	H31	SLES	1	37.7897	31.9524	73.0306	HAL2	1338	0	0	0	0.09	
-1340	H32	SLES	1	38.2826	33.0532	74.3603	HAL2	1338	0	0	0	0.09	
-1341	C4	SLES	1	39.5482	33.2083	72.5563	CTL2	1338	1342	1343	1344	-0.18	
-1342	H41	SLES	1	39.2948	32.8979	71.5211	HAL2	1341	0	0	0	0.09	
-1343	H42	SLES	1	40.6214	32.9778	72.7298	HAL2	1341	0	0	0	0.09	
-1344	C5	SLES	1	39.3265	34.7817	72.6987	CTL2	1341	1345	1346	1347	-0.18	
-1345	H51	SLES	1	38.3744	34.9664	73.2433	HAL2	1344	0	0	0	0.09	
-1346	H52	SLES	1	40.1565	35.2114	73.305	HAL2	1344	0	0	0	0.09	
-1347	C6	SLES	1	39.2709	35.5219	71.3093	CTL2	1344	1348	1349	1350	-0.18	
-1348	H61	SLES	1	38.3103	35.274	70.8044	HAL2	1347	0	0	0	0.09	
-1349	H62	SLES	1	39.2921	36.623	71.4846	HAL2	1347	0	0	0	0.09	
-1350	C7	SLES	1	40.4555	35.1342	70.3689	CTL2	1347	1351	1352	1353	-0.18	
-1351	H71	SLES	1	40.2228	34.166	69.8725	HAL2	1350	0	0	0	0.09	
-1352	H72	SLES	1	41.3749	34.9944	70.9802	HAL2	1350	0	0	0	0.09	
-1353	C8	SLES	1	40.7296	36.2036	69.2823	CTL2	1350	1354	1355	1356	-0.18	
-1354	H81	SLES	1	39.7629	36.5095	68.8204	HAL2	1353	0	0	0	0.09	
-1355	H82	SLES	1	41.1815	37.1018	69.7615	HAL2	1353	0	0	0	0.09	
-1356	C9	SLES	1	41.6805	35.6894	68.1724	CTL2	1353	1357	1358	1359	-0.18	
-1357	H91	SLES	1	41.2419	34.7741	67.7139	HAL2	1356	0	0	0	0.09	
-1358	H92	SLES	1	42.6558	35.4102	68.631	HAL2	1356	0	0	0	0.09	
-1359	C10	SLES	1	41.9263	36.7404	67.0641	CTL2	1356	1360	1361	1362	-0.18	
-1360	H10	SLES	1	40.9534	37.0026	66.5893	HAL2	1359	0	0	0	0.09	
-1361	H10	SLES	1	42.3442	37.664	67.525	HAL2	1359	0	0	0	0.09	
-1362	C11	SLES	1	42.9032	36.2332	65.9704	CTL2	1359	1363	1364	1365	-0.18	
-1363	H11	SLES	1	42.4777	35.3133	65.5078	HAL2	1362	0	0	0	0.09	
-1364	H11	SLES	1	43.8683	35.9553	66.4524	HAL2	1362	0	0	0	0.09	
-1365	C12	SLES	1	43.1833	37.2708	64.8527	CTL3	1362	1366	1367	1368	-0.27	
-1366	H12	SLES	1	42.8823	36.8631	63.8625	HAL3	1365	0	0	0	0.09	
-1367	H12	SLES	1	44.2671	37.5195	64.8189	HAL3	1365	0	0	0	0.09	
-1368	H12	SLES	1	42.6111	38.2055	65.0398	HAL3	1365	0	0	0	0.09	
-1369	NA	SLES	1	47.4085	20.3941	82.6598	NA	0	0	0	0	1	
-1370	S	SLES	1	45.6814	23.5415	83.339	SL	1371	1372	1373	1374	1.33	
-1371	OS1	SLES	1	46.5312	23.2122	81.9331	OSL	1370	1375	0	0	-0.28	
-1372	OS2	SLES	1	44.6632	22.5176	83.4501	O2L	1370	0	0	0	-0.65	
-1373	OS3	SLES	1	46.6314	23.4109	84.4239	O2L	1370	0	0	0	-0.65	
-1374	OS4	SLES	1	45.0656	24.8584	83.3766	O2L	1370	0	0	0	-0.65	
-1375	C2	SLES	1	46.3025	24.288	80.9278	CC32A	1371	1376	1377	1378	-0.11	
-1376	H2A	SLES	1	45.2018	24.4241	80.7352	HCA2	1375	0	0	0	0.09	
-1377	H2B	SLES	1	46.7235	25.2501	81.332	HCA2	1375	0	0	0	0.09	
-1378	C1	SLES	1	47.0463	23.9036	79.5619	CC32A	1375	1379	1380	1381	-0.01	
-1379	H1B	SLES	1	46.6942	22.9083	79.2058	HCA2	1378	0	0	0	0.09	
-1380	H1A	SLES	1	48.1475	23.8565	79.7299	HCA2	1378	0	0	0	0.09	
-1381	O1	SLES	1	46.8943	24.7588	78.3689	OC30A	1378	1382	0	0	-0.34	
-1382	C2	SLES	1	46.416	26.1017	78.5939	CC32A	1381	1383	1384	1385	-0.01	
-1383	H2A	SLES	1	45.4223	25.9142	79.0457	HCA2	1382	0	0	0	0.09	
-1384	H2B	SLES	1	47.1058	26.4723	79.3852	HCA2	1382	0	0	0	0.09	
-1385	C1	SLES	1	46.2818	27.1768	77.4698	CC32A	1382	1386	1387	1388	-0.01	
-1386	H1B	SLES	1	45.2643	27.1286	77.0244	HCA2	1385	0	0	0	0.09	
-1387	H1A	SLES	1	46.4306	28.1842	77.9075	HCA2	1385	0	0	0	0.09	
-1388	O1	SLES	1	47.092	27.1699	76.2507	OC30A	1385	1389	0	0	-0.34	
-1389	C1	SLES	1	47.3544	28.4993	75.6692	CTL2	1388	1390	1391	1392	-0.18	
-1390	H11	SLES	1	46.7047	29.2201	76.1978	HAL2	1389	0	0	0	0.09	
-1391	H12	SLES	1	48.4048	28.6701	75.9834	HAL2	1389	0	0	0	0.09	
-1392	C2	SLES	1	47.2211	28.7104	74.1091	CTL2	1389	1393	1394	1395	-0.18	
-1393	H21	SLES	1	46.8856	27.7586	73.6398	HAL2	1392	0	0	0	0.09	
-1394	H22	SLES	1	48.2201	28.9643	73.6921	HAL2	1392	0	0	0	0.09	
-1395	C3	SLES	1	46.1818	29.8752	73.7326	CTL2	1392	1396	1397	1398	-0.18	
-1396	H31	SLES	1	45.2344	29.4128	73.3763	HAL2	1395	0	0	0	0.09	
-1397	H32	SLES	1	45.9515	30.4624	74.6439	HAL2	1395	0	0	0	0.09	
-1398	C4	SLES	1	46.7282	30.8554	72.6134	CTL2	1395	1399	1400	1401	-0.18	
-1399	H41	SLES	1	46.2556	30.5934	71.6439	HAL2	1398	0	0	0	0.09	
-1400	H42	SLES	1	47.8255	30.7142	72.5086	HAL2	1398	0	0	0	0.09	
-1401	C5	SLES	1	46.4319	32.3883	72.9413	CTL2	1398	1402	1403	1404	-0.18	
-1402	H51	SLES	1	45.6288	32.4468	73.7088	HAL2	1401	0	0	0	0.09	
-1403	H52	SLES	1	47.3498	32.8512	73.3706	HAL2	1401	0	0	0	0.09	
-1404	C6	SLES	1	45.9874	33.2121	71.6745	CTL2	1401	1405	1406	1407	-0.18	
-1405	H61	SLES	1	44.9542	32.9108	71.39	HAL2	1404	0	0	0	0.09	
-1406	H62	SLES	1	45.9689	34.2961	71.9357	HAL2	1404	0	0	0	0.09	
-1407	C7	SLES	1	46.9347	33.0002	70.4514	CTL2	1404	1408	1409	1410	-0.18	
-1408	H71	SLES	1	46.6609	32.0503	69.9409	HAL2	1407	0	0	0	0.09	
-1409	H72	SLES	1	47.9823	32.9053	70.8146	HAL2	1407	0	0	0	0.09	
-1410	C8	SLES	1	46.8579	34.1612	69.4289	CTL2	1407	1411	1412	1413	-0.18	
-1411	H81	SLES	1	45.7884	34.4066	69.2361	HAL2	1410	0	0	0	0.09	
-1412	H82	SLES	1	47.3447	35.063	69.8651	HAL2	1410	0	0	0	0.09	
-1413	C9	SLES	1	47.5475	33.8134	68.0858	CTL2	1410	1414	1415	1416	-0.18	
-1414	H91	SLES	1	47.0799	32.8944	67.6649	HAL2	1413	0	0	0	0.09	
-1415	H92	SLES	1	48.6226	33.5955	68.2756	HAL2	1413	0	0	0	0.09	
-1416	C10	SLES	1	47.4396	34.9549	67.0472	CTL2	1413	1417	1418	1419	-0.18	
-1417	H10	SLES	1	46.364	35.1572	66.8396	HAL2	1416	0	0	0	0.09	
-1418	H10	SLES	1	47.8871	35.8801	67.4759	HAL2	1416	0	0	0	0.09	
-1419	C11	SLES	1	48.1576	34.6154	65.7142	CTL2	1416	1420	1421	1422	-0.18	
-1420	H11	SLES	1	47.702	33.6933	65.286	HAL2	1419	0	0	0	0.09	
-1421	H11	SLES	1	49.2285	34.3963	65.9293	HAL2	1419	0	0	0	0.09	
-1422	C12	SLES	1	48.0816	35.7475	64.6573	CTL3	1419	1423	1424	1425	-0.27	
-1423	H12	SLES	1	47.581	35.3813	63.7339	HAL3	1422	0	0	0	0.09	
-1424	H12	SLES	1	49.1036	36.0973	64.3914	HAL3	1422	0	0	0	0.09	
-1425	H12	SLES	1	47.5042	36.6103	65.0551	HAL3	1422	0	0	0	0.09	
-1426	NA	SLES	1	58.31	21.6323	82.3832	NA	0	0	0	0	1	
-1427	S	SLES	1	56.5397	24.6544	83.4242	SL	1428	1429	1430	1431	1.33	
-1428	OS1	SLES	1	57.039	24.3425	81.8555	OSL	1427	1432	0	0	-0.28	
-1429	OS2	SLES	1	55.6737	23.5571	83.8029	O2L	1427	0	0	0	-0.65	
-1430	OS3	SLES	1	57.7371	24.6401	84.2383	O2L	1427	0	0	0	-0.65	
-1431	OS4	SLES	1	55.8409	25.9182	83.5943	O2L	1427	0	0	0	-0.65	
-1432	C2	SLES	1	56.4754	25.3589	80.9229	CC32A	1428	1433	1434	1435	-0.11	
-1433	H2A	SLES	1	55.3538	25.3993	81.0102	HCA2	1432	0	0	0	0.09	
-1434	H2B	SLES	1	56.8986	26.3657	81.1936	HCA2	1432	0	0	0	0.09	
-1435	C1	SLES	1	56.887	24.9852	79.4205	CC32A	1432	1436	1437	1438	-0.01	
-1436	H1B	SLES	1	56.5451	23.9524	79.1795	HCA2	1435	0	0	0	0.09	
-1437	H1A	SLES	1	57.9953	25.0324	79.3078	HCA2	1435	0	0	0	0.09	
-1438	O1	SLES	1	56.37	25.781	78.2903	OC30A	1435	1439	0	0	-0.34	
-1439	C2	SLES	1	55.8481	27.0887	78.607	CC32A	1438	1440	1441	1442	-0.01	
-1440	H2A	SLES	1	55.0179	26.8391	79.2963	HCA2	1439	0	0	0	0.09	
-1441	H2B	SLES	1	56.678	27.5421	79.1943	HCA2	1439	0	0	0	0.09	
-1442	C1	SLES	1	55.3462	28.1075	77.5358	CC32A	1439	1443	1444	1445	-0.01	
-1443	H1B	SLES	1	54.2581	27.9618	77.3604	HCA2	1442	0	0	0	0.09	
-1444	H1A	SLES	1	55.5112	29.139	77.9063	HCA2	1442	0	0	0	0.09	
-1445	O1	SLES	1	55.8256	28.1206	76.1527	OC30A	1442	1446	0	0	-0.34	
-1446	C1	SLES	1	55.8192	29.4443	75.5034	CTL2	1445	1447	1448	1449	-0.18	
-1447	H11	SLES	1	55.2613	30.1299	76.1665	HAL2	1446	0	0	0	0.09	
-1448	H12	SLES	1	56.8959	29.71	75.5415	HAL2	1446	0	0	0	0.09	
-1449	C2	SLES	1	55.2848	29.5866	74.0233	CTL2	1446	1450	1451	1452	-0.18	
-1450	H21	SLES	1	54.927	28.5944	73.668	HAL2	1449	0	0	0	0.09	
-1451	H22	SLES	1	56.1231	29.9041	73.3653	HAL2	1449	0	0	0	0.09	
-1452	C3	SLES	1	54.0877	30.6499	73.9012	CTL2	1449	1453	1454	1455	-0.18	
-1453	H31	SLES	1	53.1253	30.1004	73.8008	HAL2	1452	0	0	0	0.09	
-1454	H32	SLES	1	54.041	31.2499	74.8317	HAL2	1452	0	0	0	0.09	
-1455	C4	SLES	1	54.252	31.6288	72.6655	CTL2	1452	1456	1457	1458	-0.18	
-1456	H41	SLES	1	53.5778	31.2943	71.8496	HAL2	1455	0	0	0	0.09	
-1457	H42	SLES	1	55.2968	31.5721	72.2913	HAL2	1455	0	0	0	0.09	
-1458	C5	SLES	1	53.9148	33.1441	73.0332	CTL2	1455	1459	1460	1461	-0.18	
-1459	H51	SLES	1	53.3255	33.1664	73.9764	HAL2	1458	0	0	0	0.09	
-1460	H52	SLES	1	54.8669	33.6944	73.2115	HAL2	1458	0	0	0	0.09	
-1461	C6	SLES	1	53.0998	33.8825	71.9054	CTL2	1458	1462	1463	1464	-0.18	
-1462	H61	SLES	1	52.0585	33.4893	71.8938	HAL2	1461	0	0	0	0.09	
-1463	H62	SLES	1	53.053	34.9704	72.1459	HAL2	1461	0	0	0	0.09	
-1464	C7	SLES	1	53.7283	33.7022	70.4875	CTL2	1461	1465	1466	1467	-0.18	
-1465	H71	SLES	1	53.4197	32.7153	70.0768	HAL2	1464	0	0	0	0.09	
-1466	H72	SLES	1	54.8374	33.7049	70.5779	HAL2	1464	0	0	0	0.09	
-1467	C8	SLES	1	53.2997	34.8149	69.4988	CTL2	1464	1468	1469	1470	-0.18	
-1468	H81	SLES	1	52.1987	34.9668	69.5764	HAL2	1467	0	0	0	0.09	
-1469	H82	SLES	1	53.7996	35.7682	69.7849	HAL2	1467	0	0	0	0.09	
-1470	C9	SLES	1	53.6615	34.4742	68.0313	CTL2	1467	1471	1472	1473	-0.18	
-1471	H91	SLES	1	53.1854	33.5059	67.7555	HAL2	1470	0	0	0	0.09	
-1472	H92	SLES	1	54.7648	34.3501	67.9491	HAL2	1470	0	0	0	0.09	
-1473	C10	SLES	1	53.2005	35.5644	67.0352	CTL2	1470	1474	1475	1476	-0.18	
-1474	H10	SLES	1	52.0938	35.6723	67.1006	HAL2	1473	0	0	0	0.09	
-1475	H10	SLES	1	53.6586	36.5376	67.3236	HAL2	1473	0	0	0	0.09	
-1476	C11	SLES	1	53.5916	35.2345	65.5703	CTL2	1473	1477	1478	1479	-0.18	
-1477	H11	SLES	1	53.1255	34.2639	65.2844	HAL2	1476	0	0	0	0.09	
-1478	H11	SLES	1	54.6972	35.1099	65.5135	HAL2	1476	0	0	0	0.09	
-1479	C12	SLES	1	53.1577	36.3173	64.5486	CTL3	1476	1480	1481	1482	-0.27	
-1480	H12	SLES	1	52.4771	35.8785	63.786	HAL3	1479	0	0	0	0.09	
-1481	H12	SLES	1	54.0473	36.7377	64.0296	HAL3	1479	0	0	0	0.09	
-1482	H12	SLES	1	52.6247	37.1452	65.0648	HAL3	1479	0	0	0	0.09	
-1483	NA	SLES	1	67.7911	27.1118	82.3685	NA	0	0	0	0	1	
-1484	S	SLES	1	65.9966	30.1163	83.4189	SL	1485	1486	1487	1488	1.33	
-1485	OS1	SLES	1	66.1799	29.6315	81.8256	OSL	1484	1489	0	0	-0.28	
-1486	OS2	SLES	1	65.3413	29.0225	84.1058	O2L	1484	0	0	0	-0.65	
-1487	OS3	SLES	1	67.3348	30.295	83.9421	O2L	1484	0	0	0	-0.65	
-1488	OS4	SLES	1	65.2303	31.3399	83.5922	O2L	1484	0	0	0	-0.65	
-1489	C2	SLES	1	65.3354	30.4714	80.9302	CC32A	1485	1490	1491	1492	-0.11	
-1490	H2A	SLES	1	64.2593	30.4453	81.2597	HCA2	1489	0	0	0	0.09	
-1491	H2B	SLES	1	65.7065	31.5324	80.981	HCA2	1489	0	0	0	0.09	
-1492	C1	SLES	1	65.4536	29.9283	79.4277	CC32A	1489	1493	1494	1495	-0.01	
-1493	H1B	SLES	1	65.1704	28.8513	79.3906	HCA2	1492	0	0	0	0.09	
-1494	H1A	SLES	1	66.5028	30.0368	79.0665	HCA2	1492	0	0	0	0.09	
-1495	O1	SLES	1	64.6339	30.5269	78.3563	OC30A	1492	1496	0	0	-0.34	
-1496	C2	SLES	1	64.0664	31.8258	78.627	CC32A	1495	1497	1498	1499	-0.01	
-1497	H2A	SLES	1	63.4294	31.6143	79.5081	HCA2	1496	0	0	0	0.09	
-1498	H2B	SLES	1	64.9539	32.4108	78.9581	HCA2	1496	0	0	0	0.09	
-1499	C1	SLES	1	63.2524	32.6538	77.5834	CC32A	1496	1500	1501	1502	-0.01	
-1500	H1B	SLES	1	62.1712	32.4106	77.6728	HCA2	1499	0	0	0	0.09	
-1501	H1A	SLES	1	63.3911	33.7348	77.7855	HCA2	1499	0	0	0	0.09	
-1502	O1	SLES	1	63.4242	32.5138	76.1365	OC30A	1499	1503	0	0	-0.34	
-1503	C1	SLES	1	63.1517	33.7344	75.3555	CTL2	1502	1504	1505	1506	-0.18	
-1504	H11	SLES	1	62.683	34.4626	76.0419	HAL2	1503	0	0	0	0.09	
-1505	H12	SLES	1	64.1809	34.0769	75.1219	HAL2	1503	0	0	0	0.09	
-1506	C2	SLES	1	62.3044	33.6386	74.0253	CTL2	1503	1507	1508	1509	-0.18	
-1507	H21	SLES	1	61.9776	32.5852	73.8763	HAL2	1506	0	0	0	0.09	
-1508	H22	SLES	1	62.9494	33.922	73.1649	HAL2	1506	0	0	0	0.09	
-1509	C3	SLES	1	61.0111	34.5901	74.0499	CTL2	1506	1510	1511	1512	-0.18	
-1510	H31	SLES	1	60.1074	33.9666	74.2309	HAL2	1509	0	0	0	0.09	
-1511	H32	SLES	1	61.1047	35.3053	74.8913	HAL2	1509	0	0	0	0.09	
-1512	C4	SLES	1	60.8139	35.4028	72.7035	CTL2	1509	1513	1514	1515	-0.18	
-1513	H41	SLES	1	60.0179	34.9154	72.1026	HAL2	1512	0	0	0	0.09	
-1514	H42	SLES	1	61.7561	35.3688	72.1153	HAL2	1512	0	0	0	0.09	
-1515	C5	SLES	1	60.4166	36.9267	72.9583	CTL2	1512	1516	1517	1518	-0.18	
-1516	H51	SLES	1	60.0414	37.0348	73.9999	HAL2	1515	0	0	0	0.09	
-1517	H52	SLES	1	61.3268	37.5607	72.8551	HAL2	1515	0	0	0	0.09	
-1518	C6	SLES	1	59.3134	37.4481	71.9623	CTL2	1515	1519	1520	1521	-0.18	
-1519	H61	SLES	1	58.3365	36.9856	72.2285	HAL2	1518	0	0	0	0.09	
-1520	H62	SLES	1	59.2131	38.5526	72.0791	HAL2	1518	0	0	0	0.09	
-1521	C7	SLES	1	59.6415	37.1225	70.4708	CTL2	1518	1522	1523	1524	-0.18	
-1522	H71	SLES	1	59.3503	36.0703	70.2567	HAL2	1521	0	0	0	0.09	
-1523	H72	SLES	1	60.739	37.2144	70.3112	HAL2	1521	0	0	0	0.09	
-1524	C8	SLES	1	58.9071	38.0595	69.4799	CTL2	1521	1525	1526	1527	-0.18	
-1525	H81	SLES	1	57.8381	38.1437	69.7824	HAL2	1524	0	0	0	0.09	
-1526	H82	SLES	1	59.3612	39.0751	69.5348	HAL2	1524	0	0	0	0.09	
-1527	C9	SLES	1	58.981	37.5503	68.0185	CTL2	1524	1528	1529	1530	-0.18	
-1528	H91	SLES	1	58.5537	36.5229	67.97	HAL2	1527	0	0	0	0.09	
-1529	H92	SLES	1	60.0485	37.4932	67.7077	HAL2	1527	0	0	0	0.09	
-1530	C10	SLES	1	58.2157	38.4618	67.0302	CTL2	1527	1531	1532	1533	-0.18	
-1531	H10	SLES	1	57.1428	38.5004	67.3274	HAL2	1530	0	0	0	0.09	
-1532	H10	SLES	1	58.6277	39.4944	67.0943	HAL2	1530	0	0	0	0.09	
-1533	C11	SLES	1	58.3175	37.9656	65.5635	CTL2	1530	1534	1535	1536	-0.18	
-1534	H11	SLES	1	57.898	36.9353	65.5033	HAL2	1533	0	0	0	0.09	
-1535	H11	SLES	1	59.3927	37.9115	65.277	HAL2	1533	0	0	0	0.09	
-1536	C12	SLES	1	57.5738	38.8682	64.5453	CTL3	1533	1537	1538	1539	-0.27	
-1537	H12	SLES	1	56.793	38.2845	64.0096	HAL3	1536	0	0	0	0.09	
-1538	H12	SLES	1	58.2881	39.2756	63.7961	HAL3	1536	0	0	0	0.09	
-1539	H12	SLES	1	57.0844	39.7191	65.0674	HAL3	1536	0	0	0	0.09	
-1540	NA	SLES	1	74.3045	35.9358	82.6182	NA	0	0	0	0	1	
-1541	S	SLES	1	72.386	38.9642	83.324	SL	1542	1543	1544	1545	1.33	
-1542	OS1	SLES	1	72.3932	38.1705	81.8485	OSL	1541	1546	0	0	-0.28	
-1543	OS2	SLES	1	71.9435	37.9964	84.3063	O2L	1541	0	0	0	-0.65	
-1544	OS3	SLES	1	73.7598	39.3391	83.5864	O2L	1541	0	0	0	-0.65	
-1545	OS4	SLES	1	71.5344	40.142	83.3706	O2L	1541	0	0	0	-0.65	
-1546	C2	SLES	1	71.3539	38.745	80.9483	CC32A	1542	1547	1548	1549	-0.11	
-1547	H2A	SLES	1	70.3419	38.7151	81.4403	HCA2	1546	0	0	0	0.09	
-1548	H2B	SLES	1	71.6221	39.8159	80.7309	HCA2	1546	0	0	0	0.09	
-1549	C1	SLES	1	71.3153	37.9088	79.5824	CC32A	1546	1550	1551	1552	-0.01	
-1550	H1B	SLES	1	71.1372	36.8312	79.8025	HCA2	1549	0	0	0	0.09	
-1551	H1A	SLES	1	72.2883	38.0105	79.0476	HCA2	1549	0	0	0	0.09	
-1552	O1	SLES	1	70.2998	38.2128	78.5555	OC30A	1549	1553	0	0	-0.34	
-1553	C2	SLES	1	69.6502	39.498	78.6506	CC32A	1552	1554	1555	1556	-0.01	
-1554	H2A	SLES	1	69.1657	39.4326	79.6444	HCA2	1553	0	0	0	0.09	
-1555	H2B	SLES	1	70.5131	40.1983	78.7175	HCA2	1553	0	0	0	0.09	
-1556	C1	SLES	1	68.6216	40.0319	77.6046	CC32A	1553	1557	1558	1559	-0.01	
-1557	H1B	SLES	1	67.5925	39.7398	77.9077	HCA2	1556	0	0	0	0.09	
-1558	H1A	SLES	1	68.6798	41.1381	77.5659	HCA2	1556	0	0	0	0.09	
-1559	O1	SLES	1	68.6037	39.6043	76.2047	OC30A	1556	1560	0	0	-0.34	
-1560	C1	SLES	1	68.1065	40.6131	75.2512	CTL2	1559	1561	1562	1563	-0.18	
-1561	H11	SLES	1	67.6682	41.4352	75.8455	HAL2	1560	0	0	0	0.09	
-1562	H12	SLES	1	69.0545	40.9684	74.7971	HAL2	1560	0	0	0	0.09	
-1563	C2	SLES	1	67.0964	40.1837	74.1147	CTL2	1560	1564	1565	1566	-0.18	
-1564	H21	SLES	1	66.8574	39.1026	74.2287	HAL2	1563	0	0	0	0.09	
-1565	H22	SLES	1	67.5845	40.324	73.1254	HAL2	1563	0	0	0	0.09	
-1566	C3	SLES	1	65.7316	41.029	74.1532	CTL2	1563	1567	1568	1569	-0.18	
-1567	H31	SLES	1	64.9276	40.3971	74.5921	HAL2	1566	0	0	0	0.09	
-1568	H32	SLES	1	65.8702	41.909	74.8124	HAL2	1566	0	0	0	0.09	
-1569	C4	SLES	1	65.2702	41.5266	72.7209	CTL2	1566	1570	1571	1572	-0.18	
-1570	H41	SLES	1	64.4504	40.8713	72.3593	HAL2	1569	0	0	0	0.09	
-1571	H42	SLES	1	66.1204	41.4345	72.0111	HAL2	1569	0	0	0	0.09	
-1572	C5	SLES	1	64.764	43.0394	72.7297	CTL2	1569	1573	1574	1575	-0.18	
-1573	H51	SLES	1	64.5282	43.3372	73.7752	HAL2	1572	0	0	0	0.09	
-1574	H52	SLES	1	65.584	43.6983	72.363	HAL2	1572	0	0	0	0.09	
-1575	C6	SLES	1	63.4872	43.2646	71.8352	CTL2	1572	1576	1577	1578	-0.18	
-1576	H61	SLES	1	62.6071	42.8026	72.3363	HAL2	1575	0	0	0	0.09	
-1577	H62	SLES	1	63.2957	44.3596	71.7467	HAL2	1575	0	0	0	0.09	
-1578	C7	SLES	1	63.6355	42.6573	70.4044	CTL2	1575	1579	1580	1581	-0.18	
-1579	H71	SLES	1	63.4225	41.5663	70.4495	HAL2	1578	0	0	0	0.09	
-1580	H72	SLES	1	64.6857	42.7882	70.0605	HAL2	1578	0	0	0	0.09	
-1581	C8	SLES	1	62.6819	43.3141	69.3755	CTL2	1578	1582	1583	1584	-0.18	
-1582	H81	SLES	1	61.6622	43.3866	69.8186	HAL2	1581	0	0	0	0.09	
-1583	H82	SLES	1	63.0369	44.3471	69.158	HAL2	1581	0	0	0	0.09	
-1584	C9	SLES	1	62.602	42.5166	68.0496	CTL2	1581	1585	1586	1587	-0.18	
-1585	H91	SLES	1	62.2753	41.4752	68.2714	HAL2	1584	0	0	0	0.09	
-1586	H92	SLES	1	63.6163	42.4685	67.5934	HAL2	1584	0	0	0	0.09	
-1587	C10	SLES	1	61.6207	43.1469	67.0331	CTL2	1584	1588	1589	1590	-0.18	
-1588	H10	SLES	1	60.601	43.1737	67.4806	HAL2	1587	0	0	0	0.09	
-1589	H10	SLES	1	61.9339	44.1956	66.8277	HAL2	1587	0	0	0	0.09	
-1590	C11	SLES	1	61.5663	42.3629	65.6951	CTL2	1587	1591	1592	1593	-0.18	
-1591	H11	SLES	1	61.2461	41.3167	65.905	HAL2	1590	0	0	0	0.09	
-1592	H11	SLES	1	62.5913	42.3234	65.2606	HAL2	1590	0	0	0	0.09	
-1593	C12	SLES	1	60.6032	42.9797	64.648	CTL3	1590	1594	1595	1596	-0.27	
-1594	H12	SLES	1	59.8169	42.2452	64.3662	HAL3	1593	0	0	0	0.09	
-1595	H12	SLES	1	61.1628	43.269	63.7312	HAL3	1593	0	0	0	0.09	
-1596	H12	SLES	1	60.1096	43.8857	65.0624	HAL3	1593	0	0	0	0.09	
-1597	NA	SLES	1	84.645	46.6805	74.7019	NA	0	0	0	0	1	
-1598	S	SLES	1	82.5841	49.6329	75.3232	SL	1599	1600	1601	1602	1.33	
-1599	OS1	SLES	1	82.2805	48.5015	74.1253	OSL	1598	1603	0	0	-0.28	
-1600	OS2	SLES	1	82.5965	48.9074	76.5766	O2L	1598	0	0	0	-0.65	
-1601	OS3	SLES	1	83.9025	50.1654	75.0496	O2L	1598	0	0	0	-0.65	
-1602	OS4	SLES	1	81.6165	50.7166	75.3878	O2L	1598	0	0	0	-0.65	
-1603	C2	SLES	1	80.9506	48.7537	73.5023	CC32A	1599	1604	1605	1606	-0.11	
-1604	H2A	SLES	1	80.1418	48.769	74.2851	HCA2	1603	0	0	0	0.09	
-1605	H2B	SLES	1	80.9805	49.7548	72.9894	HCA2	1603	0	0	0	0.09	
-1606	C1	SLES	1	80.6419	47.605	72.4292	CC32A	1603	1607	1608	1609	-0.01	
-1607	H1B	SLES	1	80.699	46.605	72.9174	HCA2	1606	0	0	0	0.09	
-1608	H1A	SLES	1	81.3907	47.6455	71.6041	HCA2	1606	0	0	0	0.09	
-1609	O1	SLES	1	79.3382	47.5663	71.7387	OC30A	1606	1610	0	0	-0.34	
-1610	C2	SLES	1	78.5596	48.7812	71.7611	CC32A	1609	1611	1612	1613	-0.01	
-1611	H2A	SLES	1	78.4006	48.927	72.8475	HCA2	1610	0	0	0	0.09	
-1612	H2B	SLES	1	79.2896	49.5404	71.4004	HCA2	1610	0	0	0	0.09	
-1613	C1	SLES	1	77.2034	48.9589	71.0086	CC32A	1610	1614	1615	1616	-0.01	
-1614	H1B	SLES	1	76.3628	48.6728	71.6777	HCA2	1613	0	0	0	0.09	
-1615	H1A	SLES	1	77.0816	50.0222	70.7202	HCA2	1613	0	0	0	0.09	
-1616	O1	SLES	1	76.8433	48.198	69.811	OC30A	1613	1617	0	0	-0.34	
-1617	C1	SLES	1	75.9451	48.898	68.8744	CTL2	1616	1618	1619	1620	-0.18	
-1618	H11	SLES	1	75.5808	49.8054	69.389	HAL2	1617	0	0	0	0.09	
-1619	H12	SLES	1	76.6557	49.2014	68.0781	HAL2	1617	0	0	0	0.09	
-1620	C2	SLES	1	74.7243	48.1243	68.2362	CTL2	1617	1621	1622	1623	-0.18	
-1621	H21	SLES	1	74.6935	47.0901	68.6463	HAL2	1620	0	0	0	0.09	
-1622	H22	SLES	1	74.8768	48.0523	67.137	HAL2	1620	0	0	0	0.09	
-1623	C3	SLES	1	73.3193	48.8454	68.5268	CTL2	1620	1624	1625	1626	-0.18	
-1624	H31	SLES	1	72.7818	48.2821	69.3218	HAL2	1623	0	0	0	0.09	
-1625	H32	SLES	1	73.5102	49.8692	68.9057	HAL2	1623	0	0	0	0.09	
-1626	C4	SLES	1	72.3922	48.9359	67.2445	CTL2	1623	1627	1628	1629	-0.18	
-1627	H41	SLES	1	71.6104	48.1506	67.3097	HAL2	1626	0	0	0	0.09	
-1628	H42	SLES	1	73.0029	48.7366	66.3377	HAL2	1626	0	0	0	0.09	
-1629	C5	SLES	1	71.6899	50.3604	67.0935	CTL2	1626	1630	1631	1632	-0.18	
-1630	H51	SLES	1	71.7266	50.8888	68.0716	HAL2	1629	0	0	0	0.09	
-1631	H52	SLES	1	72.2596	50.9688	66.3543	HAL2	1629	0	0	0	0.09	
-1632	C6	SLES	1	70.1895	50.2583	66.6251	CTL2	1629	1633	1634	1635	-0.18	
-1633	H61	SLES	1	69.5727	49.8686	67.4658	HAL2	1632	0	0	0	0.09	
-1634	H62	SLES	1	69.8189	51.2793	66.3724	HAL2	1632	0	0	0	0.09	
-1635	C7	SLES	1	70.0044	49.3289	65.3841	CTL2	1632	1636	1637	1638	-0.18	
-1636	H71	SLES	1	69.9795	48.27	65.7245	HAL2	1635	0	0	0	0.09	
-1637	H72	SLES	1	70.8772	49.4508	64.7047	HAL2	1635	0	0	0	0.09	
-1638	C8	SLES	1	68.7056	49.6352	64.5975	CTL2	1635	1639	1640	1641	-0.18	
-1639	H81	SLES	1	67.8601	49.7367	65.3159	HAL2	1638	0	0	0	0.09	
-1640	H82	SLES	1	68.8232	50.6064	64.065	HAL2	1638	0	0	0	0.09	
-1641	C9	SLES	1	68.3639	48.5305	63.5663	CTL2	1638	1642	1643	1644	-0.18	
-1642	H91	SLES	1	68.2756	47.5546	64.0956	HAL2	1641	0	0	0	0.09	
-1643	H92	SLES	1	69.1969	48.449	62.8324	HAL2	1641	0	0	0	0.09	
-1644	C10	SLES	1	67.0466	48.8123	62.8055	CTL2	1641	1645	1646	1647	-0.18	
-1645	H10	SLES	1	66.2091	48.8706	63.5377	HAL2	1644	0	0	0	0.09	
-1646	H10	SLES	1	67.1258	49.7983	62.2942	HAL2	1644	0	0	0	0.09	
-1647	C11	SLES	1	66.7234	47.7197	61.7522	CTL2	1644	1648	1649	1650	-0.18	
-1648	H11	SLES	1	66.6384	46.7366	62.2694	HAL2	1647	0	0	0	0.09	
-1649	H11	SLES	1	67.5715	47.6526	61.0331	HAL2	1647	0	0	0	0.09	
-1650	C12	SLES	1	65.4163	47.9822	60.9603	CTL3	1647	1651	1652	1653	-0.27	
-1651	H12	SLES	1	64.7013	47.1425	61.1053	HAL3	1650	0	0	0	0.09	
-1652	H12	SLES	1	65.6352	48.0775	59.8738	HAL3	1650	0	0	0	0.09	
-1653	H12	SLES	1	64.9348	48.9218	61.3084	HAL3	1650	0	0	0	0.09	
-1654	NA	SLES	1	83.2331	57.423	75.2889	NA	0	0	0	0	1	
-1655	S	SLES	1	80.8162	60.1579	75.1186	SL	1656	1657	1658	1659	1.33	
-1656	OS1	SLES	1	80.709	58.7429	74.2278	OSL	1655	1660	0	0	-0.28	
-1657	OS2	SLES	1	80.8452	59.7624	76.5115	O2L	1655	0	0	0	-0.65	
-1658	OS3	SLES	1	82.0773	60.7688	74.754	O2L	1655	0	0	0	-0.65	
-1659	OS4	SLES	1	79.7284	61.0961	74.8927	O2L	1655	0	0	0	-0.65	
-1660	C2	SLES	1	79.394	58.6703	73.5307	CC32A	1656	1661	1662	1663	-0.11	
-1661	H2A	SLES	1	78.5483	58.7725	74.2666	HCA2	1660	0	0	0	0.09	
-1662	H2B	SLES	1	79.3358	59.5143	72.789	HCA2	1660	0	0	0	0.09	
-1663	C1	SLES	1	79.2771	57.268	72.765	CC32A	1660	1664	1665	1666	-0.01	
-1664	H1B	SLES	1	79.4227	56.4299	73.4847	HCA2	1663	0	0	0	0.09	
-1665	H1A	SLES	1	80.0591	57.2018	71.9731	HCA2	1663	0	0	0	0.09	
-1666	O1	SLES	1	78.0251	56.9024	72.0745	OC30A	1663	1667	0	0	-0.34	
-1667	C2	SLES	1	77.1119	57.9804	71.78	CC32A	1666	1668	1669	1670	-0.01	
-1668	H2A	SLES	1	76.8795	58.3621	72.7934	HCA2	1667	0	0	0	0.09	
-1669	H2B	SLES	1	77.7679	58.7153	71.2615	HCA2	1667	0	0	0	0.09	
-1670	C1	SLES	1	75.7862	57.8016	70.975	CC32A	1667	1671	1672	1673	-0.01	
-1671	H1B	SLES	1	74.9497	57.5825	71.6737	HCA2	1670	0	0	0	0.09	
-1672	H1A	SLES	1	75.5585	58.7407	70.4319	HCA2	1670	0	0	0	0.09	
-1673	O1	SLES	1	75.5804	56.7363	69.9924	OC30A	1670	1674	0	0	-0.34	
-1674	C1	SLES	1	74.6589	57.0731	68.8917	CTL2	1673	1675	1676	1677	-0.18	
-1675	H11	SLES	1	74.1657	58.025	69.1594	HAL2	1674	0	0	0	0.09	
-1676	H12	SLES	1	75.3713	57.2622	68.0623	HAL2	1674	0	0	0	0.09	
-1677	C2	SLES	1	73.5709	56.0228	68.434	CTL2	1674	1678	1679	1680	-0.18	
-1678	H21	SLES	1	73.6373	55.1221	69.0843	HAL2	1677	0	0	0	0.09	
-1679	H22	SLES	1	73.789	55.7083	67.3899	HAL2	1677	0	0	0	0.09	
-1680	C3	SLES	1	72.0788	56.612	68.5056	CTL2	1677	1681	1682	1683	-0.18	
-1681	H31	SLES	1	71.568	56.1939	69.4016	HAL2	1680	0	0	0	0.09	
-1682	H32	SLES	1	72.1302	57.7124	68.6264	HAL2	1680	0	0	0	0.09	
-1683	C4	SLES	1	71.217	56.2754	67.2187	CTL2	1680	1684	1685	1686	-0.18	
-1684	H41	SLES	1	70.5284	55.4377	67.456	HAL2	1683	0	0	0	0.09	
-1685	H42	SLES	1	71.8941	55.9414	66.4032	HAL2	1683	0	0	0	0.09	
-1686	C5	SLES	1	70.3647	57.5229	66.7065	CTL2	1683	1687	1688	1689	-0.18	
-1687	H51	SLES	1	70.2882	58.2713	67.5259	HAL2	1686	0	0	0	0.09	
-1688	H52	SLES	1	70.8992	58.0018	65.8545	HAL2	1686	0	0	0	0.09	
-1689	C6	SLES	1	68.913	57.1252	66.2422	CTL2	1686	1690	1691	1692	-0.18	
-1690	H61	SLES	1	68.3012	56.8754	67.138	HAL2	1689	0	0	0	0.09	
-1691	H62	SLES	1	68.4415	58.0011	65.7382	HAL2	1689	0	0	0	0.09	
-1692	C7	SLES	1	68.9024	55.909	65.2629	CTL2	1689	1693	1694	1695	-0.18	
-1693	H71	SLES	1	68.9814	54.9684	65.8518	HAL2	1692	0	0	0	0.09	
-1694	H72	SLES	1	69.7904	55.9717	64.5951	HAL2	1692	0	0	0	0.09	
-1695	C8	SLES	1	67.6208	55.853	64.3947	CTL2	1692	1696	1697	1698	-0.18	
-1696	H81	SLES	1	66.7321	56.0182	65.0461	HAL2	1695	0	0	0	0.09	
-1697	H82	SLES	1	67.6542	56.6745	63.6433	HAL2	1695	0	0	0	0.09	
-1698	C9	SLES	1	67.4638	54.4991	63.6581	CTL2	1695	1699	1700	1701	-0.18	
-1699	H91	SLES	1	67.4603	53.6759	64.4082	HAL2	1698	0	0	0	0.09	
-1700	H92	SLES	1	68.3386	54.3479	62.9864	HAL2	1698	0	0	0	0.09	
-1701	C10	SLES	1	66.1653	54.4234	62.8205	CTL2	1698	1702	1703	1704	-0.18	
-1702	H10	SLES	1	65.2888	54.5514	63.4959	HAL2	1701	0	0	0	0.09	
-1703	H10	SLES	1	66.1577	55.2595	62.085	HAL2	1701	0	0	0	0.09	
-1704	C11	SLES	1	66.0264	53.0781	62.0598	CTL2	1701	1705	1706	1707	-0.18	
-1705	H11	SLES	1	66.0276	52.2455	62.8001	HAL2	1704	0	0	0	0.09	
-1706	H11	SLES	1	66.9137	52.9462	61.3994	HAL2	1704	0	0	0	0.09	
-1707	C12	SLES	1	64.7419	52.9776	61.1971	CTL3	1704	1708	1709	1710	-0.27	
-1708	H12	SLES	1	64.1214	52.1152	61.5265	HAL3	1707	0	0	0	0.09	
-1709	H12	SLES	1	65.0059	52.8354	60.1258	HAL3	1707	0	0	0	0.09	
-1710	H12	SLES	1	64.1377	53.9059	61.2927	HAL3	1707	0	0	0	0.09	
-1711	NA	SLES	1	78.5478	67.2973	75.9217	NA	0	0	0	0	1	
-1712	S	SLES	1	75.8918	69.5896	74.9015	SL	1713	1714	1715	1716	1.33	
-1713	OS1	SLES	1	76.0491	68.0164	74.3472	OSL	1712	1717	0	0	-0.28	
-1714	OS2	SLES	1	75.7887	69.5062	76.3437	O2L	1712	0	0	0	-0.65	
-1715	OS3	SLES	1	77.1157	70.2705	74.5341	O2L	1712	0	0	0	-0.65	
-1716	OS4	SLES	1	74.7464	70.3064	74.3638	O2L	1712	0	0	0	-0.65	
-1717	C2	SLES	1	74.847	67.6243	73.5588	CC32A	1713	1718	1719	1720	-0.11	
-1718	H2A	SLES	1	73.9099	67.7677	74.1658	HCA2	1717	0	0	0	0.09	
-1719	H2B	SLES	1	74.7918	68.2764	72.6435	HCA2	1717	0	0	0	0.09	
-1720	C1	SLES	1	74.9779	66.0885	73.1219	CC32A	1717	1721	1722	1723	-0.01	
-1721	H1B	SLES	1	75.1214	65.449	74.023	HCA2	1720	0	0	0	0.09	
-1722	H1A	SLES	1	75.8553	65.9598	72.4461	HCA2	1720	0	0	0	0.09	
-1723	O1	SLES	1	73.8685	65.4226	72.4122	OC30A	1720	1724	0	0	-0.34	
-1724	C2	SLES	1	72.8889	66.283	71.7936	CC32A	1723	1725	1726	1727	-0.01	
-1725	H2A	SLES	1	72.4921	66.837	72.6668	HCA2	1724	0	0	0	0.09	
-1726	H2B	SLES	1	73.522	66.9713	71.1895	HCA2	1724	0	0	0	0.09	
-1727	C1	SLES	1	71.7012	65.7638	70.9235	CC32A	1724	1728	1729	1730	-0.01	
-1728	H1B	SLES	1	70.8123	65.5894	71.5681	HCA2	1727	0	0	0	0.09	
-1729	H1A	SLES	1	71.4437	66.5277	70.1627	HCA2	1727	0	0	0	0.09	
-1730	O1	SLES	1	71.7353	64.4966	70.1916	OC30A	1727	1731	0	0	-0.34	
-1731	C1	SLES	1	70.9277	64.4673	68.9583	CTL2	1730	1732	1733	1734	-0.18	
-1732	H11	SLES	1	70.3057	65.3806	68.9542	HAL2	1731	0	0	0	0.09	
-1733	H12	SLES	1	71.7137	64.5686	68.1817	HAL2	1731	0	0	0	0.09	
-1734	C2	SLES	1	70.0244	63.2094	68.6449	CTL2	1731	1735	1736	1737	-0.18	
-1735	H21	SLES	1	70.1054	62.484	69.4852	HAL2	1734	0	0	0	0.09	
-1736	H22	SLES	1	70.4038	62.7121	67.7255	HAL2	1734	0	0	0	0.09	
-1737	C3	SLES	1	68.4806	63.5978	68.4347	CTL2	1734	1738	1739	1740	-0.18	
-1738	H31	SLES	1	67.9096	63.3156	69.3473	HAL2	1737	0	0	0	0.09	
-1739	H32	SLES	1	68.3982	64.6957	68.3083	HAL2	1737	0	0	0	0.09	
-1740	C4	SLES	1	67.8275	62.8848	67.1789	CTL2	1737	1741	1742	1743	-0.18	
-1741	H41	SLES	1	67.2085	62.0331	67.5304	HAL2	1740	0	0	0	0.09	
-1742	H42	SLES	1	68.6331	62.4779	66.5304	HAL2	1740	0	0	0	0.09	
-1743	C5	SLES	1	66.917	63.8713	66.3169	CTL2	1740	1744	1745	1746	-0.18	
-1744	H51	SLES	1	66.6589	64.7597	66.9345	HAL2	1743	0	0	0	0.09	
-1745	H52	SLES	1	67.4993	64.2248	65.4355	HAL2	1743	0	0	0	0.09	
-1746	C6	SLES	1	65.5859	63.1958	65.8141	CTL2	1743	1747	1748	1749	-0.18	
-1747	H61	SLES	1	64.8973	63.0632	66.6786	HAL2	1746	0	0	0	0.09	
-1748	H62	SLES	1	65.0898	63.8745	65.0815	HAL2	1746	0	0	0	0.09	
-1749	C7	SLES	1	65.8283	61.809	65.1386	CTL2	1746	1750	1751	1752	-0.18	
-1750	H71	SLES	1	65.9335	61.0337	65.9296	HAL2	1749	0	0	0	0.09	
-1751	H72	SLES	1	66.7809	61.8454	64.5645	HAL2	1749	0	0	0	0.09	
-1752	C8	SLES	1	64.6787	61.4011	64.1839	CTL2	1749	1753	1754	1755	-0.18	
-1753	H81	SLES	1	63.703	61.5818	64.6906	HAL2	1752	0	0	0	0.09	
-1754	H82	SLES	1	64.7174	62.0414	63.2734	HAL2	1752	0	0	0	0.09	
-1755	C9	SLES	1	64.7611	59.9131	63.7603	CTL2	1752	1756	1757	1758	-0.18	
-1756	H91	SLES	1	64.7522	59.2748	64.673	HAL2	1755	0	0	0	0.09	
-1757	H92	SLES	1	65.7242	59.7398	63.2294	HAL2	1755	0	0	0	0.09	
-1758	C10	SLES	1	63.5931	59.4904	62.8381	CTL2	1755	1759	1760	1761	-0.18	
-1759	H10	SLES	1	62.6305	59.6417	63.3777	HAL2	1758	0	0	0	0.09	
-1760	H10	SLES	1	63.5879	60.1428	61.9357	HAL2	1758	0	0	0	0.09	
-1761	C11	SLES	1	63.6956	58.008	62.3911	CTL2	1758	1762	1763	1764	-0.18	
-1762	H11	SLES	1	63.6936	57.3591	63.2967	HAL2	1761	0	0	0	0.09	
-1763	H11	SLES	1	64.6675	57.8574	61.8679	HAL2	1761	0	0	0	0.09	
-1764	C12	SLES	1	62.5472	57.5578	61.4514	CTL3	1761	1765	1766	1767	-0.27	
-1765	H12	SLES	1	61.9865	56.7106	61.9045	HAL3	1764	0	0	0	0.09	
-1766	H12	SLES	1	62.9568	57.2276	60.4712	HAL3	1764	0	0	0	0.09	
-1767	H12	SLES	1	61.8397	58.397	61.2751	HAL3	1764	0	0	0	0.09	
-1768	NA	SLES	1	70.9668	75.303	76.5382	NA	0	0	0	0	1	
-1769	S	SLES	1	68.32	77.0179	74.6931	SL	1770	1771	1772	1773	1.33	
-1770	OS1	SLES	1	68.7402	75.4111	74.4718	OSL	1769	1774	0	0	-0.28	
-1771	OS2	SLES	1	67.962	77.1577	76.0894	O2L	1769	0	0	0	-0.65	
-1772	OS3	SLES	1	69.5129	77.7887	74.4112	O2L	1769	0	0	0	-0.65	
-1773	OS4	SLES	1	67.2251	77.4757	73.8528	O2L	1769	0	0	0	-0.65	
-1774	C2	SLES	1	67.7517	74.7367	73.5838	CC32A	1770	1775	1776	1777	-0.11	
-1775	H2A	SLES	1	66.709	74.8493	73.9926	HCA2	1774	0	0	0	0.09	
-1776	H2B	SLES	1	67.7986	75.2172	72.5674	HCA2	1774	0	0	0	0.09	
-1777	C1	SLES	1	68.1204	73.1823	73.4649	CC32A	1774	1778	1779	1780	-0.01	
-1778	H1B	SLES	1	68.1612	72.7238	74.4796	HCA2	1777	0	0	0	0.09	
-1779	H1A	SLES	1	69.116	73.0647	72.9769	HCA2	1777	0	0	0	0.09	
-1780	O1	SLES	1	67.2366	72.2657	72.7189	OC30A	1777	1781	0	0	-0.34	
-1781	C2	SLES	1	66.3036	72.8732	71.8007	CC32A	1780	1782	1783	1784	-0.01	
-1782	H2A	SLES	1	65.697	73.5035	72.48	HCA2	1781	0	0	0	0.09	
-1783	H2B	SLES	1	66.9619	73.5328	71.1916	HCA2	1781	0	0	0	0.09	
-1784	C1	SLES	1	65.3575	72.0633	70.8593	CC32A	1781	1785	1786	1787	-0.01	
-1785	H1B	SLES	1	64.3881	71.8779	71.3711	HCA2	1784	0	0	0	0.09	
-1786	H1A	SLES	1	65.1665	72.6508	69.939	HCA2	1784	0	0	0	0.09	
-1787	O1	SLES	1	65.658	70.71	70.3892	OC30A	1784	1788	0	0	-0.34	
-1788	C1	SLES	1	65.0993	70.3709	69.0675	CTL2	1787	1789	1790	1791	-0.18	
-1789	H11	SLES	1	64.3969	71.1787	68.7936	HAL2	1788	0	0	0	0.09	
-1790	H12	SLES	1	66.0002	70.4493	68.4244	HAL2	1788	0	0	0	0.09	
-1791	C2	SLES	1	64.4056	68.9683	68.8484	CTL2	1788	1792	1793	1794	-0.18	
-1792	H21	SLES	1	64.4054	68.4076	69.8098	HAL2	1791	0	0	0	0.09	
-1793	H22	SLES	1	64.9978	68.3835	68.1109	HAL2	1791	0	0	0	0.09	
-1794	C3	SLES	1	62.8951	69.1049	68.321	CTL2	1791	1795	1796	1797	-0.18	
-1795	H31	SLES	1	62.1982	68.901	69.1643	HAL2	1794	0	0	0	0.09	
-1796	H32	SLES	1	62.7233	70.1462	67.9825	HAL2	1794	0	0	0	0.09	
-1797	C4	SLES	1	62.5629	68.1149	67.1288	CTL2	1794	1798	1799	1800	-0.18	
-1798	H41	SLES	1	61.982	67.2563	67.5255	HAL2	1797	0	0	0	0.09	
-1799	H42	SLES	1	63.5122	67.7203	66.7068	HAL2	1797	0	0	0	0.09	
-1800	C5	SLES	1	61.7291	68.8153	65.9628	CTL2	1797	1801	1802	1803	-0.18	
-1801	H51	SLES	1	61.2703	69.7495	66.3554	HAL2	1800	0	0	0	0.09	
-1802	H52	SLES	1	62.4239	69.0956	65.1383	HAL2	1800	0	0	0	0.09	
-1803	C6	SLES	1	60.5914	67.8931	65.3828	CTL2	1800	1804	1805	1806	-0.18	
-1804	H61	SLES	1	59.7729	67.8116	66.1327	HAL2	1803	0	0	0	0.09	
-1805	H62	SLES	1	60.1709	68.3698	64.4666	HAL2	1803	0	0	0	0.09	
-1806	C7	SLES	1	61.0976	66.4604	65.0235	CTL2	1803	1807	1808	1809	-0.18	
-1807	H71	SLES	1	61.1354	65.846	65.9503	HAL2	1806	0	0	0	0.09	
-1808	H72	SLES	1	62.1307	66.5309	64.6158	HAL2	1806	0	0	0	0.09	
-1809	C8	SLES	1	60.1928	65.7505	63.9858	CTL2	1806	1810	1811	1812	-0.18	
-1810	H81	SLES	1	59.1269	65.878	64.2843	HAL2	1809	0	0	0	0.09	
-1811	H82	SLES	1	60.3317	66.2329	62.9915	HAL2	1809	0	0	0	0.09	
-1812	C9	SLES	1	60.5067	64.2383	63.8631	CTL2	1809	1813	1814	1815	-0.18	
-1813	H91	SLES	1	60.3963	63.7623	64.8639	HAL2	1812	0	0	0	0.09	
-1814	H92	SLES	1	61.5639	64.1124	63.5377	HAL2	1812	0	0	0	0.09	
-1815	C10	SLES	1	59.5795	63.5168	62.8566	CTL2	1812	1816	1817	1818	-0.18	
-1816	H10	SLES	1	58.5234	63.6227	63.1946	HAL2	1815	0	0	0	0.09	
-1817	H10	SLES	1	59.6727	64.0064	61.8608	HAL2	1815	0	0	0	0.09	
-1818	C11	SLES	1	59.9167	62.0089	62.7135	CTL2	1815	1819	1820	1821	-0.18	
-1819	H11	SLES	1	59.8154	61.5224	63.7106	HAL2	1818	0	0	0	0.09	
-1820	H11	SLES	1	60.9788	61.9077	62.3929	HAL2	1818	0	0	0	0.09	
-1821	C12	SLES	1	59.0147	61.2604	61.6984	CTL3	1818	1822	1823	1824	-0.27	
-1822	H12	SLES	1	58.4716	60.4307	62.2023	HAL3	1821	0	0	0	0.09	
-1823	H12	SLES	1	59.6302	60.8331	60.8761	HAL3	1821	0	0	0	0.09	
-1824	H12	SLES	1	58.2682	61.9562	61.2572	HAL3	1821	0	0	0	0.09	
-1825	NA	SLES	1	61.1864	80.5815	77.0782	NA	0	0	0	0	1	
-1826	S	SLES	1	58.8565	81.7418	74.5138	SL	1827	1828	1829	1830	1.33	
-1827	OS1	SLES	1	59.4857	80.1908	74.5893	OSL	1826	1831	0	0	-0.28	
-1828	OS2	SLES	1	58.1795	81.9696	75.7737	O2L	1826	0	0	0	-0.65	
-1829	OS3	SLES	1	59.9924	82.6321	74.3974	O2L	1826	0	0	0	-0.65	
-1830	OS4	SLES	1	57.937	81.9661	73.4098	O2L	1826	0	0	0	-0.65	
-1831	C2	SLES	1	58.8015	79.3077	73.6032	CC32A	1827	1832	1833	1834	-0.11	
-1832	H2A	SLES	1	57.6875	79.321	73.7641	HCA2	1831	0	0	0	0.09	
-1833	H2B	SLES	1	59.0249	79.6879	72.568	HCA2	1831	0	0	0	0.09	
-1834	C1	SLES	1	59.3521	77.8115	73.7605	CC32A	1831	1835	1836	1837	-0.01	
-1835	H1B	SLES	1	59.2116	77.4644	74.8099	HCA2	1834	0	0	0	0.09	
-1836	H1A	SLES	1	60.4389	77.7793	73.5135	HCA2	1834	0	0	0	0.09	
-1837	O1	SLES	1	58.7632	76.7173	72.9644	OC30A	1834	1838	0	0	-0.34	
-1838	C2	SLES	1	58.0021	77.103	71.8006	CC32A	1837	1839	1840	1841	-0.01	
-1839	H2A	SLES	1	57.1936	77.7113	72.2514	HCA2	1838	0	0	0	0.09	
-1840	H2B	SLES	1	58.7062	77.7808	71.2675	HCA2	1838	0	0	0	0.09	
-1841	C1	SLES	1	57.3855	76.0866	70.7886	CC32A	1838	1842	1843	1844	-0.01	
-1842	H1B	SLES	1	56.3512	75.8258	71.1021	HCA2	1841	0	0	0	0.09	
-1843	H1A	SLES	1	57.3454	76.5504	69.7827	HCA2	1841	0	0	0	0.09	
-1844	O1	SLES	1	57.9278	74.7453	70.5659	OC30A	1841	1845	0	0	-0.34	
-1845	C1	SLES	1	57.7218	74.2071	69.2087	CTL2	1844	1846	1847	1848	-0.18	
-1846	H11	SLES	1	57.0169	74.8842	68.6932	HAL2	1845	0	0	0	0.09	
-1847	H12	SLES	1	58.7309	74.3404	68.7669	HAL2	1845	0	0	0	0.09	
-1848	C2	SLES	1	57.2501	72.7105	69.0244	CTL2	1845	1849	1850	1851	-0.18	
-1849	H21	SLES	1	57.0929	72.2518	70.0262	HAL2	1848	0	0	0	0.09	
-1850	H22	SLES	1	58.0528	72.1395	68.5084	HAL2	1848	0	0	0	0.09	
-1851	C3	SLES	1	55.892	72.5937	68.1757	CTL2	1848	1852	1853	1854	-0.18	
-1852	H31	SLES	1	55.0487	72.3833	68.8706	HAL2	1851	0	0	0	0.09	
-1853	H32	SLES	1	55.6904	73.5648	67.681	HAL2	1851	0	0	0	0.09	
-1854	C4	SLES	1	55.9458	71.4562	67.0733	CTL2	1851	1855	1856	1857	-0.18	
-1855	H41	SLES	1	55.3859	70.5714	67.4419	HAL2	1854	0	0	0	0.09	
-1856	H42	SLES	1	57.0026	71.151	66.9152	HAL2	1854	0	0	0	0.09	
-1857	C5	SLES	1	55.3267	71.9222	65.6788	CTL2	1854	1858	1859	1860	-0.18	
-1858	H51	SLES	1	54.6936	72.8215	65.8452	HAL2	1857	0	0	0	0.09	
-1859	H52	SLES	1	56.1556	72.2095	64.9922	HAL2	1857	0	0	0	0.09	
-1860	C6	SLES	1	54.4551	70.8053	64.9904	CTL2	1857	1861	1862	1863	-0.18	
-1861	H61	SLES	1	53.5019	70.6903	65.5537	HAL2	1860	0	0	0	0.09	
-1862	H62	SLES	1	54.2038	71.1299	63.9536	HAL2	1860	0	0	0	0.09	
-1863	C7	SLES	1	55.1801	69.4237	64.9287	CTL2	1860	1864	1865	1866	-0.18	
-1864	H71	SLES	1	55.0733	68.9137	65.9117	HAL2	1863	0	0	0	0.09	
-1865	H72	SLES	1	56.2648	69.5898	64.744	HAL2	1863	0	0	0	0.09	
-1866	C8	SLES	1	54.6145	68.502	63.8197	CTL2	1863	1867	1868	1869	-0.18	
-1867	H81	SLES	1	53.5014	68.5161	63.8668	HAL2	1866	0	0	0	0.09	
-1868	H82	SLES	1	54.9219	68.8985	62.8252	HAL2	1866	0	0	0	0.09	
-1869	C9	SLES	1	55.1084	67.0399	63.9564	CTL2	1866	1870	1871	1872	-0.18	
-1870	H91	SLES	1	54.8265	66.6541	64.9624	HAL2	1869	0	0	0	0.09	
-1871	H92	SLES	1	56.219	67.0235	63.8811	HAL2	1869	0	0	0	0.09	
-1872	C10	SLES	1	54.5153	66.1068	62.8743	CTL2	1869	1873	1874	1875	-0.18	
-1873	H10	SLES	1	53.4051	66.1048	62.9645	HAL2	1872	0	0	0	0.09	
-1874	H10	SLES	1	54.778	66.5042	61.8678	HAL2	1872	0	0	0	0.09	
-1875	C11	SLES	1	55.0359	64.65	62.9956	CTL2	1872	1876	1877	1878	-0.18	
-1876	H11	SLES	1	54.7648	64.2547	64.0013	HAL2	1875	0	0	0	0.09	
-1877	H11	SLES	1	56.1475	64.6591	62.9229	HAL2	1875	0	0	0	0.09	
-1878	C12	SLES	1	54.4722	63.6927	61.9139	CTL3	1875	1879	1880	1881	-0.27	
-1879	H12	SLES	1	53.9215	62.8521	62.3907	HAL3	1878	0	0	0	0.09	
-1880	H12	SLES	1	55.2997	63.2719	61.301	HAL3	1878	0	0	0	0.09	
-1881	H12	SLES	1	53.7744	64.237	61.2409	HAL3	1878	0	0	0	0.09	
-1882	NA	SLES	1	50.1713	82.5286	77.4886	NA	0	0	0	0	1	
-1883	S	SLES	1	48.4237	83.3288	74.3812	SL	1884	1885	1886	1887	1.33	
-1884	OS1	SLES	1	49.1892	81.8704	74.6883	OSL	1883	1888	0	0	-0.28	
-1885	OS2	SLES	1	47.4369	83.5002	75.4273	O2L	1883	0	0	0	-0.65	
-1886	OS3	SLES	1	49.4434	84.3506	74.4941	O2L	1883	0	0	0	-0.65	
-1887	OS4	SLES	1	47.7834	83.4107	73.0782	O2L	1883	0	0	0	-0.65	
-1888	C2	SLES	1	48.8739	80.8859	73.6151	CC32A	1884	1889	1890	1891	-0.11	
-1889	H2A	SLES	1	47.7605	80.7643	73.5024	HCA2	1888	0	0	0	0.09	
-1890	H2B	SLES	1	49.299	81.2665	72.6452	HCA2	1888	0	0	0	0.09	
-1891	C1	SLES	1	49.5374	79.4741	73.9796	CC32A	1888	1892	1893	1894	-0.01	
-1892	H1B	SLES	1	49.1848	79.1371	74.9815	HCA2	1891	0	0	0	0.09	
-1893	H1A	SLES	1	50.6478	79.5716	74.0033	HCA2	1891	0	0	0	0.09	
-1894	O1	SLES	1	49.2915	78.2966	73.1248	OC30A	1891	1895	0	0	-0.34	
-1895	C2	SLES	1	48.7997	78.5569	71.7932	CC32A	1894	1896	1897	1898	-0.01	
-1896	H2A	SLES	1	47.8411	79.0702	72.0034	HCA2	1895	0	0	0	0.09	
-1897	H2B	SLES	1	49.5303	79.3043	71.4098	HCA2	1895	0	0	0	0.09	
-1898	C1	SLES	1	48.5712	77.448	70.7184	CC32A	1895	1899	1900	1901	-0.01	
-1899	H1B	SLES	1	47.5286	77.0679	70.7873	HCA2	1898	0	0	0	0.09	
-1900	H1A	SLES	1	48.7258	77.8793	69.7091	HCA2	1898	0	0	0	0.09	
-1901	O1	SLES	1	49.3021	76.1798	70.7044	OC30A	1898	1902	0	0	-0.34	
-1902	C1	SLES	1	49.4984	75.5882	69.3681	CTL2	1901	1903	1904	1905	-0.18	
-1903	H11	SLES	1	48.8683	76.1598	68.6629	HAL2	1902	0	0	0	0.09	
-1904	H12	SLES	1	50.5627	75.8356	69.1754	HAL2	1902	0	0	0	0.09	
-1905	C2	SLES	1	49.2615	74.0405	69.1558	CTL2	1902	1906	1907	1908	-0.18	
-1906	H21	SLES	1	48.9174	73.5897	70.1134	HAL2	1905	0	0	0	0.09	
-1907	H22	SLES	1	50.2264	73.5619	68.8792	HAL2	1905	0	0	0	0.09	
-1908	C3	SLES	1	48.1756	73.7356	68.0128	CTL2	1905	1909	1910	1911	-0.18	
-1909	H31	SLES	1	47.2177	73.4383	68.4948	HAL2	1908	0	0	0	0.09	
-1910	H32	SLES	1	47.9913	74.662	67.4332	HAL2	1908	0	0	0	0.09	
-1911	C4	SLES	1	48.6286	72.5879	67.018	CTL2	1908	1912	1913	1914	-0.18	
-1912	H41	SLES	1	48.1009	71.6492	67.2877	HAL2	1911	0	0	0	0.09	
-1913	H42	SLES	1	49.7197	72.413	67.1351	HAL2	1911	0	0	0	0.09	
-1914	C5	SLES	1	48.3209	72.9401	65.4928	CTL2	1911	1915	1916	1917	-0.18	
-1915	H51	SLES	1	47.5672	73.7573	65.4538	HAL2	1914	0	0	0	0.09	
-1916	H52	SLES	1	49.254	73.312	65.0113	HAL2	1914	0	0	0	0.09	
-1917	C6	SLES	1	47.779	71.7073	64.6755	CTL2	1914	1918	1919	1920	-0.18	
-1918	H61	SLES	1	46.7366	71.488	64.9984	HAL2	1917	0	0	0	0.09	
-1919	H62	SLES	1	47.7539	71.9735	63.5929	HAL2	1917	0	0	0	0.09	
-1920	C7	SLES	1	48.6509	70.4257	64.8636	CTL2	1917	1921	1922	1923	-0.18	
-1921	H71	SLES	1	48.3657	69.9298	65.8178	HAL2	1920	0	0	0	0.09	
-1922	H72	SLES	1	49.7213	70.7212	64.9366	HAL2	1920	0	0	0	0.09	
-1923	C8	SLES	1	48.4843	69.4148	63.7018	CTL2	1920	1924	1925	1926	-0.18	
-1924	H81	SLES	1	47.3996	69.2914	63.4791	HAL2	1923	0	0	0	0.09	
-1925	H82	SLES	1	48.9784	69.8228	62.7908	HAL2	1923	0	0	0	0.09	
-1926	C9	SLES	1	49.0943	68.0292	64.031	CTL2	1923	1927	1928	1929	-0.18	
-1927	H91	SLES	1	48.6207	67.6352	64.9588	HAL2	1926	0	0	0	0.09	
-1928	H92	SLES	1	50.1838	68.1494	64.226	HAL2	1926	0	0	0	0.09	
-1929	C10	SLES	1	48.896	67.0042	62.8893	CTL2	1926	1930	1931	1932	-0.18	
-1930	H10	SLES	1	47.8054	66.8662	62.7099	HAL2	1929	0	0	0	0.09	
-1931	H10	SLES	1	49.35	67.4073	61.9558	HAL2	1929	0	0	0	0.09	
-1932	C11	SLES	1	49.5349	65.6269	63.2097	CTL2	1929	1933	1934	1935	-0.18	
-1933	H11	SLES	1	49.0729	65.2248	64.1403	HAL2	1932	0	0	0	0.09	
-1934	H11	SLES	1	50.6218	65.7726	63.4061	HAL2	1932	0	0	0	0.09	
-1935	C12	SLES	1	49.3675	64.5815	62.0767	CTL3	1932	1936	1937	1938	-0.27	
-1936	H12	SLES	1	48.8172	63.6904	62.4512	HAL3	1935	0	0	0	0.09	
-1937	H12	SLES	1	50.3628	64.2526	61.7041	HAL3	1935	0	0	0	0.09	
-1938	H12	SLES	1	48.7982	65.0187	61.2277	HAL3	1935	0	0	0	0.09	
-1939	NA	SLES	1	39.057	80.887	77.7295	NA	0	0	0	0	1	
-1940	S	SLES	1	38.0222	81.6453	74.3083	SL	1941	1942	1943	1944	1.33	
-1941	OS1	SLES	1	38.8669	80.2704	74.7591	OSL	1940	1945	0	0	-0.28	
-1942	OS2	SLES	1	36.7994	81.6462	75.0843	O2L	1940	0	0	0	-0.65	
-1943	OS3	SLES	1	38.8495	82.7702	74.6918	O2L	1940	0	0	0	-0.65	
-1944	OS4	SLES	1	37.709	81.7224	72.8904	O2L	1940	0	0	0	-0.65	
-1945	C2	SLES	1	38.944	79.3148	73.6184	CC32A	1941	1946	1947	1948	-0.11	
-1946	H2A	SLES	1	37.9145	79.0721	73.2333	HCA2	1945	0	0	0	0.09	
-1947	H2B	SLES	1	39.5391	79.7928	72.7916	HCA2	1945	0	0	0	0.09	
-1948	C1	SLES	1	39.6708	77.9712	74.101	CC32A	1945	1949	1950	1951	-0.01	
-1949	H1B	SLES	1	39.1325	77.543	74.9775	HCA2	1948	0	0	0	0.09	
-1950	H1A	SLES	1	40.7219	78.1943	74.3985	HCA2	1948	0	0	0	0.09	
-1951	O1	SLES	1	39.7863	76.8204	73.1843	OC30A	1948	1952	0	0	-0.34	
-1952	C2	SLES	1	39.6007	77.0931	71.7794	CC32A	1951	1953	1954	1955	-0.01	
-1953	H2A	SLES	1	38.5633	77.4809	71.7602	HCA2	1952	0	0	0	0.09	
-1954	H2B	SLES	1	40.3031	77.9389	71.6046	HCA2	1952	0	0	0	0.09	
-1955	C1	SLES	1	39.7772	76.0241	70.6554	CC32A	1952	1956	1957	1958	-0.01	
-1956	H1B	SLES	1	38.8043	75.5236	70.4577	HCA2	1955	0	0	0	0.09	
-1957	H1A	SLES	1	40.115	76.5235	69.7253	HCA2	1955	0	0	0	0.09	
-1958	O1	SLES	1	40.642	74.8509	70.791	OC30A	1955	1959	0	0	-0.34	
-1959	C1	SLES	1	41.2259	74.3578	69.5301	CTL2	1958	1960	1961	1962	-0.18	
-1960	H11	SLES	1	40.7178	74.89	68.7056	HAL2	1959	0	0	0	0.09	
-1961	H12	SLES	1	42.2661	74.7359	69.6101	HAL2	1959	0	0	0	0.09	
-1962	C2	SLES	1	41.2417	72.8068	69.2297	CTL2	1959	1963	1964	1965	-0.18	
-1963	H21	SLES	1	40.7363	72.2689	70.0627	HAL2	1962	0	0	0	0.09	
-1964	H22	SLES	1	42.2966	72.4577	69.1868	HAL2	1962	0	0	0	0.09	
-1965	C3	SLES	1	40.5092	72.4403	67.8485	CTL2	1962	1966	1967	1968	-0.18	
-1966	H31	SLES	1	39.5081	72.0096	68.0737	HAL2	1965	0	0	0	0.09	
-1967	H32	SLES	1	40.3558	73.3689	67.2634	HAL2	1965	0	0	0	0.09	
-1968	C4	SLES	1	41.3273	71.4069	66.9682	CTL2	1965	1969	1970	1971	-0.18	
-1969	H41	SLES	1	40.8714	70.4008	67.0781	HAL2	1968	0	0	0	0.09	
-1970	H42	SLES	1	42.3713	71.3526	67.3451	HAL2	1968	0	0	0	0.09	
-1971	C5	SLES	1	41.354	71.8022	65.4229	CTL2	1968	1972	1973	1974	-0.18	
-1972	H51	SLES	1	40.5361	72.5282	65.2196	HAL2	1971	0	0	0	0.09	
-1973	H52	SLES	1	42.3218	72.3041	65.1937	HAL2	1971	0	0	0	0.09	
-1974	C6	SLES	1	41.1824	70.5606	64.4688	CTL2	1971	1975	1976	1977	-0.18	
-1975	H61	SLES	1	40.1286	70.2059	64.5209	HAL2	1974	0	0	0	0.09	
-1976	H62	SLES	1	41.3854	70.8794	63.4197	HAL2	1974	0	0	0	0.09	
-1977	C7	SLES	1	42.136	69.3795	64.8345	CTL2	1974	1978	1979	1980	-0.18	
-1978	H71	SLES	1	41.6938	68.804	65.6777	HAL2	1977	0	0	0	0.09	
-1979	H72	SLES	1	43.1121	69.7918	65.1747	HAL2	1977	0	0	0	0.09	
-1980	C8	SLES	1	42.3809	68.4195	63.6438	CTL2	1977	1981	1982	1983	-0.18	
-1981	H81	SLES	1	41.4057	68.1842	63.1592	HAL2	1980	0	0	0	0.09	
-1982	H82	SLES	1	43.0248	68.9296	62.8916	HAL2	1980	0	0	0	0.09	
-1983	C9	SLES	1	43.0615	67.0977	64.0797	CTL2	1980	1984	1985	1986	-0.18	
-1984	H91	SLES	1	42.4315	66.603	64.8535	HAL2	1983	0	0	0	0.09	
-1985	H92	SLES	1	44.0484	67.3318	64.5386	HAL2	1983	0	0	0	0.09	
-1986	C10	SLES	1	43.2728	66.119	62.9003	CTL2	1983	1987	1988	1989	-0.18	
-1987	H10	SLES	1	42.2832	65.8662	62.4558	HAL2	1986	0	0	0	0.09	
-1988	H10	SLES	1	43.884	66.6208	62.1164	HAL2	1986	0	0	0	0.09	
-1989	C11	SLES	1	43.9822	64.8091	63.3349	CTL2	1986	1990	1991	1992	-0.18	
-1990	H11	SLES	1	43.3637	64.3076	64.114	HAL2	1989	0	0	0	0.09	
-1991	H11	SLES	1	44.9631	65.0682	63.7951	HAL2	1989	0	0	0	0.09	
-1992	C12	SLES	1	44.2237	63.8133	62.1711	CTL3	1989	1993	1994	1995	-0.27	
-1993	H12	SLES	1	43.7148	62.8461	62.378	HAL3	1992	0	0	0	0.09	
-1994	H12	SLES	1	45.3123	63.6214	62.0462	HAL3	1992	0	0	0	0.09	
-1995	H12	SLES	1	43.8253	64.2267	61.219	HAL3	1992	0	0	0	0.09	
-1996	NA	SLES	1	29.0167	75.7973	77.7771	NA	0	0	0	0	1	
-1997	S	SLES	1	28.6407	76.8619	74.3021	SL	1998	1999	2000	2001	1.33	
-1998	OS1	SLES	1	29.5447	75.54	74.7948	OSL	1997	2002	0	0	-0.28	
-1999	OS2	SLES	1	27.2919	76.6346	74.7781	O2L	1997	0	0	0	-0.65	
-2000	OS3	SLES	1	29.2116	78.0121	74.9712	O2L	1997	0	0	0	-0.65	
-2001	OS4	SLES	1	28.6282	77.0815	72.8647	O2L	1997	0	0	0	-0.65	
-2002	C2	SLES	1	29.9878	74.7483	73.6127	CC32A	1998	2003	2004	2005	-0.11	
-2003	H2A	SLES	1	29.1047	74.4466	72.9832	HCA2	2002	0	0	0	0.09	
-2004	H2B	SLES	1	30.6762	75.3869	72.9927	HCA2	2002	0	0	0	0.09	
-2005	C1	SLES	1	30.7667	73.4407	74.1126	CC32A	2002	2006	2007	2008	-0.01	
-2006	H1B	SLES	1	30.116	72.851	74.7985	HCA2	2005	0	0	0	0.09	
-2007	H1A	SLES	1	31.6917	73.7363	74.6602	HCA2	2005	0	0	0	0.09	
-2008	O1	SLES	1	31.2251	72.4326	73.1372	OC30A	2005	2009	0	0	-0.34	
-2009	C2	SLES	1	31.3076	72.8571	71.7604	CC32A	2008	2010	2011	2012	-0.01	
-2010	H2A	SLES	1	30.256	73.1307	71.5456	HCA2	2009	0	0	0	0.09	
-2011	H2B	SLES	1	31.913	73.7886	71.8327	HCA2	2009	0	0	0	0.09	
-2012	C1	SLES	1	31.8583	71.9622	70.6059	CC32A	2009	2013	2014	2015	-0.01	
-2013	H1B	SLES	1	31.0245	71.3888	70.1454	HCA2	2012	0	0	0	0.09	
-2014	H1A	SLES	1	32.3168	72.6073	69.8298	HCA2	2012	0	0	0	0.09	
-2015	O1	SLES	1	32.822	70.8808	70.8174	OC30A	2012	2016	0	0	-0.34	
-2016	C1	SLES	1	33.7202	70.6147	69.6788	CTL2	2015	2017	2018	2019	-0.18	
-2017	H11	SLES	1	33.3328	71.1882	68.8172	HAL2	2016	0	0	0	0.09	
-2018	H12	SLES	1	34.6603	71.0892	70.0284	HAL2	2016	0	0	0	0.09	
-2019	C2	SLES	1	34.0043	69.1241	69.2388	CTL2	2016	2020	2021	2022	-0.18	
-2020	H21	SLES	1	33.4092	68.4353	69.8792	HAL2	2019	0	0	0	0.09	
-2021	H22	SLES	1	35.0809	68.8983	69.4012	HAL2	2019	0	0	0	0.09	
-2022	C3	SLES	1	33.6366	68.8567	67.6987	CTL2	2019	2023	2024	2025	-0.18	
-2023	H31	SLES	1	32.6765	68.2963	67.6486	HAL2	2022	0	0	0	0.09	
-2024	H32	SLES	1	33.4895	69.8293	67.1882	HAL2	2022	0	0	0	0.09	
-2025	C4	SLES	1	34.7522	68.0352	66.9288	CTL2	2022	2026	2027	2028	-0.18	
-2026	H41	SLES	1	34.4204	66.9802	66.8335	HAL2	2025	0	0	0	0.09	
-2027	H42	SLES	1	35.6902	68.0465	67.5245	HAL2	2025	0	0	0	0.09	
-2028	C5	SLES	1	35.0538	68.621	65.4759	CTL2	2025	2029	2030	2031	-0.18	
-2029	H51	SLES	1	34.209	69.2748	65.1655	HAL2	2028	0	0	0	0.09	
-2030	H52	SLES	1	35.9731	69.2485	65.5218	HAL2	2028	0	0	0	0.09	
-2031	C6	SLES	1	35.2542	67.4972	64.3905	CTL2	2028	2032	2033	2034	-0.18	
-2032	H61	SLES	1	34.2697	67.0278	64.1682	HAL2	2031	0	0	0	0.09	
-2033	H62	SLES	1	35.6313	67.9646	63.4509	HAL2	2031	0	0	0	0.09	
-2034	C7	SLES	1	36.2561	66.3889	64.8443	CTL2	2031	2035	2036	2037	-0.18	
-2035	H71	SLES	1	35.725	65.6684	65.5052	HAL2	2034	0	0	0	0.09	
-2036	H72	SLES	1	37.0744	66.8577	65.435	HAL2	2034	0	0	0	0.09	
-2037	C8	SLES	1	36.8728	65.6171	63.6513	CTL2	2034	2038	2039	2040	-0.18	
-2038	H81	SLES	1	36.0625	65.3409	62.9382	HAL2	2037	0	0	0	0.09	
-2039	H82	SLES	1	37.5885	66.2833	63.1178	HAL2	2037	0	0	0	0.09	
-2040	C9	SLES	1	37.614	64.3318	64.0976	CTL2	2037	2041	2042	2043	-0.18	
-2041	H91	SLES	1	36.9052	63.6796	64.6567	HAL2	2040	0	0	0	0.09	
-2042	H92	SLES	1	38.4412	64.6113	64.7883	HAL2	2040	0	0	0	0.09	
-2043	C10	SLES	1	38.1983	63.5366	62.9061	CTL2	2040	2044	2045	2046	-0.18	
-2044	H10	SLES	1	37.3679	63.2366	62.2269	HAL2	2043	0	0	0	0.09	
-2045	H10	SLES	1	38.8901	64.1951	62.3337	HAL2	2043	0	0	0	0.09	
-2046	C11	SLES	1	38.9661	62.2664	63.3589	CTL2	2043	2047	2048	2049	-0.18	
-2047	H11	SLES	1	38.2682	61.608	63.9251	HAL2	2046	0	0	0	0.09	
-2048	H11	SLES	1	39.7839	62.5696	64.0519	HAL2	2046	0	0	0	0.09	
-2049	C12	SLES	1	39.5785	61.4556	62.1876	CTL3	2046	2050	2051	2052	-0.27	
-2050	H12	SLES	1	39.1697	60.4211	62.1783	HAL3	2049	0	0	0	0.09	
-2051	H12	SLES	1	40.6844	61.3986	62.2936	HAL3	2049	0	0	0	0.09	
-2052	H12	SLES	1	39.3403	61.9396	61.2155	HAL3	2049	0	0	0	0.09	
-2053	NA	SLES	1	21.1145	67.7916	77.6269	NA	0	0	0	0	1	
-2054	S	SLES	1	21.1703	69.4337	74.3633	SL	2055	2056	2057	2058	1.33	
-2055	OS1	SLES	1	22.152	68.1452	74.7918	OSL	2054	2059	0	0	-0.28	
-2056	OS2	SLES	1	19.8052	68.983	74.5388	O2L	2054	0	0	0	-0.65	
-2057	OS3	SLES	1	21.4636	70.494	75.3048	O2L	2054	0	0	0	-0.65	
-2058	OS4	SLES	1	21.3631	69.9121	73.0038	O2L	2054	0	0	0	-0.65	
-2059	C2	SLES	1	22.885	67.6358	73.5986	CC32A	2055	2060	2061	2062	-0.11	
-2060	H2A	SLES	1	22.1655	67.3649	72.7764	HCA2	2059	0	0	0	0.09	
-2061	H2B	SLES	1	23.5726	68.4461	73.229	HCA2	2059	0	0	0	0.09	
-2062	C1	SLES	1	23.7413	66.3469	74.0134	CC32A	2059	2063	2064	2065	-0.01	
-2063	H1B	SLES	1	23.0731	65.5762	74.4619	HCA2	2062	0	0	0	0.09	
-2064	H1A	SLES	1	24.516	66.6314	74.763	HCA2	2062	0	0	0	0.09	
-2065	O1	SLES	1	24.4848	65.5895	72.988	OC30A	2062	2066	0	0	-0.34	
-2066	C2	SLES	1	24.7327	66.2669	71.7382	CC32A	2065	2067	2068	2069	-0.01	
-2067	H2A	SLES	1	23.7031	66.4642	71.3807	HCA2	2066	0	0	0	0.09	
-2068	H2B	SLES	1	25.1867	67.2271	72.0719	HCA2	2066	0	0	0	0.09	
-2069	C1	SLES	1	25.5804	65.6627	70.5747	CC32A	2066	2070	2071	2072	-0.01	
-2070	H1B	SLES	1	24.9181	65.1003	69.881	HCA2	2069	0	0	0	0.09	
-2071	H1A	SLES	1	26.0679	66.4841	70.0124	HCA2	2069	0	0	0	0.09	
-2072	O1	SLES	1	26.6338	64.6675	70.781	OC30A	2069	2073	0	0	-0.34	
-2073	C1	SLES	1	27.7333	64.7112	69.7996	CTL2	2072	2074	2075	2076	-0.18	
-2074	H11	SLES	1	27.4179	65.39	68.9868	HAL2	2073	0	0	0	0.09	
-2075	H12	SLES	1	28.5309	65.2085	70.3893	HAL2	2073	0	0	0	0.09	
-2076	C2	SLES	1	28.2842	63.3651	69.1823	CTL2	2073	2077	2078	2079	-0.18	
-2077	H21	SLES	1	27.6913	62.5117	69.5808	HAL2	2076	0	0	0	0.09	
-2078	H22	SLES	1	29.3405	63.2269	69.5014	HAL2	2076	0	0	0	0.09	
-2079	C3	SLES	1	28.2125	63.3495	67.5782	CTL2	2076	2080	2081	2082	-0.18	
-2080	H31	SLES	1	27.3581	62.7109	67.261	HAL2	2079	0	0	0	0.09	
-2081	H32	SLES	1	28.0205	64.3788	67.215	HAL2	2079	0	0	0	0.09	
-2082	C4	SLES	1	29.5394	62.805	66.9037	CTL2	2079	2083	2084	2085	-0.18	
-2083	H41	SLES	1	29.3733	61.757	66.5779	HAL2	2082	0	0	0	0.09	
-2084	H42	SLES	1	30.3573	62.8042	67.6559	HAL2	2082	0	0	0	0.09	
-2085	C5	SLES	1	29.9921	63.677	65.6468	CTL2	2082	2086	2087	2088	-0.18	
-2086	H51	SLES	1	29.1288	64.285	65.2969	HAL2	2085	0	0	0	0.09	
-2087	H52	SLES	1	30.7982	64.3778	65.9632	HAL2	2085	0	0	0	0.09	
-2088	C6	SLES	1	30.517	62.7999	64.4483	CTL2	2085	2089	2090	2091	-0.18	
-2089	H61	SLES	1	29.6546	62.2794	63.9747	HAL2	2088	0	0	0	0.09	
-2090	H62	SLES	1	30.9757	63.4693	63.6835	HAL2	2088	0	0	0	0.09	
-2091	C7	SLES	1	31.5718	61.7376	64.8921	CTL2	2088	2092	2093	2094	-0.18	
-2092	H71	SLES	1	31.0423	60.8561	65.317	HAL2	2091	0	0	0	0.09	
-2093	H72	SLES	1	32.2118	62.1722	65.692	HAL2	2091	0	0	0	0.09	
-2094	C8	SLES	1	32.4736	61.2677	63.7236	CTL2	2091	2095	2096	2097	-0.18	
-2095	H81	SLES	1	31.8354	61.0448	62.8379	HAL2	2094	0	0	0	0.09	
-2096	H82	SLES	1	33.1701	62.0918	63.4473	HAL2	2094	0	0	0	0.09	
-2097	C9	SLES	1	33.2988	60.0066	64.083	CTL2	2094	2098	2099	2100	-0.18	
-2098	H91	SLES	1	32.603	59.1921	64.3877	HAL2	2097	0	0	0	0.09	
-2099	H92	SLES	1	33.9567	60.2387	64.9506	HAL2	2097	0	0	0	0.09	
-2100	C10	SLES	1	34.1718	59.5101	62.9062	CTL2	2097	2101	2102	2103	-0.18	
-2101	H10	SLES	1	33.5116	59.2557	62.0459	HAL2	2100	0	0	0	0.09	
-2102	H10	SLES	1	34.8523	60.3315	62.5865	HAL2	2100	0	0	0	0.09	
-2103	C11	SLES	1	35.0199	58.2654	63.2794	CTL2	2100	2104	2105	2106	-0.18	
-2104	H11	SLES	1	34.3344	57.4447	63.5919	HAL2	2103	0	0	0	0.09	
-2105	H11	SLES	1	35.6651	58.5193	64.1514	HAL2	2103	0	0	0	0.09	
-2106	C12	SLES	1	35.9192	57.7529	62.1248	CTL3	2103	2107	2108	2109	-0.27	
-2107	H12	SLES	1	35.661	56.7011	61.8715	HAL3	2106	0	0	0	0.09	
-2108	H12	SLES	1	36.9904	57.7931	62.4221	HAL3	2106	0	0	0	0.09	
-2109	H12	SLES	1	35.7796	58.3804	61.2176	HAL3	2106	0	0	0	0.09	
-2110	NA	SLES	1	16.1693	57.7285	77.2935	NA	0	0	0	0	1	
-2111	S	SLES	1	16.3279	60.0615	74.486	SL	2112	2113	2114	2115	1.33	
-2112	OS1	SLES	1	17.4244	58.8225	74.7504	OSL	2111	2116	0	0	-0.28	
-2113	OS2	SLES	1	15.0238	59.4391	74.3898	O2L	2111	0	0	0	-0.65	
-2114	OS3	SLES	1	16.3845	60.9069	75.6601	O2L	2111	0	0	0	-0.65	
-2115	OS4	SLES	1	16.5883	60.8525	73.2939	O2L	2111	0	0	0	-0.65	
-2116	C2	SLES	1	18.332	58.6774	73.5775	CC32A	2112	2117	2118	2119	-0.11	
-2117	H2A	SLES	1	17.7389	58.5236	72.6332	HCA2	2116	0	0	0	0.09	
-2118	H2B	SLES	1	18.9394	59.6192	73.4772	HCA2	2116	0	0	0	0.09	
-2119	C1	SLES	1	19.3062	57.4277	73.813	CC32A	2116	2120	2121	2122	-0.01	
-2120	H1B	SLES	1	18.705	56.5085	74.0006	HCA2	2119	0	0	0	0.09	
-2121	H1A	SLES	1	19.9591	57.6169	74.6967	HCA2	2119	0	0	0	0.09	
-2122	O1	SLES	1	20.2404	57.0056	72.7514	OC30A	2119	2123	0	0	-0.34	
-2123	C2	SLES	1	20.5182	57.9704	71.7148	CC32A	2122	2124	2125	2126	-0.01	
-2124	H2A	SLES	1	19.5117	58.1318	71.2815	HCA2	2123	0	0	0	0.09	
-2125	H2B	SLES	1	20.8062	58.8734	72.2988	HCA2	2123	0	0	0	0.09	
-2126	C1	SLES	1	21.5484	57.7391	70.5649	CC32A	2123	2127	2128	2129	-0.01	
-2127	H1B	SLES	1	21.0378	57.2802	69.6904	HCA2	2126	0	0	0	0.09	
-2128	H1A	SLES	1	21.976	58.7137	70.2552	HCA2	2126	0	0	0	0.09	
-2129	O1	SLES	1	22.6988	56.8419	70.6852	OC30A	2126	2130	0	0	-0.34	
-2130	C1	SLES	1	23.874	57.2238	69.8808	CTL2	2129	2131	2132	2133	-0.18	
-2131	H11	SLES	1	23.553	58.0309	69.1977	HAL2	2130	0	0	0	0.09	
-2132	H12	SLES	1	24.537	57.6577	70.6576	HAL2	2130	0	0	0	0.09	
-2133	C2	SLES	1	24.656	56.1191	69.0656	CTL2	2130	2134	2135	2136	-0.18	
-2134	H21	SLES	1	24.1447	55.1392	69.1966	HAL2	2133	0	0	0	0.09	
-2135	H22	SLES	1	25.6847	56.0264	69.4776	HAL2	2133	0	0	0	0.09	
-2136	C3	SLES	1	24.7448	56.4585	67.4987	CTL2	2133	2137	2138	2139	-0.18	
-2137	H31	SLES	1	24.0177	55.8202	66.949	HAL2	2136	0	0	0	0.09	
-2138	H32	SLES	1	24.4551	57.5166	67.3412	HAL2	2136	0	0	0	0.09	
-2139	C4	SLES	1	26.1918	56.2261	66.8952	CTL2	2136	2140	2141	2142	-0.18	
-2140	H41	SLES	1	26.1986	55.2671	66.3363	HAL2	2139	0	0	0	0.09	
-2141	H42	SLES	1	26.9248	56.1431	67.7263	HAL2	2139	0	0	0	0.09	
-2142	C5	SLES	1	26.6466	57.4028	65.9187	CTL2	2139	2143	2144	2145	-0.18	
-2143	H51	SLES	1	25.7491	57.9779	65.6007	HAL2	2142	0	0	0	0.09	
-2144	H52	SLES	1	27.318	58.0963	66.4749	HAL2	2142	0	0	0	0.09	
-2145	C6	SLES	1	27.398	56.8805	64.6366	CTL2	2142	2146	2147	2148	-0.18	
-2146	H61	SLES	1	26.6627	56.391	63.9593	HAL2	2145	0	0	0	0.09	
-2147	H62	SLES	1	27.8371	57.7506	64.0948	HAL2	2145	0	0	0	0.09	
-2148	C7	SLES	1	28.5353	55.8649	64.9731	CTL2	2145	2149	2150	2151	-0.18	
-2149	H71	SLES	1	28.0878	54.8587	65.1316	HAL2	2148	0	0	0	0.09	
-2150	H72	SLES	1	29.0305	56.1737	65.9206	HAL2	2148	0	0	0	0.09	
-2151	C8	SLES	1	29.6016	55.7706	63.8535	CTL2	2148	2152	2153	2154	-0.18	
-2152	H81	SLES	1	29.0887	55.6863	62.8681	HAL2	2151	0	0	0	0.09	
-2153	H82	SLES	1	30.2068	56.7057	63.8477	HAL2	2151	0	0	0	0.09	
-2154	C9	SLES	1	30.547	54.5569	64.0374	CTL2	2151	2155	2156	2157	-0.18	
-2155	H91	SLES	1	29.9385	53.6248	64.0729	HAL2	2154	0	0	0	0.09	
-2156	H92	SLES	1	31.08	54.6562	65.0098	HAL2	2154	0	0	0	0.09	
-2157	C10	SLES	1	31.5892	54.4356	62.9006	CTL2	2154	2158	2159	2160	-0.18	
-2158	H10	SLES	1	31.0563	54.3127	61.9302	HAL2	2157	0	0	0	0.09	
-2159	H10	SLES	1	32.1834	55.3761	62.8501	HAL2	2157	0	0	0	0.09	
-2160	C11	SLES	1	32.5537	53.2372	63.1041	CTL2	2157	2161	2162	2163	-0.18	
-2161	H11	SLES	1	31.9554	52.2984	63.1471	HAL2	2160	0	0	0	0.09	
-2162	H11	SLES	1	33.0708	53.3552	64.0837	HAL2	2160	0	0	0	0.09	
-2163	C12	SLES	1	33.6219	53.0982	61.9887	CTL3	2160	2164	2165	2166	-0.27	
-2164	H12	SLES	1	33.5312	52.1093	61.4876	HAL3	2163	0	0	0	0.09	
-2165	H12	SLES	1	34.6439	53.1849	62.4193	HAL3	2163	0	0	0	0.09	
-2166	H12	SLES	1	33.4904	53.8957	61.2252	HAL3	2163	0	0	0	0.09	
-2167	NA	SLES	1	14.6582	46.6805	76.8096	NA	0	0	0	0	1	
-2168	S	SLES	1	14.5914	49.6329	74.658	SL	2169	2170	2171	2172	1.33	
-2169	OS1	SLES	1	15.827	48.5015	74.6748	OSL	2168	2173	0	0	-0.28	
-2170	OS2	SLES	1	13.3775	48.9074	74.3456	O2L	2168	0	0	0	-0.65	
-2171	OS3	SLES	1	14.5145	50.1654	76.0023	O2L	2168	0	0	0	-0.65	
-2172	OS4	SLES	1	14.7794	50.7166	73.7067	O2L	2168	0	0	0	-0.65	
-2173	C2	SLES	1	16.773	48.7537	73.5515	CC32A	2169	2174	2175	2176	-0.11	
-2174	H2A	SLES	1	16.2262	48.769	72.5677	HCA2	2173	0	0	0	0.09	
-2175	H2B	SLES	1	17.2607	49.7548	73.7131	HCA2	2173	0	0	0	0.09	
-2176	C1	SLES	1	17.8895	47.605	73.5311	CC32A	2173	2177	2178	2179	-0.01	
-2177	H1B	SLES	1	17.4031	46.605	73.4599	HCA2	2176	0	0	0	0.09	
-2178	H1A	SLES	1	18.4927	47.6455	74.4679	HCA2	2176	0	0	0	0.09	
-2179	O1	SLES	1	18.8938	47.5663	72.4505	OC30A	2176	2180	0	0	-0.34	
-2180	C2	SLES	1	19.0737	48.7812	71.6926	CC32A	2179	2181	2182	2183	-0.01	
-2181	H2A	SLES	1	18.0655	48.927	71.2578	HCA2	2180	0	0	0	0.09	
-2182	H2B	SLES	1	19.2332	49.5404	72.4911	HCA2	2180	0	0	0	0.09	
-2183	C1	SLES	1	20.1516	48.9589	70.5774	CC32A	2180	2184	2185	2186	-0.01	
-2184	H1B	SLES	1	19.7229	48.6728	69.5923	HCA2	2183	0	0	0	0.09	
-2185	H1A	SLES	1	20.4617	50.0222	70.5344	HCA2	2183	0	0	0	0.09	
-2186	O1	SLES	1	21.4016	48.198	70.5396	OC30A	2183	2187	0	0	-0.34	
-2187	C1	SLES	1	22.5387	48.898	69.9144	CTL2	2186	2188	2189	2190	-0.18	
-2188	H11	SLES	1	22.136	49.8054	69.4292	HAL2	2187	0	0	0	0.09	
-2189	H12	SLES	1	23.124	49.2014	70.8069	HAL2	2187	0	0	0	0.09	
-2190	C2	SLES	1	23.4712	48.1243	68.9003	CTL2	2187	2191	2192	2193	-0.18	
-2191	H21	SLES	1	23.083	47.0901	68.7644	HAL2	2190	0	0	0	0.09	
-2192	H22	SLES	1	24.4934	48.0523	69.3321	HAL2	2190	0	0	0	0.09	
-2193	C3	SLES	1	23.5541	48.8454	67.468	CTL2	2190	2194	2195	2196	-0.18	
-2194	H31	SLES	1	22.9253	48.2821	66.743	HAL2	2193	0	0	0	0.09	
-2195	H32	SLES	1	23.1388	49.8692	67.5543	HAL2	2193	0	0	0	0.09	
-2196	C4	SLES	1	25.0327	48.9359	66.9043	CTL2	2193	2197	2198	2199	-0.18	
-2197	H41	SLES	1	25.172	48.1506	66.1323	HAL2	2196	0	0	0	0.09	
-2198	H42	SLES	1	25.7505	48.7366	67.7289	HAL2	2196	0	0	0	0.09	
-2199	C5	SLES	1	25.3603	50.3604	66.2651	CTL2	2196	2200	2201	2202	-0.18	
-2200	H51	SLES	1	24.406	50.8888	66.0474	HAL2	2199	0	0	0	0.09	
-2201	H52	SLES	1	25.9268	50.9688	67.0066	HAL2	2199	0	0	0	0.09	
-2202	C6	SLES	1	26.2011	50.2583	64.937	CTL2	2199	2203	2204	2205	-0.18	
-2203	H61	SLES	1	25.5486	49.8686	64.1236	HAL2	2202	0	0	0	0.09	
-2204	H62	SLES	1	26.5411	51.2793	64.6444	HAL2	2202	0	0	0	0.09	
-2205	C7	SLES	1	27.4477	49.3289	65.0794	CTL2	2202	2206	2207	2208	-0.18	
-2206	H71	SLES	1	27.1253	48.27	64.9673	HAL2	2205	0	0	0	0.09	
-2207	H72	SLES	1	27.878	49.4508	66.0983	HAL2	2205	0	0	0	0.09	
-2208	C8	SLES	1	28.5436	49.6352	64.0285	CTL2	2205	2209	2210	2211	-0.18	
-2209	H81	SLES	1	28.0686	49.7367	63.0258	HAL2	2208	0	0	0	0.09	
-2210	H82	SLES	1	29.0276	50.6064	64.2799	HAL2	2208	0	0	0	0.09	
-2211	C9	SLES	1	29.6281	48.5305	63.9652	CTL2	2208	2212	2213	2214	-0.18	
-2212	H91	SLES	1	29.1397	47.5546	63.743	HAL2	2211	0	0	0	0.09	
-2213	H92	SLES	1	30.1215	48.449	64.9599	HAL2	2211	0	0	0	0.09	
-2214	C10	SLES	1	30.7039	48.8123	62.8898	CTL2	2211	2215	2216	2217	-0.18	
-2215	H10	SLES	1	30.2135	48.8706	61.8914	HAL2	2214	0	0	0	0.09	
-2216	H10	SLES	1	31.1774	49.7983	63.0987	HAL2	2214	0	0	0	0.09	
-2217	C11	SLES	1	31.805	47.7197	62.8502	CTL2	2214	2218	2219	2220	-0.18	
-2218	H11	SLES	1	31.3274	46.7366	62.6343	HAL2	2217	0	0	0	0.09	
-2219	H11	SLES	1	32.2801	47.6526	63.8556	HAL2	2217	0	0	0	0.09	
-2220	C12	SLES	1	32.9083	47.9822	61.7926	CTL3	2217	2221	2222	2223	-0.27	
-2221	H12	SLES	1	32.9533	47.1425	61.0644	HAL3	2220	0	0	0	0.09	
-2222	H12	SLES	1	33.9011	48.0775	62.2853	HAL3	2220	0	0	0	0.09	
-2223	H12	SLES	1	32.6966	48.9218	61.2374	HAL3	2220	0	0	0	0.09	
-2224	NA	SLES	1	16.6716	35.7958	76.2225	NA	0	0	0	0	1	
-2225	S	SLES	1	16.1513	39.147	74.8626	SL	2226	2227	2228	2229	1.33	
-2226	OS1	SLES	1	17.508	38.2076	74.5723	OSL	2225	2230	0	0	-0.28	
-2227	OS2	SLES	1	15.014	38.3726	74.4106	O2L	2225	0	0	0	-0.65	
-2228	OS3	SLES	1	16.0854	39.3268	76.2978	O2L	2225	0	0	0	-0.65	
-2229	OS4	SLES	1	16.1625	40.4423	74.2018	O2L	2225	0	0	0	-0.65	
-2230	C2	SLES	1	18.3575	38.8383	73.523	CC32A	2226	2231	2232	2233	-0.11	
-2231	H2A	SLES	1	17.7609	39.0215	72.5862	HCA2	2230	0	0	0	0.09	
-2232	H2B	SLES	1	18.7348	39.8238	73.9135	HCA2	2230	0	0	0	0.09	
-2233	C1	SLES	1	19.596	37.8764	73.1952	CC32A	2230	2234	2235	2236	-0.01	
-2234	H1B	SLES	1	19.2247	36.8704	72.8925	HCA2	2233	0	0	0	0.09	
-2235	H1A	SLES	1	20.2395	37.7653	74.0989	HCA2	2233	0	0	0	0.09	
-2236	O1	SLES	1	20.539	38.2241	72.1147	OC30A	2233	2237	0	0	-0.34	
-2237	C2	SLES	1	20.5374	39.5982	71.6738	CC32A	2236	2238	2239	2240	-0.01	
-2238	H2A	SLES	1	19.4974	39.7176	71.312	HCA2	2237	0	0	0	0.09	
-2239	H2B	SLES	1	20.6509	40.1569	72.63	HCA2	2237	0	0	0	0.09	
-2240	C1	SLES	1	21.5268	40.1717	70.611	CC32A	2237	2241	2242	2243	-0.01	
-2241	H1B	SLES	1	21.0819	40.0798	69.5963	HCA2	2240	0	0	0	0.09	
-2242	H1A	SLES	1	21.7099	41.2442	70.8226	HCA2	2240	0	0	0	0.09	
-2243	O1	SLES	1	22.8521	39.6039	70.3582	OC30A	2240	2244	0	0	-0.34	
-2244	C1	SLES	1	23.8664	40.5696	69.897	CTL2	2243	2245	2246	2247	-0.18	
-2245	H11	SLES	1	23.3367	41.5097	69.6589	HAL2	2244	0	0	0	0.09	
-2246	H12	SLES	1	24.4596	40.72	70.8226	HAL2	2244	0	0	0	0.09	
-2247	C2	SLES	1	24.8263	40.1847	68.7025	CTL2	2244	2248	2249	2250	-0.18	
-2248	H21	SLES	1	24.5529	39.1735	68.3264	HAL2	2247	0	0	0	0.09	
-2249	H22	SLES	1	25.8715	40.139	69.0792	HAL2	2247	0	0	0	0.09	
-2250	C3	SLES	1	24.7493	41.2337	67.4891	CTL2	2247	2251	2252	2253	-0.18	
-2251	H31	SLES	1	24.1517	40.7875	66.6632	HAL2	2250	0	0	0	0.09	
-2252	H32	SLES	1	24.2241	42.1468	67.8336	HAL2	2250	0	0	0	0.09	
-2253	C4	SLES	1	26.1755	41.6405	66.9301	CTL2	2250	2254	2255	2256	-0.18	
-2254	H41	SLES	1	26.3628	41.0874	65.986	HAL2	2253	0	0	0	0.09	
-2255	H42	SLES	1	26.9543	41.3396	67.6634	HAL2	2253	0	0	0	0.09	
-2256	C5	SLES	1	26.3026	43.2062	66.652	CTL2	2253	2257	2258	2259	-0.18	
-2257	H51	SLES	1	25.2836	43.6484	66.5931	HAL2	2256	0	0	0	0.09	
-2258	H52	SLES	1	26.8341	43.6842	67.5065	HAL2	2256	0	0	0	0.09	
-2259	C6	SLES	1	27.0776	43.532	65.3199	CTL2	2256	2260	2261	2262	-0.18	
-2260	H61	SLES	1	26.4318	43.2712	64.4515	HAL2	2259	0	0	0	0.09	
-2261	H62	SLES	1	27.2819	44.6275	65.2786	HAL2	2259	0	0	0	0.09	
-2262	C7	SLES	1	28.4286	42.7583	65.2006	CTL2	2259	2263	2264	2265	-0.18	
-2263	H71	SLES	1	28.2246	41.7257	64.84	HAL2	2262	0	0	0	0.09	
-2264	H72	SLES	1	28.8957	42.6842	66.2079	HAL2	2262	0	0	0	0.09	
-2265	C8	SLES	1	29.4245	43.4423	64.2313	CTL2	2262	2266	2267	2268	-0.18	
-2266	H81	SLES	1	28.8882	43.722	63.2956	HAL2	2265	0	0	0	0.09	
-2267	H82	SLES	1	29.8063	44.377	64.7016	HAL2	2265	0	0	0	0.09	
-2268	C9	SLES	1	30.6239	42.5291	63.8735	CTL2	2265	2269	2270	2271	-0.18	
-2269	H91	SLES	1	30.2398	41.5823	63.4304	HAL2	2268	0	0	0	0.09	
-2270	H92	SLES	1	31.1756	42.2729	64.8059	HAL2	2268	0	0	0	0.09	
-2271	C10	SLES	1	31.6013	43.1929	62.8748	CTL2	2268	2272	2273	2274	-0.18	
-2272	H10	SLES	1	31.055	43.4281	61.9331	HAL2	2271	0	0	0	0.09	
-2273	H10	SLES	1	31.9687	44.1508	63.3078	HAL2	2271	0	0	0	0.09	
-2274	C11	SLES	1	32.8171	42.2877	62.5426	CTL2	2271	2275	2276	2277	-0.18	
-2275	H11	SLES	1	32.4448	41.3338	62.1036	HAL2	2274	0	0	0	0.09	
-2276	H11	SLES	1	33.3496	42.0405	63.4893	HAL2	2274	0	0	0	0.09	
-2277	C12	SLES	1	33.8249	42.932	61.5559	CTL3	2274	2278	2279	2280	-0.27	
-2278	H12	SLES	1	33.9273	42.3045	60.6432	HAL3	2277	0	0	0	0.09	
-2279	H12	SLES	1	34.825	43.029	62.0333	HAL3	2277	0	0	0	0.09	
-2280	H12	SLES	1	33.4773	43.9438	61.2531	HAL3	2277	0	0	0	0.09	
-2281	NA	SLES	1	21.9272	26.16	75.5897	NA	0	0	0	0	1	
-2282	S	SLES	1	20.8845	29.6246	75.0797	SL	2283	2284	2285	2286	1.33	
-2283	OS1	SLES	1	22.2872	28.956	74.4529	OSL	2282	2287	0	0	-0.28	
-2284	OS2	SLES	1	19.7894	28.8203	74.5785	O2L	2282	0	0	0	-0.65	
-2285	OS3	SLES	1	20.9796	29.4853	76.5178	O2L	2282	0	0	0	-0.65	
-2286	OS4	SLES	1	20.674	31.0205	74.7308	O2L	2282	0	0	0	-0.65	
-2287	C2	SLES	1	22.9263	29.9016	73.4949	CC32A	2283	2288	2289	2290	-0.11	
-2288	H2A	SLES	1	22.2011	30.199	72.687	HCA2	2287	0	0	0	0.09	
-2289	H2B	SLES	1	23.2415	30.8229	74.059	HCA2	2287	0	0	0	0.09	
-2290	C1	SLES	1	24.2101	29.2036	72.8383	CC32A	2287	2291	2292	2293	-0.01	
-2291	H1B	SLES	1	23.914	28.2447	72.3542	HCA2	2290	0	0	0	0.09	
-2292	H1A	SLES	1	24.9697	28.9893	73.6258	HCA2	2290	0	0	0	0.09	
-2293	O1	SLES	1	24.9679	29.8942	71.777	OC30A	2290	2294	0	0	-0.34	
-2294	C2	SLES	1	24.7638	31.3181	71.6601	CC32A	2293	2295	2296	2297	-0.01	
-2295	H2A	SLES	1	23.68	31.3729	71.4386	HCA2	2294	0	0	0	0.09	
-2296	H2B	SLES	1	24.9353	31.671	72.702	HCA2	2294	0	0	0	0.09	
-2297	C1	SLES	1	25.5454	32.2297	70.6624	CC32A	2294	2298	2299	2300	-0.01	
-2298	H1B	SLES	1	24.9896	32.2972	69.7019	HCA2	2297	0	0	0	0.09	
-2299	H1A	SLES	1	25.6373	33.2474	71.0918	HCA2	2297	0	0	0	0.09	
-2300	O1	SLES	1	26.8819	31.9088	70.159	OC30A	2297	2301	0	0	-0.34	
-2301	C1	SLES	1	27.721	33.0758	69.8305	CTL2	2300	2302	2303	2304	-0.18	
-2302	H11	SLES	1	27.0679	33.9665	69.864	HAL2	2301	0	0	0	0.09	
-2303	H12	SLES	1	28.4057	33.1034	70.7032	HAL2	2301	0	0	0	0.09	
-2304	C2	SLES	1	28.5598	33.0836	68.4916	CTL2	2301	2305	2306	2307	-0.18	
-2305	H21	SLES	1	28.3516	32.1482	67.9255	HAL2	2304	0	0	0	0.09	
-2306	H22	SLES	1	29.6428	33.0975	68.7436	HAL2	2304	0	0	0	0.09	
-2307	C3	SLES	1	28.2197	34.3466	67.56	CTL2	2304	2308	2309	2310	-0.18	
-2308	H31	SLES	1	27.5749	34.0108	66.7175	HAL2	2307	0	0	0	0.09	
-2309	H32	SLES	1	27.6468	35.0881	68.1517	HAL2	2307	0	0	0	0.09	
-2310	C4	SLES	1	29.5129	35.0476	66.97	CTL2	2307	2311	2312	2313	-0.18	
-2311	H41	SLES	1	29.6391	34.7372	65.9117	HAL2	2310	0	0	0	0.09	
-2312	H42	SLES	1	30.4051	34.7036	67.5363	HAL2	2310	0	0	0	0.09	
-2313	C5	SLES	1	29.4356	36.6394	67.0416	CTL2	2310	2314	2315	2316	-0.18	
-2314	H51	SLES	1	28.3757	36.9454	67.1845	HAL2	2313	0	0	0	0.09	
-2315	H52	SLES	1	30.0154	36.9911	67.9255	HAL2	2313	0	0	0	0.09	
-2316	C6	SLES	1	29.9985	37.3401	65.748	CTL2	2313	2317	2318	2319	-0.18	
-2317	H61	SLES	1	29.2811	37.1865	64.9109	HAL2	2316	0	0	0	0.09	
-2318	H62	SLES	1	30.0774	38.4365	65.9353	HAL2	2316	0	0	0	0.09	
-2319	C7	SLES	1	31.3992	36.7948	65.3249	CTL2	2316	2320	2321	2322	-0.18	
-2320	H71	SLES	1	31.2637	35.8446	64.7622	HAL2	2319	0	0	0	0.09	
-2321	H72	SLES	1	31.9938	36.5711	66.2385	HAL2	2319	0	0	0	0.09	
-2322	C8	SLES	1	32.1869	37.7945	64.4421	CTL2	2319	2323	2324	2325	-0.18	
-2323	H81	SLES	1	31.511	38.193	63.6511	HAL2	2322	0	0	0	0.09	
-2324	H82	SLES	1	32.522	38.6501	65.0715	HAL2	2322	0	0	0	0.09	
-2325	C9	SLES	1	33.4232	37.1448	63.7713	CTL2	2322	2326	2327	2328	-0.18	
-2326	H91	SLES	1	33.0906	36.2713	63.1657	HAL2	2325	0	0	0	0.09	
-2327	H92	SLES	1	34.1115	36.7718	64.5628	HAL2	2325	0	0	0	0.09	
-2328	C10	SLES	1	34.1913	38.1287	62.8572	CTL2	2325	2329	2330	2331	-0.18	
-2329	H10	SLES	1	33.5095	38.484	62.0513	HAL2	2328	0	0	0	0.09	
-2330	H10	SLES	1	34.505	39.0128	63.4571	HAL2	2328	0	0	0	0.09	
-2331	C11	SLES	1	35.446	37.4835	62.2113	CTL2	2328	2332	2333	2334	-0.18	
-2332	H11	SLES	1	35.1263	36.6038	61.607	HAL2	2331	0	0	0	0.09	
-2333	H11	SLES	1	36.1161	37.1136	63.0208	HAL2	2331	0	0	0	0.09	
-2334	C12	SLES	1	36.2476	38.45	61.3015	CTL3	2331	2335	2336	2337	-0.27	
-2335	H12	SLES	1	36.3019	38.0496	60.2652	HAL3	2334	0	0	0	0.09	
-2336	H12	SLES	1	37.2833	38.5748	61.6879	HAL3	2334	0	0	0	0.09	
-2337	H12	SLES	1	35.7584	39.4479	61.2708	HAL3	2334	0	0	0	0.09	
-2338	NA	SLES	1	29.8295	18.6824	74.9732	NA	0	0	0	0	1	
-2339	S	SLES	1	28.3549	22.0106	75.2881	SL	2340	2341	2342	2343	1.33	
-2340	OS1	SLES	1	29.6799	21.6491	74.3283	OSL	2339	2344	0	0	-0.28	
-2341	OS2	SLES	1	27.2761	21.1584	74.8327	O2L	2339	0	0	0	-0.65	
-2342	OS3	SLES	1	28.7276	21.6526	76.6407	O2L	2339	0	0	0	-0.65	
-2343	OS4	SLES	1	27.9392	23.4033	75.2417	O2L	2339	0	0	0	-0.65	
-2344	C2	SLES	1	30.0291	22.816	73.47	CC32A	2340	2345	2346	2347	-0.11	
-2345	H2A	SLES	1	29.1404	23.1405	72.8601	HCA2	2344	0	0	0	0.09	
-2346	H2B	SLES	1	30.345	23.6669	74.1351	HCA2	2344	0	0	0	0.09	
-2347	C1	SLES	1	31.2355	22.4145	72.4953	CC32A	2344	2348	2349	2350	-0.01	
-2348	H1B	SLES	1	30.9569	21.5164	71.8976	HCA2	2347	0	0	0	0.09	
-2349	H1A	SLES	1	32.1454	22.1792	73.095	HCA2	2347	0	0	0	0.09	
-2350	O1	SLES	1	31.7083	23.3651	71.4704	OC30A	2347	2351	0	0	-0.34	
-2351	C2	SLES	1	31.3387	24.7481	71.653	CC32A	2350	2352	2353	2354	-0.01	
-2352	H2A	SLES	1	30.2329	24.6914	71.6254	HCA2	2351	0	0	0	0.09	
-2353	H2B	SLES	1	31.6616	24.9462	72.6999	HCA2	2351	0	0	0	0.09	
-2354	C1	SLES	1	31.8233	25.9075	70.7266	CC32A	2351	2355	2356	2357	-0.01	
-2355	H1B	SLES	1	31.0959	26.0552	69.8989	HCA2	2354	0	0	0	0.09	
-2356	H1A	SLES	1	31.8862	26.8444	71.3155	HCA2	2354	0	0	0	0.09	
-2357	O1	SLES	1	33.0702	25.8566	69.9614	OC30A	2354	2358	0	0	-0.34	
-2358	C1	SLES	1	33.7079	27.1642	69.7213	CTL2	2357	2359	2360	2361	-0.18	
-2359	H11	SLES	1	32.9828	27.941	70.0247	HAL2	2358	0	0	0	0.09	
-2360	H12	SLES	1	34.5351	27.1413	70.4605	HAL2	2358	0	0	0	0.09	
-2361	C2	SLES	1	34.2798	27.5037	68.2881	CTL2	2358	2362	2363	2364	-0.18	
-2362	H21	SLES	1	34.0696	26.6538	67.601	HAL2	2361	0	0	0	0.09	
-2363	H22	SLES	1	35.3832	27.6225	68.3582	HAL2	2361	0	0	0	0.09	
-2364	C3	SLES	1	33.6438	28.8441	67.6737	CTL2	2361	2365	2366	2367	-0.18	
-2365	H31	SLES	1	32.8933	28.5663	66.9004	HAL2	2364	0	0	0	0.09	
-2366	H32	SLES	1	33.1157	29.3948	68.4775	HAL2	2364	0	0	0	0.09	
-2367	C4	SLES	1	34.7257	29.8003	67.0201	CTL2	2364	2368	2369	2370	-0.18	
-2368	H41	SLES	1	34.6862	29.6868	65.9166	HAL2	2367	0	0	0	0.09	
-2369	H42	SLES	1	35.7379	29.4923	67.3599	HAL2	2367	0	0	0	0.09	
-2370	C5	SLES	1	34.4973	31.3338	67.3957	CTL2	2367	2371	2372	2373	-0.18	
-2371	H51	SLES	1	33.4559	31.4663	67.7636	HAL2	2370	0	0	0	0.09	
-2372	H52	SLES	1	35.1902	31.6116	68.2226	HAL2	2370	0	0	0	0.09	
-2373	C6	SLES	1	34.7357	32.3058	66.1793	CTL2	2370	2374	2375	2376	-0.18	
-2374	H61	SLES	1	33.8962	32.1954	65.4568	HAL2	2373	0	0	0	0.09	
-2375	H62	SLES	1	34.7329	33.3574	66.5502	HAL2	2373	0	0	0	0.09	
-2376	C7	SLES	1	36.0834	32.0313	65.4401	CTL2	2373	2377	2378	2379	-0.18	
-2377	H71	SLES	1	35.9463	31.1762	64.7415	HAL2	2376	0	0	0	0.09	
-2378	H72	SLES	1	36.8564	31.7438	66.1872	HAL2	2376	0	0	0	0.09	
-2379	C8	SLES	1	36.5861	33.2588	64.6402	CTL2	2376	2380	2381	2382	-0.18	
-2380	H81	SLES	1	35.7381	33.686	64.0574	HAL2	2379	0	0	0	0.09	
-2381	H82	SLES	1	36.9405	34.0375	65.3534	HAL2	2379	0	0	0	0.09	
-2382	C9	SLES	1	37.7384	32.9004	63.6685	CTL2	2379	2383	2384	2385	-0.18	
-2383	H91	SLES	1	37.3928	32.1006	62.9747	HAL2	2382	0	0	0	0.09	
-2384	H92	SLES	1	38.5959	32.4997	64.2545	HAL2	2382	0	0	0	0.09	
-2385	C10	SLES	1	38.2178	34.115	62.8387	CTL2	2382	2386	2387	2388	-0.18	
-2386	H10	SLES	1	37.3657	34.5017	62.2344	HAL2	2385	0	0	0	0.09	
-2387	H10	SLES	1	38.5428	34.9235	63.532	HAL2	2385	0	0	0	0.09	
-2388	C11	SLES	1	39.3922	33.7594	61.8889	CTL2	2385	2389	2390	2391	-0.18	
-2389	H11	SLES	1	39.0601	32.9552	61.1931	HAL2	2388	0	0	0	0.09	
-2390	H11	SLES	1	40.235	33.3564	62.4958	HAL2	2388	0	0	0	0.09	
-2391	C12	SLES	1	39.9069	34.9608	61.0545	CTL3	2388	2392	2393	2394	-0.27	
-2392	H12	SLES	1	39.8106	34.746	59.9674	HAL3	2391	0	0	0	0.09	
-2393	H12	SLES	1	40.9774	35.1597	61.2829	HAL3	2391	0	0	0	0.09	
-2394	H12	SLES	1	39.3191	35.8749	61.2887	HAL3	2391	0	0	0	0.09	
-2395	NA	SLES	1	39.5593	14.02	74.4333	NA	0	0	0	0	1	
-2396	S	SLES	1	37.8456	17.0769	75.4674	SL	2397	2398	2399	2400	1.33	
-2397	OS1	SLES	1	38.9505	16.9898	74.2108	OSL	2396	2401	0	0	-0.28	
-2398	OS2	SLES	1	36.7896	16.1384	75.1485	O2L	2396	0	0	0	-0.65	
-2399	OS3	SLES	1	38.5504	16.6402	76.6545	O2L	2396	0	0	0	-0.65	
-2400	OS4	SLES	1	37.2832	18.4002	75.6847	O2L	2396	0	0	0	-0.65	
-2401	C2	SLES	1	38.9696	18.2712	73.4506	CC32A	2397	2402	2403	2404	-0.11	
-2402	H2A	SLES	1	37.9365	18.5337	73.0887	HCA2	2401	0	0	0	0.09	
-2403	H2B	SLES	1	39.3344	19.0869	74.1345	HCA2	2401	0	0	0	0.09	
-2404	C1	SLES	1	39.9605	18.1304	72.1998	CC32A	2401	2405	2406	2407	-0.01	
-2405	H1B	SLES	1	39.6522	17.2664	71.5673	HCA2	2404	0	0	0	0.09	
-2406	H1A	SLES	1	41.0023	17.9597	72.5584	HCA2	2404	0	0	0	0.09	
-2407	O1	SLES	1	40.0849	19.2313	71.2248	OC30A	2404	2408	0	0	-0.34	
-2408	C2	SLES	1	39.6199	20.5285	71.6532	CC32A	2407	2409	2410	2411	-0.01	
-2409	H2A	SLES	1	38.5491	20.3291	71.854	HCA2	2408	0	0	0	0.09	
-2410	H2B	SLES	1	40.1478	20.6638	72.624	HCA2	2408	0	0	0	0.09	
-2411	C1	SLES	1	39.7555	21.8271	70.7973	CC32A	2408	2412	2413	2414	-0.01	
-2412	H1B	SLES	1	38.8485	21.958	70.1679	HCA2	2411	0	0	0	0.09	
-2413	H1A	SLES	1	39.8489	22.7018	71.4718	HCA2	2411	0	0	0	0.09	
-2414	O1	SLES	1	40.7954	22.017	69.7847	OC30A	2411	2415	0	0	-0.34	
-2415	C1	SLES	1	41.2183	23.4146	69.58	CTL2	2414	2416	2417	2418	-0.18	
-2416	H11	SLES	1	40.5015	24.0551	70.125	HAL2	2415	0	0	0	0.09	
-2417	H12	SLES	1	42.1887	23.4287	70.1181	HAL2	2415	0	0	0	0.09	
-2418	C2	SLES	1	41.412	23.9659	68.1121	CTL2	2415	2419	2420	2421	-0.18	
-2419	H21	SLES	1	41.1444	23.1673	67.3845	HAL2	2418	0	0	0	0.09	
-2420	H22	SLES	1	42.4835	24.2221	67.9607	HAL2	2418	0	0	0	0.09	
-2421	C3	SLES	1	40.5137	25.2643	67.8191	CTL2	2418	2422	2423	2424	-0.18	
-2422	H31	SLES	1	39.6422	24.967	67.1942	HAL2	2421	0	0	0	0.09	
-2423	H32	SLES	1	40.1248	25.6587	68.779	HAL2	2421	0	0	0	0.09	
-2424	C4	SLES	1	41.3109	26.4146	67.0755	CTL2	2421	2425	2426	2427	-0.18	
-2425	H41	SLES	1	41.0356	26.4059	66.0002	HAL2	2424	0	0	0	0.09	
-2426	H42	SLES	1	42.4008	26.2113	67.1515	HAL2	2424	0	0	0	0.09	
-2427	C5	SLES	1	41.0101	27.8601	67.6797	CTL2	2424	2428	2429	2430	-0.18	
-2428	H51	SLES	1	40.0707	27.8169	68.2738	HAL2	2427	0	0	0	0.09	
-2429	H52	SLES	1	41.838	28.1445	68.3688	HAL2	2427	0	0	0	0.09	
-2430	C6	SLES	1	40.862	28.9698	66.5716	CTL2	2427	2431	2432	2433	-0.18	
-2431	H61	SLES	1	39.8977	28.8209	66.0357	HAL2	2430	0	0	0	0.09	
-2432	H62	SLES	1	40.8302	29.9703	67.0632	HAL2	2430	0	0	0	0.09	
-2433	C7	SLES	1	42.0293	28.9498	65.5348	CTL2	2430	2434	2435	2436	-0.18	
-2434	H71	SLES	1	41.8306	28.157	64.78	HAL2	2433	0	0	0	0.09	
-2435	H72	SLES	1	42.9773	28.6951	66.059	HAL2	2433	0	0	0	0.09	
-2436	C8	SLES	1	42.2038	30.3057	64.8063	CTL2	2433	2437	2438	2439	-0.18	
-2437	H81	SLES	1	41.2052	30.6722	64.4749	HAL2	2436	0	0	0	0.09	
-2438	H82	SLES	1	42.6243	31.0506	65.5197	HAL2	2436	0	0	0	0.09	
-2439	C9	SLES	1	43.1384	30.2	63.5752	CTL2	2436	2440	2441	2442	-0.18	
-2440	H91	SLES	1	42.7328	29.4336	62.8762	HAL2	2439	0	0	0	0.09	
-2441	H92	SLES	1	44.144	29.8605	63.9111	HAL2	2439	0	0	0	0.09	
-2442	C10	SLES	1	43.2848	31.5428	62.821	CTL2	2439	2443	2444	2445	-0.18	
-2443	H10	SLES	1	42.2819	31.871	62.4645	HAL2	2442	0	0	0	0.09	
-2444	H10	SLES	1	43.6693	32.3152	63.525	HAL2	2442	0	0	0	0.09	
-2445	C11	SLES	1	44.2456	31.4407	61.6068	CTL2	2442	2446	2447	2448	-0.18	
-2446	H11	SLES	1	43.8531	30.6719	60.9024	HAL2	2445	0	0	0	0.09	
-2447	H11	SLES	1	45.2419	31.095	61.9658	HAL2	2445	0	0	0	0.09	
-2448	C12	SLES	1	44.4266	32.7757	60.8391	CTL3	2445	2449	2450	2451	-0.27	
-2449	H12	SLES	1	44.1108	32.6579	59.779	HAL3	2448	0	0	0	0.09	
-2450	H12	SLES	1	45.4933	33.0909	60.8581	HAL3	2448	0	0	0	0.09	
-2451	H12	SLES	1	43.8122	33.5766	61.305	HAL3	2448	0	0	0	0.09	
-2452	NA	SLES	1	50.1713	12.5417	74.0228	NA	0	0	0	0	1	
-2453	S	SLES	1	48.4237	15.3361	75.6	SL	2454	2455	2456	2457	1.33	
-2454	OS1	SLES	1	49.1892	15.4169	74.1118	OSL	2453	2458	0	0	-0.28	
-2455	OS2	SLES	1	47.4369	14.2813	75.4949	O2L	2453	0	0	0	-0.65	
-2456	OS3	SLES	1	49.4434	14.9626	76.5578	O2L	2453	0	0	0	-0.65	
-2457	OS4	SLES	1	47.7834	16.5735	76.0164	O2L	2453	0	0	0	-0.65	
-2458	C2	SLES	1	48.8739	16.7084	73.4387	CC32A	2454	2459	2460	2461	-0.11	
-2459	H2A	SLES	1	47.7605	16.8487	73.3504	HCA2	2458	0	0	0	0.09	
-2460	H2B	SLES	1	49.299	17.5467	74.0573	HCA2	2458	0	0	0	0.09	
-2461	C1	SLES	1	49.5374	16.7217	71.9806	CC32A	2458	2462	2463	2464	-0.01	
-2462	H1B	SLES	1	49.1848	15.8412	71.3957	HCA2	2461	0	0	0	0.09	
-2463	H1A	SLES	1	50.6478	16.6736	72.0686	HCA2	2461	0	0	0	0.09	
-2464	O1	SLES	1	49.2915	17.8522	71.0644	OC30A	2461	2465	0	0	-0.34	
-2465	C2	SLES	1	48.7997	19.071	71.6605	CC32A	2464	2466	2467	2468	-0.01	
-2466	H2A	SLES	1	47.8411	18.7351	72.102	HCA2	2465	0	0	0	0.09	
-2467	H2B	SLES	1	49.5303	19.2479	72.4817	HCA2	2465	0	0	0	0.09	
-2468	C1	SLES	1	48.5712	20.3962	70.8676	CC32A	2465	2469	2470	2471	-0.01	
-2469	H1B	SLES	1	47.5286	20.428	70.4827	HCA2	2468	0	0	0	0.09	
-2470	H1A	SLES	1	48.7258	21.2595	71.5455	HCA2	2468	0	0	0	0.09	
-2471	O1	SLES	1	49.3021	20.738	69.6462	OC30A	2468	2472	0	0	-0.34	
-2472	C1	SLES	1	49.4984	22.1818	69.4207	CTL2	2471	2473	2474	2475	-0.18	
-2473	H11	SLES	1	48.8683	22.715	70.1553	HAL2	2472	0	0	0	0.09	
-2474	H12	SLES	1	50.5627	22.3039	69.7095	HAL2	2472	0	0	0	0.09	
-2475	C2	SLES	1	49.2615	22.7874	67.9807	CTL2	2472	2476	2477	2478	-0.18	
-2476	H21	SLES	1	48.9174	21.9792	67.2973	HAL2	2475	0	0	0	0.09	
-2477	H22	SLES	1	50.2264	23.1785	67.59	HAL2	2475	0	0	0	0.09	
-2478	C3	SLES	1	48.1756	23.9704	67.9819	CTL2	2475	2479	2480	2481	-0.18	
-2479	H31	SLES	1	47.2177	23.5818	67.57	HAL2	2478	0	0	0	0.09	
-2480	H32	SLES	1	47.9913	24.2905	69.0268	HAL2	2478	0	0	0	0.09	
-2481	C4	SLES	1	48.6286	25.2284	67.1308	CTL2	2478	2482	2483	2484	-0.18	
-2482	H41	SLES	1	48.1009	25.2108	66.1544	HAL2	2481	0	0	0	0.09	
-2483	H42	SLES	1	49.7197	25.1605	66.9316	HAL2	2481	0	0	0	0.09	
-2484	C5	SLES	1	48.3209	26.6105	67.8658	CTL2	2481	2485	2486	2487	-0.18	
-2485	H51	SLES	1	47.5672	26.4366	68.6652	HAL2	2484	0	0	0	0.09	
-2486	H52	SLES	1	49.254	26.9793	68.3497	HAL2	2484	0	0	0	0.09	
-2487	C6	SLES	1	47.779	27.719	66.8866	CTL2	2484	2488	2489	2490	-0.18	
-2488	H61	SLES	1	46.7366	27.4639	66.5911	HAL2	2487	0	0	0	0.09	
-2489	H62	SLES	1	47.7539	28.6958	67.4239	HAL2	2487	0	0	0	0.09	
-2490	C7	SLES	1	48.6509	27.869	65.5999	CTL2	2487	2491	2492	2493	-0.18	
-2491	H71	SLES	1	48.3657	27.0756	64.874	HAL2	2490	0	0	0	0.09	
-2492	H72	SLES	1	49.7213	27.722	65.8664	HAL2	2490	0	0	0	0.09	
-2493	C8	SLES	1	48.4843	29.2528	64.9242	CTL2	2490	2494	2495	2496	-0.18	
-2494	H81	SLES	1	47.3996	29.4999	64.8626	HAL2	2493	0	0	0	0.09	
-2495	H82	SLES	1	48.9784	30.0272	65.5541	HAL2	2493	0	0	0	0.09	
-2496	C9	SLES	1	49.0943	29.2935	63.5006	CTL2	2493	2497	2498	2499	-0.18	
-2497	H91	SLES	1	48.6207	28.4992	62.8798	HAL2	2496	0	0	0	0.09	
-2498	H92	SLES	1	50.1838	29.074	63.5663	HAL2	2496	0	0	0	0.09	
-2499	C10	SLES	1	48.896	30.6615	62.806	CTL2	2496	2500	2501	2502	-0.18	
-2500	H10	SLES	1	47.8054	30.8706	62.7191	HAL2	2499	0	0	0	0.09	
-2501	H10	SLES	1	49.35	31.4589	63.437	HAL2	2499	0	0	0	0.09	
-2502	C11	SLES	1	49.5349	30.7085	61.3927	CTL2	2499	2503	2504	2505	-0.18	
-2503	H11	SLES	1	49.0729	29.9137	60.7634	HAL2	2502	0	0	0	0.09	
-2504	H11	SLES	1	50.6218	30.4811	61.4826	HAL2	2502	0	0	0	0.09	
-2505	C12	SLES	1	49.3675	32.0735	60.6762	CTL3	2502	2506	2507	2508	-0.27	
-2506	H12	SLES	1	48.8172	31.9424	59.7185	HAL3	2505	0	0	0	0.09	
-2507	H12	SLES	1	50.3628	32.5185	60.4549	HAL3	2505	0	0	0	0.09	
-2508	H12	SLES	1	48.7982	32.7804	61.3182	HAL3	2505	0	0	0	0.09	
-2509	NA	SLES	1	60.6841	14.3255	73.7819	NA	0	0	0	0	1	
-2510	S	SLES	1	59.0331	16.9805	75.6729	SL	2511	2512	2513	2514	1.33	
-2511	OS1	SLES	1	59.4021	17.0694	74.041	OSL	2510	2515	0	0	-0.28	
-2512	OS2	SLES	1	58.1893	15.8151	75.8379	O2L	2510	0	0	0	-0.65	
-2513	OS3	SLES	1	60.2915	16.7783	76.3601	O2L	2510	0	0	0	-0.65	
-2514	OS4	SLES	1	58.3629	18.1565	76.2042	O2L	2510	0	0	0	-0.65	
-2515	C2	SLES	1	58.776	18.2784	73.4354	CC32A	2511	2516	2517	2518	-0.11	
-2516	H2A	SLES	1	57.6655	18.2848	73.6194	HCA2	2515	0	0	0	0.09	
-2517	H2B	SLES	1	59.2295	19.1917	73.9109	HCA2	2515	0	0	0	0.09	
-2518	C1	SLES	1	59.0624	18.2901	71.8593	CC32A	2515	2519	2520	2521	-0.01	
-2519	H1B	SLES	1	58.692	17.345	71.3997	HCA2	2518	0	0	0	0.09	
-2520	H1A	SLES	1	60.1585	18.3748	71.6735	HCA2	2518	0	0	0	0.09	
-2521	O1	SLES	1	58.4646	19.3344	71.0049	OC30A	2518	2522	0	0	-0.34	
-2522	C2	SLES	1	57.9828	20.5186	71.6744	CC32A	2521	2523	2524	2525	-0.01	
-2523	H2A	SLES	1	57.2079	20.0987	72.3452	HCA2	2522	0	0	0	0.09	
-2524	H2B	SLES	1	58.8616	20.8218	72.2869	HCA2	2522	0	0	0	0.09	
-2525	C1	SLES	1	57.4071	21.7647	70.9306	CC32A	2522	2526	2527	2528	-0.01	
-2526	H1B	SLES	1	56.307	21.6557	70.8123	HCA2	2525	0	0	0	0.09	
-2527	H1A	SLES	1	57.6115	22.6748	71.5292	HCA2	2525	0	0	0	0.09	
-2528	O1	SLES	1	57.7745	22.1226	69.5596	OC30A	2525	2529	0	0	-0.34	
-2529	C1	SLES	1	57.7294	23.5653	69.2587	CTL2	2528	2530	2531	2532	-0.18	
-2530	H11	SLES	1	57.2332	24.061	70.1126	HAL2	2529	0	0	0	0.09	
-2531	H12	SLES	1	58.8083	23.8242	69.2748	HAL2	2529	0	0	0	0.09	
-2532	C2	SLES	1	57.0798	24.0622	67.9068	CTL2	2529	2533	2534	2535	-0.18	
-2533	H21	SLES	1	56.6848	23.1844	67.348	HAL2	2532	0	0	0	0.09	
-2534	H22	SLES	1	57.8659	24.5402	67.2824	HAL2	2532	0	0	0	0.09	
-2535	C3	SLES	1	55.8875	25.1108	68.1463	CTL2	2532	2536	2537	2538	-0.18	
-2536	H31	SLES	1	54.9146	24.5933	67.9911	HAL2	2535	0	0	0	0.09	
-2537	H32	SLES	1	55.9214	25.4628	69.1966	HAL2	2535	0	0	0	0.09	
-2538	C4	SLES	1	55.9622	26.3653	67.1806	CTL2	2535	2539	2540	2541	-0.18	
-2539	H41	SLES	1	55.2216	26.2352	66.364	HAL2	2538	0	0	0	0.09	
-2540	H42	SLES	1	56.9731	26.4129	66.7216	HAL2	2538	0	0	0	0.09	
-2541	C5	SLES	1	55.6707	27.7401	67.9357	CTL2	2538	2542	2543	2544	-0.18	
-2542	H51	SLES	1	55.159	27.5236	68.8994	HAL2	2541	0	0	0	0.09	
-2543	H52	SLES	1	56.6394	28.239	68.1672	HAL2	2541	0	0	0	0.09	
-2544	C6	SLES	1	54.7756	28.7252	67.0933	CTL2	2541	2545	2546	2547	-0.18	
-2545	H61	SLES	1	53.7328	28.3365	67.0685	HAL2	2544	0	0	0	0.09	
-2546	H62	SLES	1	54.759	29.7198	67.5971	HAL2	2544	0	0	0	0.09	
-2547	C7	SLES	1	55.2868	28.9057	65.629	CTL2	2544	2548	2549	2550	-0.18	
-2548	H71	SLES	1	54.9365	28.0472	65.0141	HAL2	2547	0	0	0	0.09	
-2549	H72	SLES	1	56.3996	28.8971	65.6283	HAL2	2547	0	0	0	0.09	
-2550	C8	SLES	1	54.7917	30.2232	64.9822	CTL2	2547	2551	2552	2553	-0.18	
-2551	H81	SLES	1	53.7019	30.3402	65.1826	HAL2	2550	0	0	0	0.09	
-2552	H82	SLES	1	55.3224	31.0817	65.4533	HAL2	2550	0	0	0	0.09	
-2553	C9	SLES	1	55.0315	30.2578	63.4519	CTL2	2550	2554	2555	2556	-0.18	
-2554	H91	SLES	1	54.5252	29.3825	62.9852	HAL2	2553	0	0	0	0.09	
-2555	H92	SLES	1	56.1234	30.1689	63.2537	HAL2	2553	0	0	0	0.09	
-2556	C10	SLES	1	54.5033	31.555	62.795	CTL2	2553	2557	2558	2559	-0.18	
-2557	H10	SLES	1	53.4064	31.6324	62.9732	HAL2	2556	0	0	0	0.09	
-2558	H10	SLES	1	54.9927	32.4318	63.2764	HAL2	2556	0	0	0	0.09	
-2559	C11	SLES	1	54.7726	31.5998	61.2675	CTL2	2556	2560	2561	2562	-0.18	
-2560	H11	SLES	1	54.2754	30.7248	60.7897	HAL2	2559	0	0	0	0.09	
-2561	H11	SLES	1	55.8688	31.504	61.0936	HAL2	2559	0	0	0	0.09	
-2562	C12	SLES	1	54.2692	32.8963	60.5818	CTL3	2559	2563	2564	2565	-0.27	
-2563	H12	SLES	1	53.5254	32.652	59.7917	HAL3	2562	0	0	0	0.09	
-2564	H12	SLES	1	55.1186	33.4404	60.1129	HAL3	2562	0	0	0	0.09	
-2565	H12	SLES	1	53.7875	33.5663	61.3269	HAL3	2562	0	0	0	0.09	
-2566	NA	SLES	1	70.154	19.1767	73.7343	NA	0	0	0	0	1	
-2567	S	SLES	1	68.6058	21.8546	75.6791	SL	2568	2569	2570	2571	1.33	
-2568	OS1	SLES	1	68.605	21.778	74.0054	OSL	2567	2572	0	0	-0.28	
-2569	OS2	SLES	1	67.9778	20.6353	76.1441	O2L	2567	0	0	0	-0.65	
-2570	OS3	SLES	1	69.9968	21.8761	76.0807	O2L	2567	0	0	0	-0.65	
-2571	OS4	SLES	1	67.9141	23.0091	76.2299	O2L	2567	0	0	0	-0.65	
-2572	C2	SLES	1	67.7104	22.8276	73.4411	CC32A	2568	2573	2574	2575	-0.11	
-2573	H2A	SLES	1	66.6733	22.7378	73.8696	HCA2	2572	0	0	0	0.09	
-2574	H2B	SLES	1	68.1297	23.8366	73.7097	HCA2	2572	0	0	0	0.09	
-2575	C1	SLES	1	67.6516	22.6729	71.8476	CC32A	2572	2576	2577	2578	-0.01	
-2576	H1B	SLES	1	67.3204	21.6436	71.5787	HCA2	2575	0	0	0	0.09	
-2577	H1A	SLES	1	68.6623	22.8507	71.4117	HCA2	2575	0	0	0	0.09	
-2578	O1	SLES	1	66.7534	23.532	71.052	OC30A	2575	2579	0	0	-0.34	
-2579	C2	SLES	1	66.2725	24.732	71.6933	CC32A	2578	2580	2581	2582	-0.01	
-2580	H2A	SLES	1	65.7201	24.3186	72.5598	HCA2	2579	0	0	0	0.09	
-2581	H2B	SLES	1	67.2132	25.202	72.0588	HCA2	2579	0	0	0	0.09	
-2582	C1	SLES	1	65.3925	25.8063	70.9801	CC32A	2579	2583	2584	2585	-0.01	
-2583	H1B	SLES	1	64.3167	25.5661	71.1246	HCA2	2582	0	0	0	0.09	
-2584	H1A	SLES	1	65.5971	26.8008	71.4247	HCA2	2582	0	0	0	0.09	
-2585	O1	SLES	1	65.4099	26.0275	69.5332	OC30A	2582	2586	0	0	-0.34	
-2586	C1	SLES	1	65.1117	27.4081	69.11	CTL2	2585	2587	2588	2589	-0.18	
-2587	H11	SLES	1	64.7469	27.9504	70.001	HAL2	2586	0	0	0	0.09	
-2588	H12	SLES	1	66.1255	27.7812	68.8565	HAL2	2586	0	0	0	0.09	
-2589	C2	SLES	1	64.1301	27.6595	67.8977	CTL2	2586	2590	2591	2592	-0.18	
-2590	H21	SLES	1	63.7451	26.6815	67.5315	HAL2	2589	0	0	0	0.09	
-2591	H22	SLES	1	64.6955	28.1373	67.068	HAL2	2589	0	0	0	0.09	
-2592	C3	SLES	1	62.8878	28.5958	68.2961	CTL2	2589	2593	2594	2595	-0.18	
-2593	H31	SLES	1	61.9814	27.9616	68.4162	HAL2	2592	0	0	0	0.09	
-2594	H32	SLES	1	63.0971	29.0779	69.2718	HAL2	2592	0	0	0	0.09	
-2595	C4	SLES	1	62.5894	29.7205	67.22	CTL2	2592	2596	2597	2598	-0.18	
-2596	H41	SLES	1	61.7162	29.4107	66.6086	HAL2	2595	0	0	0	0.09	
-2597	H42	SLES	1	63.4645	29.8185	66.5421	HAL2	2595	0	0	0	0.09	
-2598	C5	SLES	1	62.2856	31.1396	67.8826	CTL2	2595	2599	2600	2601	-0.18	
-2599	H51	SLES	1	62.0233	30.9916	68.9535	HAL2	2598	0	0	0	0.09	
-2600	H52	SLES	1	63.2068	31.7646	67.8392	HAL2	2598	0	0	0	0.09	
-2601	C6	SLES	1	61.1099	31.9099	67.1716	CTL2	2598	2602	2603	2604	-0.18	
-2602	H61	SLES	1	60.1464	31.4116	67.4213	HAL2	2601	0	0	0	0.09	
-2603	H62	SLES	1	61.0693	32.9522	67.5659	HAL2	2601	0	0	0	0.09	
-2604	C7	SLES	1	61.2703	31.9598	65.6192	CTL2	2601	2605	2606	2607	-0.18	
-2605	H71	SLES	1	60.9141	30.9986	65.1866	HAL2	2604	0	0	0	0.09	
-2606	H72	SLES	1	62.3487	32.0706	65.368	HAL2	2604	0	0	0	0.09	
-2607	C8	SLES	1	60.4794	33.1253	64.9747	CTL2	2604	2608	2609	2610	-0.18	
-2608	H81	SLES	1	59.4514	33.1489	65.4035	HAL2	2607	0	0	0	0.09	
-2609	H82	SLES	1	60.9798	34.088	65.227	HAL2	2607	0	0	0	0.09	
-2610	C9	SLES	1	60.3823	32.994	63.434	CTL2	2607	2611	2612	2613	-0.18	
-2611	H91	SLES	1	59.9087	32.0179	63.182	HAL2	2610	0	0	0	0.09	
-2612	H92	SLES	1	61.4092	32.9986	63.004	HAL2	2610	0	0	0	0.09	
-2613	C10	SLES	1	59.5599	34.1347	62.7892	CTL2	2610	2614	2615	2616	-0.18	
-2614	H10	SLES	1	58.5255	34.1156	63.2021	HAL2	2613	0	0	0	0.09	
-2615	H10	SLES	1	60.0201	35.1122	63.0591	HAL2	2613	0	0	0	0.09	
-2616	C11	SLES	1	59.4906	34.0169	61.2435	CTL2	2613	2617	2618	2619	-0.18	
-2617	H11	SLES	1	59.0235	33.0407	60.9787	HAL2	2616	0	0	0	0.09	
-2618	H11	SLES	1	60.5277	34.0183	60.8368	HAL2	2616	0	0	0	0.09	
-2619	C12	SLES	1	58.6863	35.156	60.5653	CTL3	2616	2620	2621	2622	-0.27	
-2620	H12	SLES	1	57.8307	34.7364	59.9914	HAL3	2619	0	0	0	0.09	
-2621	H12	SLES	1	59.3373	35.7252	59.8655	HAL3	2619	0	0	0	0.09	
-2622	H12	SLES	1	58.2894	35.8583	61.3304	HAL3	2619	0	0	0	0.09	
-2623	NA	SLES	1	77.7351	26.6543	73.8845	NA	0	0	0	0	1	
-2624	S	SLES	1	76.1776	29.4686	75.6179	SL	2625	2626	2627	2628	1.33	
-2625	OS1	SLES	1	75.9139	29.0849	74.0084	OSL	2624	2629	0	0	-0.28	
-2626	OS2	SLES	1	75.8045	28.2971	76.3834	O2L	2624	0	0	0	-0.65	
-2627	OS3	SLES	1	77.5996	29.7087	75.7471	O2L	2624	0	0	0	-0.65	
-2628	OS4	SLES	1	75.4355	30.6262	76.0908	O2L	2624	0	0	0	-0.65	
-2629	C2	SLES	1	74.8057	29.9132	73.4552	CC32A	2625	2630	2631	2632	-0.11	
-2630	H2A	SLES	1	73.8743	29.7963	74.0764	HCA2	2629	0	0	0	0.09	
-2631	H2B	SLES	1	75.123	30.9926	73.4735	HCA2	2629	0	0	0	0.09	
-2632	C1	SLES	1	74.5091	29.462	71.9469	CC32A	2629	2633	2634	2635	-0.01	
-2633	H1B	SLES	1	74.2806	28.3719	71.9154	HCA2	2632	0	0	0	0.09	
-2634	H1A	SLES	1	75.4016	29.6609	71.3089	HCA2	2632	0	0	0	0.09	
-2635	O1	SLES	1	73.3853	30.0611	71.2012	OC30A	2632	2636	0	0	-0.34	
-2636	C2	SLES	1	72.8578	31.302	71.7156	CC32A	2635	2637	2638	2639	-0.01	
-2637	H2A	SLES	1	72.5152	31.0001	72.7247	HCA2	2636	0	0	0	0.09	
-2638	H2B	SLES	1	73.7733	31.9268	71.8196	HCA2	2636	0	0	0	0.09	
-2639	C1	SLES	1	71.7362	32.1285	71.0113	CC32A	2636	2640	2641	2642	-0.01	
-2640	H1B	SLES	1	70.7408	31.8082	71.389	HCA2	2639	0	0	0	0.09	
-2641	H1A	SLES	1	71.8743	33.2038	71.2421	HCA2	2639	0	0	0	0.09	
-2642	O1	SLES	1	71.4871	32.0796	69.5696	OC30A	2639	2643	0	0	-0.34	
-2643	C1	SLES	1	70.94	33.3197	68.9892	CTL2	2642	2644	2645	2646	-0.18	
-2644	H11	SLES	1	70.6557	33.976	69.8315	HAL2	2643	0	0	0	0.09	
-2645	H12	SLES	1	71.839	33.7433	68.4956	HAL2	2643	0	0	0	0.09	
-2646	C2	SLES	1	69.7489	33.2393	67.9542	CTL2	2643	2647	2648	2649	-0.18	
-2647	H21	SLES	1	69.445	32.1759	67.83	HAL2	2646	0	0	0	0.09	
-2648	H22	SLES	1	70.1015	33.6123	66.9677	HAL2	2646	0	0	0	0.09	
-2649	C3	SLES	1	68.4733	34.0983	68.4166	CTL2	2646	2650	2651	2652	-0.18	
-2650	H31	SLES	1	67.6928	33.406	68.8038	HAL2	2649	0	0	0	0.09	
-2651	H32	SLES	1	68.7719	34.7712	69.245	HAL2	2649	0	0	0	0.09	
-2652	C4	SLES	1	67.854	34.9678	67.2452	CTL2	2649	2653	2654	2655	-0.18	
-2653	H41	SLES	1	66.9428	34.4611	66.8642	HAL2	2652	0	0	0	0.09	
-2654	H42	SLES	1	68.5853	35.0299	66.4108	HAL2	2652	0	0	0	0.09	
-2655	C5	SLES	1	67.4735	36.4452	67.7118	CTL2	2652	2656	2657	2658	-0.18	
-2656	H51	SLES	1	67.412	36.4707	68.8221	HAL2	2655	0	0	0	0.09	
-2657	H52	SLES	1	68.2822	37.1441	67.3978	HAL2	2655	0	0	0	0.09	
-2658	C6	SLES	1	66.1044	36.9442	67.1137	CTL2	2655	2659	2660	2661	-0.18	
-2659	H61	SLES	1	65.2708	36.4027	67.6148	HAL2	2658	0	0	0	0.09	
-2660	H62	SLES	1	65.9882	38.0313	67.3333	HAL2	2658	0	0	0	0.09	
-2661	C7	SLES	1	66.0009	36.7233	65.5714	CTL2	2658	2662	2663	2664	-0.18	
-2662	H71	SLES	1	65.7121	35.6671	65.3748	HAL2	2661	0	0	0	0.09	
-2663	H72	SLES	1	66.9989	36.8979	65.111	HAL2	2661	0	0	0	0.09	
-2664	C8	SLES	1	64.9653	37.661	64.9024	CTL2	2661	2665	2666	2667	-0.18	
-2665	H81	SLES	1	64.0274	37.6559	65.5038	HAL2	2664	0	0	0	0.09	
-2666	H82	SLES	1	65.3654	38.7005	64.8976	HAL2	2664	0	0	0	0.09	
-2667	C9	SLES	1	64.6367	37.2383	63.4485	CTL2	2664	2668	2669	2670	-0.18	
-2668	H91	SLES	1	64.2647	36.1886	63.451	HAL2	2667	0	0	0	0.09	
-2669	H92	SLES	1	65.5694	37.2707	62.8416	HAL2	2667	0	0	0	0.09	
-2670	C10	SLES	1	63.5736	38.1485	62.7891	CTL2	2667	2671	2672	2673	-0.18	
-2671	H10	SLES	1	62.6327	38.098	63.3831	HAL2	2670	0	0	0	0.09	
-2672	H10	SLES	1	63.9353	39.2015	62.8063	HAL2	2670	0	0	0	0.09	
-2673	C11	SLES	1	63.2694	37.741	61.323	CTL2	2670	2674	2675	2676	-0.18	
-2674	H11	SLES	1	62.9017	36.6894	61.3118	HAL2	2673	0	0	0	0.09	
-2675	H11	SLES	1	64.2164	37.7755	60.7373	HAL2	2673	0	0	0	0.09	
-2676	C12	SLES	1	62.2188	38.6452	60.6282	CTL3	2673	2677	2678	2679	-0.27	
-2677	H12	SLES	1	61.3457	38.0401	60.2982	HAL3	2676	0	0	0	0.09	
-2678	H12	SLES	1	62.6638	39.1403	59.7369	HAL3	2676	0	0	0	0.09	
-2679	H12	SLES	1	61.8609	39.4312	61.3282	HAL3	2676	0	0	0	0.09	
-2680	NA	SLES	1	82.7308	36.1013	74.2179	NA	0	0	0	0	1	
-2681	S	SLES	1	80.9928	39.0506	75.4952	SL	2682	2683	2684	2685	1.33	
-2682	OS1	SLES	1	80.6254	38.2873	74.0497	OSL	2681	2686	0	0	-0.28	
-2683	OS2	SLES	1	80.8549	38.0492	76.5324	O2L	2681	0	0	0	-0.65	
-2684	OS3	SLES	1	82.3764	39.4648	75.3917	O2L	2681	0	0	0	-0.65	
-2685	OS4	SLES	1	80.1543	40.1987	75.8007	O2L	2681	0	0	0	-0.65	
-2686	C2	SLES	1	79.3684	38.8454	73.4762	CC32A	2682	2687	2688	2689	-0.11	
-2687	H2A	SLES	1	78.5262	38.7726	74.2196	HCA2	2686	0	0	0	0.09	
-2688	H2B	SLES	1	79.5405	39.9287	73.2253	HCA2	2686	0	0	0	0.09	
-2689	C1	SLES	1	78.9873	38.0361	72.1473	CC32A	2686	2690	2691	2692	-0.01	
-2690	H1B	SLES	1	78.903	36.949	72.3766	HCA2	2689	0	0	0	0.09	
-2691	H1A	SLES	1	79.7787	38.1803	71.3752	HCA2	2689	0	0	0	0.09	
-2692	O1	SLES	1	77.7265	38.3273	71.4378	OC30A	2689	2693	0	0	-0.34	
-2693	C2	SLES	1	77.0926	39.5883	71.739	CC32A	2692	2694	2695	2696	-0.01	
-2694	H2A	SLES	1	76.8938	39.4872	72.8239	HCA2	2693	0	0	0	0.09	
-2695	H2B	SLES	1	77.9233	40.315	71.5927	HCA2	2693	0	0	0	0.09	
-2696	C1	SLES	1	75.8079	40.1092	71.0211	CC32A	2693	2697	2698	2699	-0.01	
-2697	H1B	SLES	1	74.9056	39.7775	71.5796	HCA2	2696	0	0	0	0.09	
-2698	H1A	SLES	1	75.8247	41.2173	70.9994	HCA2	2696	0	0	0	0.09	
-2699	O1	SLES	1	75.4271	39.7094	69.6654	OC30A	2696	2700	0	0	-0.34	
-2700	C1	SLES	1	74.6665	40.7203	68.908	CTL2	2699	2701	2702	2703	-0.18	
-2701	H11	SLES	1	74.382	41.5155	69.6206	HAL2	2700	0	0	0	0.09	
-2702	H12	SLES	1	75.4487	41.1155	68.2274	HAL2	2700	0	0	0	0.09	
-2703	C2	SLES	1	73.4005	40.281	68.0708	CTL2	2700	2704	2705	2706	-0.18	
-2704	H21	SLES	1	73.2292	39.1907	68.2141	HAL2	2703	0	0	0	0.09	
-2705	H22	SLES	1	73.6021	40.4571	66.9915	HAL2	2703	0	0	0	0.09	
-2706	C3	SLES	1	72.0743	41.0802	68.4961	CTL2	2703	2707	2708	2709	-0.18	
-2707	H31	SLES	1	71.434	40.4137	69.1158	HAL2	2706	0	0	0	0.09	
-2708	H32	SLES	1	72.3612	41.9509	69.1188	HAL2	2706	0	0	0	0.09	
-2709	C4	SLES	1	71.2334	41.5912	67.2536	CTL2	2706	2710	2711	2712	-0.18	
-2710	H41	SLES	1	70.3642	40.9168	67.1058	HAL2	2709	0	0	0	0.09	
-2711	H42	SLES	1	71.8646	41.5413	66.3403	HAL2	2709	0	0	0	0.09	
-2712	C5	SLES	1	70.7086	43.0862	67.4398	CTL2	2709	2713	2714	2715	-0.18	
-2713	H51	SLES	1	70.7537	43.355	68.5183	HAL2	2712	0	0	0	0.09	
-2714	H52	SLES	1	71.383	43.7787	66.8861	HAL2	2712	0	0	0	0.09	
-2715	C6	SLES	1	69.2335	43.2874	66.9254	CTL2	2712	2716	2717	2718	-0.18	
-2716	H61	SLES	1	68.5321	42.7868	67.6301	HAL2	2715	0	0	0	0.09	
-2717	H62	SLES	1	68.9967	44.3771	66.922	HAL2	2715	0	0	0	0.09	
-2718	C7	SLES	1	69.0091	42.7141	65.4905	CTL2	2715	2719	2720	2721	-0.18	
-2719	H71	SLES	1	68.8446	41.616	65.5602	HAL2	2718	0	0	0	0.09	
-2720	H72	SLES	1	69.9252	42.8862	64.8825	HAL2	2718	0	0	0	0.09	
-2721	C8	SLES	1	67.798	43.3598	64.7725	CTL2	2718	2722	2723	2724	-0.18	
-2722	H81	SLES	1	66.9326	43.3901	65.4736	HAL2	2721	0	0	0	0.09	
-2723	H82	SLES	1	68.0547	44.4081	64.4972	HAL2	2721	0	0	0	0.09	
-2724	C9	SLES	1	67.3869	42.5869	63.4941	CTL2	2721	2725	2726	2727	-0.18	
-2725	H91	SLES	1	67.1589	41.5312	63.7658	HAL2	2724	0	0	0	0.09	
-2726	H92	SLES	1	68.243	42.5813	62.7825	HAL2	2724	0	0	0	0.09	
-2727	C10	SLES	1	66.1532	43.2051	62.7947	CTL2	2724	2728	2729	2730	-0.18	
-2728	H10	SLES	1	65.2901	43.1895	63.4988	HAL2	2727	0	0	0	0.09	
-2729	H10	SLES	1	66.3724	44.2674	62.5427	HAL2	2727	0	0	0	0.09	
-2730	C11	SLES	1	65.763	42.4468	61.4983	CTL2	2727	2731	2732	2733	-0.18	
-2731	H11	SLES	1	65.5382	41.3867	61.7566	HAL2	2730	0	0	0	0.09	
-2732	H11	SLES	1	66.635	42.4496	60.805	HAL2	2730	0	0	0	0.09	
-2733	C12	SLES	1	64.5389	43.0527	60.7643	CTL3	2730	2734	2735	2736	-0.27	
-2734	H12	SLES	1	63.7253	42.2986	60.6821	HAL3	2733	0	0	0	0.09	
-2735	H12	SLES	1	64.8249	43.3785	59.7398	HAL3	2733	0	0	0	0.09	
-2736	H12	SLES	1	64.1508	43.9335	61.3207	HAL3	2733	0	0	0	0.09	
-2737	NA	SLES	1	90.102	46.6805	64.5566	NA	0	0	0	0	1	
-2738	S	SLES	1	88.2721	49.6329	65.6902	SL	2739	2740	2741	2742	1.33	
-2739	OS1	SLES	1	87.6688	48.5015	64.6117	OSL	2738	2743	0	0	-0.28	
-2740	OS2	SLES	1	88.6085	48.9074	66.8976	O2L	2738	0	0	0	-0.65	
-2741	OS3	SLES	1	89.4747	50.1654	65.0846	O2L	2738	0	0	0	-0.65	
-2742	OS4	SLES	1	87.3543	50.7166	66.003	O2L	2738	0	0	0	-0.65	
-2743	C2	SLES	1	86.223	48.7537	64.3541	CC32A	2739	2744	2745	2746	-0.11	
-2744	H2A	SLES	1	85.6444	48.769	65.3195	HCA2	2743	0	0	0	0.09	
-2745	H2B	SLES	1	86.1191	49.7548	63.8509	HCA2	2743	0	0	0	0.09	
-2746	C1	SLES	1	85.6471	47.605	63.3974	CC32A	2743	2747	2748	2749	-0.01	
-2747	H1B	SLES	1	85.8286	46.605	63.8542	HCA2	2746	0	0	0	0.09	
-2748	H1A	SLES	1	86.1568	47.6455	62.4066	HCA2	2746	0	0	0	0.09	
-2749	O1	SLES	1	84.2091	47.5663	63.0679	OC30A	2746	2750	0	0	-0.34	
-2750	C2	SLES	1	83.4628	48.7812	63.2911	CC32A	2749	2751	2752	2753	-0.01	
-2751	H2A	SLES	1	83.5904	48.927	64.3816	HCA2	2750	0	0	0	0.09	
-2752	H2B	SLES	1	84.0746	49.5404	62.7537	HCA2	2750	0	0	0	0.09	
-2753	C1	SLES	1	81.958	48.9589	62.9152	CC32A	2750	2754	2755	2756	-0.01	
-2754	H1B	SLES	1	81.3193	48.6728	63.779	HCA2	2753	0	0	0	0.09	
-2755	H1A	SLES	1	81.7657	50.0222	62.6681	HCA2	2753	0	0	0	0.09	
-2756	O1	SLES	1	81.3003	48.198	61.8516	OC30A	2753	2757	0	0	-0.34	
-2757	C1	SLES	1	80.1903	48.898	61.1794	CTL2	2756	2758	2759	2760	-0.18	
-2758	H11	SLES	1	79.9715	49.8054	61.7707	HAL2	2757	0	0	0	0.09	
-2759	H12	SLES	1	80.6706	49.2014	60.2263	HAL2	2757	0	0	0	0.09	
-2760	C2	SLES	1	78.8459	48.1243	60.8788	CTL2	2757	2761	2762	2763	-0.18	
-2761	H21	SLES	1	78.9223	47.0901	61.283	HAL2	2760	0	0	0	0.09	
-2762	H22	SLES	1	78.7087	48.0523	59.7777	HAL2	2760	0	0	0	0.09	
-2763	C3	SLES	1	77.564	48.8454	61.5232	CTL2	2760	2764	2765	2766	-0.18	
-2764	H31	SLES	1	77.2505	48.2821	62.4303	HAL2	2763	0	0	0	0.09	
-2765	H32	SLES	1	77.8464	49.8692	61.8398	HAL2	2763	0	0	0	0.09	
-2766	C4	SLES	1	76.3366	48.9359	60.5246	CTL2	2763	2767	2768	2769	-0.18	
-2767	H41	SLES	1	75.5983	48.1506	60.7899	HAL2	2766	0	0	0	0.09	
-2768	H42	SLES	1	76.6918	48.7366	59.4906	HAL2	2766	0	0	0	0.09	
-2769	C5	SLES	1	75.6191	50.3604	60.5604	CTL2	2766	2770	2771	2772	-0.18	
-2770	H51	SLES	1	75.9077	50.8888	61.4958	HAL2	2769	0	0	0	0.09	
-2771	H52	SLES	1	75.9781	50.9688	59.6991	HAL2	2769	0	0	0	0.09	
-2772	C6	SLES	1	74.0486	50.2583	60.4964	CTL2	2769	2773	2774	2775	-0.18	
-2773	H61	SLES	1	73.6704	49.8686	61.4681	HAL2	2772	0	0	0	0.09	
-2774	H62	SLES	1	73.6252	51.2793	60.3482	HAL2	2772	0	0	0	0.09	
-2775	C7	SLES	1	73.5486	49.3289	59.3456	CTL2	2772	2776	2777	2778	-0.18	
-2776	H71	SLES	1	73.6127	48.27	59.6808	HAL2	2775	0	0	0	0.09	
-2777	H72	SLES	1	74.2159	49.4508	58.4634	HAL2	2775	0	0	0	0.09	
-2778	C8	SLES	1	72.0905	49.6352	58.9219	CTL2	2775	2779	2780	2781	-0.18	
-2779	H81	SLES	1	71.4597	49.7367	59.8347	HAL2	2778	0	0	0	0.09	
-2780	H82	SLES	1	72.0663	50.6064	58.3771	HAL2	2778	0	0	0	0.09	
-2781	C9	SLES	1	71.4935	48.5305	58.0144	CTL2	2778	2782	2783	2784	-0.18	
-2782	H91	SLES	1	71.5453	47.5546	58.5485	HAL2	2781	0	0	0	0.09	
-2783	H92	SLES	1	72.1082	48.449	57.0898	HAL2	2781	0	0	0	0.09	
-2784	C10	SLES	1	70.0242	48.8123	57.6204	CTL2	2781	2785	2786	2787	-0.18	
-2785	H10	SLES	1	69.4048	48.8706	58.5443	HAL2	2784	0	0	0	0.09	
-2786	H10	SLES	1	69.9684	49.7983	57.106	HAL2	2784	0	0	0	0.09	
-2787	C11	SLES	1	69.4394	47.7197	56.6866	CTL2	2784	2788	2789	2790	-0.18	
-2788	H11	SLES	1	69.4912	46.7366	57.2082	HAL2	2787	0	0	0	0.09	
-2789	H11	SLES	1	70.0725	47.6526	55.7725	HAL2	2787	0	0	0	0.09	
-2790	C12	SLES	1	67.9719	47.9822	56.26	CTL3	2787	2791	2792	2793	-0.27	
-2791	H12	SLES	1	67.3187	47.1425	56.5851	HAL3	2790	0	0	0	0.09	
-2792	H12	SLES	1	67.9021	48.0775	55.1538	HAL3	2790	0	0	0	0.09	
-2793	H12	SLES	1	67.5969	48.9218	56.7209	HAL3	2790	0	0	0	0.09	
-2794	NA	SLES	1	89.1055	57.1129	65.1207	NA	0	0	0	0	1	
-2795	S	SLES	1	86.7872	59.9124	65.4933	SL	2796	2797	2798	2799	1.33	
-2796	OS1	SLES	1	86.4207	58.4777	64.7094	OSL	2795	2800	0	0	-0.28	
-2797	OS2	SLES	1	87.1704	59.554	66.8432	O2L	2795	0	0	0	-0.65	
-2798	OS3	SLES	1	87.9222	60.4758	64.7925	O2L	2795	0	0	0	-0.65	
-2799	OS4	SLES	1	85.6986	60.8759	65.5269	O2L	2795	0	0	0	-0.65	
-2800	C2	SLES	1	84.9681	58.4251	64.3816	CC32A	2796	2801	2802	2803	-0.11	
-2801	H2A	SLES	1	84.3463	58.5721	65.3084	HCA2	2800	0	0	0	0.09	
-2802	H2B	SLES	1	84.7364	59.2502	63.6525	HCA2	2800	0	0	0	0.09	
-2803	C1	SLES	1	84.6252	57.0067	63.7205	CC32A	2800	2804	2805	2806	-0.01	
-2804	H1B	SLES	1	84.9357	56.1844	64.4053	HCA2	2803	0	0	0	0.09	
-2805	H1A	SLES	1	85.1717	56.8961	62.755	HCA2	2803	0	0	0	0.09	
-2806	O1	SLES	1	83.2288	56.6598	63.3925	OC30A	2803	2807	0	0	-0.34	
-2807	C2	SLES	1	82.2937	57.7559	63.3097	CC32A	2806	2808	2809	2810	-0.01	
-2808	H2A	SLES	1	82.3423	58.1716	64.3352	HCA2	2807	0	0	0	0.09	
-2809	H2B	SLES	1	82.8072	58.4569	62.6138	HCA2	2807	0	0	0	0.09	
-2810	C1	SLES	1	80.8004	57.5947	62.8841	CC32A	2807	2811	2812	2813	-0.01	
-2811	H1B	SLES	1	80.1709	57.4193	63.7836	HCA2	2810	0	0	0	0.09	
-2812	H1A	SLES	1	80.4589	58.5251	62.3877	HCA2	2810	0	0	0	0.09	
-2813	O1	SLES	1	80.3223	56.5098	62.0255	OC30A	2810	2814	0	0	-0.34	
-2814	C1	SLES	1	79.1527	56.8438	61.1921	CTL2	2813	2815	2816	2817	-0.18	
-2815	H11	SLES	1	78.7671	57.8168	61.5466	HAL2	2814	0	0	0	0.09	
-2816	H12	SLES	1	79.6277	56.9894	60.1999	HAL2	2814	0	0	0	0.09	
-2817	C2	SLES	1	77.9606	55.8141	61.0691	CTL2	2814	2818	2819	2820	-0.18	
-2818	H21	SLES	1	78.1753	54.9297	61.7097	HAL2	2817	0	0	0	0.09	
-2819	H22	SLES	1	77.8917	55.4652	60.0155	HAL2	2817	0	0	0	0.09	
-2820	C3	SLES	1	76.552	56.4488	61.5069	CTL2	2817	2821	2822	2823	-0.18	
-2821	H31	SLES	1	76.2841	56.0704	62.5185	HAL2	2820	0	0	0	0.09	
-2822	H32	SLES	1	76.6568	57.5501	61.5728	HAL2	2820	0	0	0	0.09	
-2823	C4	SLES	1	75.3771	56.1032	60.5008	CTL2	2820	2824	2825	2826	-0.18	
-2824	H41	SLES	1	74.7565	55.2929	60.9374	HAL2	2823	0	0	0	0.09	
-2825	H42	SLES	1	75.8103	55.7275	59.5489	HAL2	2823	0	0	0	0.09	
-2826	C5	SLES	1	74.4476	57.361	60.1864	CTL2	2823	2827	2828	2829	-0.18	
-2827	H51	SLES	1	74.6038	58.1332	60.9717	HAL2	2826	0	0	0	0.09	
-2828	H52	SLES	1	74.7511	57.8008	59.2089	HAL2	2826	0	0	0	0.09	
-2829	C6	SLES	1	72.9168	56.994	60.1297	CTL2	2826	2830	2831	2832	-0.18	
-2830	H61	SLES	1	72.555	56.7867	61.1618	HAL2	2829	0	0	0	0.09	
-2831	H62	SLES	1	72.3489	57.8695	59.7366	HAL2	2829	0	0	0	0.09	
-2832	C7	SLES	1	72.6247	55.7527	59.2286	CTL2	2829	2833	2834	2835	-0.18	
-2833	H71	SLES	1	72.8345	54.8264	59.8081	HAL2	2832	0	0	0	0.09	
-2834	H72	SLES	1	73.3086	55.771	58.3509	HAL2	2832	0	0	0	0.09	
-2835	C8	SLES	1	71.16	55.7111	58.7264	CTL2	2832	2836	2837	2838	-0.18	
-2836	H81	SLES	1	70.476	55.92	59.5808	HAL2	2835	0	0	0	0.09	
-2837	H82	SLES	1	71.0136	56.5107	57.9649	HAL2	2835	0	0	0	0.09	
-2838	C9	SLES	1	70.787	54.3431	58.1022	CTL2	2835	2839	2840	2841	-0.18	
-2839	H91	SLES	1	70.9618	53.5409	58.8548	HAL2	2838	0	0	0	0.09	
-2840	H92	SLES	1	71.4526	54.148	57.2314	HAL2	2838	0	0	0	0.09	
-2841	C10	SLES	1	69.3135	54.2832	57.6346	CTL2	2838	2842	2843	2844	-0.18	
-2842	H10	SLES	1	68.6468	54.4551	58.5103	HAL2	2841	0	0	0	0.09	
-2843	H10	SLES	1	69.1321	55.0989	56.8987	HAL2	2841	0	0	0	0.09	
-2844	C11	SLES	1	68.952	52.9224	56.9822	CTL2	2841	2845	2846	2847	-0.18	
-2845	H11	SLES	1	69.1286	52.1105	57.7244	HAL2	2844	0	0	0	0.09	
-2846	H11	SLES	1	69.633	52.7466	56.1184	HAL2	2844	0	0	0	0.09	
-2847	C12	SLES	1	67.4849	52.8367	56.4876	CTL3	2844	2848	2849	2850	-0.27	
-2848	H12	SLES	1	66.9536	52.0022	56.9961	HAL3	2847	0	0	0	0.09	
-2849	H12	SLES	1	67.4569	52.6579	55.39	HAL3	2847	0	0	0	0.09	
-2850	H12	SLES	1	66.9467	53.7847	56.7059	HAL3	2847	0	0	0	0.09	
-2851	NA	SLES	1	85.4313	67.0379	65.73	NA	0	0	0	0	1	
-2852	S	SLES	1	82.6981	69.4212	65.2835	SL	2853	2854	2855	2856	1.33	
-2853	OS1	SLES	1	82.6354	67.8117	64.8224	OSL	2852	2857	0	0	-0.28	
-2854	OS2	SLES	1	82.9804	69.4285	66.7039	O2L	2852	0	0	0	-0.65	
-2855	OS3	SLES	1	83.8069	70.0052	64.5582	O2L	2852	0	0	0	-0.65	
-2856	OS4	SLES	1	81.4819	70.1724	65.0165	O2L	2852	0	0	0	-0.65	
-2857	C2	SLES	1	81.2511	67.4466	64.4093	CC32A	2853	2858	2859	2860	-0.11	
-2858	H2A	SLES	1	80.517	67.6809	65.2298	HCA2	2857	0	0	0	0.09	
-2859	H2B	SLES	1	80.9809	68.0463	63.4963	HCA2	2857	0	0	0	0.09	
-2860	C1	SLES	1	81.1958	65.883	64.0653	CC32A	2857	2861	2862	2863	-0.01	
-2861	H1B	SLES	1	81.5478	65.2898	64.9404	HCA2	2860	0	0	0	0.09	
-2862	H1A	SLES	1	81.8547	65.6628	63.1933	HCA2	2860	0	0	0	0.09	
-2863	O1	SLES	1	79.9102	65.2441	63.7233	OC30A	2860	2864	0	0	-0.34	
-2864	C2	SLES	1	78.8381	66.1239	63.3244	CC32A	2863	2865	2866	2867	-0.01	
-2865	H2A	SLES	1	78.7125	66.7506	64.2289	HCA2	2864	0	0	0	0.09	
-2866	H2B	SLES	1	79.3152	66.7367	62.5267	HCA2	2864	0	0	0	0.09	
-2867	C1	SLES	1	77.4404	65.6266	62.8381	CC32A	2864	2868	2869	2870	-0.01	
-2868	H1B	SLES	1	76.7494	65.5434	63.7051	HCA2	2867	0	0	0	0.09	
-2869	H1A	SLES	1	77.0215	66.3587	62.119	HCA2	2867	0	0	0	0.09	
-2870	O1	SLES	1	77.2245	64.319	62.2165	OC30A	2867	2871	0	0	-0.34	
-2871	C1	SLES	1	76.1164	64.2659	61.2452	CTL2	2870	2872	2873	2874	-0.18	
-2872	H11	SLES	1	75.5549	65.2129	61.3394	HAL2	2871	0	0	0	0.09	
-2873	H12	SLES	1	76.6701	64.2745	60.2836	HAL2	2871	0	0	0	0.09	
-2874	C2	SLES	1	75.1103	63.048	61.2728	CTL2	2871	2875	2876	2877	-0.18	
-2875	H21	SLES	1	75.3821	62.3695	62.1121	HAL2	2874	0	0	0	0.09	
-2876	H22	SLES	1	75.2091	62.4761	60.3242	HAL2	2874	0	0	0	0.09	
-2877	C3	SLES	1	73.5841	63.515	61.4496	CTL2	2874	2878	2879	2880	-0.18	
-2878	H31	SLES	1	73.2662	63.3212	62.4983	HAL2	2877	0	0	0	0.09	
-2879	H32	SLES	1	73.5171	64.6066	61.2704	HAL2	2877	0	0	0	0.09	
-2880	C4	SLES	1	72.59	62.7701	60.4652	CTL2	2877	2881	2882	2883	-0.18	
-2881	H41	SLES	1	72.0522	61.9788	61.028	HAL2	2880	0	0	0	0.09	
-2882	H42	SLES	1	73.1753	62.2786	59.6584	HAL2	2880	0	0	0	0.09	
-2883	C5	SLES	1	71.5247	63.7571	59.805	CTL2	2880	2884	2885	2886	-0.18	
-2884	H51	SLES	1	71.4784	64.694	60.4029	HAL2	2883	0	0	0	0.09	
-2885	H52	SLES	1	71.8648	64.0231	58.778	HAL2	2883	0	0	0	0.09	
-2886	C6	SLES	1	70.0804	63.1341	59.721	CTL2	2883	2887	2888	2889	-0.18	
-2887	H61	SLES	1	69.6428	63.0936	60.7437	HAL2	2886	0	0	0	0.09	
-2888	H62	SLES	1	69.4357	63.7973	59.0981	HAL2	2886	0	0	0	0.09	
-2889	C7	SLES	1	70.0751	61.6982	59.1075	CTL2	2886	2890	2891	2892	-0.18	
-2890	H71	SLES	1	70.3551	60.9655	59.8966	HAL2	2889	0	0	0	0.09	
-2891	H72	SLES	1	70.8405	61.644	58.3014	HAL2	2889	0	0	0	0.09	
-2892	C8	SLES	1	68.6963	61.3046	58.5217	CTL2	2889	2893	2894	2895	-0.18	
-2893	H81	SLES	1	67.8998	61.5725	59.2533	HAL2	2892	0	0	0	0.09	
-2894	H82	SLES	1	68.5173	61.8871	57.5894	HAL2	2892	0	0	0	0.09	
-2895	C9	SLES	1	68.6	59.7921	58.1999	CTL2	2892	2896	2897	2898	-0.18	
-2896	H91	SLES	1	68.8083	59.2099	59.1262	HAL2	2895	0	0	0	0.09	
-2897	H92	SLES	1	69.3781	59.5309	57.4478	HAL2	2895	0	0	0	0.09	
-2898	C10	SLES	1	67.2114	59.3867	57.6512	CTL2	2895	2899	2900	2901	-0.18	
-2899	H10	SLES	1	66.4351	59.6265	58.4132	HAL2	2898	0	0	0	0.09	
-2900	H10	SLES	1	66.9928	59.9844	56.7375	HAL2	2898	0	0	0	0.09	
-2901	C11	SLES	1	67.1284	57.8772	57.3013	CTL2	2898	2902	2903	2904	-0.18	
-2902	H11	SLES	1	67.341	57.2837	58.2198	HAL2	2901	0	0	0	0.09	
-2903	H11	SLES	1	67.9181	57.6386	56.5527	HAL2	2901	0	0	0	0.09	
-2904	C12	SLES	1	65.7529	57.4423	56.7327	CTL3	2901	2905	2906	2907	-0.27	
-2905	H12	SLES	1	65.2985	56.6581	57.3775	HAL3	2904	0	0	0	0.09	
-2906	H12	SLES	1	65.8716	57.0316	55.7057	HAL3	2904	0	0	0	0.09	
-2907	H12	SLES	1	65.0599	58.3106	56.689	HAL3	2904	0	0	0	0.09	
-2908	NA	SLES	1	79.2506	75.7598	66.343	NA	0	0	0	0	1	
-2909	S	SLES	1	76.3101	77.5193	65.0749	SL	2910	2911	2912	2913	1.33	
-2910	OS1	SLES	1	76.5548	75.8671	64.9427	OSL	2909	2914	0	0	-0.28	
-2911	OS2	SLES	1	76.3567	77.8272	66.4893	O2L	2909	0	0	0	-0.65	
-2912	OS3	SLES	1	77.4252	78.1472	64.3975	O2L	2909	0	0	0	-0.65	
-2913	OS4	SLES	1	75.0572	77.9904	64.5066	O2L	2909	0	0	0	-0.65	
-2914	C2	SLES	1	75.322	75.2017	64.4351	CC32A	2910	2915	2916	2917	-0.11	
-2915	H2A	SLES	1	74.4397	75.4481	65.0892	HCA2	2914	0	0	0	0.09	
-2916	H2B	SLES	1	75.1184	75.5741	63.393	HCA2	2914	0	0	0	0.09	
-2917	C1	SLES	1	75.5485	73.616	64.4084	CC32A	2914	2918	2919	2920	-0.01	
-2918	H1B	SLES	1	75.8371	73.2573	65.423	HCA2	2917	0	0	0	0.09	
-2919	H1A	SLES	1	76.3636	73.3612	63.6916	HCA2	2917	0	0	0	0.09	
-2920	O1	SLES	1	74.4401	72.7149	64.0376	OC30A	2917	2921	0	0	-0.34	
-2921	C2	SLES	1	73.3305	73.312	63.334	CC32A	2920	2922	2923	2924	-0.01	
-2922	H2A	SLES	1	72.9724	74.0583	64.0699	HCA2	2921	0	0	0	0.09	
-2923	H2B	SLES	1	73.8362	73.8462	62.4984	HCA2	2921	0	0	0	0.09	
-2924	C1	SLES	1	72.1155	72.5032	62.7802	CC32A	2921	2925	2926	2927	-0.01	
-2925	H1B	SLES	1	71.3135	72.4577	63.5488	HCA2	2924	0	0	0	0.09	
-2926	H1A	SLES	1	71.7164	73.0127	61.8804	HCA2	2924	0	0	0	0.09	
-2927	O1	SLES	1	72.1928	71.0887	62.4115	OC30A	2924	2928	0	0	-0.34	
-2928	C1	SLES	1	71.2744	70.674	61.3351	CTL2	2927	2929	2930	2931	-0.18	
-2929	H11	SLES	1	70.5745	71.5117	61.1631	HAL2	2928	0	0	0	0.09	
-2930	H12	SLES	1	71.9682	70.6069	60.4717	HAL2	2928	0	0	0	0.09	
-2931	C2	SLES	1	70.4629	69.3256	61.4759	CTL2	2928	2932	2933	2934	-0.18	
-2932	H21	SLES	1	70.6914	68.864	62.4626	HAL2	2931	0	0	0	0.09	
-2933	H22	SLES	1	70.7941	68.62	60.6828	HAL2	2931	0	0	0	0.09	
-2934	C3	SLES	1	68.877	69.5468	61.3554	CTL2	2931	2935	2936	2937	-0.18	
-2935	H31	SLES	1	68.4262	69.4906	62.3712	HAL2	2934	0	0	0	0.09	
-2936	H32	SLES	1	68.6832	70.5611	60.9532	HAL2	2934	0	0	0	0.09	
-2937	C4	SLES	1	68.1717	68.4791	60.4201	CTL2	2934	2938	2939	2940	-0.18	
-2938	H41	SLES	1	67.6701	67.7198	61.0558	HAL2	2937	0	0	0	0.09	
-2939	H42	SLES	1	68.9435	67.9604	59.8117	HAL2	2937	0	0	0	0.09	
-2940	C5	SLES	1	67.0953	69.1348	59.4422	CTL2	2937	2941	2942	2943	-0.18	
-2941	H51	SLES	1	66.8192	70.1408	59.8284	HAL2	2940	0	0	0	0.09	
-2942	H52	SLES	1	67.5539	69.2687	58.4358	HAL2	2940	0	0	0	0.09	
-2943	C6	SLES	1	65.7883	68.2676	59.2982	CTL2	2940	2944	2945	2946	-0.18	
-2944	H61	SLES	1	65.2025	68.3346	60.2424	HAL2	2943	0	0	0	0.09	
-2945	H62	SLES	1	65.1632	68.6886	58.4762	HAL2	2943	0	0	0	0.09	
-2946	C7	SLES	1	66.0884	66.7665	58.9905	CTL2	2943	2947	2948	2949	-0.18	
-2947	H71	SLES	1	66.3406	66.2449	59.9403	HAL2	2946	0	0	0	0.09	
-2948	H72	SLES	1	66.973	66.7026	58.3183	HAL2	2946	0	0	0	0.09	
-2949	C8	SLES	1	64.8928	66.0437	58.3216	CTL2	2946	2950	2951	2952	-0.18	
-2950	H81	SLES	1	63.959	66.2961	58.8746	HAL2	2949	0	0	0	0.09	
-2951	H82	SLES	1	64.7838	66.4118	57.276	HAL2	2949	0	0	0	0.09	
-2952	C9	SLES	1	65.0683	64.5045	58.3008	CTL2	2949	2953	2954	2955	-0.18	
-2953	H91	SLES	1	65.2068	64.1407	59.3443	HAL2	2952	0	0	0	0.09	
-2954	H92	SLES	1	65.9865	64.2517	57.7242	HAL2	2952	0	0	0	0.09	
-2955	C10	SLES	1	63.8589	63.7752	57.6691	CTL2	2952	2956	2957	2958	-0.18	
-2956	H10	SLES	1	62.944	64.0093	58.2598	HAL2	2955	0	0	0	0.09	
-2957	H10	SLES	1	63.7061	64.1545	56.6333	HAL2	2955	0	0	0	0.09	
-2958	C11	SLES	1	64.0514	62.2362	57.622	CTL2	2955	2959	2960	2961	-0.18	
-2959	H11	SLES	1	64.1971	61.8608	58.6608	HAL2	2958	0	0	0	0.09	
-2960	H11	SLES	1	64.9771	62.0079	57.0458	HAL2	2958	0	0	0	0.09	
-2961	C12	SLES	1	62.8623	61.477	56.9786	CTL3	2958	2962	2963	2964	-0.27	
-2962	H12	SLES	1	62.4281	60.7534	57.7033	HAL3	2961	0	0	0	0.09	
-2963	H12	SLES	1	63.2023	60.9171	56.0794	HAL3	2961	0	0	0	0.09	
-2964	H12	SLES	1	62.0676	62.1912	56.6715	HAL3	2961	0	0	0	0.09	
-2965	NA	SLES	1	70.9255	82.6279	66.9179	NA	0	0	0	0	1	
-2966	S	SLES	1	68.0779	83.6749	64.882	SL	2967	2968	2969	2970	1.33	
-2967	OS1	SLES	1	68.5796	82.0866	65.0623	OSL	2966	2971	0	0	-0.28	
-2968	OS2	SLES	1	67.7943	84.1675	66.214	O2L	2966	0	0	0	-0.65	
-2969	OS3	SLES	1	69.2041	84.3919	64.3214	O2L	2966	0	0	0	-0.65	
-2970	OS4	SLES	1	66.9104	83.8454	64.032	O2L	2966	0	0	0	-0.65	
-2971	C2	SLES	1	67.5829	81.1586	64.4573	CC32A	2967	2972	2973	2974	-0.11	
-2972	H2A	SLES	1	66.561	81.3324	64.8962	HCA2	2971	0	0	0	0.09	
-2973	H2B	SLES	1	67.5415	81.3518	63.3496	HCA2	2971	0	0	0	0.09	
-2974	C1	SLES	1	68.0362	79.6458	64.7262	CC32A	2971	2975	2976	2977	-0.01	
-2975	H1B	SLES	1	68.1635	79.4771	65.8202	HCA2	2974	0	0	0	0.09	
-2976	H1A	SLES	1	69.0068	79.4442	64.216	HCA2	2974	0	0	0	0.09	
-2977	O1	SLES	1	67.1666	78.527	64.3141	OC30A	2974	2978	0	0	-0.34	
-2978	C2	SLES	1	66.147	78.8275	63.3381	CC32A	2977	2979	2980	2981	-0.01	
-2979	H2A	SLES	1	65.5445	79.5903	63.8691	HCA2	2978	0	0	0	0.09	
-2980	H2B	SLES	1	66.728	79.3276	62.5307	HCA2	2978	0	0	0	0.09	
-2981	C1	SLES	1	65.1975	77.7566	62.7144	CC32A	2978	2982	2983	2984	-0.01	
-2982	H1B	SLES	1	64.2725	77.674	63.3256	HCA2	2981	0	0	0	0.09	
-2983	H1A	SLES	1	64.9183	78.0685	61.688	HCA2	2981	0	0	0	0.09	
-2984	O1	SLES	1	65.5503	76.3407	62.5973	OC30A	2981	2985	0	0	-0.34	
-2985	C1	SLES	1	64.9366	75.6378	61.4557	CTL2	2984	2986	2987	2988	-0.18	
-2986	H11	SLES	1	64.1724	76.3129	61.0299	HAL2	2985	0	0	0	0.09	
-2987	H12	SLES	1	65.7921	75.5795	60.7514	HAL2	2985	0	0	0	0.09	
-2988	C2	SLES	1	64.3163	74.1998	61.6648	CTL2	2985	2989	2990	2991	-0.18	
-2989	H21	SLES	1	64.4057	73.9167	62.7374	HAL2	2988	0	0	0	0.09	
-2990	H22	SLES	1	64.8982	73.4647	61.0668	HAL2	2988	0	0	0	0.09	
-2991	C3	SLES	1	62.772	74.127	61.2305	CTL2	2988	2992	2993	2994	-0.18	
-2992	H31	SLES	1	62.139	74.1266	62.1458	HAL2	2991	0	0	0	0.09	
-2993	H32	SLES	1	62.5189	75.0319	60.6428	HAL2	2991	0	0	0	0.09	
-2994	C4	SLES	1	62.4305	72.8415	60.3687	CTL2	2991	2995	2996	2997	-0.18	
-2995	H41	SLES	1	61.926	72.0964	61.0186	HAL2	2994	0	0	0	0.09	
-2996	H42	SLES	1	63.3754	72.3888	59.9983	HAL2	2994	0	0	0	0.09	
-2997	C5	SLES	1	61.4897	73.1694	59.1227	CTL2	2994	2998	2999	3000	-0.18	
-2998	H51	SLES	1	60.9996	74.1544	59.2871	HAL2	2997	0	0	0	0.09	
-2999	H52	SLES	1	62.1171	73.2483	58.2055	HAL2	2997	0	0	0	0.09	
-3000	C6	SLES	1	60.3771	72.0789	58.89	CTL2	2997	3001	3002	3003	-0.18	
-3001	H61	SLES	1	59.6101	72.1663	59.692	HAL2	3000	0	0	0	0.09	
-3002	H62	SLES	1	59.8761	72.2755	57.9133	HAL2	3000	0	0	0	0.09	
-3003	C7	SLES	1	60.9461	70.6248	58.8856	CTL2	3000	3004	3005	3006	-0.18	
-3004	H71	SLES	1	61.0746	70.2824	59.9363	HAL2	3003	0	0	0	0.09	
-3005	H72	SLES	1	61.9475	70.6273	58.4003	HAL2	3003	0	0	0	0.09	
-3006	C8	SLES	1	60.0261	69.6263	58.1399	CTL2	3003	3007	3008	3009	-0.18	
-3007	H81	SLES	1	58.9739	69.7839	58.4704	HAL2	3006	0	0	0	0.09	
-3008	H82	SLES	1	60.0777	69.831	57.0463	HAL2	3006	0	0	0	0.09	
-3009	C9	SLES	1	60.4221	68.1508	58.398	CTL2	3006	3010	3011	3012	-0.18	
-3010	H91	SLES	1	60.3989	67.9551	59.4941	HAL2	3009	0	0	0	0.09	
-3011	H92	SLES	1	61.4641	67.9871	58.0418	HAL2	3009	0	0	0	0.09	
-3012	C10	SLES	1	59.4824	67.1484	57.687	CTL2	3009	3013	3014	3015	-0.18	
-3013	H10	SLES	1	58.4434	67.2962	58.0604	HAL2	3012	0	0	0	0.09	
-3014	H10	SLES	1	59.4879	67.3577	56.5933	HAL2	3012	0	0	0	0.09	
-3015	C11	SLES	1	59.9001	65.6726	57.9225	CTL2	3012	3016	3017	3018	-0.18	
-3016	H11	SLES	1	59.8864	65.4662	59.0172	HAL2	3015	0	0	0	0.09	
-3017	H11	SLES	1	60.9457	65.5342	57.5641	HAL2	3015	0	0	0	0.09	
-3018	C12	SLES	1	58.9866	64.6429	57.2085	CTL3	3015	3019	3020	3021	-0.27	
-3019	H12	SLES	1	58.5244	63.9559	57.9512	HAL3	3018	0	0	0	0.09	
-3020	H12	SLES	1	59.5774	64.0379	56.4858	HAL3	3018	0	0	0	0.09	
-3021	H12	SLES	1	58.1754	65.1637	56.6546	HAL3	3018	0	0	0	0.09	
-3022	NA	SLES	1	61.0005	87.0958	67.4154	NA	0	0	0	0	1	
-3023	S	SLES	1	58.569	87.4958	64.7176	SL	3024	3025	3026	3027	1.33	
-3024	OS1	SLES	1	59.2456	86.0322	65.173	OSL	3023	3028	0	0	-0.28	
-3025	OS2	SLES	1	57.9198	88.0302	65.8968	O2L	3023	0	0	0	-0.65	
-3026	OS3	SLES	1	59.6746	88.349	64.3352	O2L	3023	0	0	0	-0.65	
-3027	OS4	SLES	1	57.6139	87.4043	63.625	O2L	3023	0	0	0	-0.65	
-3028	C2	SLES	1	58.5614	84.9078	64.4745	CC32A	3024	3029	3030	3031	-0.11	
-3029	H2A	SLES	1	57.4522	84.9388	64.6639	HCA2	3028	0	0	0	0.09	
-3030	H2B	SLES	1	58.7454	85.0092	63.3691	HCA2	3028	0	0	0	0.09	
-3031	C1	SLES	1	59.16	83.5168	64.9972	CC32A	3028	3032	3033	3034	-0.01	
-3032	H1B	SLES	1	59.0582	83.4528	66.105	HCA2	3031	0	0	0	0.09	
-3033	H1A	SLES	1	60.2401	83.4445	64.7307	HCA2	3031	0	0	0	0.09	
-3034	O1	SLES	1	58.5823	82.2403	64.5339	OC30A	3031	3035	0	0	-0.34	
-3035	C2	SLES	1	57.779	82.2922	63.3361	CC32A	3034	3036	3037	3038	-0.01	
-3036	H2A	SLES	1	56.9654	82.9796	63.6401	HCA2	3035	0	0	0	0.09	
-3037	H2B	SLES	1	58.4482	82.8223	62.6215	HCA2	3035	0	0	0	0.09	
-3038	C1	SLES	1	57.1656	81.0338	62.6451	CC32A	3035	3039	3040	3041	-0.01	
-3039	H1B	SLES	1	56.1483	80.8418	63.0504	HCA2	3038	0	0	0	0.09	
-3040	H1A	SLES	1	57.0847	81.2179	61.5551	HCA2	3038	0	0	0	0.09	
-3041	O1	SLES	1	57.7411	79.6929	62.7611	OC30A	3038	3042	0	0	-0.34	
-3042	C1	SLES	1	57.5145	78.8147	61.5986	CTL2	3041	3043	3044	3045	-0.18	
-3043	H11	SLES	1	56.7763	79.3183	60.9487	HAL2	3042	0	0	0	0.09	
-3044	H12	SLES	1	58.5069	78.8496	61.1035	HAL2	3042	0	0	0	0.09	
-3045	C2	SLES	1	57.0824	77.3121	61.8264	CTL2	3042	3046	3047	3048	-0.18	
-3046	H21	SLES	1	56.9659	77.1277	62.9178	HAL2	3045	0	0	0	0.09	
-3047	H22	SLES	1	57.8874	76.6435	61.4501	HAL2	3045	0	0	0	0.09	
-3048	C3	SLES	1	55.7059	76.9486	61.0836	CTL2	3045	3049	3050	3051	-0.18	
-3049	H31	SLES	1	54.8882	76.9089	61.8374	HAL2	3048	0	0	0	0.09	
-3050	H32	SLES	1	55.4625	77.7522	60.3603	HAL2	3048	0	0	0	0.09	
-3051	C4	SLES	1	55.7636	75.5641	60.3143	CTL2	3048	3052	3053	3054	-0.18	
-3052	H41	SLES	1	55.2401	74.7945	60.9192	HAL2	3051	0	0	0	0.09	
-3053	H42	SLES	1	56.8242	75.2509	60.2055	HAL2	3051	0	0	0	0.09	
-3054	C5	SLES	1	55.0936	75.6364	58.8683	CTL2	3051	3055	3056	3057	-0.18	
-3055	H51	SLES	1	54.4388	76.5341	58.816	HAL2	3054	0	0	0	0.09	
-3056	H52	SLES	1	55.8947	75.7521	58.103	HAL2	3054	0	0	0	0.09	
-3057	C6	SLES	1	54.237	74.36	58.5243	CTL2	3054	3058	3059	3060	-0.18	
-3058	H61	SLES	1	53.3032	74.3757	59.13	HAL2	3057	0	0	0	0.09	
-3059	H62	SLES	1	53.9483	74.3971	57.4478	HAL2	3057	0	0	0	0.09	
-3060	C7	SLES	1	55.0005	73.0261	58.8	CTL2	3057	3061	3062	3063	-0.18	
-3061	H71	SLES	1	54.9354	72.7884	59.8849	HAL2	3060	0	0	0	0.09	
-3062	H72	SLES	1	56.0745	73.1615	58.5419	HAL2	3060	0	0	0	0.09	
-3063	C8	SLES	1	54.4327	71.8349	57.9889	CTL2	3060	3064	3065	3066	-0.18	
-3064	H81	SLES	1	53.3214	71.8369	58.0683	HAL2	3063	0	0	0	0.09	
-3065	H82	SLES	1	54.7013	71.9644	56.9157	HAL2	3063	0	0	0	0.09	
-3066	C9	SLES	1	54.973	70.4701	58.4848	CTL2	3063	3067	3068	3069	-0.18	
-3067	H91	SLES	1	54.7299	70.3545	59.5656	HAL2	3066	0	0	0	0.09	
-3068	H92	SLES	1	56.0812	70.4585	58.379	HAL2	3066	0	0	0	0.09	
-3069	C10	SLES	1	54.3788	69.2743	57.7036	CTL2	3066	3070	3071	3072	-0.18	
-3070	H10	SLES	1	53.272	69.2722	57.8287	HAL2	3069	0	0	0	0.09	
-3071	H10	SLES	1	54.6024	69.4006	56.6201	HAL2	3069	0	0	0	0.09	
-3072	C11	SLES	1	54.9453	67.9113	58.1824	CTL2	3069	3073	3074	3075	-0.18	
-3073	H11	SLES	1	54.7132	67.7866	59.2649	HAL2	3072	0	0	0	0.09	
-3074	H11	SLES	1	56.0537	67.925	58.0724	HAL2	3072	0	0	0	0.09	
-3075	C12	SLES	1	54.381	66.6929	57.4069	CTL3	3072	3076	3077	3078	-0.27	
-3076	H12	SLES	1	53.8685	65.9943	58.1045	HAL3	3075	0	0	0	0.09	
-3077	H12	SLES	1	55.2038	66.1444	56.8971	HAL3	3075	0	0	0	0.09	
-3078	H12	SLES	1	53.6496	67.0274	56.6394	HAL3	3075	0	0	0	0.09	
-3079	NA	SLES	1	50.1713	88.7797	67.8018	NA	0	0	0	0	1	
-3080	S	SLES	1	48.4237	88.7483	64.5932	SL	3081	3082	3083	3084	1.33	
-3081	OS1	SLES	1	49.1892	87.4191	65.2673	OSL	3080	3085	0	0	-0.28	
-3082	OS2	SLES	1	47.4369	89.1847	65.5593	O2L	3080	0	0	0	-0.65	
-3083	OS3	SLES	1	49.4434	89.7646	64.4378	O2L	3080	0	0	0	-0.65	
-3084	OS4	SLES	1	47.7834	88.4902	63.3134	O2L	3080	0	0	0	-0.65	
-3085	C2	SLES	1	48.8739	86.1905	64.4854	CC32A	3081	3086	3087	3088	-0.11	
-3086	H2A	SLES	1	47.7605	86.0438	64.4081	HCA2	3085	0	0	0	0.09	
-3087	H2B	SLES	1	49.299	86.307	63.4501	HCA2	3085	0	0	0	0.09	
-3088	C1	SLES	1	49.5374	84.9211	65.203	CC32A	3085	3089	3090	3091	-0.01	
-3089	H1B	SLES	1	49.1848	84.8548	66.2579	HCA2	3088	0	0	0	0.09	
-3090	H1A	SLES	1	50.6478	85.0214	65.2006	HCA2	3088	0	0	0	0.09	
-3091	O1	SLES	1	49.2915	83.5624	64.682	OC30A	3088	3092	0	0	-0.34	
-3092	C2	SLES	1	48.7997	83.4692	63.3284	CC32A	3091	3093	3094	3095	-0.01	
-3093	H2A	SLES	1	47.8411	84.0195	63.3986	HCA2	3092	0	0	0	0.09	
-3094	H2B	SLES	1	49.5303	84.0919	62.7646	HCA2	3092	0	0	0	0.09	
-3095	C1	SLES	1	48.5712	82.1199	62.5772	CC32A	3092	3096	3097	3098	-0.01	
-3096	H1B	SLES	1	47.5286	81.7707	62.7422	HCA2	3095	0	0	0	0.09	
-3097	H1A	SLES	1	48.7258	82.2754	61.4907	HCA2	3095	0	0	0	0.09	
-3098	O1	SLES	1	49.3021	80.8913	62.8919	OC30A	3095	3099	0	0	-0.34	
-3099	C1	SLES	1	49.4984	79.974	61.7543	CTL2	3098	3100	3101	3102	-0.18	
-3100	H11	SLES	1	48.8683	80.3437	60.9252	HAL2	3099	0	0	0	0.09	
-3101	H12	SLES	1	50.5627	80.1632	61.5041	HAL2	3099	0	0	0	0.09	
-3102	C2	SLES	1	49.2615	78.4242	61.9498	CTL2	3099	3103	3104	3105	-0.18	
-3103	H21	SLES	1	48.9174	78.2365	62.9915	HAL2	3102	0	0	0	0.09	
-3104	H22	SLES	1	50.2264	77.8903	61.8065	HAL2	3102	0	0	0	0.09	
-3105	C3	SLES	1	48.1756	77.8338	60.9247	CTL2	3102	3106	3107	3108	-0.18	
-3106	H31	SLES	1	47.2177	77.6713	61.4672	HAL2	3105	0	0	0	0.09	
-3107	H32	SLES	1	47.9913	78.5786	60.125	HAL2	3105	0	0	0	0.09	
-3108	C4	SLES	1	48.6286	76.4677	60.2608	CTL2	3105	3109	3110	3111	-0.18	
-3109	H41	SLES	1	48.1009	75.6308	60.7643	HAL2	3108	0	0	0	0.09	
-3110	H42	SLES	1	49.7197	76.3291	60.4192	HAL2	3108	0	0	0	0.09	
-3111	C5	SLES	1	48.3209	76.4131	58.6964	CTL2	3108	3112	3113	3114	-0.18	
-3112	H51	SLES	1	47.5672	77.1924	58.4473	HAL2	3111	0	0	0	0.09	
-3113	H52	SLES	1	49.254	76.6478	58.135	HAL2	3111	0	0	0	0.09	
-3114	C6	SLES	1	47.779	75.0109	58.226	CTL2	3111	3115	3116	3117	-0.18	
-3115	H61	SLES	1	46.7366	74.8825	58.5947	HAL2	3114	0	0	0	0.09	
-3116	H62	SLES	1	47.7539	74.9878	57.1114	HAL2	3114	0	0	0	0.09	
-3117	C7	SLES	1	48.6509	73.8216	58.7394	CTL2	3114	3118	3119	3120	-0.18	
-3118	H71	SLES	1	48.3657	73.5896	59.7895	HAL2	3117	0	0	0	0.09	
-3119	H72	SLES	1	49.7213	74.1259	58.7335	HAL2	3117	0	0	0	0.09	
-3120	C8	SLES	1	48.4843	72.5445	57.8789	CTL2	3117	3121	3122	3123	-0.18	
-3121	H81	SLES	1	47.3996	72.3676	57.6957	HAL2	3120	0	0	0	0.09	
-3122	H82	SLES	1	48.9784	72.7028	56.8933	HAL2	3120	0	0	0	0.09	
-3123	C9	SLES	1	49.0943	71.2913	58.5555	CTL2	3120	3124	3125	3126	-0.18	
-3124	H91	SLES	1	48.6207	71.1508	59.5537	HAL2	3123	0	0	0	0.09	
-3125	H92	SLES	1	50.1838	71.4579	58.7127	HAL2	3123	0	0	0	0.09	
-3126	C10	SLES	1	48.896	70.0057	57.718	CTL2	3123	3127	3128	3129	-0.18	
-3127	H10	SLES	1	47.8054	69.8259	57.5804	HAL2	3126	0	0	0	0.09	
-3128	H10	SLES	1	49.35	70.1535	56.712	HAL2	3126	0	0	0	0.09	
-3129	C11	SLES	1	49.5349	68.7582	58.3839	CTL2	3126	3130	3131	3132	-0.18	
-3130	H11	SLES	1	49.0729	68.6107	59.3869	HAL2	3129	0	0	0	0.09	
-3131	H11	SLES	1	50.6218	68.9498	58.5359	HAL2	3129	0	0	0	0.09	
-3132	C12	SLES	1	49.3675	67.4553	57.5601	CTL3	3129	3133	3134	3135	-0.27	
-3133	H12	SLES	1	48.8172	66.6914	58.1525	HAL3	3132	0	0	0	0.09	
-3134	H12	SLES	1	50.3628	67.0411	57.2853	HAL3	3132	0	0	0	0.09	
-3135	H12	SLES	1	48.7982	67.6578	56.6269	HAL3	3132	0	0	0	0.09	
-3136	NA	SLES	1	39.2322	87.5058	68.0507	NA	0	0	0	0	1	
-3137	S	SLES	1	38.313	87.3664	64.5172	SL	3138	3139	3140	3141	1.33	
-3138	OS1	SLES	1	39.1043	86.1391	65.3387	OSL	3137	3142	0	0	-0.28	
-3139	OS2	SLES	1	37.0703	87.5962	65.2244	O2L	3137	0	0	0	-0.65	
-3140	OS3	SLES	1	39.1625	88.5344	64.6223	O2L	3137	0	0	0	-0.65	
-3141	OS4	SLES	1	38.0406	87.0772	63.1183	O2L	3137	0	0	0	-0.65	
-3142	C2	SLES	1	39.1839	84.9174	64.4893	CC32A	3138	3143	3144	3145	-0.11	
-3143	H2A	SLES	1	38.1584	84.6047	64.1462	HCA2	3142	0	0	0	0.09	
-3144	H2B	SLES	1	39.8149	85.15	63.5872	HCA2	3142	0	0	0	0.09	
-3145	C1	SLES	1	39.8574	83.7311	65.3294	CC32A	3142	3146	3147	3148	-0.01	
-3146	H1B	SLES	1	39.2832	83.5583	66.2685	HCA2	3145	0	0	0	0.09	
-3147	H1A	SLES	1	40.9062	84.0016	65.5938	HCA2	3145	0	0	0	0.09	
-3148	O1	SLES	1	39.9635	82.3787	64.7484	OC30A	3145	3149	0	0	-0.34	
-3149	C2	SLES	1	39.8241	82.2789	63.3155	CC32A	3148	3150	3151	3152	-0.01	
-3150	H2A	SLES	1	38.7995	82.6704	63.161	HCA2	3149	0	0	0	0.09	
-3151	H2B	SLES	1	40.5556	83.0344	62.9503	HCA2	3149	0	0	0	0.09	
-3152	C1	SLES	1	39.9992	80.95	62.5152	CC32A	3149	3153	3154	3155	-0.01	
-3153	H1B	SLES	1	39.0177	80.4362	62.4219	HCA2	3152	0	0	0	0.09	
-3154	H1A	SLES	1	40.3766	81.1818	61.4991	HCA2	3152	0	0	0	0.09	
-3155	O1	SLES	1	40.8251	79.8346	62.9807	OC30A	3152	3156	0	0	-0.34	
-3156	C1	SLES	1	41.428	79.017	61.9121	CTL2	3155	3157	3158	3159	-0.18	
-3157	H11	SLES	1	40.9582	79.3261	60.9609	HAL2	3156	0	0	0	0.09	
-3158	H12	SLES	1	42.4763	79.3804	61.926	HAL2	3156	0	0	0	0.09	
-3159	C2	SLES	1	41.4061	77.4413	62.0266	CTL2	3156	3160	3161	3162	-0.18	
-3160	H21	SLES	1	40.8627	77.1506	62.9534	HAL2	3159	0	0	0	0.09	
-3161	H22	SLES	1	42.451	77.0706	62.1117	HAL2	3159	0	0	0	0.09	
-3162	C3	SLES	1	40.7006	76.7426	60.7645	CTL2	3159	3163	3164	3165	-0.18	
-3163	H31	SLES	1	39.6816	76.4073	61.0602	HAL2	3162	0	0	0	0.09	
-3164	H32	SLES	1	40.5905	77.4893	59.953	HAL2	3162	0	0	0	0.09	
-3165	C4	SLES	1	41.5113	75.4979	60.2118	CTL2	3162	3166	3167	3168	-0.18	
-3166	H41	SLES	1	41.0231	74.5655	60.5644	HAL2	3165	0	0	0	0.09	
-3167	H42	SLES	1	42.5427	75.5216	60.6248	HAL2	3165	0	0	0	0.09	
-3168	C5	SLES	1	41.5914	75.4752	58.6187	CTL2	3165	3169	3170	3171	-0.18	
-3169	H51	SLES	1	40.801	76.1403	58.2059	HAL2	3168	0	0	0	0.09	
-3170	H52	SLES	1	42.5794	75.879	58.2996	HAL2	3168	0	0	0	0.09	
-3171	C6	SLES	1	41.409	74.0316	58.0155	CTL2	3168	3172	3173	3174	-0.18	
-3172	H61	SLES	1	40.3441	73.7255	58.1226	HAL2	3171	0	0	0	0.09	
-3173	H62	SLES	1	41.6496	74.061	56.927	HAL2	3171	0	0	0	0.09	
-3174	C7	SLES	1	42.3171	72.9668	58.7081	CTL2	3171	3175	3176	3177	-0.18	
-3175	H71	SLES	1	41.8355	72.6411	59.6567	HAL2	3174	0	0	0	0.09	
-3176	H72	SLES	1	43.2954	73.4326	58.962	HAL2	3174	0	0	0	0.09	
-3177	C8	SLES	1	42.5656	71.7242	57.8174	CTL2	3174	3178	3179	3180	-0.18	
-3178	H81	SLES	1	41.5973	71.3914	57.3781	HAL2	3177	0	0	0	0.09	
-3179	H82	SLES	1	43.2444	72.0062	56.9805	HAL2	3177	0	0	0	0.09	
-3180	C9	SLES	1	43.1949	70.5477	58.6051	CTL2	3177	3181	3182	3183	-0.18	
-3181	H91	SLES	1	42.5299	70.2859	59.4593	HAL2	3180	0	0	0	0.09	
-3182	H92	SLES	1	44.1755	70.8724	59.0202	HAL2	3180	0	0	0	0.09	
-3183	C10	SLES	1	43.4089	69.2907	57.729	CTL2	3180	3184	3185	3186	-0.18	
-3184	H10	SLES	1	42.4246	68.9519	57.3325	HAL2	3183	0	0	0	0.09	
-3185	H10	SLES	1	44.0556	69.5571	56.8626	HAL2	3183	0	0	0	0.09	
-3186	C11	SLES	1	44.0674	68.1249	58.5134	CTL2	3183	3187	3188	3189	-0.18	
-3187	H11	SLES	1	43.4135	67.8576	59.3749	HAL2	3186	0	0	0	0.09	
-3188	H11	SLES	1	45.0427	68.474	58.9231	HAL2	3186	0	0	0	0.09	
-3189	C12	SLES	1	44.3106	66.8548	57.6578	CTL3	3186	3190	3191	3192	-0.27	
-3190	H12	SLES	1	43.768	65.9863	58.0921	HAL3	3189	0	0	0	0.09	
-3191	H12	SLES	1	45.396	66.6135	57.624	HAL3	3189	0	0	0	0.09	
-3192	H12	SLES	1	43.9505	67.0136	56.618	HAL3	3189	0	0	0	0.09	
-3193	NA	SLES	1	29.0071	83.3381	68.1451	NA	0	0	0	0	1	
-3194	S	SLES	1	28.8989	83.4508	64.4946	SL	3195	3196	3197	3198	1.33	
-3195	OS1	SLES	1	29.692	82.2717	65.3823	OSL	3194	3199	0	0	-0.28	
-3196	OS2	SLES	1	27.5135	83.4158	64.915	O2L	3194	0	0	0	-0.65	
-3197	OS3	SLES	1	29.4974	84.7129	64.8761	O2L	3194	0	0	0	-0.65	
-3198	OS4	SLES	1	28.9836	83.2789	63.0531	O2L	3194	0	0	0	-0.65	
-3199	C2	SLES	1	30.1554	81.1752	64.486	CC32A	3195	3200	3201	3202	-0.11	
-3200	H2A	SLES	1	29.2942	80.7537	63.8962	HCA2	3199	0	0	0	0.09	
-3201	H2B	SLES	1	30.9157	81.5956	63.7709	HCA2	3199	0	0	0	0.09	
-3202	C1	SLES	1	30.8243	80.0171	65.3678	CC32A	3199	3203	3204	3205	-0.01	
-3203	H1B	SLES	1	30.1006	79.6598	66.1361	HCA2	3202	0	0	0	0.09	
-3204	H1A	SLES	1	31.7318	80.4091	65.8834	HCA2	3202	0	0	0	0.09	
-3205	O1	SLES	1	31.2779	78.7668	64.7285	OC30A	3202	3206	0	0	-0.34	
-3206	C2	SLES	1	31.4658	78.8044	63.2981	CC32A	3205	3207	3208	3209	-0.01	
-3207	H2A	SLES	1	30.4469	79.0546	62.9435	HCA2	3206	0	0	0	0.09	
-3208	H2B	SLES	1	32.1205	79.695	63.1658	HCA2	3206	0	0	0	0.09	
-3209	C1	SLES	1	32.0287	77.6113	62.4633	CC32A	3206	3210	3211	3212	-0.01	
-3210	H1B	SLES	1	31.1905	76.9713	62.1113	HCA2	3209	0	0	0	0.09	
-3211	H1A	SLES	1	32.5695	78.0058	61.5798	HCA2	3209	0	0	0	0.09	
-3212	O1	SLES	1	32.9121	76.5862	63.0215	OC30A	3209	3213	0	0	-0.34	
-3213	C1	SLES	1	33.8578	75.9882	62.0612	CTL2	3212	3214	3215	3216	-0.18	
-3214	H11	SLES	1	33.5564	76.3265	61.0533	HAL2	3213	0	0	0	0.09	
-3215	H12	SLES	1	34.8025	76.4989	62.3402	HAL2	3213	0	0	0	0.09	
-3216	C2	SLES	1	34.0776	74.4236	62.0515	CTL2	3213	3217	3218	3219	-0.18	
-3217	H21	SLES	1	33.4061	73.9564	62.8062	HAL2	3216	0	0	0	0.09	
-3218	H22	SLES	1	35.1275	74.2043	62.345	HAL2	3216	0	0	0	0.09	
-3219	C3	SLES	1	33.7852	73.7703	60.614	CTL2	3216	3220	3221	3222	-0.18	
-3220	H31	SLES	1	32.798	73.2577	60.6442	HAL2	3219	0	0	0	0.09	
-3221	H32	SLES	1	33.7265	74.5766	59.8559	HAL2	3219	0	0	0	0.09	
-3222	C4	SLES	1	34.8928	72.7269	60.1706	CTL2	3219	3223	3224	3225	-0.18	
-3223	H41	SLES	1	34.5048	71.6997	60.3331	HAL2	3222	0	0	0	0.09	
-3224	H42	SLES	1	35.7935	72.8575	60.8083	HAL2	3222	0	0	0	0.09	
-3225	C5	SLES	1	35.3132	72.8903	58.6404	CTL2	3222	3226	3227	3228	-0.18	
-3226	H51	SLES	1	34.5286	73.4723	58.1084	HAL2	3225	0	0	0	0.09	
-3227	H52	SLES	1	36.2641	73.4681	58.5854	HAL2	3225	0	0	0	0.09	
-3228	C6	SLES	1	35.5093	71.5101	57.907	CTL2	3225	3229	3230	3231	-0.18	
-3229	H61	SLES	1	34.5132	71.0402	57.7459	HAL2	3228	0	0	0	0.09	
-3230	H62	SLES	1	35.9679	71.6933	56.9072	HAL2	3228	0	0	0	0.09	
-3231	C7	SLES	1	36.415	70.5221	58.7082	CTL2	3228	3232	3233	3234	-0.18	
-3232	H71	SLES	1	35.8041	70.0272	59.4954	HAL2	3231	0	0	0	0.09	
-3233	H72	SLES	1	37.224	71.0968	59.2118	HAL2	3231	0	0	0	0.09	
-3234	C8	SLES	1	37.0532	69.4345	57.8086	CTL2	3231	3235	3236	3237	-0.18	
-3235	H81	SLES	1	36.2709	69.0123	57.1369	HAL2	3234	0	0	0	0.09	
-3236	H82	SLES	1	37.8373	69.9034	57.1714	HAL2	3234	0	0	0	0.09	
-3237	C9	SLES	1	37.689	68.2852	58.6302	CTL2	3234	3238	3239	3240	-0.18	
-3238	H91	SLES	1	36.9111	67.8363	59.2888	HAL2	3237	0	0	0	0.09	
-3239	H92	SLES	1	38.4896	68.7039	59.2806	HAL2	3237	0	0	0	0.09	
-3240	C10	SLES	1	38.2933	67.1768	57.736	CTL2	3237	3241	3242	3243	-0.18	
-3241	H10	SLES	1	37.4876	66.7415	57.1018	HAL2	3240	0	0	0	0.09	
-3242	H10	SLES	1	39.0555	67.6288	57.0617	HAL2	3240	0	0	0	0.09	
-3243	C11	SLES	1	38.9562	66.0426	58.5619	CTL2	3240	3244	3245	3246	-0.18	
-3244	H11	SLES	1	38.1884	65.5891	59.2297	HAL2	3243	0	0	0	0.09	
-3245	H11	SLES	1	39.7488	66.4852	59.2076	HAL2	3243	0	0	0	0.09	
-3246	C12	SLES	1	39.5865	64.9234	57.6932	CTL3	3243	3247	3248	3249	-0.27	
-3247	H12	SLES	1	39.1179	63.9421	57.9274	HAL3	3246	0	0	0	0.09	
-3248	H12	SLES	1	40.679	64.8504	57.89	HAL3	3246	0	0	0	0.09	
-3249	H12	SLES	1	39.4348	65.1397	56.6133	HAL3	3246	0	0	0	0.09	
-3250	NA	SLES	1	20.272	76.5799	68.0786	NA	0	0	0	0	1	
-3251	S	SLES	1	20.7961	77.2605	64.5272	SL	3252	3253	3254	3255	1.33	
-3252	OS1	SLES	1	21.6099	76.0809	65.3952	OSL	3251	3256	0	0	-0.28	
-3253	OS2	SLES	1	19.3851	76.9592	64.6523	O2L	3251	0	0	0	-0.65	
-3254	OS3	SLES	1	21.0909	78.5179	65.182	O2L	3251	0	0	0	-0.65	
-3255	OS4	SLES	1	21.1637	77.3363	63.1223	O2L	3251	0	0	0	-0.65	
-3256	C2	SLES	1	22.4068	75.2208	64.4756	CC32A	3252	3257	3258	3259	-0.11	
-3257	H2A	SLES	1	21.7496	74.7799	63.675	HCA2	3256	0	0	0	0.09	
-3258	H2B	SLES	1	23.1981	75.8556	63.9889	HCA2	3256	0	0	0	0.09	
-3259	C1	SLES	1	23.0977	74.0447	65.3157	CC32A	3256	3260	3261	3262	-0.01	
-3260	H1B	SLES	1	22.3215	73.4683	65.8697	HCA2	3259	0	0	0	0.09	
-3261	H1A	SLES	1	23.8179	74.4754	66.0498	HCA2	3259	0	0	0	0.09	
-3262	O1	SLES	1	23.866	72.9918	64.6237	OC30A	3259	3263	0	0	-0.34	
-3263	C2	SLES	1	24.2956	73.2853	63.2776	CC32A	3262	3264	3265	3266	-0.01	
-3264	H2A	SLES	1	23.3282	73.4398	62.7609	HCA2	3263	0	0	0	0.09	
-3265	H2B	SLES	1	24.8002	74.2706	63.3965	HCA2	3263	0	0	0	0.09	
-3266	C1	SLES	1	25.1947	72.3354	62.4251	CC32A	3263	3267	3268	3269	-0.01	
-3267	H1B	SLES	1	24.5551	71.6463	61.8316	HCA2	3266	0	0	0	0.09	
-3268	H1A	SLES	1	25.8076	72.9404	61.7273	HCA2	3266	0	0	0	0.09	
-3269	O1	SLES	1	26.1279	71.3721	63.0114	OC30A	3266	3270	0	0	-0.34	
-3270	C1	SLES	1	27.3177	71.0786	62.1914	CTL2	3269	3271	3272	3273	-0.18	
-3271	H11	SLES	1	27.1464	71.5273	61.1963	HAL2	3270	0	0	0	0.09	
-3272	H12	SLES	1	28.0956	71.6685	62.7187	HAL2	3270	0	0	0	0.09	
-3273	C2	SLES	1	27.8017	69.5841	62.0228	CTL2	3270	3274	3275	3276	-0.18	
-3274	H21	SLES	1	27.0975	68.91	62.5598	HAL2	3273	0	0	0	0.09	
-3275	H22	SLES	1	28.8047	69.4741	62.4904	HAL2	3273	0	0	0	0.09	
-3276	C3	SLES	1	27.8862	69.1348	60.4835	CTL2	3273	3277	3278	3279	-0.18	
-3277	H31	SLES	1	27.0125	68.4873	60.2477	HAL2	3276	0	0	0	0.09	
-3278	H32	SLES	1	27.8251	70.0354	59.8404	HAL2	3276	0	0	0	0.09	
-3279	C4	SLES	1	29.2177	68.3467	60.14	CTL2	3276	3280	3281	3282	-0.18	
-3280	H41	SLES	1	28.9898	67.2617	60.0862	HAL2	3279	0	0	0	0.09	
-3281	H42	SLES	1	29.9547	68.5016	60.9573	HAL2	3279	0	0	0	0.09	
-3282	C5	SLES	1	29.8687	68.8125	58.7601	CTL2	3279	3283	3284	3285	-0.18	
-3283	H51	SLES	1	29.1027	69.3532	58.1615	HAL2	3282	0	0	0	0.09	
-3284	H52	SLES	1	30.7004	69.5225	58.9729	HAL2	3282	0	0	0	0.09	
-3285	C6	SLES	1	30.4266	67.6108	57.9081	CTL2	3282	3286	3287	3288	-0.18	
-3286	H61	SLES	1	29.5709	67.0343	57.4902	HAL2	3285	0	0	0	0.09	
-3287	H62	SLES	1	31.0169	68.0163	57.0533	HAL2	3285	0	0	0	0.09	
-3288	C7	SLES	1	31.3319	66.6479	58.7395	CTL2	3285	3289	3290	3291	-0.18	
-3289	H71	SLES	1	30.6854	65.9503	59.3168	HAL2	3288	0	0	0	0.09	
-3290	H72	SLES	1	31.9273	67.2448	59.4659	HAL2	3288	0	0	0	0.09	
-3291	C8	SLES	1	32.2972	65.8223	57.8531	CTL2	3288	3292	3293	3294	-0.18	
-3292	H81	SLES	1	31.7312	65.4052	56.9888	HAL2	3291	0	0	0	0.09	
-3293	H82	SLES	1	33.0894	66.4954	57.453	HAL2	3291	0	0	0	0.09	
-3294	C9	SLES	1	32.9652	64.6597	58.6293	CTL2	3291	3295	3296	3297	-0.18	
-3295	H91	SLES	1	32.1718	64.0035	59.0539	HAL2	3294	0	0	0	0.09	
-3296	H92	SLES	1	33.5534	65.0795	59.4762	HAL2	3294	0	0	0	0.09	
-3297	C10	SLES	1	33.9004	63.808	57.7385	CTL2	3294	3298	3299	3300	-0.18	
-3298	H10	SLES	1	33.3073	63.3688	56.9042	HAL2	3297	0	0	0	0.09	
-3299	H10	SLES	1	34.6808	64.4674	57.2958	HAL2	3297	0	0	0	0.09	
-3300	C11	SLES	1	34.5912	62.6634	58.5261	CTL2	3297	3301	3302	3303	-0.18	
-3301	H11	SLES	1	33.8067	62.0028	58.9612	HAL2	3300	0	0	0	0.09	
-3302	H11	SLES	1	35.1683	63.106	59.37	HAL2	3300	0	0	0	0.09	
-3303	C12	SLES	1	35.5489	61.8008	57.664	CTL3	3300	3304	3305	3306	-0.27	
-3304	H12	SLES	1	35.2222	60.7375	57.6696	HAL3	3303	0	0	0	0.09	
-3305	H12	SLES	1	36.585	61.8553	58.0652	HAL3	3303	0	0	0	0.09	
-3306	H12	SLES	1	35.5564	62.1636	56.6131	HAL3	3303	0	0	0	0.09	
-3307	NA	SLES	1	13.6812	67.7481	67.8557	NA	0	0	0	0	1	
-3308	S	SLES	1	14.5375	69.1971	64.6126	SL	3309	3310	3311	3312	1.33	
-3309	OS1	SLES	1	15.4224	67.9968	65.3765	OSL	3308	3313	0	0	-0.28	
-3310	OS2	SLES	1	13.1953	68.6768	64.454	O2L	3308	0	0	0	-0.65	
-3311	OS3	SLES	1	14.5239	70.3262	65.519	O2L	3308	0	0	0	-0.65	
-3312	OS4	SLES	1	15.0661	69.606	63.3211	O2L	3308	0	0	0	-0.65	
-3313	C2	SLES	1	16.4681	67.4632	64.4589	CC32A	3309	3314	3315	3316	-0.11	
-3314	H2A	SLES	1	16.0064	67.1023	63.4978	HCA2	3313	0	0	0	0.09	
-3315	H2B	SLES	1	17.1948	68.2901	64.2261	HCA2	3313	0	0	0	0.09	
-3316	C1	SLES	1	17.2359	66.2542	65.1766	CC32A	3313	3317	3318	3319	-0.01	
-3317	H1B	SLES	1	16.5053	65.4725	65.4875	HCA2	3316	0	0	0	0.09	
-3318	H1A	SLES	1	17.7697	66.6277	66.0815	HCA2	3316	0	0	0	0.09	
-3319	O1	SLES	1	18.2574	65.4839	64.4411	OC30A	3316	3320	0	0	-0.34	
-3320	C2	SLES	1	18.8014	66.1008	63.2552	CC32A	3319	3321	3322	3323	-0.01	
-3321	H2A	SLES	1	17.8973	66.215	62.6257	HCA2	3320	0	0	0	0.09	
-3322	H2B	SLES	1	19.109	67.1042	63.6267	HCA2	3320	0	0	0	0.09	
-3323	C1	SLES	1	19.9536	65.4813	62.4032	CC32A	3320	3324	3325	3326	-0.01	
-3324	H1B	SLES	1	19.5249	64.8408	61.6019	HCA2	3323	0	0	0	0.09	
-3325	H1A	SLES	1	20.5386	66.2961	61.9316	HCA2	3323	0	0	0	0.09	
-3326	O1	SLES	1	20.9545	64.5645	62.9512	OC30A	3323	3327	0	0	-0.34	
-3327	C1	SLES	1	22.2734	64.6163	62.294	CTL2	3326	3328	3329	3330	-0.18	
-3328	H11	SLES	1	22.1582	65.2265	61.38	HAL2	3327	0	0	0	0.09	
-3329	H12	SLES	1	22.8629	65.194	63.0356	HAL2	3327	0	0	0	0.09	
-3330	C2	SLES	1	23.0252	63.2718	61.9426	CTL2	3327	3331	3332	3333	-0.18	
-3331	H21	SLES	1	22.3837	62.4093	62.2312	HAL2	3330	0	0	0	0.09	
-3332	H22	SLES	1	23.9627	63.2157	62.538	HAL2	3330	0	0	0	0.09	
-3333	C3	SLES	1	23.3851	63.1582	60.3818	CTL2	3330	3334	3335	3336	-0.18	
-3334	H31	SLES	1	22.6741	62.4523	59.8976	HAL2	3333	0	0	0	0.09	
-3335	H32	SLES	1	23.2541	64.1513	59.9076	HAL2	3333	0	0	0	0.09	
-3336	C4	SLES	1	24.8656	62.6555	60.1221	CTL2	3333	3337	3338	3339	-0.18	
-3337	H41	SLES	1	24.8368	61.5821	59.8406	HAL2	3336	0	0	0	0.09	
-3338	H42	SLES	1	25.4523	62.7474	61.0615	HAL2	3336	0	0	0	0.09	
-3339	C5	SLES	1	25.6005	63.478	58.9696	CTL2	3336	3340	3341	3342	-0.18	
-3340	H51	SLES	1	24.8372	64.0119	58.3615	HAL2	3339	0	0	0	0.09	
-3341	H52	SLES	1	26.2627	64.2429	59.4359	HAL2	3339	0	0	0	0.09	
-3342	C6	SLES	1	26.4628	62.5653	58.0185	CTL2	3339	3343	3344	3345	-0.18	
-3343	H61	SLES	1	25.7808	61.9675	57.3731	HAL2	3342	0	0	0	0.09	
-3344	H62	SLES	1	27.0805	63.2151	57.3554	HAL2	3342	0	0	0	0.09	
-3345	C7	SLES	1	27.4044	61.5955	58.8001	CTL2	3342	3346	3347	3348	-0.18	
-3346	H71	SLES	1	26.8182	60.7104	59.1329	HAL2	3345	0	0	0	0.09	
-3347	H72	SLES	1	27.7887	62.1136	59.707	HAL2	3345	0	0	0	0.09	
-3348	C8	SLES	1	28.6044	61.1129	57.9478	CTL2	3345	3349	3350	3351	-0.18	
-3349	H81	SLES	1	28.2359	60.8009	56.9437	HAL2	3348	0	0	0	0.09	
-3350	H82	SLES	1	29.3141	61.9596	57.8062	HAL2	3348	0	0	0	0.09	
-3351	C9	SLES	1	29.3559	59.9265	58.6022	CTL2	3348	3352	3353	3354	-0.18	
-3352	H91	SLES	1	28.6389	59.0911	58.7706	HAL2	3351	0	0	0	0.09	
-3353	H92	SLES	1	29.7479	60.2477	59.5935	HAL2	3351	0	0	0	0.09	
-3354	C10	SLES	1	30.5315	59.4151	57.7362	CTL2	3351	3355	3356	3357	-0.18	
-3355	H10	SLES	1	30.1364	59.0718	56.7529	HAL2	3354	0	0	0	0.09	
-3356	H10	SLES	1	31.2376	60.2555	57.5488	HAL2	3354	0	0	0	0.09	
-3357	C11	SLES	1	31.3007	58.2472	58.4086	CTL2	3354	3358	3359	3360	-0.18	
-3358	H11	SLES	1	30.5918	57.4067	58.5877	HAL2	3357	0	0	0	0.09	
-3359	H11	SLES	1	31.6783	58.5896	59.3992	HAL2	3357	0	0	0	0.09	
-3360	C12	SLES	1	32.4964	57.7227	57.5721	CTL3	3357	3361	3362	3363	-0.27	
-3361	H12	SLES	1	32.3597	56.6443	57.3363	HAL3	3360	0	0	0	0.09	
-3362	H12	SLES	1	33.4466	57.8441	58.1377	HAL3	3360	0	0	0	0.09	
-3363	H12	SLES	1	32.5779	58.2866	56.6174	HAL3	3360	0	0	0	0.09	
-3364	NA	SLES	1	9.70693	57.5229	67.4915	NA	0	0	0	0	1	
-3365	S	SLES	1	10.5431	59.783	64.745	SL	3366	3367	3368	3369	1.33	
-3366	OS1	SLES	1	11.5588	58.5845	65.3275	OSL	3365	3370	0	0	-0.28	
-3367	OS2	SLES	1	9.32302	59.12	64.3337	O2L	3365	0	0	0	-0.65	
-3368	OS3	SLES	1	10.2729	60.6611	65.8642	O2L	3365	0	0	0	-0.65	
-3369	OS4	SLES	1	11.0887	60.5489	63.6359	O2L	3365	0	0	0	-0.65	
-3370	C2	SLES	1	12.7441	58.4347	64.4369	CC32A	3366	3371	3372	3373	-0.11	
-3371	H2A	SLES	1	12.4216	58.238	63.3765	HCA2	3370	0	0	0	0.09	
-3372	H2B	SLES	1	13.3363	59.3909	64.4665	HCA2	3370	0	0	0	0.09	
-3373	C1	SLES	1	13.6496	57.2211	64.96	CC32A	3370	3374	3375	3376	-0.01	
-3374	H1B	SLES	1	13.0402	56.2899	65.0155	HCA2	3373	0	0	0	0.09	
-3375	H1A	SLES	1	14.0449	57.4532	65.9763	HCA2	3373	0	0	0	0.09	
-3376	O1	SLES	1	14.8375	56.7983	64.1931	OC30A	3373	3377	0	0	-0.34	
-3377	C2	SLES	1	15.3555	57.7425	63.2326	CC32A	3376	3378	3379	3380	-0.01	
-3378	H2A	SLES	1	14.4939	57.8623	62.5471	HCA2	3377	0	0	0	0.09	
-3379	H2B	SLES	1	15.4616	58.6691	63.8407	HCA2	3377	0	0	0	0.09	
-3380	C1	SLES	1	16.6551	57.5108	62.3991	CC32A	3377	3381	3382	3383	-0.01	
-3381	H1B	SLES	1	16.4004	57.0136	61.4378	HCA2	3380	0	0	0	0.09	
-3382	H1A	SLES	1	17.1276	58.4889	62.1787	HCA2	3380	0	0	0	0.09	
-3383	O1	SLES	1	17.753	56.6515	62.845	OC30A	3380	3384	0	0	-0.34	
-3384	C1	SLES	1	19.089	57.0461	62.3619	CTL2	3383	3385	3386	3387	-0.18	
-3385	H11	SLES	1	18.9403	57.8246	61.5919	HAL2	3384	0	0	0	0.09	
-3386	H12	SLES	1	19.5167	57.5202	63.2694	HAL2	3384	0	0	0	0.09	
-3387	C2	SLES	1	20.0803	55.9433	61.8162	CTL2	3384	3388	3389	3390	-0.18	
-3388	H21	SLES	1	19.5737	54.9527	61.8426	HAL2	3387	0	0	0	0.09	
-3389	H22	SLES	1	20.9674	55.8923	62.4847	HAL2	3387	0	0	0	0.09	
-3390	C3	SLES	1	20.5679	56.2428	60.3159	CTL2	3387	3391	3392	3393	-0.18	
-3391	H31	SLES	1	20.0235	55.5687	59.6177	HAL2	3390	0	0	0	0.09	
-3392	H32	SLES	1	20.3068	57.2873	60.0527	HAL2	3390	0	0	0	0.09	
-3393	C4	SLES	1	22.127	56.037	60.1182	CTL2	3390	3394	3395	3396	-0.18	
-3394	H41	SLES	1	22.3001	55.0639	59.613	HAL2	3393	0	0	0	0.09	
-3395	H42	SLES	1	22.6191	55.9982	61.1138	HAL2	3393	0	0	0	0.09	
-3396	C5	SLES	1	22.7956	57.1999	59.2546	CTL2	3393	3397	3398	3399	-0.18	
-3397	H51	SLES	1	22.0002	57.7394	58.6947	HAL2	3396	0	0	0	0.09	
-3398	H52	SLES	1	23.2834	57.9277	59.9426	HAL2	3396	0	0	0	0.09	
-3399	C6	SLES	1	23.8668	56.6656	58.2308	CTL2	3396	3400	3401	3402	-0.18	
-3400	H61	SLES	1	23.3446	56.1365	57.4023	HAL2	3399	0	0	0	0.09	
-3401	H62	SLES	1	24.4134	57.5334	57.7929	HAL2	3399	0	0	0	0.09	
-3402	C7	SLES	1	24.8983	55.6934	58.8858	CTL2	3399	3403	3404	3405	-0.18	
-3403	H71	SLES	1	24.4466	54.6791	58.9563	HAL2	3402	0	0	0	0.09	
-3404	H72	SLES	1	25.1221	56.0422	59.9186	HAL2	3402	0	0	0	0.09	
-3405	C8	SLES	1	26.2217	55.6004	58.0864	CTL2	3402	3406	3407	3408	-0.18	
-3406	H81	SLES	1	25.9859	55.4745	57.0048	HAL2	3405	0	0	0	0.09	
-3407	H82	SLES	1	26.7872	56.5525	58.2067	HAL2	3405	0	0	0	0.09	
-3408	C9	SLES	1	27.1121	54.4206	58.5509	CTL2	3405	3409	3410	3411	-0.18	
-3409	H91	SLES	1	26.5356	53.4723	58.4581	HAL2	3408	0	0	0	0.09	
-3410	H92	SLES	1	27.3704	54.5619	59.6246	HAL2	3408	0	0	0	0.09	
-3411	C10	SLES	1	28.4174	54.2995	57.7294	CTL2	3408	3412	3413	3414	-0.18	
-3412	H10	SLES	1	28.1591	54.1348	56.6585	HAL2	3411	0	0	0	0.09	
-3413	H10	SLES	1	28.9838	55.2554	57.8036	HAL2	3411	0	0	0	0.09	
-3414	C11	SLES	1	29.3208	53.136	58.2173	CTL2	3411	3415	3416	3417	-0.18	
-3415	H11	SLES	1	28.7523	52.1815	58.1347	HAL2	3414	0	0	0	0.09	
-3416	H11	SLES	1	29.5615	53.2957	59.2932	HAL2	3414	0	0	0	0.09	
-3417	C12	SLES	1	30.6459	52.9986	57.4238	CTL3	3414	3418	3419	3420	-0.27	
-3418	H12	SLES	1	30.7104	51.9942	56.9502	HAL3	3417	0	0	0	0.09	
-3419	H12	SLES	1	31.5179	53.127	58.1025	HAL3	3417	0	0	0	0.09	
-3420	H12	SLES	1	30.7013	53.7709	56.626	HAL3	3417	0	0	0	0.09	
-3421	NA	SLES	1	8.60056	46.6805	67.0111	NA	0	0	0	0	1	
-3422	S	SLES	1	9.09294	49.6329	64.9155	SL	3423	3424	3425	3426	1.33	
-3423	OS1	SLES	1	10.2821	48.5015	65.2515	OSL	3422	3427	0	0	-0.28	
-3424	OS2	SLES	1	8.00129	48.9074	64.2996	O2L	3422	0	0	0	-0.65	
-3425	OS3	SLES	1	8.6707	50.1654	66.1941	O2L	3422	0	0	0	-0.65	
-3426	OS4	SLES	1	9.52073	50.7166	64.0453	O2L	3422	0	0	0	-0.65	
-3427	C2	SLES	1	11.4866	48.7537	64.4113	CC32A	3423	3428	3429	3430	-0.11	
-3428	H2A	SLES	1	11.2131	48.769	63.3195	HCA2	3427	0	0	0	0.09	
-3429	H2B	SLES	1	11.9159	49.7548	64.6936	HCA2	3427	0	0	0	0.09	
-3430	C1	SLES	1	12.5703	47.605	64.6806	CC32A	3427	3431	3432	3433	-0.01	
-3431	H1B	SLES	1	12.119	46.605	64.4859	HCA2	3430	0	0	0	0.09	
-3432	H1A	SLES	1	12.9105	47.6455	65.7416	HCA2	3430	0	0	0	0.09	
-3433	O1	SLES	1	13.8201	47.5663	63.8968	OC30A	3430	3434	0	0	-0.34	
-3434	C2	SLES	1	14.19	48.7812	63.2113	CC32A	3433	3435	3436	3437	-0.01	
-3435	H2A	SLES	1	13.3287	48.927	62.5304	HCA2	3434	0	0	0	0.09	
-3436	H2B	SLES	1	14.1374	49.5404	64.0238	HCA2	3434	0	0	0	0.09	
-3437	C1	SLES	1	15.5199	48.9589	62.413	CC32A	3434	3438	3439	3440	-0.01	
-3438	H1B	SLES	1	15.3607	48.6728	61.3505	HCA2	3437	0	0	0	0.09	
-3439	H1A	SLES	1	15.8305	50.0222	62.4517	HCA2	3437	0	0	0	0.09	
-3440	O1	SLES	1	16.737	48.198	62.7	OC30A	3437	3441	0	0	-0.34	
-3441	C1	SLES	1	17.9972	48.898	62.3904	CTL2	3440	3442	3443	3444	-0.18	
-3442	H11	SLES	1	17.7337	49.8054	61.8176	HAL2	3441	0	0	0	0.09	
-3443	H12	SLES	1	18.3316	49.2014	63.404	HAL2	3441	0	0	0	0.09	
-3444	C2	SLES	1	19.1604	48.1243	61.6523	CTL2	3441	3445	3446	3447	-0.18	
-3445	H21	SLES	1	18.8206	47.0901	61.4205	HAL2	3444	0	0	0	0.09	
-3446	H22	SLES	1	20.036	48.0523	62.3339	HAL2	3444	0	0	0	0.09	
-3447	C3	SLES	1	19.6112	48.8454	60.2902	CTL2	3444	3448	3449	3450	-0.18	
-3448	H31	SLES	1	19.1915	48.2821	59.4272	HAL2	3447	0	0	0	0.09	
-3449	H32	SLES	1	19.1876	49.8692	60.2661	HAL2	3447	0	0	0	0.09	
-3450	C4	SLES	1	21.1852	48.9359	60.1284	CTL2	3447	3451	3452	3453	-0.18	
-3451	H41	SLES	1	21.5196	48.1506	59.4188	HAL2	3450	0	0	0	0.09	
-3452	H42	SLES	1	21.6652	48.7366	61.1107	HAL2	3450	0	0	0	0.09	
-3453	C5	SLES	1	21.6672	50.3604	59.5958	CTL2	3450	3454	3455	3456	-0.18	
-3454	H51	SLES	1	20.8017	50.8888	59.1385	HAL2	3453	0	0	0	0.09	
-3455	H52	SLES	1	22.0225	50.9688	60.4587	HAL2	3453	0	0	0	0.09	
-3456	C6	SLES	1	22.823	50.2583	58.5305	CTL2	3453	3457	3458	3459	-0.18	
-3457	H61	SLES	1	22.4033	49.8686	57.576	HAL2	3456	0	0	0	0.09	
-3458	H62	SLES	1	23.2272	51.2793	58.3359	HAL2	3456	0	0	0	0.09	
-3459	C7	SLES	1	23.9903	49.3289	58.9907	CTL2	3456	3460	3461	3462	-0.18	
-3460	H71	SLES	1	23.7079	48.27	58.799	HAL2	3459	0	0	0	0.09	
-3461	H72	SLES	1	24.1423	49.4508	60.0864	HAL2	3459	0	0	0	0.09	
-3462	C8	SLES	1	25.3209	49.6352	58.2593	CTL2	3459	3463	3464	3465	-0.18	
-3463	H81	SLES	1	25.1215	49.7367	57.1678	HAL2	3462	0	0	0	0.09	
-3464	H82	SLES	1	25.7233	50.6064	58.6274	HAL2	3462	0	0	0	0.09	
-3465	C9	SLES	1	26.3848	48.5305	58.4789	CTL2	3462	3466	3467	3468	-0.18	
-3466	H91	SLES	1	25.9705	47.5546	58.1378	HAL2	3465	0	0	0	0.09	
-3467	H92	SLES	1	26.6039	48.449	59.5674	HAL2	3465	0	0	0	0.09	
-3468	C10	SLES	1	27.7023	48.8123	57.7185	CTL2	3465	3469	3470	3471	-0.18	
-3469	H10	SLES	1	27.487	48.8706	56.6272	HAL2	3468	0	0	0	0.09	
-3470	H10	SLES	1	28.1055	49.7983	58.0428	HAL2	3468	0	0	0	0.09	
-3471	C11	SLES	1	28.7761	47.7197	57.9653	CTL2	3468	3472	3473	3474	-0.18	
-3472	H11	SLES	1	28.3706	46.7366	57.6331	HAL2	3471	0	0	0	0.09	
-3473	H11	SLES	1	28.9748	47.6526	59.0594	HAL2	3471	0	0	0	0.09	
-3474	C12	SLES	1	30.1155	47.9822	57.2293	CTL3	3471	3475	3476	3477	-0.27	
-3475	H12	SLES	1	30.3474	47.1425	56.5375	HAL3	3474	0	0	0	0.09	
-3476	H12	SLES	1	30.947	48.0775	57.9621	HAL3	3474	0	0	0	0.09	
-3477	H12	SLES	1	30.0547	48.9218	56.6382	HAL3	3474	0	0	0	0.09	
-3478	NA	SLES	1	10.3811	36.0188	66.4469	NA	0	0	0	0	1	
-3479	S	SLES	1	10.306	39.4193	65.1124	SL	3480	3481	3482	3483	1.33	
-3480	OS1	SLES	1	11.671	38.4485	65.1538	OSL	3479	3484	0	0	-0.28	
-3481	OS2	SLES	1	9.30989	38.6913	64.354	O2L	3479	0	0	0	-0.65	
-3482	OS3	SLES	1	9.87148	39.5622	66.4862	O2L	3479	0	0	0	-0.65	
-3483	OS4	SLES	1	10.5172	40.7311	64.5214	O2L	3479	0	0	0	-0.65	
-3484	C2	SLES	1	12.7784	39.0819	64.3838	CC32A	3480	3485	3486	3487	-0.11	
-3485	H2A	SLES	1	12.4512	39.3079	63.3307	HCA2	3484	0	0	0	0.09	
-3486	H2B	SLES	1	13.0616	40.045	64.8921	HCA2	3484	0	0	0	0.09	
-3487	C1	SLES	1	14.0385	38.0931	64.3575	CC32A	3484	3488	3489	3490	-0.01	
-3488	H1B	SLES	1	13.7377	37.107	63.9348	HCA2	3487	0	0	0	0.09	
-3489	H1A	SLES	1	14.4212	37.9386	65.3932	HCA2	3487	0	0	0	0.09	
-3490	O1	SLES	1	15.2383	38.4418	63.5721	OC30A	3487	3491	0	0	-0.34	
-3491	C2	SLES	1	15.3813	39.8268	63.1926	CC32A	3490	3492	3493	3494	-0.01	
-3492	H2A	SLES	1	14.4747	39.9865	62.5768	HCA2	3491	0	0	0	0.09	
-3493	H2B	SLES	1	15.2531	40.3558	64.1637	HCA2	3491	0	0	0	0.09	
-3494	C1	SLES	1	16.626	40.3992	62.4441	CC32A	3491	3495	3496	3497	-0.01	
-3495	H1B	SLES	1	16.4597	40.3479	61.346	HCA2	3494	0	0	0	0.09	
-3496	H1A	SLES	1	16.7704	41.4598	62.7322	HCA2	3494	0	0	0	0.09	
-3497	O1	SLES	1	17.9589	39.7996	62.5261	OC30A	3494	3498	0	0	-0.34	
-3498	C1	SLES	1	19.0788	40.7471	62.3777	CTL2	3497	3499	3500	3501	-0.18	
-3499	H11	SLES	1	18.65	41.7085	62.0417	HAL2	3498	0	0	0	0.09	
-3500	H12	SLES	1	19.4128	40.8549	63.4303	HAL2	3498	0	0	0	0.09	
-3501	C2	SLES	1	20.3089	40.3664	61.462	CTL2	3498	3502	3503	3504	-0.18	
-3502	H21	SLES	1	20.1215	39.3742	60.9938	HAL2	3501	0	0	0	0.09	
-3503	H22	SLES	1	21.2182	40.2796	62.0961	HAL2	3501	0	0	0	0.09	
-3504	C3	SLES	1	20.574	41.4495	60.3066	CTL2	3501	3505	3506	3507	-0.18	
-3505	H31	SLES	1	20.2033	41.0436	59.339	HAL2	3504	0	0	0	0.09	
-3506	H32	SLES	1	19.9968	42.3681	60.5331	HAL2	3504	0	0	0	0.09	
-3507	C4	SLES	1	22.105	41.829	60.1522	CTL2	3504	3508	3509	3510	-0.18	
-3508	H41	SLES	1	22.5205	41.2963	59.2714	HAL2	3507	0	0	0	0.09	
-3509	H42	SLES	1	22.6587	41.4856	61.0525	HAL2	3507	0	0	0	0.09	
-3510	C5	SLES	1	22.334	43.3972	59.9699	CTL2	3507	3511	3512	3513	-0.18	
-3511	H51	SLES	1	21.3754	43.8707	59.6626	HAL2	3510	0	0	0	0.09	
-3512	H52	SLES	1	22.634	43.836	60.9489	HAL2	3510	0	0	0	0.09	
-3513	C6	SLES	1	23.4367	43.7358	58.8972	CTL2	3510	3514	3515	3516	-0.18	
-3514	H61	SLES	1	23.0347	43.5178	57.8824	HAL2	3513	0	0	0	0.09	
-3515	H62	SLES	1	23.6682	44.8255	58.9476	HAL2	3513	0	0	0	0.09	
-3516	C7	SLES	1	24.755	42.926	59.1077	CTL2	3513	3517	3518	3519	-0.18	
-3517	H71	SLES	1	24.6302	41.9101	58.6718	HAL2	3516	0	0	0	0.09	
-3518	H72	SLES	1	24.9412	42.811	60.1988	HAL2	3516	0	0	0	0.09	
-3519	C8	SLES	1	25.984	43.6063	58.4548	CTL2	3516	3520	3521	3522	-0.18	
-3520	H81	SLES	1	25.7167	43.9268	57.4217	HAL2	3519	0	0	0	0.09	
-3521	H82	SLES	1	26.2497	44.5162	59.0396	HAL2	3519	0	0	0	0.09	
-3522	C9	SLES	1	27.2153	42.6681	58.391	CTL2	3519	3523	3524	3525	-0.18	
-3523	H91	SLES	1	26.94	41.7453	57.8315	HAL2	3522	0	0	0	0.09	
-3524	H92	SLES	1	27.4988	42.3706	59.4257	HAL2	3522	0	0	0	0.09	
-3525	C10	SLES	1	28.4336	43.3294	57.7043	CTL2	3522	3526	3527	3528	-0.18	
-3526	H10	SLES	1	28.1574	43.606	56.6612	HAL2	3525	0	0	0	0.09	
-3527	H10	SLES	1	28.6957	44.264	58.2501	HAL2	3525	0	0	0	0.09	
-3528	C11	SLES	1	29.6743	42.398	57.6696	CTL2	3525	3529	3530	3531	-0.18	
-3529	H11	SLES	1	29.4092	41.4677	57.1169	HAL2	3528	0	0	0	0.09	
-3530	H11	SLES	1	29.9356	42.1097	58.7135	HAL2	3528	0	0	0	0.09	
-3531	C12	SLES	1	30.9183	43.0387	57.0017	CTL3	3528	3532	3533	3534	-0.27	
-3532	H12	SLES	1	31.242	42.4333	56.1265	HAL3	3531	0	0	0	0.09	
-3533	H12	SLES	1	31.7609	43.0932	57.726	HAL3	3531	0	0	0	0.09	
-3534	H12	SLES	1	30.6837	44.0681	56.6532	HAL3	3531	0	0	0	0.09	
-3535	NA	SLES	1	14.849	26.2872	65.8376	NA	0	0	0	0	1	
-3536	S	SLES	1	14.1269	29.8317	65.3222	SL	3537	3538	3539	3540	1.33	
-3537	OS1	SLES	1	15.6166	29.1183	65.0408	OSL	3536	3541	0	0	-0.28	
-3538	OS2	SLES	1	13.1726	29.1249	64.4933	O2L	3536	0	0	0	-0.65	
-3539	OS3	SLES	1	13.8286	29.6032	66.7206	O2L	3536	0	0	0	-0.65	
-3540	OS4	SLES	1	14.0761	31.2556	65.0318	O2L	3536	0	0	0	-0.65	
-3541	C2	SLES	1	16.5275	30.0785	64.3562	CC32A	3537	3542	3543	3544	-0.11	
-3542	H2A	SLES	1	16.0576	30.4653	63.4092	HCA2	3541	0	0	0	0.09	
-3543	H2B	SLES	1	16.719	30.9447	65.0483	HCA2	3541	0	0	0	0.09	
-3544	C1	SLES	1	17.9095	29.3446	64.0127	CC32A	3541	3545	3546	3547	-0.01	
-3545	H1B	SLES	1	17.7134	28.435	63.3997	HCA2	3544	0	0	0	0.09	
-3546	H1A	SLES	1	18.4216	29.0397	64.9549	HCA2	3544	0	0	0	0.09	
-3547	O1	SLES	1	18.9516	30.0496	63.2414	OC30A	3544	3548	0	0	-0.34	
-3548	C2	SLES	1	18.8461	31.4875	63.178	CC32A	3547	3549	3550	3551	-0.01	
-3549	H2A	SLES	1	17.8641	31.6198	62.6831	HCA2	3548	0	0	0	0.09	
-3550	H2B	SLES	1	18.7478	31.7681	64.2508	HCA2	3548	0	0	0	0.09	
-3551	C1	SLES	1	19.9033	32.4075	62.4901	CC32A	3548	3552	3553	3554	-0.01	
-3552	H1B	SLES	1	19.6275	32.5641	61.4245	HCA2	3551	0	0	0	0.09	
-3553	H1A	SLES	1	19.9199	33.3911	63.0009	HCA2	3551	0	0	0	0.09	
-3554	O1	SLES	1	21.311	32.0373	62.3351	OC30A	3551	3555	0	0	-0.34	
-3555	C1	SLES	1	22.2557	33.1694	62.3246	CTL2	3554	3556	3557	3558	-0.18	
-3556	H11	SLES	1	21.6554	34.094	62.249	HAL2	3555	0	0	0	0.09	
-3557	H12	SLES	1	22.6829	33.105	63.3466	HAL2	3555	0	0	0	0.09	
-3558	C2	SLES	1	23.4211	33.2053	61.2584	CTL2	3555	3559	3560	3561	-0.18	
-3559	H21	SLES	1	23.3325	32.3186	60.5915	HAL2	3558	0	0	0	0.09	
-3560	H22	SLES	1	24.397	33.1398	61.7874	HAL2	3558	0	0	0	0.09	
-3561	C3	SLES	1	23.3955	34.5386	60.3638	CTL2	3558	3562	3563	3564	-0.18	
-3562	H31	SLES	1	22.9856	34.2917	59.3591	HAL2	3561	0	0	0	0.09	
-3563	H32	SLES	1	22.7171	35.2772	60.8355	HAL2	3561	0	0	0	0.09	
-3564	C4	SLES	1	24.8276	35.1944	60.1878	CTL2	3561	3565	3566	3567	-0.18	
-3565	H41	SLES	1	25.2186	34.9395	59.1807	HAL2	3564	0	0	0	0.09	
-3566	H42	SLES	1	25.5209	34.7653	60.9429	HAL2	3564	0	0	0	0.09	
-3567	C5	SLES	1	24.8009	36.7811	60.3513	CTL2	3564	3568	3569	3570	-0.18	
-3568	H51	SLES	1	23.7552	37.1409	60.2313	HAL2	3567	0	0	0	0.09	
-3569	H52	SLES	1	25.1378	37.0453	61.3797	HAL2	3567	0	0	0	0.09	
-3570	C6	SLES	1	25.7178	37.5213	59.3059	CTL2	3567	3571	3572	3573	-0.18	
-3571	H61	SLES	1	25.2441	37.46	58.3004	HAL2	3570	0	0	0	0.09	
-3572	H62	SLES	1	25.7897	38.5983	59.5861	HAL2	3570	0	0	0	0.09	
-3573	C7	SLES	1	27.1564	36.919	59.2289	CTL2	3570	3574	3575	3576	-0.18	
-3574	H71	SLES	1	27.1363	36.0132	58.5833	HAL2	3573	0	0	0	0.09	
-3575	H72	SLES	1	27.4755	36.6072	60.2483	HAL2	3573	0	0	0	0.09	
-3576	C8	SLES	1	28.1926	37.9198	58.6595	CTL2	3573	3577	3578	3579	-0.18	
-3577	H81	SLES	1	27.7698	38.4034	57.7492	HAL2	3576	0	0	0	0.09	
-3578	H82	SLES	1	28.3831	38.7156	59.4151	HAL2	3576	0	0	0	0.09	
-3579	C9	SLES	1	29.5347	37.2377	58.2933	CTL2	3576	3580	3581	3582	-0.18	
-3580	H91	SLES	1	29.3394	36.4225	57.5601	HAL2	3579	0	0	0	0.09	
-3581	H92	SLES	1	29.9702	36.7787	59.2093	HAL2	3579	0	0	0	0.09	
-3582	C10	SLES	1	30.5596	38.2257	57.6877	CTL2	3579	3583	3584	3585	-0.18	
-3583	H10	SLES	1	30.1333	38.6677	56.7583	HAL2	3582	0	0	0	0.09	
-3584	H10	SLES	1	30.7385	39.053	58.4113	HAL2	3582	0	0	0	0.09	
-3585	C11	SLES	1	31.9129	37.5456	57.3506	CTL2	3582	3586	3587	3588	-0.18	
-3586	H11	SLES	1	31.7296	36.7234	56.6215	HAL2	3585	0	0	0	0.09	
-3587	H11	SLES	1	32.3264	37.0897	58.2792	HAL2	3585	0	0	0	0.09	
-3588	C12	SLES	1	32.9683	38.514	56.7566	CTL3	3585	3589	3590	3591	-0.27	
-3589	H12	SLES	1	33.2804	38.1724	55.7451	HAL3	3588	0	0	0	0.09	
-3590	H12	SLES	1	33.8675	38.554	57.4103	HAL3	3588	0	0	0	0.09	
-3591	H12	SLES	1	32.5474	39.5395	56.6701	HAL3	3588	0	0	0	0.09	
-3592	NA	SLES	1	21.6204	18.1296	65.2246	NA	0	0	0	0	1	
-3593	S	SLES	1	20.322	21.5312	65.5307	SL	3594	3595	3596	3597	1.33	
-3594	OS1	SLES	1	21.8342	21.1464	64.9205	OSL	3593	3598	0	0	-0.28	
-3595	OS2	SLES	1	19.3588	20.8293	64.7079	O2L	3593	0	0	0	-0.65	
-3596	OS3	SLES	1	20.2881	21.0101	66.8813	O2L	3593	0	0	0	-0.65	
-3597	OS4	SLES	1	20.0206	22.9537	65.5417	O2L	3593	0	0	0	-0.65	
-3598	C2	SLES	1	22.4754	22.3551	64.3303	CC32A	3594	3599	3600	3601	-0.11	
-3599	H2A	SLES	1	21.8088	22.8172	63.5498	HCA2	3598	0	0	0	0.09	
-3600	H2B	SLES	1	22.6488	23.1045	65.1516	HCA2	3598	0	0	0	0.09	
-3601	C1	SLES	1	23.8754	21.943	63.6696	CC32A	3598	3602	3603	3604	-0.01	
-3602	H1B	SLES	1	23.7166	21.1367	62.9171	HCA2	3601	0	0	0	0.09	
-3603	H1A	SLES	1	24.5706	21.5683	64.4566	HCA2	3601	0	0	0	0.09	
-3604	O1	SLES	1	24.6676	22.9424	62.9271	OC30A	3601	3605	0	0	-0.34	
-3605	C2	SLES	1	24.3473	24.3287	63.1683	CC32A	3604	3606	3607	3608	-0.01	
-3606	H2A	SLES	1	23.2898	24.3758	62.8421	HCA2	3605	0	0	0	0.09	
-3607	H2B	SLES	1	24.3831	24.3932	64.2792	HCA2	3605	0	0	0	0.09	
-3608	C1	SLES	1	25.1366	25.5243	62.548	CC32A	3605	3609	3610	3611	-0.01	
-3609	H1B	SLES	1	24.6737	25.8178	61.5807	HCA2	3608	0	0	0	0.09	
-3610	H1A	SLES	1	25.0931	26.3895	63.2395	HCA2	3608	0	0	0	0.09	
-3611	O1	SLES	1	26.5396	25.4355	62.1401	OC30A	3608	3612	0	0	-0.34	
-3612	C1	SLES	1	27.2973	26.6969	62.2347	CTL2	3611	3613	3614	3615	-0.18	
-3613	H11	SLES	1	26.5658	27.5029	62.4252	HAL2	3612	0	0	0	0.09	
-3614	H12	SLES	1	27.8878	26.5266	63.1585	HAL2	3612	0	0	0	0.09	
-3615	C2	SLES	1	28.2589	27.1216	61.0552	CTL2	3612	3616	3617	3618	-0.18	
-3616	H21	SLES	1	28.1931	26.3657	60.241	HAL2	3615	0	0	0	0.09	
-3617	H22	SLES	1	29.3062	27.1322	61.4288	HAL2	3615	0	0	0	0.09	
-3618	C3	SLES	1	27.8982	28.568	60.4581	CTL2	3615	3619	3620	3621	-0.18	
-3619	H31	SLES	1	27.3722	28.4366	59.4862	HAL2	3618	0	0	0	0.09	
-3620	H32	SLES	1	27.2051	29.0831	61.1527	HAL2	3618	0	0	0	0.09	
-3621	C4	SLES	1	29.1739	29.4812	60.2329	CTL2	3618	3622	3623	3624	-0.18	
-3622	H41	SLES	1	29.4307	29.4804	59.153	HAL2	3621	0	0	0	0.09	
-3623	H42	SLES	1	30.0338	29.0507	60.7897	HAL2	3621	0	0	0	0.09	
-3624	C5	SLES	1	28.9455	30.985	60.7141	CTL2	3621	3625	3626	3627	-0.18	
-3625	H51	SLES	1	27.8533	31.1749	60.8059	HAL2	3624	0	0	0	0.09	
-3626	H52	SLES	1	29.4016	31.1164	61.722	HAL2	3624	0	0	0	0.09	
-3627	C6	SLES	1	29.5663	32.0457	59.7288	CTL2	3624	3628	3629	3630	-0.18	
-3628	H61	SLES	1	28.9512	32.0833	58.8018	HAL2	3627	0	0	0	0.09	
-3629	H62	SLES	1	29.5264	33.0518	60.2079	HAL2	3627	0	0	0	0.09	
-3630	C7	SLES	1	31.0454	31.7234	59.3459	CTL2	3627	3631	3632	3633	-0.18	
-3631	H71	SLES	1	31.0526	30.9569	58.5395	HAL2	3630	0	0	0	0.09	
-3632	H72	SLES	1	31.5656	31.2952	60.2315	HAL2	3630	0	0	0	0.09	
-3633	C8	SLES	1	31.8217	32.9726	58.8596	CTL2	3630	3634	3635	3636	-0.18	
-3634	H81	SLES	1	31.193	33.5301	58.128	HAL2	3633	0	0	0	0.09	
-3635	H82	SLES	1	32.0143	33.6423	59.7285	HAL2	3633	0	0	0	0.09	
-3636	C9	SLES	1	33.1716	32.6078	58.1925	CTL2	3633	3637	3638	3639	-0.18	
-3637	H91	SLES	1	32.9806	31.9145	57.342	HAL2	3636	0	0	0	0.09	
-3638	H92	SLES	1	33.8101	32.0753	58.9329	HAL2	3636	0	0	0	0.09	
-3639	C10	SLES	1	33.9328	33.8491	57.6698	CTL2	3636	3640	3641	3642	-0.18	
-3640	H10	SLES	1	33.3037	34.3689	56.9117	HAL2	3639	0	0	0	0.09	
-3641	H10	SLES	1	34.1046	34.5529	58.5154	HAL2	3639	0	0	0	0.09	
-3642	C11	SLES	1	35.2982	33.4829	57.0299	CTL2	3639	3643	3644	3645	-0.18	
-3643	H11	SLES	1	35.1205	32.7842	56.1805	HAL2	3642	0	0	0	0.09	
-3644	H11	SLES	1	35.9167	32.9475	57.7861	HAL2	3642	0	0	0	0.09	
-3645	C12	SLES	1	36.0938	34.7084	56.5107	CTL3	3642	3646	3647	3648	-0.27	
-3646	H12	SLES	1	36.2854	34.6108	55.4193	HAL3	3645	0	0	0	0.09	
-3647	H12	SLES	1	37.071	34.7858	57.0365	HAL3	3645	0	0	0	0.09	
-3648	H12	SLES	1	35.5212	35.6449	56.6876	HAL3	3645	0	0	0	0.09	
-3649	NA	SLES	1	30.1748	12.0456	64.6498	NA	0	0	0	0	1	
-3650	S	SLES	1	28.4883	15.1038	65.7237	SL	3651	3652	3653	3654	1.33	
-3651	OS1	SLES	1	29.8863	15.0677	64.8009	OSL	3650	3655	0	0	-0.28	
-3652	OS2	SLES	1	27.4907	14.3596	64.9832	O2L	3650	0	0	0	-0.65	
-3653	OS3	SLES	1	28.8021	14.4136	66.9573	O2L	3650	0	0	0	-0.65	
-3654	OS4	SLES	1	27.9936	16.4396	66.0163	O2L	3650	0	0	0	-0.65	
-3655	C2	SLES	1	30.2148	16.4351	64.3081	CC32A	3651	3656	3657	3658	-0.11	
-3656	H2A	SLES	1	29.3454	16.873	63.7428	HCA2	3655	0	0	0	0.09	
-3657	H2B	SLES	1	30.4399	17.0899	65.195	HCA2	3655	0	0	0	0.09	
-3658	C1	SLES	1	31.4978	16.3595	63.3518	CC32A	3655	3659	3660	3661	-0.01	
-3659	H1B	SLES	1	31.3087	15.6427	62.5199	HCA2	3658	0	0	0	0.09	
-3660	H1A	SLES	1	32.3836	16.011	63.9323	HCA2	3658	0	0	0	0.09	
-3661	O1	SLES	1	31.9721	17.5683	62.6506	OC30A	3658	3662	0	0	-0.34	
-3662	C2	SLES	1	31.5106	18.8355	63.1643	CC32A	3661	3663	3664	3665	-0.01	
-3663	H2A	SLES	1	30.4136	18.7418	63.0429	HCA2	3662	0	0	0	0.09	
-3664	H2B	SLES	1	31.7594	18.7602	64.2468	HCA2	3662	0	0	0	0.09	
-3665	C1	SLES	1	31.9784	20.2194	62.6138	CC32A	3662	3666	3667	3668	-0.01	
-3666	H1B	SLES	1	31.2931	20.5521	61.804	HCA2	3665	0	0	0	0.09	
-3667	H1A	SLES	1	31.9507	20.9669	63.4318	HCA2	3665	0	0	0	0.09	
-3668	O1	SLES	1	33.2687	20.4272	61.9543	OC30A	3665	3669	0	0	-0.34	
-3669	C1	SLES	1	33.8401	21.777	62.1142	CTL2	3668	3670	3671	3672	-0.18	
-3670	H11	SLES	1	33.0535	22.4134	62.5585	HAL2	3669	0	0	0	0.09	
-3671	H12	SLES	1	34.6226	21.5923	62.8789	HAL2	3669	0	0	0	0.09	
-3672	C2	SLES	1	34.4735	22.5107	60.8664	CTL2	3669	3673	3674	3675	-0.18	
-3673	H21	SLES	1	34.3549	21.8671	59.9661	HAL2	3672	0	0	0	0.09	
-3674	H22	SLES	1	35.5619	22.6527	61.0448	HAL2	3672	0	0	0	0.09	
-3675	C3	SLES	1	33.7956	23.9385	60.5829	CTL2	3672	3676	3677	3678	-0.18	
-3676	H31	SLES	1	33.1095	23.846	59.7117	HAL2	3675	0	0	0	0.09	
-3677	H32	SLES	1	33.1895	24.2319	61.4631	HAL2	3675	0	0	0	0.09	
-3678	C4	SLES	1	34.8548	25.0791	60.2844	CTL2	3675	3679	3680	3681	-0.18	
-3679	H41	SLES	1	34.8867	25.2628	59.1901	HAL2	3678	0	0	0	0.09	
-3680	H42	SLES	1	35.862	24.7344	60.6031	HAL2	3678	0	0	0	0.09	
-3681	C5	SLES	1	34.5137	26.4456	61.0336	CTL2	3678	3682	3683	3684	-0.18	
-3682	H51	SLES	1	33.4465	26.4311	61.3472	HAL2	3681	0	0	0	0.09	
-3683	H52	SLES	1	35.1393	26.5214	61.9522	HAL2	3681	0	0	0	0.09	
-3684	C6	SLES	1	34.7643	27.7163	60.1369	CTL2	3681	3685	3686	3687	-0.18	
-3685	H61	SLES	1	33.9765	27.7676	59.3522	HAL2	3684	0	0	0	0.09	
-3686	H62	SLES	1	34.6771	28.6295	60.7708	HAL2	3684	0	0	0	0.09	
-3687	C7	SLES	1	36.1669	27.706	59.4508	CTL2	3684	3688	3689	3690	-0.18	
-3688	H71	SLES	1	36.1222	27.0636	58.5435	HAL2	3687	0	0	0	0.09	
-3689	H72	SLES	1	36.9107	27.2622	60.1495	HAL2	3687	0	0	0	0.09	
-3690	C8	SLES	1	36.6413	29.1226	59.0413	CTL2	3687	3691	3692	3693	-0.18	
-3691	H81	SLES	1	35.8048	29.6538	58.5321	HAL2	3690	0	0	0	0.09	
-3692	H82	SLES	1	36.9062	29.6967	59.9582	HAL2	3690	0	0	0	0.09	
-3693	C9	SLES	1	37.8677	29.0855	58.0953	CTL2	3690	3694	3695	3696	-0.18	
-3694	H91	SLES	1	37.6116	28.4862	57.1922	HAL2	3693	0	0	0	0.09	
-3695	H92	SLES	1	38.7119	28.5792	58.6153	HAL2	3693	0	0	0	0.09	
-3696	C10	SLES	1	38.3214	30.4965	57.652	CTL2	3693	3697	3698	3699	-0.18	
-3697	H10	SLES	1	37.4845	30.9944	57.1111	HAL2	3696	0	0	0	0.09	
-3698	H10	SLES	1	38.5565	31.1035	58.5555	HAL2	3696	0	0	0	0.09	
-3699	C11	SLES	1	39.5684	30.4572	56.7293	CTL2	3696	3700	3701	3702	-0.18	
-3700	H11	SLES	1	39.3261	29.8548	55.8241	HAL2	3699	0	0	0	0.09	
-3701	H11	SLES	1	40.3969	29.9425	57.2677	HAL2	3699	0	0	0	0.09	
-3702	C12	SLES	1	40.0584	31.8583	56.2807	CTL3	3699	3703	3704	3705	-0.27	
-3703	H12	SLES	1	40.0387	31.9378	55.1714	HAL3	3702	0	0	0	0.09	
-3704	H12	SLES	1	41.0999	32.0337	56.6301	HAL3	3702	0	0	0	0.09	
-3705	H12	SLES	1	39.4043	32.6512	56.7045	HAL3	3702	0	0	0	0.09	
-3706	NA	SLES	1	39.9064	8.37143	64.1522	NA	0	0	0	0	1	
-3707	S	SLES	1	38.076	11.0147	65.888	SL	3708	3709	3710	3711	1.33	
-3708	OS1	SLES	1	39.2164	11.2824	64.6902	OSL	3707	3712	0	0	-0.28	
-3709	OS2	SLES	1	37.0571	10.1696	65.3004	O2L	3707	0	0	0	-0.65	
-3710	OS3	SLES	1	38.761	10.2983	66.9436	O2L	3707	0	0	0	-0.65	
-3711	OS4	SLES	1	37.4691	12.2229	66.4233	O2L	3707	0	0	0	-0.65	
-3712	C2	SLES	1	39.2182	12.718	64.2909	CC32A	3708	3713	3714	3715	-0.11	
-3713	H2A	SLES	1	38.188	13.0437	63.9752	HCA2	3712	0	0	0	0.09	
-3714	H2B	SLES	1	39.5402	13.3344	65.1755	HCA2	3712	0	0	0	0.09	
-3715	C1	SLES	1	40.2463	12.9301	63.0807	CC32A	3712	3716	3717	3718	-0.01	
-3716	H1B	SLES	1	39.9807	12.2548	62.2351	HCA2	3715	0	0	0	0.09	
-3717	H1A	SLES	1	41.2826	12.694	63.4175	HCA2	3715	0	0	0	0.09	
-3718	O1	SLES	1	40.3643	14.2497	62.4308	OC30A	3715	3719	0	0	-0.34	
-3719	C2	SLES	1	39.8499	15.3798	63.1662	CC32A	3718	3720	3721	3722	-0.01	
-3720	H2A	SLES	1	38.7804	15.112	63.2719	HCA2	3719	0	0	0	0.09	
-3721	H2B	SLES	1	40.3471	15.2682	64.156	HCA2	3719	0	0	0	0.09	
-3722	C1	SLES	1	39.9702	16.8595	62.683	CC32A	3719	3723	3724	3725	-0.01	
-3723	H1B	SLES	1	39.077	17.1307	62.0792	HCA2	3722	0	0	0	0.09	
-3724	H1A	SLES	1	40.0194	17.5294	63.5648	HCA2	3722	0	0	0	0.09	
-3725	O1	SLES	1	41.0309	17.3295	61.7905	OC30A	3722	3726	0	0	-0.34	
-3726	C1	SLES	1	41.4178	18.7408	61.9712	CTL2	3725	3727	3728	3729	-0.18	
-3727	H11	SLES	1	40.6679	19.2012	62.6396	HAL2	3726	0	0	0	0.09	
-3728	H12	SLES	1	42.3724	18.6347	62.5267	HAL2	3726	0	0	0	0.09	
-3729	C2	SLES	1	41.6346	19.6603	60.7048	CTL2	3726	3730	3731	3732	-0.18	
-3730	H21	SLES	1	41.4105	19.0739	59.7858	HAL2	3729	0	0	0	0.09	
-3731	H22	SLES	1	42.7018	19.9701	60.6616	HAL2	3729	0	0	0	0.09	
-3732	C3	SLES	1	40.7066	20.9705	60.7298	CTL2	3729	3733	3734	3735	-0.18	
-3733	H31	SLES	1	39.8614	20.8282	60.02	HAL2	3732	0	0	0	0.09	
-3734	H32	SLES	1	40.2805	21.0921	61.7456	HAL2	3732	0	0	0	0.09	
-3735	C4	SLES	1	41.4893	22.292	60.3387	CTL2	3732	3736	3737	3738	-0.18	
-3736	H41	SLES	1	41.2435	22.5585	59.2895	HAL2	3735	0	0	0	0.09	
-3737	H42	SLES	1	42.5823	22.0993	60.3959	HAL2	3735	0	0	0	0.09	
-3738	C5	SLES	1	41.1298	23.5228	61.2879	CTL2	3735	3739	3740	3741	-0.18	
-3739	H51	SLES	1	40.1763	23.3058	61.8182	HAL2	3738	0	0	0	0.09	
-3740	H52	SLES	1	41.93	23.635	62.0548	HAL2	3738	0	0	0	0.09	
-3741	C6	SLES	1	40.9789	24.8799	60.5026	CTL2	3738	3742	3743	3744	-0.18	
-3742	H61	SLES	1	40.0343	24.8554	59.9142	HAL2	3741	0	0	0	0.09	
-3743	H62	SLES	1	40.9043	25.7163	61.2363	HAL2	3741	0	0	0	0.09	
-3744	C7	SLES	1	42.1739	25.1564	59.5364	CTL2	3741	3745	3746	3747	-0.18	
-3745	H71	SLES	1	42.0191	24.5841	58.5949	HAL2	3744	0	0	0	0.09	
-3746	H72	SLES	1	43.1145	24.7941	60.0078	HAL2	3744	0	0	0	0.09	
-3747	C8	SLES	1	42.3278	26.6588	59.1923	CTL2	3744	3748	3749	3750	-0.18	
-3748	H81	SLES	1	41.3282	27.0777	58.9342	HAL2	3747	0	0	0	0.09	
-3749	H82	SLES	1	42.7068	27.2005	60.0888	HAL2	3747	0	0	0	0.09	
-3750	C9	SLES	1	43.298	26.8984	58.0084	CTL2	3747	3751	3752	3753	-0.18	
-3751	H91	SLES	1	42.9343	26.3326	57.1207	HAL2	3750	0	0	0	0.09	
-3752	H92	SLES	1	44.3038	26.5047	58.2781	HAL2	3750	0	0	0	0.09	
-3753	C10	SLES	1	43.4251	28.3945	57.6353	CTL2	3750	3754	3755	3756	-0.18	
-3754	H10	SLES	1	42.4228	28.7827	57.3428	HAL2	3753	0	0	0	0.09	
-3755	H10	SLES	1	43.7675	28.9642	58.5287	HAL2	3753	0	0	0	0.09	
-3756	C11	SLES	1	44.4208	28.6336	56.4695	CTL2	3753	3757	3758	3759	-0.18	
-3757	H11	SLES	1	44.0704	28.0672	55.5764	HAL2	3756	0	0	0	0.09	
-3758	H11	SLES	1	45.4169	28.2276	56.7595	HAL2	3756	0	0	0	0.09	
-3759	C12	SLES	1	44.5831	30.1263	56.0824	CTL3	3756	3760	3761	3762	-0.27	
-3760	H12	SLES	1	44.2996	30.2827	55.0182	HAL3	3759	0	0	0	0.09	
-3761	H12	SLES	1	45.6391	30.4485	56.2188	HAL3	3759	0	0	0	0.09	
-3762	H12	SLES	1	43.9329	30.7644	56.7197	HAL3	3759	0	0	0	0.09	
-3763	NA	SLES	1	50.1713	7.27822	63.7658	NA	0	0	0	0	1	
-3764	S	SLES	1	48.4237	9.56921	66.0125	SL	3765	3766	3767	3768	1.33	
-3765	OS1	SLES	1	49.1892	10.0325	64.5959	OSL	3764	3769	0	0	-0.28	
-3766	OS2	SLES	1	47.4369	8.57754	65.6379	O2L	3764	0	0	0	-0.65	
-3767	OS3	SLES	1	49.4434	8.96054	66.841	O2L	3764	0	0	0	-0.65	
-3768	OS4	SLES	1	47.7834	10.6567	66.7349	O2L	3764	0	0	0	-0.65	
-3769	C2	SLES	1	48.8739	11.4541	64.28	CC32A	3765	3770	3771	3772	-0.11	
-3770	H2A	SLES	1	47.7605	11.6125	64.231	HCA2	3769	0	0	0	0.09	
-3771	H2B	SLES	1	49.299	12.1038	65.0945	HCA2	3769	0	0	0	0.09	
-3772	C1	SLES	1	49.5374	11.8443	62.875	CC32A	3769	3773	3774	3775	-0.01	
-3773	H1B	SLES	1	49.1848	11.1452	62.0822	HCA2	3772	0	0	0	0.09	
-3774	H1A	SLES	1	50.6478	11.7751	62.9476	HCA2	3772	0	0	0	0.09	
-3775	O1	SLES	1	49.2915	13.1734	62.2827	OC30A	3772	3776	0	0	-0.34	
-3776	C2	SLES	1	48.7997	14.1964	63.1739	CC32A	3775	3777	3778	3779	-0.01	
-3777	H2A	SLES	1	47.8411	13.7577	63.5134	HCA2	3776	0	0	0	0.09	
-3778	H2B	SLES	1	49.5303	14.1548	64.0129	HCA2	3776	0	0	0	0.09	
-3779	C1	SLES	1	48.5712	15.6818	62.751	CC32A	3776	3780	3781	3782	-0.01	
-3780	H1B	SLES	1	47.5286	15.812	62.3874	HCA2	3779	0	0	0	0.09	
-3781	H1A	SLES	1	48.7258	16.3401	63.6292	HCA2	3779	0	0	0	0.09	
-3782	O1	SLES	1	49.3021	16.328	61.6597	OC30A	3779	3783	0	0	-0.34	
-3783	C1	SLES	1	49.4984	17.781	61.8155	CTL2	3782	3784	3785	3786	-0.18	
-3784	H11	SLES	1	48.8683	18.1059	62.6632	HAL2	3783	0	0	0	0.09	
-3785	H12	SLES	1	50.5627	17.8242	62.1261	HAL2	3783	0	0	0	0.09	
-3786	C2	SLES	1	49.2615	18.7387	60.5814	CTL2	3783	3787	3788	3789	-0.18	
-3787	H21	SLES	1	48.9174	18.1348	59.7121	HAL2	3786	0	0	0	0.09	
-3788	H22	SLES	1	50.2264	19.2176	60.3052	HAL2	3786	0	0	0	0.09	
-3789	C3	SLES	1	48.1756	19.881	60.8887	CTL2	3786	3790	3791	3792	-0.18	
-3790	H31	SLES	1	47.2177	19.6123	60.3903	HAL2	3789	0	0	0	0.09	
-3791	H32	SLES	1	47.9913	19.9198	61.9809	HAL2	3789	0	0	0	0.09	
-3792	C4	SLES	1	48.6286	21.3164	60.3922	CTL2	3789	3793	3794	3795	-0.18	
-3793	H41	SLES	1	48.1009	21.5521	59.4445	HAL2	3792	0	0	0	0.09	
-3794	H42	SLES	1	49.7197	21.3024	60.1822	HAL2	3792	0	0	0	0.09	
-3795	C5	SLES	1	48.3209	22.4612	61.4598	CTL2	3792	3796	3797	3798	-0.18	
-3796	H51	SLES	1	47.5672	22.0864	62.187	HAL2	3795	0	0	0	0.09	
-3797	H52	SLES	1	49.254	22.6922	62.0227	HAL2	3795	0	0	0	0.09	
-3798	C6	SLES	1	47.779	23.7853	60.8009	CTL2	3795	3799	3800	3801	-0.18	
-3799	H61	SLES	1	46.7366	23.6154	60.4495	HAL2	3798	0	0	0	0.09	
-3800	H62	SLES	1	47.7539	24.5898	61.5727	HAL2	3798	0	0	0	0.09	
-3801	C7	SLES	1	48.6509	24.2633	59.5969	CTL2	3798	3802	3803	3804	-0.18	
-3802	H71	SLES	1	48.3657	23.6848	58.6903	HAL2	3801	0	0	0	0.09	
-3803	H72	SLES	1	49.7213	24.0523	59.8163	HAL2	3801	0	0	0	0.09	
-3804	C8	SLES	1	48.4843	25.7748	59.3023	CTL2	3801	3805	3806	3807	-0.18	
-3805	H81	SLES	1	47.3996	26.0294	59.3068	HAL2	3804	0	0	0	0.09	
-3806	H82	SLES	1	48.9784	26.3598	60.1112	HAL2	3804	0	0	0	0.09	
-3807	C9	SLES	1	49.0943	26.1826	57.9378	CTL2	3804	3808	3809	3810	-0.18	
-3808	H91	SLES	1	48.6207	25.576	57.1326	HAL2	3807	0	0	0	0.09	
-3809	H92	SLES	1	50.1838	25.9536	57.9444	HAL2	3807	0	0	0	0.09	
-3810	C10	SLES	1	48.896	27.6838	57.6209	CTL2	3807	3811	3812	3813	-0.18	
-3811	H10	SLES	1	47.8054	27.9082	57.5911	HAL2	3810	0	0	0	0.09	
-3812	H10	SLES	1	49.35	28.2906	58.4368	HAL2	3810	0	0	0	0.09	
-3813	C11	SLES	1	49.5349	28.095	56.2679	CTL2	3810	3814	3815	3816	-0.18	
-3814	H11	SLES	1	49.0729	27.4901	55.4544	HAL2	3813	0	0	0	0.09	
-3815	H11	SLES	1	50.6218	27.8521	56.2959	HAL2	3813	0	0	0	0.09	
-3816	C12	SLES	1	49.3675	29.5988	55.9291	CTL3	3813	3817	3818	3819	-0.27	
-3817	H12	SLES	1	48.8172	29.7201	54.9701	HAL3	3816	0	0	0	0.09	
-3818	H12	SLES	1	50.3628	30.086	55.8306	HAL3	3816	0	0	0	0.09	
-3819	H12	SLES	1	48.7982	30.1156	56.7322	HAL3	3816	0	0	0	0.09	
-3820	NA	SLES	1	60.3263	8.78144	63.5169	NA	0	0	0	0	1	
-3821	S	SLES	1	58.8061	10.8853	66.0885	SL	3822	3823	3824	3825	1.33	
-3822	OS1	SLES	1	59.1334	11.3893	64.5246	OSL	3821	3826	0	0	-0.28	
-3823	OS2	SLES	1	57.933	9.73562	65.9728	O2L	3821	0	0	0	-0.65	
-3824	OS3	SLES	1	60.0761	10.4836	66.6564	O2L	3821	0	0	0	-0.65	
-3825	OS4	SLES	1	58.1854	11.8958	66.93	O2L	3821	0	0	0	-0.65	
-3826	C2	SLES	1	58.5271	12.7276	64.2761	CC32A	3822	3827	3828	3829	-0.11	
-3827	H2A	SLES	1	57.4226	12.7096	64.4928	HCA2	3826	0	0	0	0.09	
-3828	H2B	SLES	1	59.0201	13.4752	64.9574	HCA2	3826	0	0	0	0.09	
-3829	C1	SLES	1	58.7711	13.1444	62.7486	CC32A	3826	3830	3831	3832	-0.01	
-3830	H1B	SLES	1	58.3607	12.3604	62.0716	HCA2	3829	0	0	0	0.09	
-3831	H1A	SLES	1	59.8638	13.2511	62.5544	HCA2	3829	0	0	0	0.09	
-3832	O1	SLES	1	58.1816	14.3882	62.2163	OC30A	3829	3833	0	0	-0.34	
-3833	C2	SLES	1	57.7532	15.3665	63.1869	CC32A	3832	3834	3835	3836	-0.01	
-3834	H2A	SLES	1	56.9846	14.8028	63.751	HCA2	3833	0	0	0	0.09	
-3835	H2B	SLES	1	58.6567	15.4803	63.8272	HCA2	3833	0	0	0	0.09	
-3836	C1	SLES	1	57.1947	16.7756	62.813	CC32A	3833	3837	3838	3839	-0.01	
-3837	H1B	SLES	1	56.089	16.725	62.7077	HCA2	3836	0	0	0	0.09	
-3838	H1A	SLES	1	57.4419	17.4933	63.6208	HCA2	3836	0	0	0	0.09	
-3839	O1	SLES	1	57.5353	17.4712	61.5709	OC30A	3836	3840	0	0	-0.34	
-3840	C1	SLES	1	57.5247	18.9431	61.6577	CTL2	3839	3841	3842	3843	-0.18	
-3841	H11	SLES	1	57.0666	19.209	62.6275	HAL2	3840	0	0	0	0.09	
-3842	H12	SLES	1	58.6108	19.1656	61.7043	HAL2	3840	0	0	0	0.09	
-3843	C2	SLES	1	56.8538	19.7895	60.5046	CTL2	3840	3844	3845	3846	-0.18	
-3844	H21	SLES	1	56.4181	19.0969	59.7502	HAL2	3843	0	0	0	0.09	
-3845	H22	SLES	1	57.6366	20.3971	59.9999	HAL2	3843	0	0	0	0.09	
-3846	C3	SLES	1	55.6999	20.7646	61.0489	CTL2	3843	3847	3848	3849	-0.18	
-3847	H31	SLES	1	54.7083	20.3265	60.7973	HAL2	3846	0	0	0	0.09	
-3848	H32	SLES	1	55.7725	20.8293	62.1529	HAL2	3846	0	0	0	0.09	
-3849	C4	SLES	1	55.7855	22.2259	60.4412	CTL2	3846	3850	3851	3852	-0.18	
-3850	H41	SLES	1	55.0197	22.3294	59.6444	HAL2	3849	0	0	0	0.09	
-3851	H42	SLES	1	56.7846	22.37	59.9766	HAL2	3849	0	0	0	0.09	
-3852	C5	SLES	1	55.5552	23.3616	61.5376	CTL2	3849	3853	3854	3855	-0.18	
-3853	H51	SLES	1	55.0635	22.912	62.4284	HAL2	3852	0	0	0	0.09	
-3854	H52	SLES	1	56.5441	23.7619	61.8582	HAL2	3852	0	0	0	0.09	
-3855	C6	SLES	1	54.6671	24.5515	61.0114	CTL2	3852	3856	3857	3858	-0.18	
-3856	H61	SLES	1	53.613	24.2053	60.9215	HAL2	3855	0	0	0	0.09	
-3857	H62	SLES	1	54.6935	25.3802	61.7571	HAL2	3855	0	0	0	0.09	
-3858	C7	SLES	1	55.1438	25.0971	59.6282	CTL2	3855	3859	3860	3861	-0.18	
-3859	H71	SLES	1	54.7518	24.4368	58.8232	HAL2	3858	0	0	0	0.09	
-3860	H72	SLES	1	56.2554	25.0652	59.5878	HAL2	3858	0	0	0	0.09	
-3861	C8	SLES	1	54.6705	26.5482	59.3639	CTL2	3858	3862	3863	3864	-0.18	
-3862	H81	SLES	1	53.5905	26.6322	59.6244	HAL2	3861	0	0	0	0.09	
-3863	H82	SLES	1	55.2388	27.2423	60.024	HAL2	3861	0	0	0	0.09	
-3864	C9	SLES	1	54.8699	26.976	57.8882	CTL2	3861	3865	3866	3867	-0.18	
-3865	H91	SLES	1	54.3255	26.264	57.227	HAL2	3864	0	0	0	0.09	
-3866	H92	SLES	1	55.9529	26.9186	57.6369	HAL2	3864	0	0	0	0.09	
-3867	C10	SLES	1	54.3626	28.4108	57.6099	CTL2	3864	3868	3869	3870	-0.18	
-3868	H10	SLES	1	53.2737	28.4624	57.839	HAL2	3867	0	0	0	0.09	
-3869	H10	SLES	1	54.8905	29.1207	58.2862	HAL2	3867	0	0	0	0.09	
-3870	C11	SLES	1	54.5918	28.8472	56.1385	CTL2	3867	3871	3872	3873	-0.18	
-3871	H11	SLES	1	54.0563	28.1382	55.4664	HAL2	3870	0	0	0	0.09	
-3872	H11	SLES	1	55.6796	28.7766	55.9087	HAL2	3870	0	0	0	0.09	
-3873	C12	SLES	1	54.1086	30.2883	55.8315	CTL3	3870	3874	3875	3876	-0.27	
-3874	H12	SLES	1	53.3369	30.2748	55.0305	HAL3	3873	0	0	0	0.09	
-3875	H12	SLES	1	54.9608	30.9176	55.492	HAL3	3873	0	0	0	0.09	
-3876	H12	SLES	1	53.6672	30.7506	56.7411	HAL3	3873	0	0	0	0.09	
-3877	NA	SLES	1	69.7578	12.7558	63.4225	NA	0	0	0	0	1	
-3878	S	SLES	1	68.4885	14.8797	66.1111	SL	3879	3880	3881	3882	1.33	
-3879	OS1	SLES	1	68.3853	15.2529	64.4809	OSL	3878	3883	0	0	-0.28	
-3880	OS2	SLES	1	67.8171	13.6079	66.2822	O2L	3878	0	0	0	-0.65	
-3881	OS3	SLES	1	69.8994	14.7346	66.4026	O2L	3878	0	0	0	-0.65	
-3882	OS4	SLES	1	67.9003	15.8731	66.9952	O2L	3878	0	0	0	-0.65	
-3883	C2	SLES	1	67.5235	16.4517	64.2795	CC32A	3879	3884	3885	3886	-0.11	
-3884	H2A	SLES	1	66.5098	16.2944	64.7428	HCA2	3883	0	0	0	0.09	
-3885	H2B	SLES	1	68.0173	17.3337	64.7736	HCA2	3883	0	0	0	0.09	
-3886	C1	SLES	1	67.3626	16.7307	62.7102	CC32A	3883	3887	3888	3889	-0.01	
-3887	H1B	SLES	1	66.9554	15.8255	62.204	HCA2	3886	0	0	0	0.09	
-3888	H1A	SLES	1	68.3549	16.9759	62.2648	HCA2	3886	0	0	0	0.09	
-3889	O1	SLES	1	66.4724	17.8081	62.2362	OC30A	3886	3890	0	0	-0.34	
-3890	C2	SLES	1	66.1023	18.8124	63.2042	CC32A	3889	3891	3892	3893	-0.01	
-3891	H2A	SLES	1	65.5777	18.2062	63.9685	HCA2	3890	0	0	0	0.09	
-3892	H2B	SLES	1	67.0891	19.1277	63.6117	HCA2	3890	0	0	0	0.09	
-3893	C1	SLES	1	65.2478	20.0741	62.8649	CC32A	3890	3894	3895	3896	-0.01	
-3894	H1B	SLES	1	64.1698	19.8495	63.0183	HCA2	3893	0	0	0	0.09	
-3895	H1A	SLES	1	65.5371	20.9043	63.54	HCA2	3893	0	0	0	0.09	
-3896	O1	SLES	1	65.1938	20.6727	61.5301	OC30A	3893	3897	0	0	-0.34	
-3897	C1	SLES	1	64.9543	22.1274	61.5086	CTL2	3896	3898	3899	3900	-0.18	
-3898	H11	SLES	1	64.6753	22.427	62.535	HAL2	3897	0	0	0	0.09	
-3899	H12	SLES	1	65.972	22.5117	61.29	HAL2	3897	0	0	0	0.09	
-3900	C2	SLES	1	63.9203	22.7344	60.4797	CTL2	3897	3901	3902	3903	-0.18	
-3901	H21	SLES	1	63.4569	21.9069	59.8974	HAL2	3900	0	0	0	0.09	
-3902	H22	SLES	1	64.4639	23.3923	59.7667	HAL2	3900	0	0	0	0.09	
-3903	C3	SLES	1	62.7616	23.5817	61.1994	CTL2	3900	3904	3905	3906	-0.18	
-3904	H31	SLES	1	61.8275	22.9771	61.2132	HAL2	3903	0	0	0	0.09	
-3905	H32	SLES	1	63.0559	23.7765	62.25	HAL2	3903	0	0	0	0.09	
-3906	C4	SLES	1	62.4685	24.9645	60.4824	CTL2	3903	3907	3908	3909	-0.18	
-3907	H41	SLES	1	61.5442	24.8662	59.8756	HAL2	3906	0	0	0	0.09	
-3908	H42	SLES	1	63.3068	25.2031	59.793	HAL2	3906	0	0	0	0.09	
-3909	C5	SLES	1	62.2892	26.1665	61.5159	CTL2	3906	3910	3911	3912	-0.18	
-3910	H51	SLES	1	62.0816	25.7491	62.5258	HAL2	3909	0	0	0	0.09	
-3911	H52	SLES	1	63.2419	26.7412	61.5724	HAL2	3909	0	0	0	0.09	
-3912	C6	SLES	1	61.1221	27.1475	61.1199	CTL2	3909	3913	3914	3915	-0.18	
-3913	H61	SLES	1	60.1467	26.6415	61.2982	HAL2	3912	0	0	0	0.09	
-3914	H62	SLES	1	61.1669	28.0473	61.7769	HAL2	3912	0	0	0	0.09	
-3915	C7	SLES	1	61.1942	27.6033	59.6282	CTL2	3912	3916	3917	3918	-0.18	
-3916	H71	SLES	1	60.7565	26.8084	58.9844	HAL2	3915	0	0	0	0.09	
-3917	H72	SLES	1	62.2608	27.7318	59.338	HAL2	3915	0	0	0	0.09	
-3918	C8	SLES	1	60.438	28.9308	59.3727	CTL2	3915	3919	3920	3921	-0.18	
-3919	H81	SLES	1	59.44	28.8822	59.8656	HAL2	3918	0	0	0	0.09	
-3920	H82	SLES	1	61.0088	29.7692	59.8331	HAL2	3918	0	0	0	0.09	
-3921	C9	SLES	1	60.2434	29.2199	57.863	CTL2	3918	3922	3923	3924	-0.18	
-3922	H91	SLES	1	59.6985	28.3674	57.3975	HAL2	3921	0	0	0	0.09	
-3923	H92	SLES	1	61.2418	29.296	57.3765	HAL2	3921	0	0	0	0.09	
-3924	C10	SLES	1	59.4543	30.5249	57.6029	CTL2	3921	3925	3926	3927	-0.18	
-3925	H10	SLES	1	58.4465	30.4397	58.0697	HAL2	3924	0	0	0	0.09	
-3926	H10	SLES	1	59.987	31.3745	58.087	HAL2	3924	0	0	0	0.09	
-3927	C11	SLES	1	59.2878	30.8271	56.09	CTL2	3924	3928	3929	3930	-0.18	
-3928	H11	SLES	1	58.7486	29.9777	55.6116	HAL2	3927	0	0	0	0.09	
-3929	H11	SLES	1	60.2976	30.8935	55.6243	HAL2	3927	0	0	0	0.09	
-3930	C12	SLES	1	58.5147	32.1387	55.7961	CTL3	3927	3931	3932	3933	-0.27	
-3931	H12	SLES	1	57.6036	31.924	55.1952	HAL3	3930	0	0	0	0.09	
-3932	H12	SLES	1	59.1565	32.8462	55.226	HAL3	3930	0	0	0	0.09	
-3933	H12	SLES	1	58.2059	32.6272	56.7458	HAL3	3930	0	0	0	0.09	
-3934	NA	SLES	1	77.9022	18.9496	63.489	NA	0	0	0	0	1	
-3935	S	SLES	1	76.7842	21.2724	66.0785	SL	3936	3937	3938	3939	1.33	
-3936	OS1	SLES	1	76.3305	21.3602	64.468	OSL	3935	3940	0	0	-0.28	
-3937	OS2	SLES	1	76.383	19.9613	66.5449	O2L	3935	0	0	0	-0.65	
-3938	OS3	SLES	1	78.228	21.3808	66.0968	O2L	3935	0	0	0	-0.65	
-3939	OS4	SLES	1	76.2003	22.2997	66.926	O2L	3935	0	0	0	-0.65	
-3940	C2	SLES	1	75.2533	22.3743	64.2898	CC32A	3936	3941	3942	3943	-0.11	
-3941	H2A	SLES	1	74.3805	22.1491	64.964	HCA2	3940	0	0	0	0.09	
-3942	H2B	SLES	1	75.6677	23.3861	64.5557	HCA2	3940	0	0	0	0.09	
-3943	C1	SLES	1	74.7707	22.3717	62.7623	CC32A	3940	3944	3945	3946	-0.01	
-3944	H1B	SLES	1	74.4421	21.3478	62.4704	HCA2	3943	0	0	0	0.09	
-3945	H1A	SLES	1	75.6108	22.6825	62.0984	HCA2	3943	0	0	0	0.09	
-3946	O1	SLES	1	73.6385	23.2193	62.341	OC30A	3943	3947	0	0	-0.34	
-3947	C2	SLES	1	73.2789	24.302	63.2247	CC32A	3946	3948	3949	3950	-0.01	
-3948	H2A	SLES	1	73.0108	23.7573	64.1511	HCA2	3947	0	0	0	0.09	
-3949	H2B	SLES	1	74.2532	24.8175	63.381	HCA2	3947	0	0	0	0.09	
-3950	C1	SLES	1	72.1735	25.3565	62.9031	CC32A	3947	3951	3952	3953	-0.01	
-3951	H1B	SLES	1	71.195	25.0065	63.298	HCA2	3950	0	0	0	0.09	
-3952	H1A	SLES	1	72.4308	26.3172	63.3925	HCA2	3950	0	0	0	0.09	
-3953	O1	SLES	1	71.7811	25.7189	61.5402	OC30A	3950	3954	0	0	-0.34	
-3954	C1	SLES	1	71.2948	27.1015	61.3784	CTL2	3953	3955	3956	3957	-0.18	
-3955	H11	SLES	1	71.1552	27.5185	62.3921	HAL2	3954	0	0	0	0.09	
-3956	H12	SLES	1	72.176	27.5882	60.9115	HAL2	3954	0	0	0	0.09	
-3957	C2	SLES	1	70.0058	27.38	60.5083	CTL2	3954	3958	3959	3960	-0.18	
-3958	H21	SLES	1	69.5958	26.4117	60.1437	HAL2	3957	0	0	0	0.09	
-3959	H22	SLES	1	70.2925	27.9862	59.6213	HAL2	3957	0	0	0	0.09	
-3960	C3	SLES	1	68.865	28.156	61.3299	CTL2	3957	3961	3962	3963	-0.18	
-3961	H31	SLES	1	68.0664	27.4333	61.6098	HAL2	3960	0	0	0	0.09	
-3962	H32	SLES	1	69.3032	28.5573	62.2655	HAL2	3960	0	0	0	0.09	
-3963	C4	SLES	1	68.2156	29.3489	60.513	CTL2	3960	3964	3965	3966	-0.18	
-3964	H41	SLES	1	67.2292	29.0223	60.1225	HAL2	3963	0	0	0	0.09	
-3965	H42	SLES	1	68.8643	29.5919	59.6441	HAL2	3963	0	0	0	0.09	
-3966	C5	SLES	1	68.0185	30.6627	61.3962	CTL2	3963	3967	3968	3969	-0.18	
-3967	H51	SLES	1	68.0686	30.3874	62.4728	HAL2	3966	0	0	0	0.09	
-3968	H52	SLES	1	68.8528	31.3701	61.1848	HAL2	3966	0	0	0	0.09	
-3969	C6	SLES	1	66.6485	31.3889	61.1189	CTL2	3966	3970	3971	3972	-0.18	
-3970	H61	SLES	1	65.8222	30.783	61.5539	HAL2	3969	0	0	0	0.09	
-3971	H62	SLES	1	66.6537	32.3795	61.6308	HAL2	3969	0	0	0	0.09	
-3972	C7	SLES	1	66.3749	31.6049	59.5968	CTL2	3969	3973	3974	3975	-0.18	
-3973	H71	SLES	1	65.9734	30.6623	59.1631	HAL2	3972	0	0	0	0.09	
-3974	H72	SLES	1	67.3347	31.8374	59.0839	HAL2	3972	0	0	0	0.09	
-3975	C8	SLES	1	65.3684	32.7512	59.3282	CTL2	3972	3976	3977	3978	-0.18	
-3976	H81	SLES	1	64.4973	32.6391	60.0137	HAL2	3975	0	0	0	0.09	
-3977	H82	SLES	1	65.8589	33.7259	59.5515	HAL2	3975	0	0	0	0.09	
-3978	C9	SLES	1	64.8619	32.763	57.864	CTL2	3975	3979	3980	3981	-0.18	
-3979	H91	SLES	1	64.398	31.7773	57.6324	HAL2	3978	0	0	0	0.09	
-3980	H92	SLES	1	65.7298	32.903	57.181	HAL2	3978	0	0	0	0.09	
-3981	C10	SLES	1	63.8265	33.8819	57.6005	CTL2	3978	3982	3983	3984	-0.18	
-3982	H10	SLES	1	62.9476	33.7284	58.2674	HAL2	3981	0	0	0	0.09	
-3983	H10	SLES	1	64.2823	34.8659	57.853	HAL2	3981	0	0	0	0.09	
-3984	C11	SLES	1	63.3445	33.9101	56.1258	CTL2	3981	3985	3986	3987	-0.18	
-3985	H11	SLES	1	62.8833	32.9262	55.8801	HAL2	3984	0	0	0	0.09	
-3986	H11	SLES	1	64.2288	34.0456	55.4619	HAL2	3984	0	0	0	0.09	
-3987	C12	SLES	1	62.3174	35.0322	55.8253	CTL3	3984	3988	3989	3990	-0.27	
-3988	H12	SLES	1	61.3649	34.5949	55.453	HAL3	3987	0	0	0	0.09	
-3989	H12	SLES	1	62.7163	35.724	55.0508	HAL3	3987	0	0	0	0.09	
-3990	H12	SLES	1	62.1028	35.6173	56.746	HAL3	3987	0	0	0	0.09	
-3991	NA	SLES	1	84.2636	26.9974	63.712	NA	0	0	0	0	1	
-3992	S	SLES	1	83.1087	29.6075	65.9931	SL	3993	3994	3995	3996	1.33	
-3993	OS1	SLES	1	82.4412	29.3035	64.4867	OSL	3992	3997	0	0	-0.28	
-3994	OS2	SLES	1	83.0032	28.3732	66.7432	O2L	3992	0	0	0	-0.65	
-3995	OS3	SLES	1	84.5022	29.9242	65.7597	O2L	3992	0	0	0	-0.65	
-3996	OS4	SLES	1	82.4719	30.6892	66.7273	O2L	3992	0	0	0	-0.65	
-3997	C2	SLES	1	81.1917	30.095	64.3066	CC32A	3993	3998	3999	4000	-0.11	
-3998	H2A	SLES	1	80.4658	29.8866	65.1413	HCA2	3997	0	0	0	0.09	
-3999	H2B	SLES	1	81.4567	31.1885	64.3185	HCA2	3997	0	0	0	0.09	
-4000	C1	SLES	1	80.5223	29.7159	62.9014	CC32A	3997	4001	4002	4003	-0.01	
-4001	H1B	SLES	1	80.3397	28.6177	62.8526	HCA2	4000	0	0	0	0.09	
-4002	H1A	SLES	1	81.2028	30.0046	62.0668	HCA2	4000	0	0	0	0.09	
-4003	O1	SLES	1	79.216	30.2894	62.5236	OC30A	4000	4004	0	0	-0.34	
-4004	C2	SLES	1	78.7934	31.4644	63.2471	CC32A	4003	4005	4006	4007	-0.01	
-4005	H2A	SLES	1	78.7458	31.0841	64.2863	HCA2	4004	0	0	0	0.09	
-4006	H2B	SLES	1	79.6763	32.1356	63.1508	HCA2	4004	0	0	0	0.09	
-4007	C1	SLES	1	77.4907	32.2622	62.925	CC32A	4004	4008	4009	4010	-0.01	
-4008	H1B	SLES	1	76.6468	31.8615	63.5277	HCA2	4007	0	0	0	0.09	
-4009	H1A	SLES	1	77.6402	33.3285	63.1883	HCA2	4007	0	0	0	0.09	
-4010	O1	SLES	1	76.868	32.2828	61.6004	OC30A	4007	4011	0	0	-0.34	
-4011	C1	SLES	1	76.1341	33.5198	61.2758	CTL2	4010	4012	4013	4014	-0.18	
-4012	H11	SLES	1	76.0577	34.1076	62.2084	HAL2	4011	0	0	0	0.09	
-4013	H12	SLES	1	76.85	34.0245	60.5946	HAL2	4011	0	0	0	0.09	
-4014	C2	SLES	1	74.7143	33.4291	60.5885	CTL2	4011	4015	4016	4017	-0.18	
-4015	H21	SLES	1	74.4333	32.3584	60.4724	HAL2	4014	0	0	0	0.09	
-4016	H22	SLES	1	74.7747	33.8794	59.5736	HAL2	4014	0	0	0	0.09	
-4017	C3	SLES	1	73.5737	34.1818	61.4316	CTL2	4014	4018	4019	4020	-0.18	
-4018	H31	SLES	1	72.9547	33.4228	61.9599	HAL2	4017	0	0	0	0.09	
-4019	H32	SLES	1	74.0541	34.8219	62.1983	HAL2	4017	0	0	0	0.09	
-4020	C4	SLES	1	72.628	35.0798	60.5309	CTL2	4017	4021	4022	4023	-0.18	
-4021	H41	SLES	1	71.6703	34.5428	60.3681	HAL2	4020	0	0	0	0.09	
-4022	H42	SLES	1	73.1067	35.2341	59.5399	HAL2	4020	0	0	0	0.09	
-4023	C5	SLES	1	72.3242	36.502	61.1867	CTL2	4020	4024	4025	4026	-0.18	
-4024	H51	SLES	1	72.5605	36.4589	62.2728	HAL2	4023	0	0	0	0.09	
-4025	H52	SLES	1	72.9896	37.2651	60.7219	HAL2	4023	0	0	0	0.09	
-4026	C6	SLES	1	70.8254	36.9525	61.0084	CTL2	4023	4027	4028	4029	-0.18	
-4027	H61	SLES	1	70.1794	36.3339	61.6711	HAL2	4026	0	0	0	0.09	
-4028	H62	SLES	1	70.7265	38.0161	61.3287	HAL2	4026	0	0	0	0.09	
-4029	C7	SLES	1	70.3232	36.8164	59.5362	CTL2	4026	4030	4031	4032	-0.18	
-4030	H71	SLES	1	70.037	35.758	59.347	HAL2	4029	0	0	0	0.09	
-4031	H72	SLES	1	71.1538	37.0768	58.8428	HAL2	4029	0	0	0	0.09	
-4032	C8	SLES	1	69.1081	37.728	59.2334	CTL2	4029	4033	4034	4035	-0.18	
-4033	H81	SLES	1	68.366	37.6318	60.0588	HAL2	4032	0	0	0	0.09	
-4034	H82	SLES	1	69.4483	38.7881	59.1983	HAL2	4032	0	0	0	0.09	
-4035	C9	SLES	1	68.4212	37.3721	57.891	CTL2	4032	4036	4037	4038	-0.18	
-4036	H91	SLES	1	68.1078	36.3037	57.9157	HAL2	4035	0	0	0	0.09	
-4037	H92	SLES	1	69.1558	37.4955	57.0637	HAL2	4035	0	0	0	0.09	
-4038	C10	SLES	1	67.1833	38.2541	57.6027	CTL2	4035	4039	4040	4041	-0.18	
-4039	H10	SLES	1	66.4382	38.113	58.4186	HAL2	4038	0	0	0	0.09	
-4040	H10	SLES	1	67.4919	39.3241	57.5999	HAL2	4038	0	0	0	0.09	
-4041	C11	SLES	1	66.5162	37.9156	56.2433	CTL2	4038	4042	4043	4044	-0.18	
-4042	H11	SLES	1	66.2033	36.8464	56.2536	HAL2	4041	0	0	0	0.09	
-4043	H11	SLES	1	67.27	38.0407	55.4327	HAL2	4041	0	0	0	0.09	
-4044	C12	SLES	1	65.281	38.7945	55.9172	CTL3	4041	4045	4046	4047	-0.27	
-4045	H12	SLES	1	64.3778	38.1586	55.7863	HAL3	4044	0	0	0	0.09	
-4046	H12	SLES	1	65.4507	39.3665	54.9783	HAL3	4044	0	0	0	0.09	
-4047	H12	SLES	1	65.0904	39.5155	56.7417	HAL3	4044	0	0	0	0.09	
-4048	NA	SLES	1	88.4313	36.4288	64.0761	NA	0	0	0	0	1	
-4049	S	SLES	1	87.0243	39.2899	65.8606	SL	4050	4051	4052	4053	1.33	
-4050	OS1	SLES	1	86.3086	38.5554	64.5357	OSL	4049	4054	0	0	-0.28	
-4051	OS2	SLES	1	87.1836	38.2573	66.8635	O2L	4049	0	0	0	-0.65	
-4052	OS3	SLES	1	88.3236	39.7475	65.4145	O2L	4049	0	0	0	-0.65	
-4053	OS4	SLES	1	86.2702	40.4041	66.4124	O2L	4049	0	0	0	-0.65	
-4054	C2	SLES	1	84.9338	39.0915	64.3285	CC32A	4050	4055	4056	4057	-0.11	
-4055	H2A	SLES	1	84.3167	38.9738	65.2625	HCA2	4054	0	0	0	0.09	
-4056	H2B	SLES	1	85.0111	40.1857	64.0781	HCA2	4054	0	0	0	0.09	
-4057	C1	SLES	1	84.2363	38.3074	63.118	CC32A	4054	4058	4059	4060	-0.01	
-4058	H1B	SLES	1	84.2381	37.2125	63.3246	HCA2	4057	0	0	0	0.09	
-4059	H1A	SLES	1	84.7953	38.4957	62.1719	HCA2	4057	0	0	0	0.09	
-4060	O1	SLES	1	82.828	38.5803	62.7716	OC30A	4057	4061	0	0	-0.34	
-4061	C2	SLES	1	82.2679	39.8134	63.2697	CC32A	4060	4062	4063	4064	-0.01	
-4062	H2A	SLES	1	82.3615	39.6773	64.3649	HCA2	4061	0	0	0	0.09	
-4063	H2B	SLES	1	83.0157	40.568	62.9369	HCA2	4061	0	0	0	0.09	
-4064	C1	SLES	1	80.8294	40.3153	62.9291	CC32A	4061	4065	4066	4067	-0.01	
-4065	H1B	SLES	1	80.1116	39.9422	63.6917	HCA2	4064	0	0	0	0.09	
-4066	H1A	SLES	1	80.8162	41.4236	62.9412	HCA2	4064	0	0	0	0.09	
-4067	O1	SLES	1	80.1164	39.9413	61.7066	OC30A	4064	4068	0	0	-0.34	
-4068	C1	SLES	1	79.1629	40.9494	61.2079	CTL2	4067	4069	4070	4071	-0.18	
-4069	H11	SLES	1	79.0574	41.7163	61.9965	HAL2	4068	0	0	0	0.09	
-4070	H12	SLES	1	79.7316	41.3857	60.3609	HAL2	4068	0	0	0	0.09	
-4071	C2	SLES	1	77.732	40.4956	60.7149	CTL2	4068	4072	4073	4074	-0.18	
-4072	H21	SLES	1	77.6275	39.3972	60.861	HAL2	4071	0	0	0	0.09	
-4073	H22	SLES	1	77.6409	40.7066	59.627	HAL2	4071	0	0	0	0.09	
-4074	C3	SLES	1	76.546	41.2436	61.4976	CTL2	4071	4075	4076	4077	-0.18	
-4075	H31	SLES	1	76.1042	40.5419	62.2398	HAL2	4074	0	0	0	0.09	
-4076	H32	SLES	1	76.9668	42.1052	62.0531	HAL2	4074	0	0	0	0.09	
-4077	C4	SLES	1	75.399	41.7628	60.5348	CTL2	4074	4078	4079	4080	-0.18	
-4078	H41	SLES	1	74.5361	41.0673	60.5958	HAL2	4077	0	0	0	0.09	
-4079	H42	SLES	1	75.7707	41.7562	59.4876	HAL2	4077	0	0	0	0.09	
-4080	C5	SLES	1	74.9092	43.2361	60.9016	CTL2	4077	4081	4082	4083	-0.18	
-4081	H51	SLES	1	75.2285	43.477	61.9396	HAL2	4080	0	0	0	0.09	
-4082	H52	SLES	1	75.4005	43.9629	60.2151	HAL2	4080	0	0	0	0.09	
-4083	C6	SLES	1	73.3469	43.4075	60.7961	CTL2	4080	4084	4085	4086	-0.18	
-4084	H61	SLES	1	72.8648	42.8676	61.6418	HAL2	4083	0	0	0	0.09	
-4085	H62	SLES	1	73.0941	44.4894	60.8913	HAL2	4083	0	0	0	0.09	
-4086	C7	SLES	1	72.768	42.8668	59.4505	CTL2	4083	4087	4088	4089	-0.18	
-4087	H71	SLES	1	72.6509	41.7628	59.5236	HAL2	4086	0	0	0	0.09	
-4088	H72	SLES	1	73.4895	43.0821	58.6312	HAL2	4086	0	0	0	0.09	
-4089	C8	SLES	1	71.3978	43.4956	59.0949	CTL2	4086	4090	4091	4092	-0.18	
-4090	H81	SLES	1	70.7451	43.4813	59.9977	HAL2	4089	0	0	0	0.09	
-4091	H82	SLES	1	71.5511	44.558	58.7978	HAL2	4089	0	0	0	0.09	
-4092	C9	SLES	1	70.6838	42.7457	57.9423	CTL2	4089	4093	4094	4095	-0.18	
-4093	H91	SLES	1	70.5574	41.6767	58.2282	HAL2	4092	0	0	0	0.09	
-4094	H92	SLES	1	71.3242	42.7845	57.0326	HAL2	4092	0	0	0	0.09	
-4095	C10	SLES	1	69.2973	43.3458	57.6095	CTL2	4092	4096	4097	4098	-0.18	
-4096	H10	SLES	1	68.6486	43.2857	58.5131	HAL2	4095	0	0	0	0.09	
-4097	H10	SLES	1	69.4202	44.4205	57.3451	HAL2	4095	0	0	0	0.09	
-4098	C11	SLES	1	68.5985	42.6116	56.4346	CTL2	4095	4099	4100	4101	-0.18	
-4099	H11	SLES	1	68.4717	41.5387	56.7066	HAL2	4098	0	0	0	0.09	
-4100	H11	SLES	1	69.2588	42.6588	55.5386	HAL2	4098	0	0	0	0.09	
-4101	C12	SLES	1	67.2124	43.2006	56.0654	CTL3	4098	4102	4103	4104	-0.27	
-4102	H12	SLES	1	66.422	42.4254	56.1725	HAL3	4101	0	0	0	0.09	
-4103	H12	SLES	1	67.2139	43.5623	55.0134	HAL3	4101	0	0	0	0.09	
-4104	H12	SLES	1	66.9643	44.0543	56.7331	HAL3	4101	0	0	0	0.09	
-4105	NA	SLES	1	92.7472	46.6805	53.3446	NA	0	0	0	0	1	
-4106	S	SLES	1	91.2731	49.6329	54.9132	SL	4107	4108	4109	4110	1.33	
-4107	OS1	SLES	1	90.4112	48.5015	54.0276	OSL	4106	4111	0	0	-0.28	
-4108	OS2	SLES	1	91.9105	48.9074	55.9924	O2L	4106	0	0	0	-0.65	
-4109	OS3	SLES	1	92.278	50.1654	54.017	O2L	4106	0	0	0	-0.65	
-4110	OS4	SLES	1	90.4675	50.7166	55.4529	O2L	4106	0	0	0	-0.65	
-4111	C2	SLES	1	88.948	48.7537	54.153	CC32A	4107	4112	4113	4114	-0.11	
-4112	H2A	SLES	1	88.639	48.769	55.2353	HCA2	4111	0	0	0	0.09	
-4113	H2B	SLES	1	88.7174	49.7548	53.6939	HCA2	4111	0	0	0	0.09	
-4114	C1	SLES	1	88.1441	47.605	53.3779	CC32A	4111	4115	4116	4117	-0.01	
-4115	H1B	SLES	1	88.4376	46.605	53.7722	HCA2	4114	0	0	0	0.09	
-4116	H1A	SLES	1	88.38	47.6455	52.289	HCA2	4114	0	0	0	0.09	
-4117	O1	SLES	1	86.6698	47.5663	53.4319	OC30A	4114	4118	0	0	-0.34	
-4118	C2	SLES	1	86.0067	48.7812	53.8406	CC32A	4117	4119	4120	4121	-0.01	
-4119	H2A	SLES	1	86.4122	48.927	54.8609	HCA2	4118	0	0	0	0.09	
-4120	H2B	SLES	1	86.4586	49.5404	53.1632	HCA2	4118	0	0	0	0.09	
-4121	C1	SLES	1	84.4559	48.9589	53.867	CC32A	4118	4122	4123	4124	-0.01	
-4122	H1B	SLES	1	84.0626	48.6728	54.8667	HCA2	4121	0	0	0	0.09	
-4123	H1A	SLES	1	84.2063	50.0222	53.6781	HCA2	4121	0	0	0	0.09	
-4124	O1	SLES	1	83.5454	48.198	53.0099	OC30A	4121	4125	0	0	-0.34	
-4125	C1	SLES	1	82.2992	48.898	52.6478	CTL2	4124	4126	4127	4128	-0.18	
-4126	H11	SLES	1	82.2409	49.8054	53.2757	HAL2	4125	0	0	0	0.09	
-4127	H12	SLES	1	82.5164	49.2014	51.6029	HAL2	4125	0	0	0	0.09	
-4128	C2	SLES	1	80.9228	48.1243	52.7055	CTL2	4125	4129	4130	4131	-0.18	
-4129	H21	SLES	1	81.1012	47.0901	53.0761	HAL2	4128	0	0	0	0.09	
-4130	H22	SLES	1	80.5053	48.0523	51.6774	HAL2	4128	0	0	0	0.09	
-4131	C3	SLES	1	79.8513	48.8454	53.6597	CTL2	4128	4132	4133	4134	-0.18	
-4132	H31	SLES	1	79.7833	48.2821	54.617	HAL2	4131	0	0	0	0.09	
-4133	H32	SLES	1	80.2061	49.8692	53.8924	HAL2	4131	0	0	0	0.09	
-4134	C4	SLES	1	78.4073	48.9359	53.0128	CTL2	4131	4135	4136	4137	-0.18	
-4135	H41	SLES	1	77.7629	48.1506	53.4601	HAL2	4134	0	0	0	0.09	
-4136	H42	SLES	1	78.4828	48.7366	51.9221	HAL2	4134	0	0	0	0.09	
-4137	C5	SLES	1	77.7236	50.3604	53.2331	CTL2	4134	4138	4139	4140	-0.18	
-4138	H51	SLES	1	78.2444	50.8888	54.0619	HAL2	4137	0	0	0	0.09	
-4139	H52	SLES	1	77.8473	50.9688	52.3081	HAL2	4137	0	0	0	0.09	
-4140	C6	SLES	1	76.19	50.2583	53.5777	CTL2	4137	4141	4142	4143	-0.18	
-4141	H61	SLES	1	76.0762	49.8686	54.6142	HAL2	4140	0	0	0	0.09	
-4142	H62	SLES	1	75.7427	51.2793	53.5441	HAL2	4140	0	0	0	0.09	
-4143	C7	SLES	1	75.4092	49.3289	52.5955	CTL2	4140	4144	4145	4146	-0.18	
-4144	H71	SLES	1	75.5579	48.27	52.9028	HAL2	4143	0	0	0	0.09	
-4145	H72	SLES	1	75.8254	49.4508	51.5707	HAL2	4143	0	0	0	0.09	
-4146	C8	SLES	1	73.8911	49.6352	52.5637	CTL2	4143	4147	4148	4149	-0.18	
-4147	H81	SLES	1	73.5181	49.7367	53.6086	HAL2	4146	0	0	0	0.09	
-4148	H82	SLES	1	73.7267	50.6064	52.0437	HAL2	4146	0	0	0	0.09	
-4149	C9	SLES	1	73.0796	48.5305	51.8415	CTL2	4146	4150	4151	4152	-0.18	
-4150	H91	SLES	1	73.2678	47.5546	52.344	HAL2	4149	0	0	0	0.09	
-4151	H92	SLES	1	73.434	48.449	50.7894	HAL2	4149	0	0	0	0.09	
-4152	C10	SLES	1	71.5584	48.8123	51.8413	CTL2	4149	4153	4154	4155	-0.18	
-4153	H10	SLES	1	71.1992	48.8706	52.8941	HAL2	4152	0	0	0	0.09	
-4154	H10	SLES	1	71.3713	49.7983	51.3588	HAL2	4152	0	0	0	0.09	
-4155	C11	SLES	1	70.7518	47.7197	51.0907	CTL2	4152	4156	4157	4158	-0.18	
-4156	H11	SLES	1	70.9369	46.7366	51.5811	HAL2	4155	0	0	0	0.09	
-4157	H11	SLES	1	71.1268	47.6526	50.0438	HAL2	4155	0	0	0	0.09	
-4158	C12	SLES	1	69.2239	47.9822	51.0584	CTL3	4155	4159	4160	4161	-0.27	
-4159	H12	SLES	1	68.6771	47.1425	51.5415	HAL3	4158	0	0	0	0.09	
-4160	H12	SLES	1	68.8702	48.0775	50.008	HAL3	4158	0	0	0	0.09	
-4161	H12	SLES	1	68.981	48.9218	51.6007	HAL3	4158	0	0	0	0.09	
-4162	NA	SLES	1	91.9023	57.3952	53.9245	NA	0	0	0	0	1	
-4163	S	SLES	1	89.7549	60.245	54.7108	SL	4164	4165	4166	4167	1.33	
-4164	OS1	SLES	1	89.2014	58.7749	54.128	OSL	4163	4168	0	0	-0.28	
-4165	OS2	SLES	1	90.4672	59.9557	55.9381	O2L	4163	0	0	0	-0.65	
-4166	OS3	SLES	1	90.6758	60.7521	53.715	O2L	4163	0	0	0	-0.65	
-4167	OS4	SLES	1	88.7106	61.2249	54.9633	O2L	4163	0	0	0	-0.65	
-4168	C2	SLES	1	87.7131	58.7259	54.1813	CC32A	4164	4169	4170	4171	-0.11	
-4169	H2A	SLES	1	87.3461	58.9329	55.2252	HCA2	4168	0	0	0	0.09	
-4170	H2B	SLES	1	87.3047	59.513	53.4887	HCA2	4168	0	0	0	0.09	
-4171	C1	SLES	1	87.2134	57.2785	53.7102	CC32A	4168	4172	4173	4174	-0.01	
-4172	H1B	SLES	1	87.6868	56.4906	54.34	HCA2	4171	0	0	0	0.09	
-4173	H1A	SLES	1	87.4977	57.1069	52.6459	HCA2	4171	0	0	0	0.09	
-4174	O1	SLES	1	85.7793	56.9348	53.766	OC30A	4171	4175	0	0	-0.34	
-4175	C2	SLES	1	84.8542	58.0384	53.8599	CC32A	4174	4176	4177	4178	-0.01	
-4176	H2A	SLES	1	85.1609	58.5091	54.8144	HCA2	4175	0	0	0	0.09	
-4177	H2B	SLES	1	85.1751	58.6924	53.018	HCA2	4175	0	0	0	0.09	
-4178	C1	SLES	1	83.3017	57.8762	53.8353	CC32A	4175	4179	4180	4181	-0.01	
-4179	H1B	SLES	1	82.9202	57.7598	54.8731	HCA2	4178	0	0	0	0.09	
-4180	H1A	SLES	1	82.8461	58.7828	53.3891	HCA2	4178	0	0	0	0.09	
-4181	O1	SLES	1	82.6214	56.7529	53.1886	OC30A	4178	4182	0	0	-0.34	
-4182	C1	SLES	1	81.2791	57.0579	52.6601	CTL2	4181	4183	4184	4185	-0.18	
-4183	H11	SLES	1	80.9962	58.0545	53.0445	HAL2	4182	0	0	0	0.09	
-4184	H12	SLES	1	81.4875	57.1416	51.5735	HAL2	4182	0	0	0	0.09	
-4185	C2	SLES	1	80.0943	56.0408	52.9011	CTL2	4182	4186	4187	4188	-0.18	
-4186	H21	SLES	1	80.4637	55.1898	53.516	HAL2	4185	0	0	0	0.09	
-4187	H22	SLES	1	79.7608	55.6355	51.9208	HAL2	4185	0	0	0	0.09	
-4188	C3	SLES	1	78.8426	56.7193	53.6437	CTL2	4185	4189	4190	4191	-0.18	
-4189	H31	SLES	1	78.8393	56.4011	54.71	HAL2	4188	0	0	0	0.09	
-4190	H32	SLES	1	78.9611	57.8209	53.6182	HAL2	4188	0	0	0	0.09	
-4191	C4	SLES	1	77.4512	56.3363	52.9886	CTL2	4188	4192	4193	4194	-0.18	
-4192	H41	SLES	1	76.961	55.5606	53.6131	HAL2	4191	0	0	0	0.09	
-4193	H42	SLES	1	77.6292	55.9025	51.9811	HAL2	4191	0	0	0	0.09	
-4194	C5	SLES	1	76.4728	57.5886	52.8481	CTL2	4191	4195	4196	4197	-0.18	
-4195	H51	SLES	1	76.823	58.4004	53.5231	HAL2	4194	0	0	0	0.09	
-4196	H52	SLES	1	76.5193	57.9694	51.8022	HAL2	4194	0	0	0	0.09	
-4197	C6	SLES	1	74.9774	57.2417	53.201	CTL2	4194	4198	4199	4200	-0.18	
-4198	H61	SLES	1	74.8885	57.0968	54.3011	HAL2	4197	0	0	0	0.09	
-4199	H62	SLES	1	74.3289	58.1026	52.9149	HAL2	4197	0	0	0	0.09	
-4200	C7	SLES	1	74.4663	55.9572	52.4751	CTL2	4197	4201	4202	4203	-0.18	
-4201	H71	SLES	1	74.8155	55.0611	53.0346	HAL2	4200	0	0	0	0.09	
-4202	H72	SLES	1	74.9058	55.9171	51.4536	HAL2	4200	0	0	0	0.09	
-4203	C8	SLES	1	72.9221	55.9098	52.3626	CTL2	4200	4204	4205	4206	-0.18	
-4204	H81	SLES	1	72.4767	56.1754	53.3487	HAL2	4203	0	0	0	0.09	
-4205	H82	SLES	1	72.588	56.6683	51.6185	HAL2	4203	0	0	0	0.09	
-4206	C9	SLES	1	72.4027	54.5151	51.9318	CTL2	4203	4207	4208	4209	-0.18	
-4207	H91	SLES	1	72.762	53.753	52.6602	HAL2	4206	0	0	0	0.09	
-4208	H92	SLES	1	72.8261	54.2626	50.9336	HAL2	4206	0	0	0	0.09	
-4209	C10	SLES	1	70.8588	54.4514	51.8559	CTL2	4206	4210	4211	4212	-0.18	
-4210	H10	SLES	1	70.4355	54.6811	52.8603	HAL2	4209	0	0	0	0.09	
-4211	H10	SLES	1	70.4974	55.2281	51.1445	HAL2	4209	0	0	0	0.09	
-4212	C11	SLES	1	70.3434	53.0624	51.3946	CTL2	4209	4213	4214	4215	-0.18	
-4213	H11	SLES	1	70.7018	52.29	52.113	HAL2	4212	0	0	0	0.09	
-4214	H11	SLES	1	70.7835	52.8292	50.3981	HAL2	4212	0	0	0	0.09	
-4215	C12	SLES	1	68.7988	52.9713	51.2924	CTL3	4212	4216	4217	4218	-0.27	
-4216	H12	SLES	1	68.4132	52.174	51.9654	HAL3	4215	0	0	0	0.09	
-4217	H12	SLES	1	68.4939	52.7328	50.2495	HAL3	4215	0	0	0	0.09	
-4218	H12	SLES	1	68.3338	53.9377	51.5852	HAL3	4215	0	0	0	0.09	
-4219	NA	SLES	1	88.4078	67.7013	54.5508	NA	0	0	0	0	1	
-4220	S	SLES	1	85.6514	70.099	54.4949	SL	4221	4222	4223	4224	1.33	
-4221	OS1	SLES	1	85.4783	68.4516	54.2436	OSL	4220	4225	0	0	-0.28	
-4222	OS2	SLES	1	86.2613	70.2513	55.7997	O2L	4220	0	0	0	-0.65	
-4223	OS3	SLES	1	86.5589	70.5698	53.4695	O2L	4220	0	0	0	-0.65	
-4224	OS4	SLES	1	84.4082	70.8512	54.4385	O2L	4220	0	0	0	-0.65	
-4225	C2	SLES	1	84.0348	68.0835	54.2099	CC32A	4221	4226	4227	4228	-0.11	
-4226	H2A	SLES	1	83.5157	68.4256	55.1483	HCA2	4225	0	0	0	0.09	
-4227	H2B	SLES	1	83.5579	68.5888	53.3247	HCA2	4225	0	0	0	0.09	
-4228	C1	SLES	1	83.8966	66.4941	54.0649	CC32A	4225	4229	4230	4231	-0.01	
-4229	H1B	SLES	1	84.444	65.9889	54.8935	HCA2	4228	0	0	0	0.09	
-4230	H1A	SLES	1	84.3305	66.1627	53.0927	HCA2	4228	0	0	0	0.09	
-4231	O1	SLES	1	82.5653	65.8588	54.1071	OC30A	4228	4232	0	0	-0.34	
-4232	C2	SLES	1	81.4311	66.7204	53.8752	CC32A	4231	4233	4234	4235	-0.01	
-4233	H2A	SLES	1	81.524	67.4443	54.7084	HCA2	4232	0	0	0	0.09	
-4234	H2B	SLES	1	81.7076	67.23	52.9248	HCA2	4232	0	0	0	0.09	
-4235	C1	SLES	1	79.9571	66.2135	53.7887	CC32A	4232	4236	4237	4238	-0.01	
-4236	H1B	SLES	1	79.4902	66.2438	54.7972	HCA2	4235	0	0	0	0.09	
-4237	H1A	SLES	1	79.3817	66.8754	53.1109	HCA2	4235	0	0	0	0.09	
-4238	O1	SLES	1	79.5978	64.8532	53.3847	OC30A	4235	4239	0	0	-0.34	
-4239	C1	SLES	1	78.2915	64.7271	52.7124	CTL2	4238	4240	4241	4242	-0.18	
-4240	H11	SLES	1	77.7701	65.6943	52.8295	HAL2	4239	0	0	0	0.09	
-4241	H12	SLES	1	78.6025	64.6164	51.653	HAL2	4239	0	0	0	0.09	
-4242	C2	SLES	1	77.3178	63.5483	53.1106	CTL2	4239	4243	4244	4245	-0.18	
-4243	H21	SLES	1	77.7787	62.9567	53.9329	HAL2	4242	0	0	0	0.09	
-4244	H22	SLES	1	77.1886	62.875	52.2351	HAL2	4242	0	0	0	0.09	
-4245	C3	SLES	1	75.8775	64.0746	53.5871	CTL2	4242	4246	4247	4248	-0.18	
-4246	H31	SLES	1	75.8159	64.0041	54.696	HAL2	4245	0	0	0	0.09	
-4247	H32	SLES	1	75.7724	65.142	53.3082	HAL2	4245	0	0	0	0.09	
-4248	C4	SLES	1	74.6776	63.2565	52.9525	CTL2	4245	4249	4250	4251	-0.18	
-4249	H41	SLES	1	74.2861	62.546	53.7103	HAL2	4248	0	0	0	0.09	
-4250	H42	SLES	1	75.0547	62.6646	52.0909	HAL2	4248	0	0	0	0.09	
-4251	C5	SLES	1	73.4885	64.1964	52.4547	CTL2	4248	4252	4253	4254	-0.18	
-4252	H51	SLES	1	73.5867	65.1932	52.9387	HAL2	4251	0	0	0	0.09	
-4253	H52	SLES	1	73.577	64.3405	51.3536	HAL2	4251	0	0	0	0.09	
-4254	C6	SLES	1	72.0639	63.6091	52.7817	CTL2	4251	4255	4256	4257	-0.18	
-4255	H61	SLES	1	71.8801	63.6914	53.8764	HAL2	4254	0	0	0	0.09	
-4256	H62	SLES	1	71.2918	64.2193	52.2574	HAL2	4254	0	0	0	0.09	
-4257	C7	SLES	1	71.9109	62.1162	52.3503	CTL2	4254	4258	4259	4260	-0.18	
-4258	H71	SLES	1	72.3677	61.4652	53.1284	HAL2	4257	0	0	0	0.09	
-4259	H72	SLES	1	72.4642	61.9538	51.3985	HAL2	4257	0	0	0	0.09	
-4260	C8	SLES	1	70.4319	61.701	52.1518	CTL2	4257	4261	4262	4263	-0.18	
-4261	H81	SLES	1	69.8313	62.0687	53.0152	HAL2	4260	0	0	0	0.09	
-4262	H82	SLES	1	70.039	62.1845	51.2285	HAL2	4260	0	0	0	0.09	
-4263	C9	SLES	1	70.2592	60.166	52.032	CTL2	4260	4264	4265	4266	-0.18	
-4264	H91	SLES	1	70.6791	59.6813	52.9426	HAL2	4263	0	0	0	0.09	
-4265	H92	SLES	1	70.8371	59.8033	51.1524	HAL2	4263	0	0	0	0.09	
-4266	C10	SLES	1	68.7795	59.7433	51.8729	CTL2	4263	4267	4268	4269	-0.18	
-4267	H10	SLES	1	68.2056	60.0858	52.7641	HAL2	4266	0	0	0	0.09	
-4268	H10	SLES	1	68.3526	60.2451	50.9751	HAL2	4266	0	0	0	0.09	
-4269	C11	SLES	1	68.613	58.2079	51.7225	CTL2	4266	4270	4271	4272	-0.18	
-4270	H11	SLES	1	69.0353	57.711	52.6258	HAL2	4269	0	0	0	0.09	
-4271	H11	SLES	1	69.2031	57.8677	50.841	HAL2	4269	0	0	0	0.09	
-4272	C12	SLES	1	67.1412	57.7533	51.5443	CTL3	4269	4273	4274	4275	-0.27	
-4273	H12	SLES	1	66.8503	57.0564	52.361	HAL3	4272	0	0	0	0.09	
-4274	H12	SLES	1	67.0132	57.2312	50.5704	HAL3	4272	0	0	0	0.09	
-4275	H12	SLES	1	66.4594	58.6312	51.5679	HAL3	4272	0	0	0	0.09	
-4276	NA	SLES	1	82.3837	76.93	55.184	NA	0	0	0	0	1	
-4277	S	SLES	1	79.2543	78.5848	54.2792	SL	4278	4279	4280	4281	1.33	
-4278	OS1	SLES	1	79.4559	76.9238	54.3672	OSL	4277	4282	0	0	-0.28	
-4279	OS2	SLES	1	79.5968	79.1075	55.5857	O2L	4277	0	0	0	-0.65	
-4280	OS3	SLES	1	80.2073	79.0547	53.2957	O2L	4277	0	0	0	-0.65	
-4281	OS4	SLES	1	77.9133	79.0104	53.9115	O2L	4277	0	0	0	-0.65	
-4282	C2	SLES	1	78.1402	76.2365	54.2367	CC32A	4278	4283	4284	4285	-0.11	
-4283	H2A	SLES	1	77.4153	76.6166	55.0095	HCA2	4282	0	0	0	0.09	
-4284	H2B	SLES	1	77.726	76.4495	53.2124	HCA2	4282	0	0	0	0.09	
-4285	C1	SLES	1	78.3464	74.6584	54.4196	CC32A	4282	4286	4287	4288	-0.01	
-4286	H1B	SLES	1	78.8381	74.4513	55.3978	HCA2	4285	0	0	0	0.09	
-4287	H1A	SLES	1	78.9925	74.2629	53.6015	HCA2	4285	0	0	0	0.09	
-4288	O1	SLES	1	77.1796	73.755	54.4337	OC30A	4285	4289	0	0	-0.34	
-4289	C2	SLES	1	75.9513	74.2783	53.8857	CC32A	4288	4290	4291	4292	-0.01	
-4290	H2A	SLES	1	75.7592	75.1438	54.5495	HCA2	4289	0	0	0	0.09	
-4291	H2B	SLES	1	76.2749	74.6551	52.8894	HCA2	4289	0	0	0	0.09	
-4292	C1	SLES	1	74.6425	73.4415	53.7301	CC32A	4289	4293	4294	4295	-0.01	
-4293	H1B	SLES	1	74.0183	73.5482	54.6438	HCA2	4292	0	0	0	0.09	
-4294	H1A	SLES	1	74.0677	73.8198	52.8611	HCA2	4292	0	0	0	0.09	
-4295	O1	SLES	1	74.6326	71.9849	53.5858	OC30A	4292	4296	0	0	-0.34	
-4296	C1	SLES	1	73.5073	71.4439	52.8015	CTL2	4295	4297	4298	4299	-0.18	
-4297	H11	SLES	1	72.7922	72.2714	52.6441	HAL2	4296	0	0	0	0.09	
-4298	H12	SLES	1	74.0053	71.2155	51.8366	HAL2	4296	0	0	0	0.09	
-4299	C2	SLES	1	72.7348	70.1671	53.3206	CTL2	4296	4300	4301	4302	-0.18	
-4300	H21	SLES	1	73.1612	69.8565	54.3006	HAL2	4299	0	0	0	0.09	
-4301	H22	SLES	1	72.8889	69.3339	52.6005	HAL2	4299	0	0	0	0.09	
-4302	C3	SLES	1	71.16	70.4292	53.4936	CTL2	4299	4303	4304	4305	-0.18	
-4303	H31	SLES	1	70.9307	70.55	54.5758	HAL2	4302	0	0	0	0.09	
-4304	H32	SLES	1	70.8928	71.3752	52.9818	HAL2	4302	0	0	0	0.09	
-4305	C4	SLES	1	70.2686	69.2573	52.9069	CTL2	4302	4306	4307	4308	-0.18	
-4306	H41	SLES	1	69.906	68.6269	53.7455	HAL2	4305	0	0	0	0.09	
-4307	H42	SLES	1	70.8934	68.6199	52.2448	HAL2	4305	0	0	0	0.09	
-4308	C5	SLES	1	69.016	69.7944	52.0778	CTL2	4305	4309	4310	4311	-0.18	
-4309	H51	SLES	1	68.8326	70.8584	52.3454	HAL2	4308	0	0	0	0.09	
-4310	H52	SLES	1	69.2554	69.7514	50.9907	HAL2	4308	0	0	0	0.09	
-4311	C6	SLES	1	67.7023	68.9676	52.3461	CTL2	4308	4312	4313	4314	-0.18	
-4312	H61	SLES	1	67.3269	69.2042	53.3669	HAL2	4311	0	0	0	0.09	
-4313	H62	SLES	1	66.9222	69.2795	51.6129	HAL2	4311	0	0	0	0.09	
-4314	C7	SLES	1	67.9225	67.4262	52.229	CTL2	4311	4315	4316	4317	-0.18	
-4315	H71	SLES	1	68.3641	67.0497	53.1782	HAL2	4314	0	0	0	0.09	
-4316	H72	SLES	1	68.647	67.2233	51.409	HAL2	4314	0	0	0	0.09	
-4317	C8	SLES	1	66.6092	66.6557	51.9445	CTL2	4314	4318	4319	4320	-0.18	
-4318	H81	SLES	1	65.8129	67.0279	52.629	HAL2	4317	0	0	0	0.09	
-4319	H82	SLES	1	66.2868	66.86	50.8981	HAL2	4317	0	0	0	0.09	
-4320	C9	SLES	1	66.7671	65.1263	52.136	CTL2	4317	4321	4322	4323	-0.18	
-4321	H91	SLES	1	67.118	64.9247	53.1736	HAL2	4320	0	0	0	0.09	
-4322	H92	SLES	1	67.5432	64.7506	51.4319	HAL2	4320	0	0	0	0.09	
-4323	C10	SLES	1	65.4481	64.3557	51.8912	CTL2	4320	4324	4325	4326	-0.18	
-4324	H10	SLES	1	64.678	64.715	52.6113	HAL2	4323	0	0	0	0.09	
-4325	H10	SLES	1	65.0849	64.5744	50.8615	HAL2	4323	0	0	0	0.09	
-4326	C11	SLES	1	65.6171	62.8218	52.0539	CTL2	4323	4327	4328	4329	-0.18	
-4327	H11	SLES	1	65.9739	62.6077	53.0873	HAL2	4326	0	0	0	0.09	
-4328	H11	SLES	1	66.4008	62.4701	51.3446	HAL2	4326	0	0	0	0.09	
-4329	C12	SLES	1	64.3153	62.019	51.7984	CTL3	4326	4330	4331	4332	-0.27	
-4330	H12	SLES	1	64.0373	61.4352	52.7035	HAL3	4329	0	0	0	0.09	
-4331	H12	SLES	1	64.4568	61.3127	50.9507	HAL3	4329	0	0	0	0.09	
-4332	H12	SLES	1	63.4784	62.7075	51.55	HAL3	4329	0	0	0	0.09	
-4333	NA	SLES	1	74.1311	84.4352	55.7844	NA	0	0	0	0	1	
-4334	S	SLES	1	70.9907	85.1929	54.0773	SL	4335	4336	4337	4338	1.33	
-4335	OS1	SLES	1	71.4949	83.6496	54.4911	OSL	4334	4339	0	0	-0.28	
-4336	OS2	SLES	1	70.9463	85.9522	55.3097	O2L	4334	0	0	0	-0.65	
-4337	OS3	SLES	1	72.0136	85.7304	53.2046	O2L	4334	0	0	0	-0.65	
-4338	OS4	SLES	1	69.6972	85.2471	53.4152	O2L	4334	0	0	0	-0.65	
-4339	C2	SLES	1	70.3971	82.6688	54.2603	CC32A	4335	4340	4341	4342	-0.11	
-4340	H2A	SLES	1	69.4679	82.9744	54.8174	HCA2	4339	0	0	0	0.09	
-4341	H2B	SLES	1	70.169	82.6406	53.1588	HCA2	4339	0	0	0	0.09	
-4342	C1	SLES	1	70.8697	81.2192	54.7522	CC32A	4339	4343	4344	4345	-0.01	
-4343	H1B	SLES	1	71.1804	81.2645	55.8213	HCA2	4342	0	0	0	0.09	
-4344	H1A	SLES	1	71.7357	80.8747	54.1403	HCA2	4342	0	0	0	0.09	
-4345	O1	SLES	1	69.9276	80.0836	54.7253	OC30A	4342	4346	0	0	-0.34	
-4346	C2	SLES	1	68.7598	80.2332	53.8907	CC32A	4345	4347	4348	4349	-0.01	
-4347	H2A	SLES	1	68.2674	81.1138	54.3478	HCA2	4346	0	0	0	0.09	
-4348	H2B	SLES	1	69.2004	80.5354	52.914	HCA2	4346	0	0	0	0.09	
-4349	C1	SLES	1	67.7034	79.1065	53.6631	CC32A	4346	4350	4351	4352	-0.01	
-4350	H1B	SLES	1	66.8958	79.1906	54.4226	HCA2	4349	0	0	0	0.09	
-4351	H1A	SLES	1	67.2566	79.222	52.6554	HCA2	4349	0	0	0	0.09	
-4352	O1	SLES	1	68.0122	77.6803	53.7794	OC30A	4349	4353	0	0	-0.34	
-4353	C1	SLES	1	67.2026	76.7954	52.9217	CTL2	4352	4354	4355	4356	-0.18	
-4354	H11	SLES	1	66.3857	77.4085	52.5	HAL2	4353	0	0	0	0.09	
-4355	H12	SLES	1	67.9239	76.5582	52.1126	HAL2	4353	0	0	0	0.09	
-4356	C2	SLES	1	66.6083	75.4584	53.5181	CTL2	4353	4357	4358	4359	-0.18	
-4357	H21	SLES	1	66.8766	75.3892	54.596	HAL2	4356	0	0	0	0.09	
-4358	H22	SLES	1	67.0694	74.5927	52.9942	HAL2	4356	0	0	0	0.09	
-4359	C3	SLES	1	65.0117	75.3747	53.3689	CTL2	4356	4360	4361	4362	-0.18	
-4360	H31	SLES	1	64.545	75.5855	54.3569	HAL2	4359	0	0	0	0.09	
-4361	H32	SLES	1	64.6736	76.1563	52.6597	HAL2	4359	0	0	0	0.09	
-4362	C4	SLES	1	64.5105	73.9618	52.8546	CTL2	4359	4363	4364	4365	-0.18	
-4363	H41	SLES	1	64.1151	73.3849	53.7166	HAL2	4362	0	0	0	0.09	
-4364	H42	SLES	1	65.3718	73.4003	52.433	HAL2	4362	0	0	0	0.09	
-4365	C5	SLES	1	63.3745	74.081	51.7409	CTL2	4362	4366	4367	4368	-0.18	
-4366	H51	SLES	1	62.9329	75.1012	51.7805	HAL2	4365	0	0	0	0.09	
-4367	H52	SLES	1	63.8364	73.9469	50.7361	HAL2	4365	0	0	0	0.09	
-4368	C6	SLES	1	62.2241	73.0202	51.9216	CTL2	4365	4369	4370	4371	-0.18	
-4369	H61	SLES	1	61.6072	73.301	52.8045	HAL2	4368	0	0	0	0.09	
-4370	H62	SLES	1	61.5658	73.0433	51.0218	HAL2	4368	0	0	0	0.09	
-4371	C7	SLES	1	62.7646	71.5686	52.1187	CTL2	4368	4372	4373	4374	-0.18	
-4372	H71	SLES	1	63.0668	71.4352	53.1811	HAL2	4371	0	0	0	0.09	
-4373	H72	SLES	1	63.668	71.4273	51.4844	HAL2	4371	0	0	0	0.09	
-4374	C8	SLES	1	61.7174	70.4872	51.7538	CTL2	4371	4375	4376	4377	-0.18	
-4375	H81	SLES	1	60.7395	70.757	52.2145	HAL2	4374	0	0	0	0.09	
-4376	H82	SLES	1	61.5835	70.4687	50.6482	HAL2	4374	0	0	0	0.09	
-4377	C9	SLES	1	62.1321	69.0748	52.2371	CTL2	4374	4378	4379	4380	-0.18	
-4378	H91	SLES	1	62.2946	69.1012	53.3386	HAL2	4377	0	0	0	0.09	
-4379	H92	SLES	1	63.0954	68.7945	51.7545	HAL2	4377	0	0	0	0.09	
-4380	C10	SLES	1	61.0713	67.9974	51.9097	CTL2	4377	4381	4382	4383	-0.18	
-4381	H10	SLES	1	60.1137	68.2655	52.4117	HAL2	4380	0	0	0	0.09	
-4382	H10	SLES	1	60.892	67.9857	50.8107	HAL2	4380	0	0	0	0.09	
-4383	C11	SLES	1	61.5036	66.5793	52.3678	CTL2	4380	4384	4385	4386	-0.18	
-4384	H11	SLES	1	61.6751	66.5945	53.4685	HAL2	4383	0	0	0	0.09	
-4385	H11	SLES	1	62.4704	66.3231	51.8773	HAL2	4383	0	0	0	0.09	
-4386	C12	SLES	1	60.4678	65.4733	52.0387	CTL3	4383	4387	4388	4389	-0.27	
-4387	H12	SLES	1	60.1306	64.9696	52.9714	HAL3	4386	0	0	0	0.09	
-4388	H12	SLES	1	60.9179	64.7098	51.3665	HAL3	4386	0	0	0	0.09	
-4389	H12	SLES	1	59.5806	65.9122	51.5323	HAL3	4386	0	0	0	0.09	
-4390	NA	SLES	1	64.1328	89.6495	56.3142	NA	0	0	0	0	1	
-4391	S	SLES	1	61.3908	89.5415	53.9017	SL	4392	4393	4394	4395	1.33	
-4392	OS1	SLES	1	62.0847	88.1895	54.6074	OSL	4391	4396	0	0	-0.28	
-4393	OS2	SLES	1	60.9081	90.3674	54.9891	O2L	4391	0	0	0	-0.65	
-4394	OS3	SLES	1	62.4591	90.2238	53.202	O2L	4391	0	0	0	-0.65	
-4395	OS4	SLES	1	60.3037	89.2498	52.981	O2L	4391	0	0	0	-0.65	
-4396	C2	SLES	1	61.2917	86.9715	54.279	CC32A	4392	4397	4398	4399	-0.11	
-4397	H2A	SLES	1	60.2162	87.1036	54.5841	HCA2	4396	0	0	0	0.09	
-4398	H2B	SLES	1	61.3372	86.8046	53.1672	HCA2	4396	0	0	0	0.09	
-4399	C1	SLES	1	61.9184	85.7097	55.0417	CC32A	4396	4400	4401	4402	-0.01	
-4400	H1B	SLES	1	61.9556	85.9092	56.1373	HCA2	4399	0	0	0	0.09	
-4401	H1A	SLES	1	62.9544	85.5212	54.6752	HCA2	4399	0	0	0	0.09	
-4402	O1	SLES	1	61.2571	84.3928	54.9636	OC30A	4399	4403	0	0	-0.34	
-4403	C2	SLES	1	60.3107	84.2083	53.8899	CC32A	4402	4404	4405	4406	-0.01	
-4404	H2A	SLES	1	59.5583	84.989	54.116	HCA2	4403	0	0	0	0.09	
-4405	H2B	SLES	1	60.8968	84.5227	52.9971	HCA2	4403	0	0	0	0.09	
-4406	C1	SLES	1	59.5857	82.8581	53.5921	CC32A	4403	4407	4408	4409	-0.01	
-4407	H1B	SLES	1	58.6233	82.8187	54.1474	HCA2	4406	0	0	0	0.09	
-4408	H1A	SLES	1	59.3724	82.789	52.5066	HCA2	4406	0	0	0	0.09	
-4409	O1	SLES	1	60.1395	81.5521	53.9532	OC30A	4406	4410	0	0	-0.34	
-4410	C1	SLES	1	59.7476	80.4418	53.0656	CTL2	4409	4411	4412	4413	-0.18	
-4411	H11	SLES	1	58.9454	80.8195	52.4061	HAL2	4410	0	0	0	0.09	
-4412	H12	SLES	1	60.6702	80.3091	52.4637	HAL2	4410	0	0	0	0.09	
-4413	C2	SLES	1	59.3124	79.0575	53.6906	CTL2	4410	4414	4415	4416	-0.18	
-4414	H21	SLES	1	59.3301	79.137	54.8006	HAL2	4413	0	0	0	0.09	
-4415	H22	SLES	1	60.0475	78.2788	53.3912	HAL2	4413	0	0	0	0.09	
-4416	C3	SLES	1	57.8451	78.6048	53.2209	CTL2	4413	4417	4418	4419	-0.18	
-4417	H31	SLES	1	57.1282	78.7835	54.0531	HAL2	4416	0	0	0	0.09	
-4418	H32	SLES	1	57.5314	79.2308	52.3619	HAL2	4416	0	0	0	0.09	
-4419	C4	SLES	1	57.7727	77.0788	52.7989	CTL2	4416	4420	4421	4422	-0.18	
-4420	H41	SLES	1	57.3117	76.4985	53.6253	HAL2	4419	0	0	0	0.09	
-4421	H42	SLES	1	58.8036	76.6937	52.6437	HAL2	4419	0	0	0	0.09	
-4422	C5	SLES	1	56.9277	76.8496	51.4652	CTL2	4419	4423	4424	4425	-0.18	
-4423	H51	SLES	1	56.2929	77.7439	51.2795	HAL2	4422	0	0	0	0.09	
-4424	H52	SLES	1	57.6285	76.7429	50.6059	HAL2	4422	0	0	0	0.09	
-4425	C6	SLES	1	56.0049	75.5749	51.5349	CTL2	4422	4426	4427	4428	-0.18	
-4426	H61	SLES	1	55.1554	75.7793	52.2247	HAL2	4425	0	0	0	0.09	
-4427	H62	SLES	1	55.5838	75.3771	50.5215	HAL2	4425	0	0	0	0.09	
-4428	C7	SLES	1	56.7654	74.3029	52.0264	CTL2	4425	4429	4430	4431	-0.18	
-4429	H71	SLES	1	56.8319	74.3264	53.1367	HAL2	4428	0	0	0	0.09	
-4430	H72	SLES	1	57.8012	74.3183	51.6199	HAL2	4428	0	0	0	0.09	
-4431	C8	SLES	1	56.072	72.9878	51.5916	CTL2	4428	4432	4433	4434	-0.18	
-4432	H81	SLES	1	54.9799	73.0664	51.7977	HAL2	4431	0	0	0	0.09	
-4433	H82	SLES	1	56.2062	72.8512	50.4943	HAL2	4431	0	0	0	0.09	
-4434	C9	SLES	1	56.6383	71.7484	52.329	CTL2	4431	4435	4436	4437	-0.18	
-4435	H91	SLES	1	56.5306	71.8988	53.4273	HAL2	4434	0	0	0	0.09	
-4436	H92	SLES	1	57.7237	71.6545	52.1	HAL2	4434	0	0	0	0.09	
-4437	C10	SLES	1	55.9224	70.4371	51.9272	CTL2	4434	4438	4439	4440	-0.18	
-4438	H10	SLES	1	54.8403	70.522	52.1778	HAL2	4437	0	0	0	0.09	
-4439	H10	SLES	1	56.0105	70.2974	50.826	HAL2	4437	0	0	0	0.09	
-4440	C11	SLES	1	56.5124	69.1941	52.6446	CTL2	4437	4441	4442	4443	-0.18	
-4441	H11	SLES	1	56.4157	69.3356	53.7454	HAL2	4440	0	0	0	0.09	
-4442	H11	SLES	1	57.5982	69.1238	52.4055	HAL2	4440	0	0	0	0.09	
-4443	C12	SLES	1	55.8264	67.8606	52.2501	CTL3	4440	4444	4445	4446	-0.27	
-4444	H12	SLES	1	55.3896	67.3703	53.1478	HAL3	4443	0	0	0	0.09	
-4445	H12	SLES	1	56.5652	67.1668	51.7916	HAL3	4443	0	0	0	0.09	
-4446	H12	SLES	1	55.0121	68.0464	51.5163	HAL3	4443	0	0	0	0.09	
-4447	NA	SLES	1	53.0317	92.1445	56.7402	NA	0	0	0	0	1	
-4448	S	SLES	1	51.0509	91.3916	53.7636	SL	4449	4450	4451	4452	1.33	
-4449	OS1	SLES	1	51.8151	90.2384	54.7089	OSL	4448	4453	0	0	-0.28	
-4450	OS2	SLES	1	50.1552	92.1129	54.6438	O2L	4448	0	0	0	-0.65	
-4451	OS3	SLES	1	52.0928	92.2775	53.288	O2L	4448	0	0	0	-0.65	
-4452	OS4	SLES	1	50.3085	90.851	52.6362	O2L	4448	0	0	0	-0.65	
-4453	C2	SLES	1	51.3978	88.8701	54.2918	CC32A	4449	4454	4455	4456	-0.11	
-4454	H2A	SLES	1	50.2772	88.7695	54.3244	HCA2	4453	0	0	0	0.09	
-4455	H2B	SLES	1	51.749	88.6956	53.2371	HCA2	4453	0	0	0	0.09	
-4456	C1	SLES	1	52.0657	87.7914	55.2699	CC32A	4453	4457	4458	4459	-0.01	
-4457	H1B	SLES	1	51.7902	88.0155	56.326	HCA2	4456	0	0	0	0.09	
-4458	H1A	SLES	1	53.1758	87.8271	55.1726	HCA2	4456	0	0	0	0.09	
-4459	O1	SLES	1	51.7322	86.3603	55.1335	OC30A	4456	4460	0	0	-0.34	
-4460	C2	SLES	1	51.1383	85.9521	53.8832	CC32A	4459	4461	4462	4463	-0.01	
-4461	H2A	SLES	1	50.2083	86.5534	53.8685	HCA2	4460	0	0	0	0.09	
-4462	H2B	SLES	1	51.8475	86.3697	53.1335	HCA2	4460	0	0	0	0.09	
-4463	C1	SLES	1	50.8054	84.4704	53.5214	CC32A	4460	4464	4465	4466	-0.01	
-4464	H1B	SLES	1	49.7658	84.2321	53.8355	HCA2	4463	0	0	0	0.09	
-4465	H1A	SLES	1	50.8846	84.335	52.4241	HCA2	4463	0	0	0	0.09	
-4466	O1	SLES	1	51.5121	83.3246	54.0964	OC30A	4463	4467	0	0	-0.34	
-4467	C1	SLES	1	51.5897	82.1384	53.2241	CTL2	4466	4468	4469	4470	-0.18	
-4468	H11	SLES	1	50.9138	82.3183	52.3685	HAL2	4467	0	0	0	0.09	
-4469	H12	SLES	1	52.6388	82.1992	52.8678	HAL2	4467	0	0	0	0.09	
-4470	C2	SLES	1	51.3113	80.7048	53.8273	CTL2	4467	4471	4472	4473	-0.18	
-4471	H21	SLES	1	51.0387	80.8079	54.9014	HAL2	4470	0	0	0	0.09	
-4472	H22	SLES	1	52.2427	80.1003	53.7668	HAL2	4470	0	0	0	0.09	
-4473	C3	SLES	1	50.1315	79.9327	53.0589	CTL2	4470	4474	4475	4476	-0.18	
-4474	H31	SLES	1	49.2111	79.9664	53.6835	HAL2	4473	0	0	0	0.09	
-4475	H32	SLES	1	49.9158	80.458	52.1072	HAL2	4473	0	0	0	0.09	
-4476	C4	SLES	1	50.4835	78.42	52.7432	CTL2	4473	4477	4478	4479	-0.18	
-4477	H41	SLES	1	49.9644	77.7691	53.4774	HAL2	4476	0	0	0	0.09	
-4478	H42	SLES	1	51.5776	78.267	52.8637	HAL2	4476	0	0	0	0.09	
-4479	C5	SLES	1	50.0589	77.9853	51.2682	CTL2	4476	4480	4481	4482	-0.18	
-4480	H51	SLES	1	49.3179	78.7152	50.8738	HAL2	4479	0	0	0	0.09	
-4481	H52	SLES	1	50.9558	78.0179	50.6083	HAL2	4479	0	0	0	0.09	
-4482	C6	SLES	1	49.4326	76.5411	51.2103	CTL2	4479	4483	4484	4485	-0.18	
-4483	H61	SLES	1	48.4163	76.568	51.6637	HAL2	4482	0	0	0	0.09	
-4484	H62	SLES	1	49.3241	76.2361	50.1432	HAL2	4482	0	0	0	0.09	
-4485	C7	SLES	1	50.2959	75.4763	51.9579	CTL2	4482	4486	4487	4488	-0.18	
-4486	H71	SLES	1	50.0811	75.5355	53.0479	HAL2	4485	0	0	0	0.09	
-4487	H72	SLES	1	51.3734	75.7103	51.807	HAL2	4485	0	0	0	0.09	
-4488	C8	SLES	1	50.0193	74.0331	51.4682	CTL2	4485	4489	4490	4491	-0.18	
-4489	H81	SLES	1	48.9183	73.8747	51.4048	HAL2	4488	0	0	0	0.09	
-4490	H82	SLES	1	50.4444	73.9078	50.4463	HAL2	4488	0	0	0	0.09	
-4491	C9	SLES	1	50.6315	72.9624	52.4059	CTL2	4488	4492	4493	4494	-0.18	
-4492	H91	SLES	1	50.2283	73.1071	53.434	HAL2	4491	0	0	0	0.09	
-4493	H92	SLES	1	51.735	73.104	52.4467	HAL2	4491	0	0	0	0.09	
-4494	C10	SLES	1	50.3246	71.5186	51.9426	CTL2	4491	4495	4496	4497	-0.18	
-4495	H10	SLES	1	49.2209	71.3694	51.9242	HAL2	4494	0	0	0	0.09	
-4496	H10	SLES	1	50.7078	71.3801	50.9063	HAL2	4494	0	0	0	0.09	
-4497	C11	SLES	1	50.965	70.4492	52.8668	CTL2	4494	4498	4499	4500	-0.18	
-4498	H11	SLES	1	50.5734	70.5876	53.9006	HAL2	4497	0	0	0	0.09	
-4499	H11	SLES	1	52.0664	70.6137	52.8962	HAL2	4497	0	0	0	0.09	
-4500	C12	SLES	1	50.6892	68.9904	52.4192	CTL3	4497	4501	4502	4503	-0.27	
-4501	H12	SLES	1	50.1567	68.434	53.2218	HAL3	4500	0	0	0	0.09	
-4502	H12	SLES	1	51.6455	68.4663	52.1992	HAL3	4500	0	0	0	0.09	
-4503	H12	SLES	1	50.0601	68.979	51.5027	HAL3	4500	0	0	0	0.09	
-4504	NA	SLES	1	41.5868	91.682	57.0356	NA	0	0	0	0	1	
-4505	S	SLES	1	40.5986	90.6538	53.6716	SL	4506	4507	4508	4509	1.33	
-4506	OS1	SLES	1	41.3399	89.6493	54.7891	OSL	4505	4510	0	0	-0.28	
-4507	OS2	SLES	1	39.3822	91.1317	54.2958	O2L	4505	0	0	0	-0.65	
-4508	OS3	SLES	1	41.509	91.7591	53.4573	O2L	4505	0	0	0	-0.65	
-4509	OS4	SLES	1	40.2866	90.0166	52.4023	O2L	4505	0	0	0	-0.65	
-4510	C2	SLES	1	41.341	88.2426	54.2977	CC32A	4506	4511	4512	4513	-0.11	
-4511	H2A	SLES	1	40.2947	87.9061	54.0544	HCA2	4510	0	0	0	0.09	
-4512	H2B	SLES	1	41.9669	88.1909	53.3641	HCA2	4510	0	0	0	0.09	
-4513	C1	SLES	1	41.9673	87.2891	55.4225	CC32A	4510	4514	4515	4516	-0.01	
-4514	H1B	SLES	1	41.4018	87.4051	56.3755	HCA2	4513	0	0	0	0.09	
-4515	H1A	SLES	1	43.0332	87.5626	55.6012	HCA2	4513	0	0	0	0.09	
-4516	O1	SLES	1	41.9929	85.8269	55.2245	OC30A	4513	4517	0	0	-0.34	
-4517	C2	SLES	1	41.8228	85.3555	53.8712	CC32A	4516	4518	4519	4520	-0.01	
-4518	H2A	SLES	1	40.8173	85.7468	53.621	HCA2	4517	0	0	0	0.09	
-4519	H2B	SLES	1	42.5858	85.9449	53.3145	HCA2	4517	0	0	0	0.09	
-4520	C1	SLES	1	41.9147	83.8535	53.4554	CC32A	4517	4521	4522	4523	-0.01	
-4521	H1B	SLES	1	40.9064	83.3879	53.5065	HCA2	4520	0	0	0	0.09	
-4522	H1A	SLES	1	42.2853	83.7844	52.4131	HCA2	4520	0	0	0	0.09	
-4523	O1	SLES	1	42.69	82.8598	54.1998	OC30A	4520	4524	0	0	-0.34	
-4524	C1	SLES	1	43.2306	81.7547	53.3872	CTL2	4523	4525	4526	4527	-0.18	
-4525	H11	SLES	1	42.7605	81.8236	52.3895	HAL2	4524	0	0	0	0.09	
-4526	H12	SLES	1	44.2964	82.0508	53.2996	HAL2	4524	0	0	0	0.09	
-4527	C2	SLES	1	43.1293	80.2705	53.9195	CTL2	4524	4528	4529	4530	-0.18	
-4528	H21	SLES	1	42.5883	80.2682	54.8922	HAL2	4527	0	0	0	0.09	
-4529	H22	SLES	1	44.155	79.8795	54.0972	HAL2	4527	0	0	0	0.09	
-4530	C3	SLES	1	42.3662	79.2996	52.8931	CTL2	4527	4531	4532	4533	-0.18	
-4531	H31	SLES	1	41.3366	79.1116	53.2712	HAL2	4530	0	0	0	0.09	
-4532	H32	SLES	1	42.2803	79.8071	51.9116	HAL2	4530	0	0	0	0.09	
-4533	C4	SLES	1	43.1014	77.9101	52.6912	CTL2	4530	4534	4535	4536	-0.18	
-4534	H41	SLES	1	42.572	77.1339	53.2822	HAL2	4533	0	0	0	0.09	
-4535	H42	SLES	1	44.1399	77.9869	53.0792	HAL2	4533	0	0	0	0.09	
-4536	C5	SLES	1	43.1517	77.4582	51.162	CTL2	4533	4537	4538	4539	-0.18	
-4537	H51	SLES	1	42.3895	78.0309	50.5889	HAL2	4536	0	0	0	0.09	
-4538	H52	SLES	1	44.1534	77.7074	50.7431	HAL2	4536	0	0	0	0.09	
-4539	C6	SLES	1	42.8842	75.918	50.9681	CTL2	4536	4540	4541	4542	-0.18	
-4540	H61	SLES	1	41.807	75.7104	51.1569	HAL2	4539	0	0	0	0.09	
-4541	H62	SLES	1	43.1064	75.6423	49.9107	HAL2	4539	0	0	0	0.09	
-4542	C7	SLES	1	43.7483	75.0292	51.9175	CTL2	4539	4543	4544	4545	-0.18	
-4543	H71	SLES	1	43.2675	74.9956	52.9203	HAL2	4542	0	0	0	0.09	
-4544	H72	SLES	1	44.7537	75.4917	52.034	HAL2	4542	0	0	0	0.09	
-4545	C8	SLES	1	43.9162	73.582	51.3912	CTL2	4542	4546	4547	4548	-0.18	
-4546	H81	SLES	1	42.9243	73.1974	51.0604	HAL2	4545	0	0	0	0.09	
-4547	H82	SLES	1	44.5936	73.5926	50.5071	HAL2	4545	0	0	0	0.09	
-4548	C9	SLES	1	44.4978	72.6263	52.4631	CTL2	4545	4549	4550	4551	-0.18	
-4549	H91	SLES	1	43.8356	72.639	53.3585	HAL2	4548	0	0	0	0.09	
-4550	H92	SLES	1	45.5012	72.9961	52.7728	HAL2	4548	0	0	0	0.09	
-4551	C10	SLES	1	44.6309	71.1712	51.955	CTL2	4548	4552	4553	4554	-0.18	
-4552	H10	SLES	1	43.6235	70.793	51.667	HAL2	4551	0	0	0	0.09	
-4553	H10	SLES	1	45.2749	71.1606	51.0466	HAL2	4551	0	0	0	0.09	
-4554	C11	SLES	1	45.2422	70.2232	53.0206	CTL2	4551	4555	4556	4557	-0.18	
-4555	H11	SLES	1	44.5909	70.232	53.9244	HAL2	4554	0	0	0	0.09	
-4556	H11	SLES	1	46.2414	70.6153	53.3185	HAL2	4554	0	0	0	0.09	
-4557	C12	SLES	1	45.4041	68.7593	52.5356	CTL3	4554	4558	4559	4560	-0.27	
-4558	H12	SLES	1	44.8251	68.0695	53.1885	HAL3	4557	0	0	0	0.09	
-4559	H12	SLES	1	46.4748	68.4589	52.5639	HAL3	4557	0	0	0	0.09	
-4560	H12	SLES	1	45.0341	68.6539	51.4925	HAL3	4557	0	0	0	0.09	
-4561	NA	SLES	1	30.6105	88.2493	57.1818	NA	0	0	0	0	1	
-4562	S	SLES	1	30.6579	87.3872	53.6315	SL	4563	4564	4565	4566	1.33	
-4563	OS1	SLES	1	31.3333	86.4473	54.843	OSL	4562	4567	0	0	-0.28	
-4564	OS2	SLES	1	29.2574	87.5409	53.9667	O2L	4562	0	0	0	-0.65	
-4565	OS3	SLES	1	31.324	88.6711	53.6991	O2L	4562	0	0	0	-0.65	
-4566	OS4	SLES	1	30.789	86.8317	52.2941	O2L	4562	0	0	0	-0.65	
-4567	C2	SLES	1	31.7576	85.1276	54.2965	CC32A	4563	4568	4569	4570	-0.11	
-4568	H2A	SLES	1	30.8946	84.611	53.7912	HCA2	4567	0	0	0	0.09	
-4569	H2B	SLES	1	32.5728	85.2997	53.5402	HCA2	4567	0	0	0	0.09	
-4570	C1	SLES	1	32.3109	84.2132	55.4898	CC32A	4567	4571	4572	4573	-0.01	
-4571	H1B	SLES	1	31.5344	84.1141	56.2828	HCA2	4570	0	0	0	0.09	
-4572	H1A	SLES	1	33.2211	84.6791	55.9342	HCA2	4570	0	0	0	0.09	
-4573	O1	SLES	1	32.7049	82.8147	55.2308	OC30A	4570	4574	0	0	-0.34	
-4574	C2	SLES	1	32.9526	82.4582	53.8546	CC32A	4573	4575	4576	4577	-0.01	
-4575	H2A	SLES	1	31.9679	82.6592	53.3889	HCA2	4574	0	0	0	0.09	
-4576	H2B	SLES	1	33.6705	83.2442	53.5288	HCA2	4574	0	0	0	0.09	
-4577	C1	SLES	1	33.4671	81.0566	53.3984	CC32A	4574	4578	4579	4580	-0.01	
-4578	H1B	SLES	1	32.6027	80.3922	53.1811	HCA2	4577	0	0	0	0.09	
-4579	H1A	SLES	1	34.0685	81.1706	52.4743	HCA2	4577	0	0	0	0.09	
-4580	O1	SLES	1	34.2563	80.172	54.2571	OC30A	4577	4581	0	0	-0.34	
-4581	C1	SLES	1	35.1976	79.2886	53.5446	CTL2	4580	4582	4583	4584	-0.18	
-4582	H11	SLES	1	34.9606	79.3608	52.4677	HAL2	4581	0	0	0	0.09	
-4583	H12	SLES	1	36.1625	79.8035	53.732	HAL2	4581	0	0	0	0.09	
-4584	C2	SLES	1	35.3118	77.7689	53.9616	CTL2	4581	4585	4586	4587	-0.18	
-4585	H21	SLES	1	34.5804	77.5577	54.7735	HAL2	4584	0	0	0	0.09	
-4586	H22	SLES	1	36.3319	77.5797	54.3618	HAL2	4584	0	0	0	0.09	
-4587	C3	SLES	1	35.0345	76.7717	52.7339	CTL2	4584	4588	4589	4590	-0.18	
-4588	H31	SLES	1	34.0145	76.3401	52.8423	HAL2	4587	0	0	0	0.09	
-4589	H32	SLES	1	35.0608	77.3478	51.7874	HAL2	4587	0	0	0	0.09	
-4590	C4	SLES	1	36.0864	75.5894	52.6459	CTL2	4587	4591	4592	4593	-0.18	
-4591	H41	SLES	1	35.6239	74.6656	53.052	HAL2	4590	0	0	0	0.09	
-4592	H42	SLES	1	36.9672	75.837	53.2766	HAL2	4590	0	0	0	0.09	
-4593	C5	SLES	1	36.5783	75.3146	51.1535	CTL2	4590	4594	4595	4596	-0.18	
-4594	H51	SLES	1	35.8568	75.7747	50.4428	HAL2	4593	0	0	0	0.09	
-4595	H52	SLES	1	37.5674	75.8042	51.0018	HAL2	4593	0	0	0	0.09	
-4596	C6	SLES	1	36.7106	73.78	50.8237	CTL2	4593	4597	4598	4599	-0.18	
-4597	H61	SLES	1	35.6924	73.3387	50.7362	HAL2	4596	0	0	0	0.09	
-4598	H62	SLES	1	37.2205	73.664	49.8388	HAL2	4596	0	0	0	0.09	
-4599	C7	SLES	1	37.5146	72.9948	51.9077	CTL2	4596	4600	4601	4602	-0.18	
-4600	H71	SLES	1	36.8405	72.7623	52.7618	HAL2	4599	0	0	0	0.09	
-4601	H72	SLES	1	38.3394	73.6386	52.2866	HAL2	4599	0	0	0	0.09	
-4602	C8	SLES	1	38.114	71.6733	51.3656	CTL2	4599	4603	4604	4605	-0.18	
-4603	H81	SLES	1	37.3328	71.1298	50.7862	HAL2	4602	0	0	0	0.09	
-4604	H82	SLES	1	38.953	71.9116	50.6729	HAL2	4602	0	0	0	0.09	
-4605	C9	SLES	1	38.6373	70.753	52.4968	CTL2	4602	4606	4607	4608	-0.18	
-4606	H91	SLES	1	37.8049	70.5394	53.2053	HAL2	4605	0	0	0	0.09	
-4607	H92	SLES	1	39.4373	71.2865	53.0578	HAL2	4605	0	0	0	0.09	
-4608	C10	SLES	1	39.2013	69.4148	51.9635	CTL2	4605	4609	4610	4611	-0.18	
-4609	H10	SLES	1	38.3944	68.87	51.4222	HAL2	4608	0	0	0	0.09	
-4610	H10	SLES	1	40.0188	69.6281	51.2381	HAL2	4608	0	0	0	0.09	
-4611	C11	SLES	1	39.7524	68.5087	53.0962	CTL2	4608	4612	4613	4614	-0.18	
-4612	H11	SLES	1	38.9294	68.2926	53.8153	HAL2	4611	0	0	0	0.09	
-4613	H11	SLES	1	40.5462	69.0643	53.6459	HAL2	4611	0	0	0	0.09	
-4614	C12	SLES	1	40.3405	67.1655	52.5918	CTL3	4611	4615	4616	4617	-0.27	
-4615	H12	SLES	1	39.7979	66.3095	53.0501	HAL3	4614	0	0	0	0.09	
-4616	H12	SLES	1	41.4167	67.0888	52.8627	HAL3	4614	0	0	0	0.09	
-4617	H12	SLES	1	40.2475	67.093	51.4863	HAL3	4614	0	0	0	0.09	
-4618	NA	SLES	1	20.8941	82.0706	57.1697	NA	0	0	0	0	1	
-4619	S	SLES	1	21.819	81.7925	53.6458	SL	4620	4621	4622	4623	1.33	
-4620	OS1	SLES	1	22.4439	80.831	54.8673	OSL	4619	4624	0	0	-0.28	
-4621	OS2	SLES	1	20.3825	81.6105	53.6773	O2L	4619	0	0	0	-0.65	
-4622	OS3	SLES	1	22.1501	83.1574	53.9982	O2L	4619	0	0	0	-0.65	
-4623	OS4	SLES	1	22.3279	81.4871	52.3183	O2L	4619	0	0	0	-0.65	
-4624	C2	SLES	1	23.2542	79.7226	54.2882	CC32A	4620	4625	4626	4627	-0.11	
-4625	H2A	SLES	1	22.645	79.1285	53.5513	HCA2	4624	0	0	0	0.09	
-4626	H2B	SLES	1	24.1389	80.1681	53.7544	HCA2	4624	0	0	0	0.09	
-4627	C1	SLES	1	23.7603	78.7641	55.4678	CC32A	4624	4628	4629	4630	-0.01	
-4628	H1B	SLES	1	22.8889	78.3914	56.0536	HCA2	4627	0	0	0	0.09	
-4629	H1A	SLES	1	24.4378	79.328	56.1506	HCA2	4627	0	0	0	0.09	
-4630	O1	SLES	1	24.5041	77.5292	55.152	OC30A	4627	4631	0	0	-0.34	
-4631	C2	SLES	1	25.0866	77.4455	53.8344	CC32A	4630	4632	4633	4634	-0.01	
-4632	H2A	SLES	1	24.1906	77.5155	53.187	HCA2	4631	0	0	0	0.09	
-4633	H2B	SLES	1	25.6561	78.3994	53.763	HCA2	4631	0	0	0	0.09	
-4634	C1	SLES	1	25.9842	76.2619	53.3539	CC32A	4631	4635	4636	4637	-0.01	
-4635	H1B	SLES	1	25.3518	75.4801	52.8797	HCA2	4634	0	0	0	0.09	
-4636	H1A	SLES	1	26.7103	76.6344	52.6038	HCA2	4634	0	0	0	0.09	
-4637	O1	SLES	1	26.7731	75.4308	54.2647	OC30A	4634	4638	0	0	-0.34	
-4638	C1	SLES	1	28.0097	74.8733	53.6865	CTL2	4637	4639	4640	4641	-0.18	
-4639	H11	SLES	1	27.9744	75.0618	52.5983	HAL2	4638	0	0	0	0.09	
-4640	H12	SLES	1	28.7777	75.535	54.1377	HAL2	4638	0	0	0	0.09	
-4641	C2	SLES	1	28.3838	73.3611	53.9508	CTL2	4638	4642	4643	4644	-0.18	
-4642	H21	SLES	1	27.5772	72.8859	54.5527	HAL2	4641	0	0	0	0.09	
-4643	H22	SLES	1	29.3234	73.3197	54.5439	HAL2	4641	0	0	0	0.09	
-4644	C3	SLES	1	28.5821	72.53	52.5913	CTL2	4641	4645	4646	4647	-0.18	
-4645	H31	SLES	1	27.6856	71.8923	52.4237	HAL2	4644	0	0	0	0.09	
-4646	H32	SLES	1	28.6586	73.2384	51.7425	HAL2	4644	0	0	0	0.09	
-4647	C4	SLES	1	29.8718	71.609	52.6104	CTL2	4644	4648	4649	4650	-0.18	
-4648	H41	SLES	1	29.562	70.5602	52.8011	HAL2	4647	0	0	0	0.09	
-4649	H42	SLES	1	30.535	71.9269	53.4435	HAL2	4647	0	0	0	0.09	
-4650	C5	SLES	1	30.6913	71.6709	51.2431	CTL2	4647	4651	4652	4653	-0.18	
-4651	H51	SLES	1	30.0348	72.0818	50.4446	HAL2	4650	0	0	0	0.09	
-4652	H52	SLES	1	31.5534	72.3653	51.3683	HAL2	4650	0	0	0	0.09	
-4653	C6	SLES	1	31.2298	70.2629	50.786	CTL2	4650	4654	4655	4656	-0.18	
-4654	H61	SLES	1	30.375	69.6464	50.4278	HAL2	4653	0	0	0	0.09	
-4655	H62	SLES	1	31.9326	70.404	49.9318	HAL2	4653	0	0	0	0.09	
-4656	C7	SLES	1	31.9669	69.4963	51.9292	CTL2	4653	4657	4658	4659	-0.18	
-4657	H71	SLES	1	31.2118	69.0054	52.5824	HAL2	4656	0	0	0	0.09	
-4658	H72	SLES	1	32.535	70.2254	52.5489	HAL2	4656	0	0	0	0.09	
-4659	C8	SLES	1	32.9438	68.4204	51.393	CTL2	4656	4660	4661	4662	-0.18	
-4660	H81	SLES	1	32.4333	67.828	50.5995	HAL2	4659	0	0	0	0.09	
-4661	H82	SLES	1	33.824	68.9249	50.9332	HAL2	4659	0	0	0	0.09	
-4662	C9	SLES	1	33.4347	67.4598	52.5051	CTL2	4659	4663	4664	4665	-0.18	
-4663	H91	SLES	1	32.5522	66.9781	52.9842	HAL2	4662	0	0	0	0.09	
-4664	H92	SLES	1	33.9692	68.0492	53.2838	HAL2	4662	0	0	0	0.09	
-4665	C10	SLES	1	34.3799	66.3593	51.9676	CTL2	4662	4666	4667	4668	-0.18	
-4666	H10	SLES	1	33.8377	65.7547	51.2052	HAL2	4665	0	0	0	0.09	
-4667	H10	SLES	1	35.2515	66.8404	51.4688	HAL2	4665	0	0	0	0.09	
-4668	C11	SLES	1	34.8938	65.4178	53.0889	CTL2	4665	4669	4670	4671	-0.18	
-4669	H11	SLES	1	34.0187	64.9339	53.5802	HAL2	4668	0	0	0	0.09	
-4670	H11	SLES	1	35.4194	66.0291	53.8577	HAL2	4668	0	0	0	0.09	
-4671	C12	SLES	1	35.8576	64.3128	52.5843	CTL3	4668	4672	4673	4674	-0.27	
-4672	H12	SLES	1	35.4459	63.3057	52.8154	HAL3	4671	0	0	0	0.09	
-4673	H12	SLES	1	36.8502	64.4114	53.0767	HAL3	4671	0	0	0	0.09	
-4674	H12	SLES	1	35.9982	64.3944	51.4845	HAL3	4671	0	0	0	0.09	
-4675	NA	SLES	1	13.1332	73.5903	57	NA	0	0	0	0	1	
-4676	S	SLES	1	14.6089	74.2008	53.7137	SL	4677	4678	4679	4680	1.33	
-4677	OS1	SLES	1	15.2491	73.1605	54.8604	OSL	4676	4681	0	0	-0.28	
-4678	OS2	SLES	1	13.2638	73.7356	53.4458	O2L	4676	0	0	0	-0.65	
-4679	OS3	SLES	1	14.5631	75.5074	54.336	O2L	4676	0	0	0	-0.65	
-4680	OS4	SLES	1	15.3652	74.2698	52.4736	O2L	4676	0	0	0	-0.65	
-4681	C2	SLES	1	16.368	72.3707	54.2733	CC32A	4677	4682	4683	4684	-0.11	
-4682	H2A	SLES	1	16.0269	71.8248	53.3498	HCA2	4681	0	0	0	0.09	
-4683	H2B	SLES	1	17.1965	73.0786	53.9932	HCA2	4681	0	0	0	0.09	
-4684	C1	SLES	1	16.8993	71.3179	55.3577	CC32A	4681	4685	4686	4687	-0.01	
-4685	H1B	SLES	1	16.0592	70.6721	55.7023	HCA2	4684	0	0	0	0.09	
-4686	H1A	SLES	1	17.321	71.8589	56.2367	HCA2	4684	0	0	0	0.09	
-4687	O1	SLES	1	17.9441	70.3415	54.9931	OC30A	4684	4688	0	0	-0.34	
-4688	C2	SLES	1	18.719	70.6361	53.8118	CC32A	4687	4689	4690	4691	-0.01	
-4689	H2A	SLES	1	17.9369	70.6536	53.0278	HCA2	4688	0	0	0	0.09	
-4690	H2B	SLES	1	19.0594	71.6788	54.0024	HCA2	4688	0	0	0	0.09	
-4691	C1	SLES	1	19.9245	69.7719	53.3247	CC32A	4688	4692	4693	4694	-0.01	
-4692	H1B	SLES	1	19.5651	68.9895	52.6214	HCA2	4691	0	0	0	0.09	
-4693	H1A	SLES	1	20.6491	70.4211	52.7936	HCA2	4691	0	0	0	0.09	
-4694	O1	SLES	1	20.7387	68.9505	54.222	OC30A	4691	4695	0	0	-0.34	
-4695	C1	SLES	1	22.1416	68.7738	53.804	CTL2	4694	4696	4697	4698	-0.18	
-4696	H11	SLES	1	22.2259	69.1623	52.773	HAL2	4695	0	0	0	0.09	
-4697	H12	SLES	1	22.6624	69.4722	54.4912	HAL2	4695	0	0	0	0.09	
-4698	C2	SLES	1	22.8082	67.3437	53.8878	CTL2	4695	4699	4700	4701	-0.18	
-4699	H21	SLES	1	22.0516	66.6092	54.2439	HAL2	4698	0	0	0	0.09	
-4700	H22	SLES	1	23.6339	67.3729	54.6321	HAL2	4698	0	0	0	0.09	
-4701	C3	SLES	1	23.3906	66.8528	52.4742	CTL2	4698	4702	4703	4704	-0.18	
-4702	H31	SLES	1	22.6987	66.0961	52.0416	HAL2	4701	0	0	0	0.09	
-4703	H32	SLES	1	23.4279	67.7155	51.7796	HAL2	4701	0	0	0	0.09	
-4704	C4	SLES	1	24.8393	66.2199	52.5868	CTL2	4701	4705	4706	4707	-0.18	
-4705	H41	SLES	1	24.7528	65.114	52.5455	HAL2	4704	0	0	0	0.09	
-4706	H42	SLES	1	25.2812	66.4922	53.5694	HAL2	4704	0	0	0	0.09	
-4707	C5	SLES	1	25.8163	66.711	51.4252	CTL2	4704	4708	4709	4710	-0.18	
-4708	H51	SLES	1	25.209	67.133	50.5943	HAL2	4707	0	0	0	0.09	
-4709	H52	SLES	1	26.4684	67.5236	51.8194	HAL2	4707	0	0	0	0.09	
-4710	C6	SLES	1	26.7241	65.5557	50.8574	CTL2	4707	4711	4712	4713	-0.18	
-4711	H61	SLES	1	26.0957	64.8651	50.2513	HAL2	4710	0	0	0	0.09	
-4712	H62	SLES	1	27.4946	65.9985	50.1839	HAL2	4710	0	0	0	0.09	
-4713	C7	SLES	1	27.4392	64.7401	51.9806	CTL2	4710	4714	4715	4716	-0.18	
-4714	H71	SLES	1	26.7281	63.9906	52.3935	HAL2	4713	0	0	0	0.09	
-4715	H72	SLES	1	27.7272	65.4305	52.8045	HAL2	4713	0	0	0	0.09	
-4716	C8	SLES	1	28.7046	64.006	51.4715	CTL2	4713	4717	4718	4719	-0.18	
-4717	H81	SLES	1	28.4665	63.4925	50.5119	HAL2	4716	0	0	0	0.09	
-4718	H82	SLES	1	29.5043	64.7552	51.2718	HAL2	4716	0	0	0	0.09	
-4719	C9	SLES	1	29.2318	62.9615	52.4873	CTL2	4716	4720	4721	4722	-0.18	
-4720	H91	SLES	1	28.4218	62.2299	52.709	HAL2	4719	0	0	0	0.09	
-4721	H92	SLES	1	29.4958	63.4797	53.4366	HAL2	4719	0	0	0	0.09	
-4722	C10	SLES	1	30.4725	62.1978	51.9671	CTL2	4719	4723	4724	4725	-0.18	
-4723	H10	SLES	1	30.2021	61.6602	51.0298	HAL2	4722	0	0	0	0.09	
-4724	H10	SLES	1	31.2751	62.9305	51.7242	HAL2	4722	0	0	0	0.09	
-4725	C11	SLES	1	31.0161	61.1744	52.9992	CTL2	4722	4726	4727	4728	-0.18	
-4726	H11	SLES	1	30.212	60.4398	53.2337	HAL2	4725	0	0	0	0.09	
-4727	H11	SLES	1	31.2681	61.7138	53.9407	HAL2	4725	0	0	0	0.09	
-4728	C12	SLES	1	32.2709	60.4036	52.5136	CTL3	4725	4729	4730	4731	-0.27	
-4729	H12	SLES	1	32.0708	59.3095	52.499	HAL3	4728	0	0	0	0.09	
-4730	H12	SLES	1	33.1304	60.5976	53.1927	HAL3	4728	0	0	0	0.09	
-4731	H12	SLES	1	32.5505	60.7265	51.4872	HAL3	4728	0	0	0	0.09	
-4732	NA	SLES	1	7.86282	63.4317	56.6833	NA	0	0	0	0	1	
-4733	S	SLES	1	9.466	65.0574	53.8307	SL	4734	4735	4736	4737	1.33	
-4734	OS1	SLES	1	10.2137	63.933	54.8228	OSL	4733	4738	0	0	-0.28	
-4735	OS2	SLES	1	8.29258	64.4057	53.2868	O2L	4733	0	0	0	-0.65	
-4736	OS3	SLES	1	9.06707	66.1515	54.6911	O2L	4733	0	0	0	-0.65	
-4737	OS4	SLES	1	10.3008	65.557	52.75	O2L	4733	0	0	0	-0.65	
-4738	C2	SLES	1	11.5326	63.5382	54.2528	CC32A	4734	4739	4740	4741	-0.11	
-4739	H2A	SLES	1	11.4128	63.1601	53.1994	HCA2	4738	0	0	0	0.09	
-4740	H2B	SLES	1	12.2021	64.4425	54.2417	HCA2	4738	0	0	0	0.09	
-4741	C1	SLES	1	12.1835	62.3944	55.1665	CC32A	4738	4742	4743	4744	-0.01	
-4742	H1B	SLES	1	11.4826	61.5324	55.2511	HCA2	4741	0	0	0	0.09	
-4743	H1A	SLES	1	12.3867	62.7941	56.1872	HCA2	4741	0	0	0	0.09	
-4744	O1	SLES	1	13.4518	61.7563	54.764	OC30A	4741	4745	0	0	-0.34	
-4745	C2	SLES	1	14.2481	62.4612	53.7885	CC32A	4744	4746	4747	4748	-0.01	
-4746	H2A	SLES	1	13.56	62.4998	52.9214	HCA2	4745	0	0	0	0.09	
-4747	H2B	SLES	1	14.324	63.4796	54.2318	HCA2	4745	0	0	0	0.09	
-4748	C1	SLES	1	15.6583	61.99	53.3127	CC32A	4745	4749	4750	4751	-0.01	
-4749	H1B	SLES	1	15.5535	61.3327	52.4222	HCA2	4748	0	0	0	0.09	
-4750	H1A	SLES	1	16.2641	62.8747	53.0316	HCA2	4748	0	0	0	0.09	
-4751	O1	SLES	1	16.5487	61.1659	54.1317	OC30A	4748	4752	0	0	-0.34	
-4752	C1	SLES	1	17.9883	61.3737	53.8897	CTL2	4751	4753	4754	4755	-0.18	
-4753	H11	SLES	1	18.0796	61.9956	52.9809	HAL2	4752	0	0	0	0.09	
-4754	H12	SLES	1	18.2701	61.987	54.7704	HAL2	4752	0	0	0	0.09	
-4755	C2	SLES	1	18.9502	60.1254	53.7767	CTL2	4752	4756	4757	4758	-0.18	
-4756	H21	SLES	1	18.3493	59.1928	53.8663	HAL2	4755	0	0	0	0.09	
-4757	H22	SLES	1	19.6737	60.149	54.6208	HAL2	4755	0	0	0	0.09	
-4758	C3	SLES	1	19.7596	60.0961	52.3901	CTL2	4755	4759	4760	4761	-0.18	
-4759	H31	SLES	1	19.301	59.3351	51.7201	HAL2	4758	0	0	0	0.09	
-4760	H32	SLES	1	19.6662	61.0839	51.8963	HAL2	4758	0	0	0	0.09	
-4761	C4	SLES	1	21.2966	59.7574	52.5766	CTL2	4758	4762	4763	4764	-0.18	
-4762	H41	SLES	1	21.467	58.6957	52.3011	HAL2	4761	0	0	0	0.09	
-4763	H42	SLES	1	21.5705	59.8816	53.6465	HAL2	4761	0	0	0	0.09	
-4764	C5	SLES	1	22.2424	60.6856	51.6884	CTL2	4761	4765	4766	4767	-0.18	
-4765	H51	SLES	1	21.6368	61.1554	50.8823	HAL2	4764	0	0	0	0.09	
-4766	H52	SLES	1	22.6535	61.5008	52.3268	HAL2	4764	0	0	0	0.09	
-4767	C6	SLES	1	23.4377	59.8958	51.0335	CTL2	4764	4768	4769	4770	-0.18	
-4768	H61	SLES	1	23.0421	59.25	50.2178	HAL2	4767	0	0	0	0.09	
-4769	H62	SLES	1	24.1481	60.6255	50.5793	HAL2	4767	0	0	0	0.09	
-4770	C7	SLES	1	24.2094	59.006	52.0587	CTL2	4767	4771	4772	4773	-0.18	
-4771	H71	SLES	1	23.6506	58.0554	52.2068	HAL2	4770	0	0	0	0.09	
-4772	H72	SLES	1	24.2544	59.5339	53.0373	HAL2	4770	0	0	0	0.09	
-4773	C8	SLES	1	25.6504	58.6758	51.5964	CTL2	4770	4774	4775	4776	-0.18	
-4774	H81	SLES	1	25.6265	58.3573	50.529	HAL2	4773	0	0	0	0.09	
-4775	H82	SLES	1	26.275	59.5953	51.6673	HAL2	4773	0	0	0	0.09	
-4776	C9	SLES	1	26.3018	57.5548	52.4446	CTL2	4773	4777	4778	4779	-0.18	
-4777	H91	SLES	1	25.6612	56.6449	52.3971	HAL2	4776	0	0	0	0.09	
-4778	H92	SLES	1	26.3507	57.8852	53.5065	HAL2	4776	0	0	0	0.09	
-4779	C10	SLES	1	27.7267	57.1939	51.9621	CTL2	4776	4780	4781	4782	-0.18	
-4780	H10	SLES	1	27.6748	56.8409	50.9068	HAL2	4779	0	0	0	0.09	
-4781	H10	SLES	1	28.3618	58.1081	51.9882	HAL2	4779	0	0	0	0.09	
-4782	C11	SLES	1	28.3876	56.0925	52.8326	CTL2	4779	4783	4784	4785	-0.18	
-4783	H11	SLES	1	27.7522	55.1781	52.7978	HAL2	4782	0	0	0	0.09	
-4784	H11	SLES	1	28.4208	56.4425	53.8897	HAL2	4782	0	0	0	0.09	
-4785	C12	SLES	1	29.8245	55.7198	52.3842	CTL3	4782	4786	4787	4788	-0.27	
-4786	H12	SLES	1	29.8795	54.6405	52.1208	HAL3	4785	0	0	0	0.09	
-4787	H12	SLES	1	30.5497	55.9221	53.2032	HAL3	4785	0	0	0	0.09	
-4788	H12	SLES	1	30.1195	56.3173	51.4942	HAL3	4785	0	0	0	0.09	
-4789	NA	SLES	1	5.41223	52.3349	56.2396	NA	0	0	0	0	1	
-4790	S	SLES	1	6.7157	54.9019	53.9897	SL	4791	4792	4793	4794	1.33	
-4791	OS1	SLES	1	7.65795	53.7481	54.7567	OSL	4790	4795	0	0	-0.28	
-4792	OS2	SLES	1	5.73478	54.1756	53.2101	O2L	4790	0	0	0	-0.65	
-4793	OS3	SLES	1	6.0553	55.6466	55.0413	O2L	4790	0	0	0	-0.65	
-4794	OS4	SLES	1	7.45686	55.811	53.1302	O2L	4790	0	0	0	-0.65	
-4795	C2	SLES	1	9.05062	53.7845	54.228	CC32A	4791	4796	4797	4798	-0.11	
-4796	H2A	SLES	1	9.05412	53.6588	53.1094	HCA2	4795	0	0	0	0.09	
-4797	H2B	SLES	1	9.50394	54.782	54.4841	HCA2	4795	0	0	0	0.09	
-4798	C1	SLES	1	9.90554	52.6116	54.9061	CC32A	4795	4799	4800	4801	-0.01	
-4799	H1B	SLES	1	9.40972	51.6298	54.7283	HCA2	4798	0	0	0	0.09	
-4800	H1A	SLES	1	9.97978	52.7831	56.0053	HCA2	4798	0	0	0	0.09	
-4801	O1	SLES	1	11.2967	52.3662	54.4792	OC30A	4798	4802	0	0	-0.34	
-4802	C2	SLES	1	11.9513	53.4362	53.7657	CC32A	4801	4803	4804	4805	-0.01	
-4803	H2A	SLES	1	11.3024	53.5429	52.8744	HCA2	4802	0	0	0	0.09	
-4804	H2B	SLES	1	11.7851	54.3087	54.4369	HCA2	4802	0	0	0	0.09	
-4805	C1	SLES	1	13.4466	53.3962	53.3185	CC32A	4802	4806	4807	4808	-0.01	
-4806	H1B	SLES	1	13.5206	52.969	52.2947	HCA2	4805	0	0	0	0.09	
-4807	H1A	SLES	1	13.8516	54.4279	53.303	HCA2	4805	0	0	0	0.09	
-4808	O1	SLES	1	14.4677	52.5986	53.9996	OC30A	4805	4809	0	0	-0.34	
-4809	C1	SLES	1	15.8335	53.1508	53.9382	CTL2	4808	4810	4811	4812	-0.18	
-4810	H11	SLES	1	15.8169	53.9808	53.2089	HAL2	4809	0	0	0	0.09	
-4811	H12	SLES	1	15.9421	53.5751	54.9577	HAL2	4809	0	0	0	0.09	
-4812	C2	SLES	1	17.0505	52.1934	53.6243	CTL2	4809	4813	4814	4815	-0.18	
-4813	H21	SLES	1	16.6676	51.1642	53.4437	HAL2	4812	0	0	0	0.09	
-4814	H22	SLES	1	17.721	52.1587	54.5107	HAL2	4812	0	0	0	0.09	
-4815	C3	SLES	1	17.8943	52.6708	52.3441	CTL2	4812	4816	4817	4818	-0.18	
-4816	H31	SLES	1	17.6387	52.0187	51.4794	HAL2	4815	0	0	0	0.09	
-4817	H32	SLES	1	17.6026	53.7082	52.0854	HAL2	4815	0	0	0	0.09	
-4818	C4	SLES	1	19.4607	52.6207	52.5805	CTL2	4815	4819	4820	4821	-0.18	
-4819	H41	SLES	1	19.8707	51.7169	52.0833	HAL2	4818	0	0	0	0.09	
-4820	H42	SLES	1	19.6629	52.5336	53.6698	HAL2	4818	0	0	0	0.09	
-4821	C5	SLES	1	20.2088	53.9118	52.0161	CTL2	4818	4822	4823	4824	-0.18	
-4822	H51	SLES	1	19.5429	54.4291	51.2906	HAL2	4821	0	0	0	0.09	
-4823	H52	SLES	1	20.4072	54.613	52.8587	HAL2	4821	0	0	0	0.09	
-4824	C6	SLES	1	21.571	53.5692	51.3032	CTL2	4821	4825	4826	4827	-0.18	
-4825	H61	SLES	1	21.3565	53.0749	50.3292	HAL2	4824	0	0	0	0.09	
-4826	H62	SLES	1	22.1183	54.5178	51.0932	HAL2	4824	0	0	0	0.09	
-4827	C7	SLES	1	22.4838	52.6346	52.1585	CTL2	4824	4828	4829	4830	-0.18	
-4828	H71	SLES	1	22.1437	51.5826	52.0341	HAL2	4827	0	0	0	0.09	
-4829	H72	SLES	1	22.377	52.9052	53.2327	HAL2	4827	0	0	0	0.09	
-4830	C8	SLES	1	23.9774	52.7312	51.7596	CTL2	4827	4831	4832	4833	-0.18	
-4831	H81	SLES	1	24.0617	52.685	50.6496	HAL2	4830	0	0	0	0.09	
-4832	H82	SLES	1	24.3808	53.7138	52.0948	HAL2	4830	0	0	0	0.09	
-4833	C9	SLES	1	24.8301	51.5958	52.3796	CTL2	4830	4834	4835	4836	-0.18	
-4834	H91	SLES	1	24.4082	50.6133	52.0679	HAL2	4833	0	0	0	0.09	
-4835	H92	SLES	1	24.7678	51.6598	53.4893	HAL2	4833	0	0	0	0.09	
-4836	C10	SLES	1	26.3155	51.6649	51.9527	CTL2	4833	4837	4838	4839	-0.18	
-4837	H10	SLES	1	26.3797	51.5773	50.8441	HAL2	4836	0	0	0	0.09	
-4838	H10	SLES	1	26.7319	52.6556	52.2442	HAL2	4836	0	0	0	0.09	
-4839	C11	SLES	1	27.1724	50.5447	52.5997	CTL2	4836	4840	4841	4842	-0.18	
-4840	H11	SLES	1	26.7561	49.5559	52.2997	HAL2	4839	0	0	0	0.09	
-4841	H11	SLES	1	27.0906	50.6253	53.7078	HAL2	4839	0	0	0	0.09	
-4842	C12	SLES	1	28.6708	50.5968	52.2042	CTL3	4839	4843	4844	4845	-0.27	
-4843	H12	SLES	1	28.9719	49.6496	51.7046	HAL3	4842	0	0	0	0.09	
-4844	H12	SLES	1	29.3044	50.7378	53.1076	HAL3	4842	0	0	0	0.09	
-4845	H12	SLES	1	28.8576	51.4409	51.5052	HAL3	4842	0	0	0	0.09	
-4846	NA	SLES	1	5.88454	41.0858	55.6968	NA	0	0	0	0	1	
-4847	S	SLES	1	6.54962	44.343	54.1806	SL	4848	4849	4850	4851	1.33	
-4848	OS1	SLES	1	7.73651	43.2648	54.6664	OSL	4847	4852	0	0	-0.28	
-4849	OS2	SLES	1	5.72558	43.638	53.2207	O2L	4847	0	0	0	-0.65	
-4850	OS3	SLES	1	5.77408	44.6487	55.3645	O2L	4847	0	0	0	-0.65	
-4851	OS4	SLES	1	7.05646	45.5716	53.5904	O2L	4847	0	0	0	-0.65	
-4852	C2	SLES	1	9.07465	43.7259	54.2004	CC32A	4848	4853	4854	4855	-0.11	
-4853	H2A	SLES	1	9.07485	43.8819	53.0856	HCA2	4852	0	0	0	0.09	
-4854	H2B	SLES	1	9.31151	44.7032	54.7052	HCA2	4852	0	0	0	0.09	
-4855	C1	SLES	1	10.178	42.6327	54.593	CC32A	4852	4856	4857	4858	-0.01	
-4856	H1B	SLES	1	9.89836	41.642	54.1666	HCA2	4855	0	0	0	0.09	
-4857	H1A	SLES	1	10.2434	42.5412	55.7023	HCA2	4855	0	0	0	0.09	
-4858	O1	SLES	1	11.5775	42.802	54.1565	OC30A	4855	4859	0	0	-0.34	
-4859	C2	SLES	1	11.9694	44.1284	53.7449	CC32A	4858	4860	4861	4862	-0.01	
-4860	H2A	SLES	1	11.289	44.3094	52.8899	HCA2	4859	0	0	0	0.09	
-4861	H2B	SLES	1	11.639	44.7536	54.6048	HCA2	4859	0	0	0	0.09	
-4862	C1	SLES	1	13.4262	44.5191	53.3419	CC32A	4859	4863	4864	4865	-0.01	
-4863	H1B	SLES	1	13.5621	44.3818	52.247	HCA2	4862	0	0	0	0.09	
-4864	H1A	SLES	1	13.6013	45.5849	53.5906	HCA2	4862	0	0	0	0.09	
-4865	O1	SLES	1	14.6119	43.8156	53.8338	OC30A	4862	4866	0	0	-0.34	
-4866	C1	SLES	1	15.8263	44.6442	53.9464	CTL2	4865	4867	4868	4869	-0.18	
-4867	H11	SLES	1	15.6135	45.6044	53.4426	HAL2	4866	0	0	0	0.09	
-4868	H12	SLES	1	15.8693	44.8186	55.0414	HAL2	4866	0	0	0	0.09	
-4869	C2	SLES	1	17.2107	44.0753	53.4402	CTL2	4866	4870	4871	4872	-0.18	
-4870	H21	SLES	1	17.0513	43.0644	53.0026	HAL2	4869	0	0	0	0.09	
-4871	H22	SLES	1	17.8967	43.9682	54.3088	HAL2	4869	0	0	0	0.09	
-4872	C3	SLES	1	17.8985	45.0205	52.3393	CTL2	4869	4873	4874	4875	-0.18	
-4873	H31	SLES	1	17.7647	44.5613	51.3345	HAL2	4872	0	0	0	0.09	
-4874	H32	SLES	1	17.3854	46.0028	52.3351	HAL2	4872	0	0	0	0.09	
-4875	C4	SLES	1	19.4454	45.2492	52.5982	CTL2	4872	4876	4877	4878	-0.18	
-4876	H41	SLES	1	20.0252	44.6038	51.9058	HAL2	4875	0	0	0	0.09	
-4877	H42	SLES	1	19.6906	44.943	53.6379	HAL2	4875	0	0	0	0.09	
-4878	C5	SLES	1	19.8855	46.7682	52.3878	CTL2	4875	4879	4880	4881	-0.18	
-4879	H51	SLES	1	19.1053	47.2932	51.7936	HAL2	4878	0	0	0	0.09	
-4880	H52	SLES	1	19.9523	47.2672	53.3816	HAL2	4878	0	0	0	0.09	
-4881	C6	SLES	1	21.2697	46.9094	51.6495	CTL2	4878	4882	4883	4884	-0.18	
-4882	H61	SLES	1	21.1394	46.635	50.5787	HAL2	4881	0	0	0	0.09	
-4883	H62	SLES	1	21.5962	47.9748	51.6933	HAL2	4881	0	0	0	0.09	
-4884	C7	SLES	1	22.3834	46.0106	52.2739	CTL2	4881	4885	4886	4887	-0.18	
-4885	H71	SLES	1	22.2724	44.9736	51.8862	HAL2	4884	0	0	0	0.09	
-4886	H72	SLES	1	22.2503	45.9804	53.3783	HAL2	4884	0	0	0	0.09	
-4887	C8	SLES	1	23.8108	46.5182	51.9511	CTL2	4884	4888	4889	4890	-0.18	
-4888	H81	SLES	1	23.8731	46.7646	50.8663	HAL2	4887	0	0	0	0.09	
-4889	H82	SLES	1	24.0042	47.4514	52.5277	HAL2	4887	0	0	0	0.09	
-4890	C9	SLES	1	24.9024	45.4744	52.2965	CTL2	4887	4891	4892	4893	-0.18	
-4891	H91	SLES	1	24.6915	44.5316	51.7423	HAL2	4890	0	0	0	0.09	
-4892	H92	SLES	1	24.8577	45.2496	53.386	HAL2	4890	0	0	0	0.09	
-4893	C10	SLES	1	26.3268	45.9612	51.9396	CTL2	4890	4894	4895	4896	-0.18	
-4894	H10	SLES	1	26.3784	46.1638	50.8455	HAL2	4893	0	0	0	0.09	
-4895	H10	SLES	1	26.5301	46.9155	52.4762	HAL2	4893	0	0	0	0.09	
-4896	C11	SLES	1	27.42	44.9259	52.3151	CTL2	4893	4897	4898	4899	-0.18	
-4897	H11	SLES	1	27.2163	43.9755	51.7708	HAL2	4896	0	0	0	0.09	
-4898	H11	SLES	1	27.3527	44.713	53.4065	HAL2	4896	0	0	0	0.09	
-4899	C12	SLES	1	28.8617	45.3917	51.9848	CTL3	4896	4900	4901	4902	-0.27	
-4900	H12	SLES	1	29.3443	44.6826	51.2766	HAL3	4899	0	0	0	0.09	
-4901	H12	SLES	1	29.4747	45.4388	52.9119	HAL3	4899	0	0	0	0.09	
-4902	H12	SLES	1	28.8453	46.4012	51.5194	HAL3	4899	0	0	0	0.09	
-4903	NA	SLES	1	9.16291	30.4442	55.0889	NA	0	0	0	0	1	
-4904	S	SLES	1	9.00884	34.0275	54.3914	SL	4905	4906	4907	4908	1.33	
-4905	OS1	SLES	1	10.4299	33.1556	54.5575	OSL	4904	4909	0	0	-0.28	
-4906	OS2	SLES	1	8.26724	33.399	53.3178	O2L	4904	0	0	0	-0.65	
-4907	OS3	SLES	1	8.29296	33.8728	55.6405	O2L	4904	0	0	0	-0.65	
-4908	OS4	SLES	1	9.19864	35.4398	54.1017	O2L	4904	0	0	0	-0.65	
-4909	C2	SLES	1	11.5988	33.9954	54.1717	CC32A	4905	4910	4911	4912	-0.11	
-4910	H2A	SLES	1	11.4699	34.4005	53.1294	HCA2	4909	0	0	0	0.09	
-4911	H2B	SLES	1	11.6724	34.8573	54.8913	HCA2	4909	0	0	0	0.09	
-4912	C1	SLES	1	12.9333	33.1124	54.2468	CC32A	4909	4913	4914	4915	-0.01	
-4913	H1B	SLES	1	12.8277	32.2102	53.6015	HCA2	4912	0	0	0	0.09	
-4914	H1A	SLES	1	13.1125	32.7842	55.2972	HCA2	4912	0	0	0	0.09	
-4915	O1	SLES	1	14.2247	33.6824	53.8162	OC30A	4912	4916	0	0	-0.34	
-4916	C2	SLES	1	14.2978	35.1209	53.7274	CC32A	4915	4917	4918	4919	-0.01	
-4917	H2A	SLES	1	13.523	35.3395	52.9667	HCA2	4916	0	0	0	0.09	
-4918	H2B	SLES	1	13.9219	35.442	54.7249	HCA2	4916	0	0	0	0.09	
-4919	C1	SLES	1	15.6024	35.9056	53.3813	CC32A	4916	4920	4921	4922	-0.01	
-4920	H1B	SLES	1	15.6678	36.0582	52.282	HCA2	4919	0	0	0	0.09	
-4921	H1A	SLES	1	15.5752	36.897	53.8764	HCA2	4919	0	0	0	0.09	
-4922	O1	SLES	1	16.9457	35.3872	53.6449	OC30A	4919	4923	0	0	-0.34	
-4923	C1	SLES	1	17.9686	36.4144	53.9139	CTL2	4922	4924	4925	4926	-0.18	
-4924	H11	SLES	1	17.5197	37.3936	53.6675	HAL2	4923	0	0	0	0.09	
-4925	H12	SLES	1	18.0698	36.3366	55.0161	HAL2	4923	0	0	0	0.09	
-4926	C2	SLES	1	19.391	36.2977	53.2361	CTL2	4923	4927	4928	4929	-0.18	
-4927	H21	SLES	1	19.4057	35.4055	52.5708	HAL2	4926	0	0	0	0.09	
-4928	H22	SLES	1	20.1573	36.1472	54.0277	HAL2	4926	0	0	0	0.09	
-4929	C3	SLES	1	19.7712	37.5993	52.3759	CTL2	4926	4930	4931	4932	-0.18	
-4930	H31	SLES	1	19.6479	37.3664	51.2947	HAL2	4929	0	0	0	0.09	
-4931	H32	SLES	1	19.0684	38.4179	52.6295	HAL2	4929	0	0	0	0.09	
-4932	C4	SLES	1	21.2543	38.0977	52.6285	CTL2	4929	4933	4934	4935	-0.18	
-4933	H41	SLES	1	21.8921	37.7738	51.7797	HAL2	4932	0	0	0	0.09	
-4934	H42	SLES	1	21.6468	37.6217	53.5528	HAL2	4932	0	0	0	0.09	
-4935	C5	SLES	1	21.3523	39.6828	52.7801	CTL2	4932	4936	4937	4938	-0.18	
-4936	H51	SLES	1	20.4321	40.1453	52.3597	HAL2	4935	0	0	0	0.09	
-4937	H52	SLES	1	21.4012	39.9411	53.8626	HAL2	4935	0	0	0	0.09	
-4938	C6	SLES	1	22.6083	40.2925	52.0507	CTL2	4935	4939	4940	4941	-0.18	
-4939	H61	SLES	1	22.4446	40.2508	50.9505	HAL2	4938	0	0	0	0.09	
-4940	H62	SLES	1	22.711	41.3641	52.3418	HAL2	4938	0	0	0	0.09	
-4941	C7	SLES	1	23.9331	39.5425	52.3974	CTL2	4938	4942	4943	4944	-0.18	
-4942	H71	SLES	1	24.0046	38.6247	51.7725	HAL2	4941	0	0	0	0.09	
-4943	H72	SLES	1	23.9056	39.2297	53.4651	HAL2	4941	0	0	0	0.09	
-4944	C8	SLES	1	25.1919	40.4131	52.1587	CTL2	4941	4945	4946	4947	-0.18	
-4945	H81	SLES	1	25.1075	40.9107	51.1654	HAL2	4944	0	0	0	0.09	
-4946	H82	SLES	1	25.2384	41.207	52.9385	HAL2	4944	0	0	0	0.09	
-4947	C9	SLES	1	26.5007	39.5851	52.2005	CTL2	4944	4948	4949	4950	-0.18	
-4948	H91	SLES	1	26.441	38.773	51.4407	HAL2	4947	0	0	0	0.09	
-4949	H92	SLES	1	26.5982	39.1108	53.203	HAL2	4947	0	0	0	0.09	
-4950	C10	SLES	1	27.7579	40.4431	51.9237	CTL2	4947	4951	4952	4953	-0.18	
-4951	H10	SLES	1	27.6713	40.899	50.9111	HAL2	4950	0	0	0	0.09	
-4952	H10	SLES	1	27.8062	41.2686	52.6696	HAL2	4950	0	0	0	0.09	
-4953	C11	SLES	1	29.0692	39.6167	51.9967	CTL2	4950	4954	4955	4956	-0.18	
-4954	H11	SLES	1	29.0189	38.7967	51.2443	HAL2	4953	0	0	0	0.09	
-4955	H11	SLES	1	29.1424	39.1483	53.0048	HAL2	4953	0	0	0	0.09	
-4956	C12	SLES	1	30.3498	40.4525	51.7399	CTL3	4953	4957	4958	4959	-0.27	
-4957	H12	SLES	1	30.9046	40.0505	50.8636	HAL3	4956	0	0	0	0.09	
-4958	H12	SLES	1	31.0182	40.4185	52.6285	HAL3	4956	0	0	0	0.09	
-4959	H12	SLES	1	30.0856	41.513	51.5358	HAL3	4956	0	0	0	0.09	
-4960	NA	SLES	1	14.9394	21.0831	54.4541	NA	0	0	0	0	1	
-4961	S	SLES	1	13.9738	24.6036	54.6089	SL	4962	4963	4964	4965	1.33	
-4962	OS1	SLES	1	15.5495	24.0608	54.437	OSL	4961	4966	0	0	-0.28	
-4963	OS2	SLES	1	13.2286	24.0536	53.4954	O2L	4961	0	0	0	-0.65	
-4964	OS3	SLES	1	13.4876	24.042	55.8519	O2L	4961	0	0	0	-0.65	
-4965	OS4	SLES	1	13.8339	26.0508	54.6318	O2L	4961	0	0	0	-0.65	
-4966	C2	SLES	1	16.4599	25.2035	54.1438	CC32A	4962	4967	4968	4969	-0.11	
-4967	H2A	SLES	1	16.1062	25.7708	53.2381	HCA2	4966	0	0	0	0.09	
-4968	H2B	SLES	1	16.4606	25.8962	55.0305	HCA2	4966	0	0	0	0.09	
-4969	C1	SLES	1	17.9411	24.6489	53.8893	CC32A	4966	4970	4971	4972	-0.01	
-4970	H1B	SLES	1	17.928	23.8955	53.0685	HCA2	4969	0	0	0	0.09	
-4971	H1A	SLES	1	18.3293	24.1647	54.8156	HCA2	4969	0	0	0	0.09	
-4972	O1	SLES	1	19.0179	25.5713	53.4797	OC30A	4969	4973	0	0	-0.34	
-4973	C2	SLES	1	18.7882	26.9765	53.7144	CC32A	4972	4974	4975	4976	-0.01	
-4974	H2A	SLES	1	17.8855	27.163	53.1002	HCA2	4973	0	0	0	0.09	
-4975	H2B	SLES	1	18.5007	26.9961	54.7897	HCA2	4973	0	0	0	0.09	
-4976	C1	SLES	1	19.8467	28.0894	53.4343	CC32A	4973	4977	4978	4979	-0.01	
-4977	H1B	SLES	1	19.7239	28.4715	52.3976	HCA2	4976	0	0	0	0.09	
-4978	H1A	SLES	1	19.6921	28.9279	54.1425	HCA2	4976	0	0	0	0.09	
-4979	O1	SLES	1	21.2902	27.8461	53.4447	OC30A	4976	4980	0	0	-0.34	
-4980	C1	SLES	1	22.1142	29.0022	53.8426	CTL2	4979	4981	4982	4983	-0.18	
-4981	H11	SLES	1	21.4481	29.8835	53.8693	HAL2	4980	0	0	0	0.09	
-4982	H12	SLES	1	22.3841	28.7285	54.8835	HAL2	4980	0	0	0	0.09	
-4983	C2	SLES	1	23.4206	29.3497	53.0247	CTL2	4980	4984	4985	4986	-0.18	
-4984	H21	SLES	1	23.5192	28.6372	52.1753	HAL2	4983	0	0	0	0.09	
-4985	H22	SLES	1	24.3057	29.2199	53.6851	HAL2	4983	0	0	0	0.09	
-4986	C3	SLES	1	23.4067	30.8497	52.4515	CTL2	4983	4987	4988	4989	-0.18	
-4987	H31	SLES	1	23.1806	30.8181	51.3624	HAL2	4986	0	0	0	0.09	
-4988	H32	SLES	1	22.5974	31.4195	52.9502	HAL2	4986	0	0	0	0.09	
-4989	C4	SLES	1	24.7805	31.6093	52.6697	CTL2	4986	4990	4991	4992	-0.18	
-4990	H41	SLES	1	25.3434	31.6163	51.713	HAL2	4989	0	0	0	0.09	
-4991	H42	SLES	1	25.3872	31.058	53.4199	HAL2	4989	0	0	0	0.09	
-4992	C5	SLES	1	24.5796	33.1113	53.1683	CTL2	4989	4993	4994	4995	-0.18	
-4993	H51	SLES	1	23.5353	33.4286	52.9532	HAL2	4992	0	0	0	0.09	
-4994	H52	SLES	1	24.7285	33.15	54.2716	HAL2	4992	0	0	0	0.09	
-4995	C6	SLES	1	25.5718	34.1238	52.4816	CTL2	4992	4996	4997	4998	-0.18	
-4996	H61	SLES	1	25.2656	34.2691	51.4213	HAL2	4995	0	0	0	0.09	
-4997	H62	SLES	1	25.498	35.1095	52.998	HAL2	4995	0	0	0	0.09	
-4998	C7	SLES	1	27.0555	33.6389	52.5215	CTL2	4995	4999	5000	5001	-0.18	
-4999	H71	SLES	1	27.22	32.9067	51.7001	HAL2	4998	0	0	0	0.09	
-5000	H72	SLES	1	27.2426	33.1191	53.4875	HAL2	4998	0	0	0	0.09	
-5001	C8	SLES	1	28.0676	34.8016	52.3694	CTL2	4998	5002	5003	5004	-0.18	
-5002	H81	SLES	1	27.7455	35.4572	51.5281	HAL2	5001	0	0	0	0.09	
-5003	H82	SLES	1	28.0642	35.4113	53.3015	HAL2	5001	0	0	0	0.09	
-5004	C9	SLES	1	29.5082	34.3004	52.0976	CTL2	5001	5005	5006	5007	-0.18	
-5005	H91	SLES	1	29.5053	33.6664	51.1819	HAL2	5004	0	0	0	0.09	
-5006	H92	SLES	1	29.8396	33.6681	52.9519	HAL2	5004	0	0	0	0.09	
-5007	C10	SLES	1	30.516	35.4584	51.9059	CTL2	5004	5008	5009	5010	-0.18	
-5008	H10	SLES	1	30.1973	36.0776	51.0365	HAL2	5007	0	0	0	0.09	
-5009	H10	SLES	1	30.5032	36.1053	52.8122	HAL2	5007	0	0	0	0.09	
-5010	C11	SLES	1	31.9631	34.953	51.6645	CTL2	5007	5011	5012	5013	-0.18	
-5011	H11	SLES	1	31.9719	34.312	50.7533	HAL2	5010	0	0	0	0.09	
-5012	H11	SLES	1	32.2705	34.3196	52.5278	HAL2	5010	0	0	0	0.09	
-5013	C12	SLES	1	33.0008	36.091	51.4849	CTL3	5010	5014	5015	5016	-0.27	
-5014	H12	SLES	1	33.495	36.0103	50.4916	HAL3	5013	0	0	0	0.09	
-5015	H12	SLES	1	33.7815	36.0305	52.2751	HAL3	5013	0	0	0	0.09	
-5016	H12	SLES	1	32.5033	37.083	51.5536	HAL3	5013	0	0	0	0.09	
-5017	NA	SLES	1	22.7597	13.5456	53.8324	NA	0	0	0	0	1	
-5018	S	SLES	1	21.163	16.6803	54.8194	SL	5019	5020	5021	5022	1.33	
-5019	OS1	SLES	1	22.7543	16.5471	54.3122	OSL	5018	5023	0	0	-0.28	
-5020	OS2	SLES	1	20.3462	16.1603	53.7424	O2L	5018	0	0	0	-0.65	
-5021	OS3	SLES	1	21.0393	15.8307	55.9853	O2L	5018	0	0	0	-0.65	
-5022	OS4	SLES	1	20.7463	18.0343	55.1475	O2L	5018	0	0	0	-0.65	
-5023	C2	SLES	1	23.3491	17.8995	54.1184	CC32A	5019	5024	5025	5026	-0.11	
-5024	H2A	SLES	1	22.7269	18.5085	53.4049	HCA2	5023	0	0	0	0.09	
-5025	H2B	SLES	1	23.3789	18.4227	55.1141	HCA2	5023	0	0	0	0.09	
-5026	C1	SLES	1	24.8364	17.7465	53.5429	CC32A	5023	5027	5028	5029	-0.01	
-5027	H1B	SLES	1	24.8189	17.1517	52.6009	HCA2	5026	0	0	0	0.09	
-5028	H1A	SLES	1	25.4792	17.2219	54.2876	HCA2	5026	0	0	0	0.09	
-5029	O1	SLES	1	25.6131	18.9441	53.1681	OC30A	5026	5030	0	0	-0.34	
-5030	C2	SLES	1	25.158	20.2033	53.7066	CC32A	5029	5031	5032	5033	-0.01	
-5031	H2A	SLES	1	24.1375	20.2743	53.2819	HCA2	5030	0	0	0	0.09	
-5032	H2B	SLES	1	25.0791	19.9839	54.7952	HCA2	5030	0	0	0	0.09	
-5033	C1	SLES	1	25.9038	21.5588	53.4976	CC32A	5030	5034	5035	5036	-0.01	
-5034	H1B	SLES	1	25.5158	22.0638	52.5864	HCA2	5033	0	0	0	0.09	
-5035	H1A	SLES	1	25.7218	22.2151	54.3721	HCA2	5033	0	0	0	0.09	
-5036	O1	SLES	1	27.3427	21.6536	53.2458	OC30A	5033	5037	0	0	-0.34	
-5037	C1	SLES	1	27.9814	22.8884	53.7371	CTL2	5036	5038	5039	5040	-0.18	
-5038	H11	SLES	1	27.1711	23.578	54.0354	HAL2	5037	0	0	0	0.09	
-5039	H12	SLES	1	28.4902	22.5204	54.6519	HAL2	5037	0	0	0	0.09	
-5040	C2	SLES	1	29.0163	23.6519	52.8193	CTL2	5037	5041	5042	5043	-0.18	
-5041	H21	SLES	1	29.093	23.1265	51.8411	HAL2	5040	0	0	0	0.09	
-5042	H22	SLES	1	30.0174	23.6239	53.3026	HAL2	5040	0	0	0	0.09	
-5043	C3	SLES	1	28.5987	25.1809	52.5615	CTL2	5040	5044	5045	5046	-0.18	
-5044	H31	SLES	1	28.1834	25.2735	51.5333	HAL2	5043	0	0	0	0.09	
-5045	H32	SLES	1	27.8008	25.4631	53.277	HAL2	5043	0	0	0	0.09	
-5046	C4	SLES	1	29.8111	26.1895	52.719	CTL2	5043	5047	5048	5049	-0.18	
-5047	H41	SLES	1	30.1721	26.4783	51.7098	HAL2	5046	0	0	0	0.09	
-5048	H42	SLES	1	30.6445	25.6786	53.2475	HAL2	5046	0	0	0	0.09	
-5049	C5	SLES	1	29.414	27.5059	53.528	CTL2	5046	5050	5051	5052	-0.18	
-5050	H51	SLES	1	28.3062	27.6063	53.5369	HAL2	5049	0	0	0	0.09	
-5051	H52	SLES	1	29.7564	27.4003	54.5828	HAL2	5049	0	0	0	0.09	
-5052	C6	SLES	1	30.0396	28.8151	52.915	CTL2	5049	5053	5054	5055	-0.18	
-5053	H61	SLES	1	29.5176	29.0545	51.9615	HAL2	5052	0	0	0	0.09	
-5054	H62	SLES	1	29.8704	29.6619	53.6206	HAL2	5052	0	0	0	0.09	
-5055	C7	SLES	1	31.5706	28.6824	52.6382	CTL2	5052	5056	5057	5058	-0.18	
-5056	H71	SLES	1	31.7199	28.1486	51.6735	HAL2	5055	0	0	0	0.09	
-5057	H72	SLES	1	32.0346	28.0713	53.4442	HAL2	5055	0	0	0	0.09	
-5058	C8	SLES	1	32.2859	30.0547	52.57	CTL2	5055	5059	5060	5061	-0.18	
-5059	H81	SLES	1	31.6886	30.7453	51.9316	HAL2	5058	0	0	0	0.09	
-5060	H82	SLES	1	32.3366	30.4899	53.594	HAL2	5058	0	0	0	0.09	
-5061	C9	SLES	1	33.7202	29.9464	51.9943	CTL2	5058	5062	5063	5064	-0.18	
-5062	H91	SLES	1	33.6713	29.4838	50.9823	HAL2	5061	0	0	0	0.09	
-5063	H92	SLES	1	34.3243	29.2782	52.6485	HAL2	5061	0	0	0	0.09	
-5064	C10	SLES	1	34.4248	31.3195	51.8874	CTL2	5061	5065	5066	5067	-0.18	
-5065	H10	SLES	1	33.8327	31.9806	51.2141	HAL2	5064	0	0	0	0.09	
-5066	H10	SLES	1	34.4543	31.7925	52.895	HAL2	5064	0	0	0	0.09	
-5067	C11	SLES	1	35.8718	31.2038	51.3393	CTL2	5064	5068	5069	5070	-0.18	
-5068	H11	SLES	1	35.8364	30.7365	50.3286	HAL2	5067	0	0	0	0.09	
-5069	H11	SLES	1	36.4548	30.5276	52.0056	HAL2	5067	0	0	0	0.09	
-5070	C12	SLES	1	36.6115	32.5627	51.2357	CTL3	5067	5071	5072	5073	-0.27	
-5071	H12	SLES	1	36.9168	32.7575	50.184	HAL3	5070	0	0	0	0.09	
-5072	H12	SLES	1	37.5226	32.5565	51.8739	HAL3	5070	0	0	0	0.09	
-5073	H12	SLES	1	35.9495	33.3904	51.5716	HAL3	5070	0	0	0	0.09	
-5074	NA	SLES	1	32.0739	8.22155	53.2628	NA	0	0	0	0	1	
-5075	S	SLES	1	30.1433	10.7852	55.0096	SL	5076	5077	5078	5079	1.33	
-5076	OS1	SLES	1	31.5767	11.073	54.1912	OSL	5075	5080	0	0	-0.28	
-5077	OS2	SLES	1	29.2289	10.2133	54.0431	O2L	5075	0	0	0	-0.65	
-5078	OS3	SLES	1	30.4527	9.80816	56.0325	O2L	5075	0	0	0	-0.65	
-5079	OS4	SLES	1	29.5484	11.9652	55.6164	O2L	5075	0	0	0	-0.65	
-5080	C2	SLES	1	31.8321	12.538	54.0971	CC32A	5076	5081	5082	5083	-0.11	
-5081	H2A	SLES	1	30.9588	13.0634	53.6193	HCA2	5080	0	0	0	0.09	
-5082	H2B	SLES	1	31.9767	12.9429	55.1369	HCA2	5080	0	0	0	0.09	
-5083	C1	SLES	1	33.1549	12.7905	53.2294	CC32A	5080	5084	5085	5086	-0.01	
-5084	H1B	SLES	1	33.0483	12.3132	52.2282	HCA2	5083	0	0	0	0.09	
-5085	H1A	SLES	1	34.038	12.3479	53.7465	HCA2	5083	0	0	0	0.09	
-5086	O1	SLES	1	33.5748	14.1666	52.9011	OC30A	5083	5087	0	0	-0.34	
-5087	C2	SLES	1	33.0086	15.2233	53.7045	CC32A	5086	5088	5089	5090	-0.01	
-5088	H2A	SLES	1	31.9263	15.1063	53.5004	HCA2	5087	0	0	0	0.09	
-5089	H2B	SLES	1	33.2179	14.8748	54.7409	HCA2	5087	0	0	0	0.09	
-5090	C1	SLES	1	33.4041	16.7273	53.5672	CC32A	5087	5091	5092	5093	-0.01	
-5091	H1B	SLES	1	32.7313	17.2269	52.8366	HCA2	5090	0	0	0	0.09	
-5092	H1A	SLES	1	33.2931	17.2261	54.5508	HCA2	5090	0	0	0	0.09	
-5093	O1	SLES	1	34.703	17.1734	53.0607	OC30A	5090	5094	0	0	-0.34	
-5094	C1	SLES	1	35.1754	18.4601	53.604	CTL2	5093	5095	5096	5097	-0.18	
-5095	H11	SLES	1	34.3305	18.911	54.1553	HAL2	5094	0	0	0	0.09	
-5096	H12	SLES	1	35.937	18.1202	54.3359	HAL2	5094	0	0	0	0.09	
-5097	C2	SLES	1	35.808	19.5339	52.6328	CTL2	5094	5098	5099	5100	-0.18	
-5098	H21	SLES	1	35.7694	19.1492	51.5892	HAL2	5097	0	0	0	0.09	
-5099	H22	SLES	1	36.8762	19.6817	52.9041	HAL2	5097	0	0	0	0.09	
-5100	C3	SLES	1	35.0475	20.9467	52.699	CTL2	5097	5101	5102	5103	-0.18	
-5101	H31	SLES	1	34.405	21.0537	51.7967	HAL2	5100	0	0	0	0.09	
-5102	H32	SLES	1	34.388	20.9607	53.5895	HAL2	5100	0	0	0	0.09	
-5103	C4	SLES	1	36.0387	22.1812	52.7735	CTL2	5100	5104	5105	5106	-0.18	
-5104	H41	SLES	1	36.1024	22.6524	51.7704	HAL2	5103	0	0	0	0.09	
-5105	H42	SLES	1	37.0532	21.8188	53.0464	HAL2	5103	0	0	0	0.09	
-5106	C5	SLES	1	35.5764	23.277	53.8367	CTL2	5103	5107	5108	5109	-0.18	
-5107	H51	SLES	1	34.5009	23.1214	54.0741	HAL2	5106	0	0	0	0.09	
-5108	H52	SLES	1	36.1578	23.138	54.7768	HAL2	5106	0	0	0	0.09	
-5109	C6	SLES	1	35.777	24.7528	53.3239	CTL2	5106	5110	5111	5112	-0.18	
-5110	H61	SLES	1	35.0199	24.9695	52.5371	HAL2	5109	0	0	0	0.09	
-5111	H62	SLES	1	35.6029	25.4571	54.1707	HAL2	5109	0	0	0	0.09	
-5112	C7	SLES	1	37.2037	25.0023	52.7403	CTL2	5109	5113	5114	5115	-0.18	
-5113	H71	SLES	1	37.239	24.6245	51.6945	HAL2	5112	0	0	0	0.09	
-5114	H72	SLES	1	37.9468	24.4288	53.338	HAL2	5112	0	0	0	0.09	
-5115	C8	SLES	1	37.5979	26.5003	52.7478	CTL2	5112	5116	5117	5118	-0.18	
-5116	H81	SLES	1	36.7487	27.1024	52.3505	HAL2	5115	0	0	0	0.09	
-5117	H82	SLES	1	37.7862	26.8218	53.7975	HAL2	5115	0	0	0	0.09	
-5118	C9	SLES	1	38.8612	26.784	51.897	CTL2	5115	5119	5120	5121	-0.18	
-5119	H91	SLES	1	38.6827	26.4352	50.8545	HAL2	5118	0	0	0	0.09	
-5120	H92	SLES	1	39.7159	26.2036	52.3118	HAL2	5118	0	0	0	0.09	
-5121	C10	SLES	1	39.2365	28.2846	51.8692	CTL2	5118	5122	5123	5124	-0.18	
-5122	H10	SLES	1	38.3905	28.863	51.4326	HAL2	5121	0	0	0	0.09	
-5123	H10	SLES	1	39.3934	28.6396	52.9129	HAL2	5121	0	0	0	0.09	
-5124	C11	SLES	1	40.5196	28.5611	51.0416	CTL2	5121	5125	5126	5127	-0.18	
-5125	H11	SLES	1	40.3552	28.2106	49.9969	HAL2	5124	0	0	0	0.09	
-5126	H11	SLES	1	41.3583	27.9667	51.4709	HAL2	5124	0	0	0	0.09	
-5127	C12	SLES	1	40.9319	30.0555	51.0081	CTL3	5124	5128	5129	5130	-0.27	
-5128	H12	SLES	1	40.9517	30.4276	49.96	HAL3	5127	0	0	0	0.09	
-5129	H12	SLES	1	41.9442	30.1872	51.4501	HAL3	5127	0	0	0	0.09	
-5130	H12	SLES	1	40.2093	30.6695	51.5885	HAL3	5127	0	0	0	0.09	
-5131	NA	SLES	1	42.286	5.34414	52.7811	NA	0	0	0	0	1	
-5132	S	SLES	1	40.3527	7.32333	55.1677	SL	5133	5134	5135	5136	1.33	
-5133	OS1	SLES	1	41.4562	7.96333	54.0814	OSL	5132	5137	0	0	-0.28	
-5134	OS2	SLES	1	39.3686	6.61173	54.3787	O2L	5132	0	0	0	-0.65	
-5135	OS3	SLES	1	41.0927	6.38947	55.9905	O2L	5132	0	0	0	-0.65	
-5136	OS4	SLES	1	39.6939	8.30954	56.009	O2L	5132	0	0	0	-0.65	
-5137	C2	SLES	1	41.3766	9.4513	54.0812	CC32A	5133	5138	5139	5140	-0.11	
-5138	H2A	SLES	1	40.3254	9.79272	53.8677	HCA2	5137	0	0	0	0.09	
-5139	H2B	SLES	1	41.6821	9.82548	55.0974	HCA2	5137	0	0	0	0.09	
-5140	C1	SLES	1	42.3705	10.0348	52.9685	CC32A	5137	5141	5142	5143	-0.01	
-5141	H1B	SLES	1	42.1251	9.59665	51.9738	HCA2	5140	0	0	0	0.09	
-5142	H1A	SLES	1	43.4235	9.77428	53.2263	HCA2	5140	0	0	0	0.09	
-5143	O1	SLES	1	42.4085	11.4846	52.6953	OC30A	5140	5144	0	0	-0.34	
-5144	C2	SLES	1	41.8496	12.3472	53.7083	CC32A	5143	5145	5146	5147	-0.01	
-5145	H2A	SLES	1	40.7974	12.0029	53.742	HCA2	5144	0	0	0	0.09	
-5146	H2B	SLES	1	42.3696	12.0024	54.6303	HCA2	5144	0	0	0	0.09	
-5147	C1	SLES	1	41.8846	13.9065	53.6386	CC32A	5144	5148	5149	5150	-0.01	
-5148	H1B	SLES	1	40.9679	14.2799	53.1325	HCA2	5147	0	0	0	0.09	
-5149	H1A	SLES	1	41.9149	14.318	54.6674	HCA2	5147	0	0	0	0.09	
-5150	O1	SLES	1	42.9034	14.6551	52.9009	OC30A	5147	5151	0	0	-0.34	
-5151	C1	SLES	1	43.22	15.9857	53.4516	CTL2	5150	5152	5153	5154	-0.18	
-5152	H11	SLES	1	42.4595	16.2091	54.2215	HAL2	5151	0	0	0	0.09	
-5153	H12	SLES	1	44.1886	15.7873	53.9553	HAL2	5151	0	0	0	0.09	
-5154	C2	SLES	1	43.3663	17.2206	52.477	CTL2	5151	5155	5156	5157	-0.18	
-5155	H21	SLES	1	43.1564	16.8898	51.4353	HAL2	5154	0	0	0	0.09	
-5156	H22	SLES	1	44.4151	17.5884	52.5147	HAL2	5154	0	0	0	0.09	
-5157	C3	SLES	1	42.3724	18.4238	52.8552	CTL2	5154	5158	5159	5160	-0.18	
-5158	H31	SLES	1	41.5232	18.4304	52.1361	HAL2	5157	0	0	0	0.09	
-5159	H32	SLES	1	41.9588	18.2461	53.8679	HAL2	5157	0	0	0	0.09	
-5160	C4	SLES	1	43.0787	19.8424	52.8296	CTL2	5157	5161	5162	5163	-0.18	
-5161	H41	SLES	1	42.8007	20.3657	51.891	HAL2	5160	0	0	0	0.09	
-5162	H42	SLES	1	44.181	19.7014	52.8294	HAL2	5160	0	0	0	0.09	
-5163	C5	SLES	1	42.673	20.7532	54.075	CTL2	5160	5164	5165	5166	-0.18	
-5164	H51	SLES	1	41.7417	20.3507	54.5311	HAL2	5163	0	0	0	0.09	
-5165	H52	SLES	1	43.48	20.7	54.8412	HAL2	5163	0	0	0	0.09	
-5166	C6	SLES	1	42.4381	22.2605	53.6823	CTL2	5163	5167	5168	5169	-0.18	
-5167	H61	SLES	1	41.4857	22.3427	53.1121	HAL2	5166	0	0	0	0.09	
-5168	H62	SLES	1	42.3336	22.8651	54.6135	HAL2	5166	0	0	0	0.09	
-5169	C7	SLES	1	43.5998	22.85	52.8214	CTL2	5166	5170	5171	5172	-0.18	
-5170	H71	SLES	1	43.4579	22.5425	51.7616	HAL2	5169	0	0	0	0.09	
-5171	H72	SLES	1	44.5662	22.4268	53.1754	HAL2	5169	0	0	0	0.09	
-5172	C8	SLES	1	43.6696	24.3958	52.8918	CTL2	5169	5173	5174	5175	-0.18	
-5173	H81	SLES	1	42.6452	24.8131	52.7586	HAL2	5172	0	0	0	0.09	
-5174	H82	SLES	1	44.0361	24.698	53.8992	HAL2	5172	0	0	0	0.09	
-5175	C9	SLES	1	44.6048	24.9957	51.8119	CTL2	5172	5176	5177	5178	-0.18	
-5176	H91	SLES	1	44.255	24.6687	50.8064	HAL2	5175	0	0	0	0.09	
-5177	H92	SLES	1	45.6343	24.5997	51.9629	HAL2	5175	0	0	0	0.09	
-5178	C10	SLES	1	44.6477	26.5416	51.8526	CTL2	5175	5179	5180	5181	-0.18	
-5179	H10	SLES	1	43.6216	26.9386	51.6783	HAL2	5178	0	0	0	0.09	
-5180	H10	SLES	1	44.9761	26.8697	52.8648	HAL2	5178	0	0	0	0.09	
-5181	C11	SLES	1	45.6087	27.1376	50.7901	CTL2	5178	5182	5183	5184	-0.18	
-5182	H11	SLES	1	45.2721	26.8122	49.7791	HAL2	5181	0	0	0	0.09	
-5183	H11	SLES	1	46.6294	26.7239	50.9573	HAL2	5181	0	0	0	0.09	
-5184	C12	SLES	1	45.6866	28.686	50.8163	CTL3	5181	5185	5186	5187	-0.27	
-5185	H12	SLES	1	45.3764	29.1054	49.8339	HAL3	5184	0	0	0	0.09	
-5186	H12	SLES	1	46.7268	29.0171	51.0304	HAL3	5184	0	0	0	0.09	
-5187	H12	SLES	1	45.0158	29.0941	51.6035	HAL3	5184	0	0	0	0.09	
-5188	NA	SLES	1	52.7936	5	52.4176	NA	0	0	0	0	1	
-5189	S	SLES	1	51.1346	6.54388	55.2837	SL	5190	5191	5192	5193	1.33	
-5190	OS1	SLES	1	51.7755	7.39391	53.9898	OSL	5189	5194	0	0	-0.28	
-5191	OS2	SLES	1	50.1598	5.6282	54.7281	O2L	5189	0	0	0	-0.65	
-5192	OS3	SLES	1	52.2346	5.80062	55.8619	O2L	5189	0	0	0	-0.65	
-5193	OS4	SLES	1	50.5103	7.37474	56.3007	O2L	5189	0	0	0	-0.65	
-5194	C2	SLES	1	51.3857	8.82979	54.0718	CC32A	5190	5195	5196	5197	-0.11	
-5195	H2A	SLES	1	50.2667	8.93453	54.1347	HCA2	5194	0	0	0	0.09	
-5196	H2B	SLES	1	51.8459	9.27254	54.9982	HCA2	5194	0	0	0	0.09	
-5197	C1	SLES	1	51.9284	9.60078	52.7766	CC32A	5194	5198	5199	5200	-0.01	
-5198	H1B	SLES	1	51.5439	9.10874	51.8538	HCA2	5197	0	0	0	0.09	
-5199	H1A	SLES	1	53.043	9.57593	52.7596	HCA2	5197	0	0	0	0.09	
-5200	O1	SLES	1	51.5907	11.0215	52.5638	OC30A	5197	5201	0	0	-0.34	
-5201	C2	SLES	1	51.1292	11.7552	53.7177	CC32A	5200	5202	5203	5204	-0.01	
-5202	H2A	SLES	1	50.2151	11.1929	53.9915	HCA2	5201	0	0	0	0.09	
-5203	H2B	SLES	1	51.9211	11.5409	54.4703	HCA2	5201	0	0	0	0.09	
-5204	C1	SLES	1	50.8156	13.2845	53.7075	CC32A	5201	5205	5206	5207	-0.01	
-5205	H1B	SLES	1	49.7449	13.4462	53.4555	HCA2	5204	0	0	0	0.09	
-5206	H1A	SLES	1	51.0107	13.7047	54.7145	HCA2	5204	0	0	0	0.09	
-5207	O1	SLES	1	51.4394	14.2264	52.7766	OC30A	5204	5208	0	0	-0.34	
-5208	C1	SLES	1	51.5933	15.6002	53.2896	CTL2	5207	5209	5210	5211	-0.18	
-5209	H11	SLES	1	51.0163	15.6634	54.2299	HAL2	5208	0	0	0	0.09	
-5210	H12	SLES	1	52.6754	15.6207	53.534	HAL2	5208	0	0	0	0.09	
-5211	C2	SLES	1	51.2306	16.8264	52.3616	CTL2	5208	5212	5213	5214	-0.18	
-5212	H21	SLES	1	50.8453	16.4463	51.3891	HAL2	5211	0	0	0	0.09	
-5213	H22	SLES	1	52.1541	17.4117	52.1589	HAL2	5211	0	0	0	0.09	
-5214	C3	SLES	1	50.1294	17.7918	53.0204	CTL2	5211	5215	5216	5217	-0.18	
-5215	H31	SLES	1	49.1476	17.6072	52.5301	HAL2	5214	0	0	0	0.09	
-5216	H32	SLES	1	50.0252	17.5408	54.0948	HAL2	5214	0	0	0	0.09	
-5217	C4	SLES	1	50.4913	19.3288	52.8839	CTL2	5214	5218	5219	5220	-0.18	
-5218	H41	SLES	1	49.8865	19.7692	52.0639	HAL2	5217	0	0	0	0.09	
-5219	H42	SLES	1	51.5636	19.4283	52.6099	HAL2	5217	0	0	0	0.09	
-5220	C5	SLES	1	50.2219	20.1451	54.2278	CTL2	5217	5221	5222	5223	-0.18	
-5221	H51	SLES	1	49.5384	19.5568	54.8791	HAL2	5220	0	0	0	0.09	
-5222	H52	SLES	1	51.1851	20.2755	54.772	HAL2	5220	0	0	0	0.09	
-5223	C6	SLES	1	49.5844	21.5619	53.968	CTL2	5220	5224	5225	5226	-0.18	
-5224	H61	SLES	1	48.5257	21.4306	53.6502	HAL2	5223	0	0	0	0.09	
-5225	H62	SLES	1	49.5872	22.1404	54.9213	HAL2	5223	0	0	0	0.09	
-5226	C7	SLES	1	50.3465	22.3777	52.8763	CTL2	5223	5227	5228	5229	-0.18	
-5227	H71	SLES	1	50.0163	22.0348	51.8707	HAL2	5226	0	0	0	0.09	
-5228	H72	SLES	1	51.4372	22.1764	52.9667	HAL2	5226	0	0	0	0.09	
-5229	C8	SLES	1	50.1032	23.903	52.9927	CTL2	5226	5230	5231	5232	-0.18	
-5230	H81	SLES	1	49.0133	24.0886	53.1302	HAL2	5229	0	0	0	0.09	
-5231	H82	SLES	1	50.6342	24.2885	53.8928	HAL2	5229	0	0	0	0.09	
-5232	C9	SLES	1	50.595	24.6777	51.7443	CTL2	5229	5233	5234	5235	-0.18	
-5233	H91	SLES	1	50.0856	24.2716	50.8411	HAL2	5232	0	0	0	0.09	
-5234	H92	SLES	1	51.6896	24.5143	51.6238	HAL2	5232	0	0	0	0.09	
-5235	C10	SLES	1	50.3189	26.197	51.8387	CTL2	5232	5236	5237	5238	-0.18	
-5236	H10	SLES	1	49.2215	26.3618	51.9357	HAL2	5235	0	0	0	0.09	
-5237	H10	SLES	1	50.8095	26.5996	52.7536	HAL2	5235	0	0	0	0.09	
-5238	C11	SLES	1	50.8402	26.9737	50.6006	CTL2	5235	5239	5240	5241	-0.18	
-5239	H11	SLES	1	50.3415	26.5719	49.6889	HAL2	5238	0	0	0	0.09	
-5240	H11	SLES	1	51.9343	26.7912	50.4972	HAL2	5238	0	0	0	0.09	
-5241	C12	SLES	1	50.5931	28.5028	50.6724	CTL3	5238	5242	5243	5244	-0.27	
-5242	H12	SLES	1	49.969	28.8343	49.8134	HAL3	5241	0	0	0	0.09	
-5243	H12	SLES	1	51.5597	29.0524	50.6412	HAL3	5241	0	0	0	0.09	
-5244	H12	SLES	1	50.0663	28.7659	51.6155	HAL3	5241	0	0	0	0.09	
-5245	NA	SLES	1	63.0165	7.14724	52.195	NA	0	0	0	0	1	
-5246	S	SLES	1	61.7833	8.51626	55.3502	SL	5247	5248	5249	5250	1.33	
-5247	OS1	SLES	1	61.899	9.38496	53.9222	OSL	5246	5251	0	0	-0.28	
-5248	OS2	SLES	1	60.9298	7.38042	55.0693	O2L	5246	0	0	0	-0.65	
-5249	OS3	SLES	1	63.1238	8.06134	55.6547	O2L	5246	0	0	0	-0.65	
-5250	OS4	SLES	1	61.25	9.27074	56.4731	O2L	5246	0	0	0	-0.65	
-5251	C2	SLES	1	61.2348	10.7107	54.0694	CC32A	5247	5252	5253	5254	-0.11	
-5252	H2A	SLES	1	60.1672	10.5852	54.4034	HCA2	5251	0	0	0	0.09	
-5253	H2B	SLES	1	61.792	11.3052	54.8454	HCA2	5251	0	0	0	0.09	
-5254	C1	SLES	1	61.2745	11.4818	52.6657	CC32A	5251	5255	5256	5257	-0.01	
-5255	H1B	SLES	1	60.8006	10.8553	51.8756	HCA2	5254	0	0	0	0.09	
-5256	H1A	SLES	1	62.3312	11.6877	52.3757	HCA2	5254	0	0	0	0.09	
-5257	O1	SLES	1	60.5935	12.7823	52.5148	OC30A	5254	5258	0	0	-0.34	
-5258	C2	SLES	1	60.2679	13.4857	53.7321	CC32A	5257	5259	5260	5261	-0.01	
-5259	H2A	SLES	1	59.5901	12.7672	54.2332	HCA2	5258	0	0	0	0.09	
-5260	H2B	SLES	1	61.242	13.4955	54.2711	HCA2	5258	0	0	0	0.09	
-5261	C1	SLES	1	59.6338	14.9118	53.7695	CC32A	5258	5262	5263	5264	-0.01	
-5262	H1B	SLES	1	58.5252	14.829	53.7852	HCA2	5261	0	0	0	0.09	
-5263	H1A	SLES	1	59.9639	15.435	54.6892	HCA2	5261	0	0	0	0.09	
-5264	O1	SLES	1	59.7987	15.8928	52.6956	OC30A	5261	5265	0	0	-0.34	
-5265	C1	SLES	1	59.7645	17.302	53.1281	CTL2	5264	5266	5267	5268	-0.18	
-5266	H11	SLES	1	59.4261	17.3119	54.1799	HAL2	5265	0	0	0	0.09	
-5267	H12	SLES	1	60.8423	17.5643	53.0984	HAL2	5265	0	0	0	0.09	
-5268	C2	SLES	1	58.9339	18.3559	52.2939	CTL2	5265	5269	5270	5271	-0.18	
-5269	H21	SLES	1	58.423	17.8347	51.4536	HAL2	5268	0	0	0	0.09	
-5270	H22	SLES	1	59.6323	19.1039	51.859	HAL2	5268	0	0	0	0.09	
-5271	C3	SLES	1	57.8351	19.1166	53.1842	CTL2	5268	5272	5273	5274	-0.18	
-5272	H31	SLES	1	56.8304	18.6973	52.954	HAL2	5271	0	0	0	0.09	
-5273	H32	SLES	1	58.0447	18.9278	54.2559	HAL2	5271	0	0	0	0.09	
-5274	C4	SLES	1	57.809	20.6813	52.9329	CTL2	5271	5275	5276	5277	-0.18	
-5275	H41	SLES	1	56.9467	20.9261	52.2783	HAL2	5274	0	0	0	0.09	
-5276	H42	SLES	1	58.738	20.9812	52.4018	HAL2	5274	0	0	0	0.09	
-5277	C5	SLES	1	57.6921	21.5189	54.2856	CTL2	5274	5278	5279	5280	-0.18	
-5278	H51	SLES	1	57.3273	20.8502	55.0963	HAL2	5277	0	0	0	0.09	
-5279	H52	SLES	1	58.7038	21.8854	54.5737	HAL2	5277	0	0	0	0.09	
-5280	C6	SLES	1	56.717	22.7499	54.1628	CTL2	5277	5281	5282	5283	-0.18	
-5281	H61	SLES	1	55.6684	22.3791	54.1177	HAL2	5280	0	0	0	0.09	
-5282	H62	SLES	1	56.8177	23.3838	55.0747	HAL2	5280	0	0	0	0.09	
-5283	C7	SLES	1	57.0026	23.625	52.9015	CTL2	5280	5284	5285	5286	-0.18	
-5284	H71	SLES	1	56.5279	23.1492	52.0149	HAL2	5283	0	0	0	0.09	
-5285	H72	SLES	1	58.1007	23.6616	52.725	HAL2	5283	0	0	0	0.09	
-5286	C8	SLES	1	56.4657	25.0709	53.0444	CTL2	5283	5287	5288	5289	-0.18	
-5287	H81	SLES	1	55.4255	25.0356	53.442	HAL2	5286	0	0	0	0.09	
-5288	H82	SLES	1	57.0962	25.6223	53.7786	HAL2	5286	0	0	0	0.09	
-5289	C9	SLES	1	56.4674	25.8385	51.6985	CTL2	5286	5290	5291	5292	-0.18	
-5290	H91	SLES	1	55.861	25.2712	50.9563	HAL2	5289	0	0	0	0.09	
-5291	H92	SLES	1	57.5112	25.8976	51.3159	HAL2	5289	0	0	0	0.09	
-5292	C10	SLES	1	55.8955	27.2701	51.8281	CTL2	5289	5293	5294	5295	-0.18	
-5293	H10	SLES	1	54.8433	27.2101	52.1887	HAL2	5292	0	0	0	0.09	
-5294	H10	SLES	1	56.4876	27.8309	52.5864	HAL2	5292	0	0	0	0.09	
-5295	C11	SLES	1	55.9271	28.0465	50.485	CTL2	5292	5296	5297	5298	-0.18	
-5296	H11	SLES	1	55.3281	27.4851	49.7319	HAL2	5295	0	0	0	0.09	
-5297	H11	SLES	1	56.9786	28.0881	50.1194	HAL2	5295	0	0	0	0.09	
-5298	C12	SLES	1	55.3753	29.4921	50.5855	CTL3	5295	5299	5300	5301	-0.27	
-5299	H12	SLES	1	54.5094	29.6238	49.8999	HAL3	5298	0	0	0	0.09	
-5300	H12	SLES	1	56.1629	30.2267	50.3068	HAL3	5298	0	0	0	0.09	
-5301	H12	SLES	1	55.0413	29.7076	51.6238	HAL3	5298	0	0	0	0.09	
-5302	NA	SLES	1	72.4127	11.6337	52.1274	NA	0	0	0	0	1	
-5303	S	SLES	1	71.595	13.1208	55.3632	SL	5304	5305	5306	5307	1.33	
-5304	OS1	SLES	1	71.209	13.8039	53.8828	OSL	5303	5308	0	0	-0.28	
-5305	OS2	SLES	1	70.9797	11.8098	55.381	O2L	5303	0	0	0	-0.65	
-5306	OS3	SLES	1	73.0368	12.9882	55.3821	O2L	5303	0	0	0	-0.65	
-5307	OS4	SLES	1	71.154	13.8905	56.5154	O2L	5303	0	0	0	-0.65	
-5308	C2	SLES	1	70.3097	14.9764	54.0742	CC32A	5304	5309	5310	5311	-0.11	
-5309	H2A	SLES	1	69.3925	14.6825	54.6569	HCA2	5308	0	0	0	0.09	
-5310	H2B	SLES	1	70.8691	15.7657	54.6487	HCA2	5308	0	0	0	0.09	
-5311	C1	SLES	1	69.8785	15.5525	52.6429	CC32A	5308	5312	5313	5314	-0.01	
-5312	H1B	SLES	1	69.4025	14.747	52.0378	HCA2	5311	0	0	0	0.09	
-5313	H1A	SLES	1	70.7764	15.9279	52.0989	HCA2	5311	0	0	0	0.09	
-5314	O1	SLES	1	68.906	16.6588	52.5513	OC30A	5311	5315	0	0	-0.34	
-5315	C2	SLES	1	68.694	17.4329	53.7507	CC32A	5314	5316	5317	5318	-0.01	
-5316	H2A	SLES	1	68.3163	16.6631	54.4519	HCA2	5315	0	0	0	0.09	
-5317	H2B	SLES	1	69.7319	17.7079	54.045	HCA2	5315	0	0	0	0.09	
-5318	C1	SLES	1	67.7774	18.6947	53.8206	CC32A	5315	5319	5320	5321	-0.01	
-5319	H1B	SLES	1	66.7448	18.3931	54.1011	HCA2	5318	0	0	0	0.09	
-5320	H1A	SLES	1	68.1671	19.3876	54.593	HCA2	5318	0	0	0	0.09	
-5321	O1	SLES	1	67.4875	19.5423	52.6629	OC30A	5318	5322	0	0	-0.34	
-5322	C1	SLES	1	67.2287	20.9594	52.9772	CTL2	5321	5323	5324	5325	-0.18	
-5323	H11	SLES	1	67.1257	21.0363	54.0747	HAL2	5322	0	0	0	0.09	
-5324	H12	SLES	1	68.1887	21.4274	52.6761	HAL2	5322	0	0	0	0.09	
-5325	C2	SLES	1	66.0257	21.7082	52.2782	CTL2	5322	5326	5327	5328	-0.18	
-5326	H21	SLES	1	65.4803	20.9911	51.6247	HAL2	5325	0	0	0	0.09	
-5327	H22	SLES	1	66.4302	22.5192	51.6339	HAL2	5325	0	0	0	0.09	
-5328	C3	SLES	1	64.9964	22.3402	53.3363	CTL2	5325	5329	5330	5331	-0.18	
-5329	H31	SLES	1	64.0865	21.701	53.3812	HAL2	5328	0	0	0	0.09	
-5330	H32	SLES	1	65.4637	22.337	54.3412	HAL2	5328	0	0	0	0.09	
-5331	C4	SLES	1	64.5664	23.8219	52.9736	CTL2	5328	5332	5333	5334	-0.18	
-5332	H41	SLES	1	63.5532	23.8017	52.5207	HAL2	5331	0	0	0	0.09	
-5333	H42	SLES	1	65.2709	24.2318	52.2182	HAL2	5331	0	0	0	0.09	
-5334	C5	SLES	1	64.551	24.7858	54.2448	CTL2	5331	5335	5336	5337	-0.18	
-5335	H51	SLES	1	64.5251	24.1673	55.169	HAL2	5334	0	0	0	0.09	
-5336	H52	SLES	1	65.4916	25.3825	54.2586	HAL2	5334	0	0	0	0.09	
-5337	C6	SLES	1	63.3204	25.769	54.2546	CTL2	5334	5338	5339	5340	-0.18	
-5338	H61	SLES	1	62.3969	25.1919	54.4851	HAL2	5337	0	0	0	0.09	
-5339	H62	SLES	1	63.4653	26.5221	55.0641	HAL2	5337	0	0	0	0.09	
-5340	C7	SLES	1	63.1297	26.5139	52.8956	CTL2	5337	5341	5342	5343	-0.18	
-5341	H71	SLES	1	62.5988	25.8422	52.1852	HAL2	5340	0	0	0	0.09	
-5342	H72	SLES	1	64.129	26.7479	52.4654	HAL2	5340	0	0	0	0.09	
-5343	C8	SLES	1	62.3235	27.8282	53.0435	CTL2	5340	5344	5345	5346	-0.18	
-5344	H81	SLES	1	61.4254	27.6356	53.6743	HAL2	5343	0	0	0	0.09	
-5345	H82	SLES	1	62.9536	28.5851	53.5639	HAL2	5343	0	0	0	0.09	
-5346	C9	SLES	1	61.8691	28.4007	51.6774	CTL2	5343	5347	5348	5349	-0.18	
-5347	H91	SLES	1	61.2638	27.6322	51.145	HAL2	5346	0	0	0	0.09	
-5348	H92	SLES	1	62.7683	28.619	51.0584	HAL2	5346	0	0	0	0.09	
-5349	C10	SLES	1	61.03	29.6923	51.8218	CTL2	5346	5350	5351	5352	-0.18	
-5350	H10	SLES	1	60.1183	29.4686	52.4214	HAL2	5349	0	0	0	0.09	
-5351	H10	SLES	1	61.6264	30.4537	52.3736	HAL2	5349	0	0	0	0.09	
-5352	C11	SLES	1	60.6027	30.2797	50.4505	CTL2	5349	5353	5354	5355	-0.18	
-5353	H11	SLES	1	60.0007	29.517	49.9054	HAL2	5352	0	0	0	0.09	
-5354	H11	SLES	1	61.5167	30.4849	49.8477	HAL2	5352	0	0	0	0.09	
-5355	C12	SLES	1	59.7733	31.5852	50.5609	CTL3	5352	5356	5357	5358	-0.27	
-5356	H12	SLES	1	58.7756	31.4506	50.0879	HAL3	5355	0	0	0	0.09	
-5357	H12	SLES	1	60.2985	32.4213	50.0484	HAL3	5355	0	0	0	0.09	
-5358	H12	SLES	1	59.6254	31.8609	51.6278	HAL3	5355	0	0	0	0.09	
-5359	NA	SLES	1	80.4883	18.211	52.2191	NA	0	0	0	0	1	
-5360	S	SLES	1	79.9208	20.0552	55.3218	SL	5361	5362	5363	5364	1.33	
-5361	OS1	SLES	1	79.1406	20.3753	53.874	OSL	5360	5365	0	0	-0.28	
-5362	OS2	SLES	1	79.6337	18.6726	55.6435	O2L	5360	0	0	0	-0.65	
-5363	OS3	SLES	1	81.3359	20.2163	55.0611	O2L	5360	0	0	0	-0.65	
-5364	OS4	SLES	1	79.5202	20.9138	56.425	O2L	5360	0	0	0	-0.65	
-5365	C2	SLES	1	78.0437	21.3614	54.0859	CC32A	5361	5366	5367	5368	-0.11	
-5366	H2A	SLES	1	77.3321	20.9995	54.8794	HCA2	5365	0	0	0	0.09	
-5367	H2B	SLES	1	78.4982	22.3349	54.4204	HCA2	5365	0	0	0	0.09	
-5368	C1	SLES	1	77.2531	21.5782	52.7095	CC32A	5365	5369	5370	5371	-0.01	
-5369	H1B	SLES	1	76.8771	20.6002	52.3303	HCA2	5368	0	0	0	0.09	
-5370	H1A	SLES	1	77.9344	22.0217	51.9464	HCA2	5368	0	0	0	0.09	
-5371	O1	SLES	1	76.0528	22.4358	52.6711	OC30A	5368	5372	0	0	-0.34	
-5372	C2	SLES	1	75.8788	23.3523	53.7722	CC32A	5371	5373	5374	5375	-0.01	
-5373	H2A	SLES	1	75.8131	22.6595	54.6339	HCA2	5372	0	0	0	0.09	
-5374	H2B	SLES	1	76.8611	23.8751	53.8064	HCA2	5372	0	0	0	0.09	
-5375	C1	SLES	1	74.7242	24.3996	53.8578	CC32A	5372	5376	5377	5378	-0.01	
-5376	H1B	SLES	1	73.8516	23.9539	54.3832	HCA2	5375	0	0	0	0.09	
-5377	H1A	SLES	1	75.072	25.2815	54.4321	HCA2	5375	0	0	0	0.09	
-5378	O1	SLES	1	74.0539	24.9545	52.6806	OC30A	5375	5379	0	0	-0.34	
-5379	C1	SLES	1	73.5361	26.325	52.8464	CTL2	5378	5380	5381	5382	-0.18	
-5380	H11	SLES	1	73.6084	26.573	53.9208	HAL2	5379	0	0	0	0.09	
-5381	H12	SLES	1	74.2974	26.9131	52.2935	HAL2	5379	0	0	0	0.09	
-5382	C2	SLES	1	72.0922	26.6848	52.3153	CTL2	5379	5383	5384	5385	-0.18	
-5383	H21	SLES	1	71.6211	25.7698	51.8916	HAL2	5382	0	0	0	0.09	
-5384	H22	SLES	1	72.1839	27.4329	51.4977	HAL2	5382	0	0	0	0.09	
-5385	C3	SLES	1	71.1431	27.2775	53.4672	CTL2	5382	5386	5387	5388	-0.18	
-5386	H31	SLES	1	70.425	26.489	53.7847	HAL2	5385	0	0	0	0.09	
-5387	H32	SLES	1	71.7643	27.5448	54.3452	HAL2	5385	0	0	0	0.09	
-5388	C4	SLES	1	70.3303	28.5566	53.0034	CTL2	5385	5389	5390	5391	-0.18	
-5389	H41	SLES	1	69.2862	28.2563	52.776	HAL2	5388	0	0	0	0.09	
-5390	H42	SLES	1	70.7821	28.9577	52.0707	HAL2	5388	0	0	0	0.09	
-5391	C5	SLES	1	70.3137	29.7077	54.1078	CTL2	5388	5392	5393	5394	-0.18	
-5392	H51	SLES	1	70.5889	29.2699	55.0927	HAL2	5391	0	0	0	0.09	
-5393	H52	SLES	1	71.0812	30.4718	53.8466	HAL2	5391	0	0	0	0.09	
-5394	C6	SLES	1	68.9116	30.4136	54.2376	CTL2	5391	5395	5396	5397	-0.18	
-5395	H61	SLES	1	68.1979	29.7151	54.7294	HAL2	5394	0	0	0	0.09	
-5396	H62	SLES	1	69.0173	31.3116	54.8902	HAL2	5394	0	0	0	0.09	
-5397	C7	SLES	1	68.3252	30.8535	52.8589	CTL2	5394	5398	5399	5400	-0.18	
-5398	H71	SLES	1	67.8478	29.975	52.3708	HAL2	5397	0	0	0	0.09	
-5399	H72	SLES	1	69.1555	31.2009	52.2044	HAL2	5397	0	0	0	0.09	
-5400	C8	SLES	1	67.2777	31.987	52.9902	CTL2	5397	5401	5402	5403	-0.18	
-5401	H81	SLES	1	66.5695	31.735	53.8125	HAL2	5400	0	0	0	0.09	
-5402	H82	SLES	1	67.798	32.9336	53.262	HAL2	5400	0	0	0	0.09	
-5403	C9	SLES	1	66.477	32.2072	51.6822	CTL2	5400	5404	5405	5406	-0.18	
-5404	H91	SLES	1	65.981	31.2522	51.3951	HAL2	5403	0	0	0	0.09	
-5405	H92	SLES	1	67.1824	32.4863	50.8675	HAL2	5403	0	0	0	0.09	
-5406	C10	SLES	1	65.4025	33.3117	51.8199	CTL2	5403	5407	5408	5409	-0.18	
-5407	H10	SLES	1	64.683	33.0215	52.6192	HAL2	5406	0	0	0	0.09	
-5408	H10	SLES	1	65.8949	34.2615	52.1286	HAL2	5406	0	0	0	0.09	
-5409	C11	SLES	1	64.6234	33.5507	50.4994	CTL2	5406	5410	5411	5412	-0.18	
-5410	H11	SLES	1	64.1271	32.5997	50.1985	HAL2	5409	0	0	0	0.09	
-5411	H11	SLES	1	65.3489	33.8229	49.6991	HAL2	5409	0	0	0	0.09	
-5412	C12	SLES	1	63.5493	34.6645	50.6003	CTL3	5409	5413	5414	5415	-0.27	
-5413	H12	SLES	1	62.5428	34.2534	50.3657	HAL3	5412	0	0	0	0.09	
-5414	H12	SLES	1	63.7736	35.4839	49.8821	HAL3	5412	0	0	0	0.09	
-5415	H12	SLES	1	63.5279	35.0898	51.6273	HAL3	5412	0	0	0	0.09	
-5416	NA	SLES	1	86.8043	26.5414	52.4642	NA	0	0	0	0	1	
-5417	S	SLES	1	86.2153	28.8568	55.2286	SL	5418	5419	5420	5421	1.33	
-5418	OS1	SLES	1	85.2116	28.6981	53.8965	OSL	5417	5422	0	0	-0.28	
-5419	OS2	SLES	1	86.2925	27.5464	55.8403	O2L	5417	0	0	0	-0.65	
-5420	OS3	SLES	1	87.5136	29.2361	54.7119	O2L	5417	0	0	0	-0.65	
-5421	OS4	SLES	1	85.7676	29.8346	56.2074	O2L	5417	0	0	0	-0.65	
-5422	C2	SLES	1	83.9532	29.4687	54.1037	CC32A	5418	5423	5424	5425	-0.11	
-5423	H2A	SLES	1	83.4454	29.1511	55.0568	HCA2	5422	0	0	0	0.09	
-5424	H2B	SLES	1	84.2112	30.5616	54.1749	HCA2	5422	0	0	0	0.09	
-5425	C1	SLES	1	82.9717	29.2243	52.8614	CC32A	5422	5426	5427	5428	-0.01	
-5426	H1B	SLES	1	82.785	28.1331	52.7348	HCA2	5425	0	0	0	0.09	
-5427	H1A	SLES	1	83.4353	29.6204	51.9279	HCA2	5425	0	0	0	0.09	
-5428	O1	SLES	1	81.612	29.798	52.8667	OC30A	5425	5429	0	0	-0.34	
-5429	C2	SLES	1	81.3697	30.8757	53.7953	CC32A	5428	5430	5431	5432	-0.01	
-5430	H2A	SLES	1	81.5696	30.3845	54.7677	HCA2	5429	0	0	0	0.09	
-5431	H2B	SLES	1	82.2036	31.5781	53.5701	HCA2	5429	0	0	0	0.09	
-5432	C1	SLES	1	80.0261	31.6664	53.8785	CC32A	5429	5433	5434	5435	-0.01	
-5433	H1B	SLES	1	79.3492	31.1793	54.6138	HCA2	5432	0	0	0	0.09	
-5434	H1A	SLES	1	80.2313	32.7019	54.2165	HCA2	5432	0	0	0	0.09	
-5435	O1	SLES	1	79.1082	31.8119	52.7476	OC30A	5432	5436	0	0	-0.34	
-5436	C1	SLES	1	78.3159	33.0554	52.744	CTL2	5435	5437	5438	5439	-0.18	
-5437	H11	SLES	1	78.4606	33.5369	53.728	HAL2	5436	0	0	0	0.09	
-5438	H12	SLES	1	78.8496	33.6506	51.9746	HAL2	5436	0	0	0	0.09	
-5439	C2	SLES	1	76.7741	32.9991	52.4031	CTL2	5436	5440	5441	5442	-0.18	
-5440	H21	SLES	1	76.4758	31.9397	52.2375	HAL2	5439	0	0	0	0.09	
-5441	H22	SLES	1	76.5921	33.5577	51.4589	HAL2	5439	0	0	0	0.09	
-5442	C3	SLES	1	75.8632	33.624	53.5686	CTL2	5439	5443	5444	5445	-0.18	
-5443	H31	SLES	1	75.3881	32.7952	54.1393	HAL2	5442	0	0	0	0.09	
-5444	H32	SLES	1	76.5097	34.1911	54.2676	HAL2	5442	0	0	0	0.09	
-5445	C4	SLES	1	74.7297	34.5867	53.0204	CTL2	5442	5446	5447	5448	-0.18	
-5446	H41	SLES	1	73.7618	34.0434	53.028	HAL2	5445	0	0	0	0.09	
-5447	H42	SLES	1	74.9605	34.8603	51.9684	HAL2	5445	0	0	0	0.09	
-5448	C5	SLES	1	74.5864	35.9208	53.8834	CTL2	5445	5449	5450	5451	-0.18	
-5449	H51	SLES	1	75.0725	35.7676	54.8721	HAL2	5448	0	0	0	0.09	
-5450	H52	SLES	1	75.1216	36.748	53.3635	HAL2	5448	0	0	0	0.09	
-5451	C6	SLES	1	73.0869	36.3452	54.1128	CTL2	5448	5452	5453	5454	-0.18	
-5452	H61	SLES	1	72.617	35.6407	54.8353	HAL2	5451	0	0	0	0.09	
-5453	H62	SLES	1	73.0643	37.3648	54.5638	HAL2	5451	0	0	0	0.09	
-5454	C7	SLES	1	72.2516	36.3543	52.7936	CTL2	5451	5455	5456	5457	-0.18	
-5455	H71	SLES	1	71.931	35.3148	52.5601	HAL2	5454	0	0	0	0.09	
-5456	H72	SLES	1	72.8944	36.7113	51.9583	HAL2	5454	0	0	0	0.09	
-5457	C8	SLES	1	70.9975	37.2585	52.8877	CTL2	5454	5458	5459	5460	-0.18	
-5458	H81	SLES	1	70.4714	37.0529	53.848	HAL2	5457	0	0	0	0.09	
-5459	H82	SLES	1	71.3175	38.3254	52.8921	HAL2	5457	0	0	0	0.09	
-5460	C9	SLES	1	70.0137	37.03	51.7127	CTL2	5457	5461	5462	5463	-0.18	
-5461	H91	SLES	1	69.7172	35.9567	51.691	HAL2	5460	0	0	0	0.09	
-5462	H92	SLES	1	70.5319	37.2626	50.7552	HAL2	5460	0	0	0	0.09	
-5463	C10	SLES	1	68.7409	37.9025	51.8227	CTL2	5460	5464	5465	5466	-0.18	
-5464	H10	SLES	1	68.2099	37.6532	52.7696	HAL2	5463	0	0	0	0.09	
-5465	H10	SLES	1	69.0378	38.9748	51.8669	HAL2	5463	0	0	0	0.09	
-5466	C11	SLES	1	67.7723	37.6936	50.6286	CTL2	5463	5467	5468	5469	-0.18	
-5467	H11	SLES	1	67.4729	36.6211	50.5928	HAL2	5466	0	0	0	0.09	
-5468	H11	SLES	1	68.3131	37.9267	49.683	HAL2	5466	0	0	0	0.09	
-5469	C12	SLES	1	66.4932	38.5672	50.7011	CTL3	5466	5470	5471	5472	-0.27	
-5470	H12	SLES	1	65.586	37.9238	50.7157	HAL3	5469	0	0	0	0.09	
-5471	H12	SLES	1	66.4352	39.2416	49.8184	HAL3	5469	0	0	0	0.09	
-5472	H12	SLES	1	66.5012	39.1895	51.6224	HAL3	5469	0	0	0	0.09	
-5473	NA	SLES	1	90.9873	36.2008	52.8474	NA	0	0	0	0	1	
-5474	S	SLES	1	90.0766	38.9383	55.0895	SL	5475	5476	5477	5478	1.33	
-5475	OS1	SLES	1	89.0492	38.2672	53.9488	OSL	5474	5479	0	0	-0.28	
-5476	OS2	SLES	1	90.485	37.8545	55.9591	O2L	5474	0	0	0	-0.65	
-5477	OS3	SLES	1	91.2206	39.4389	54.3564	O2L	5474	0	0	0	-0.65	
-5478	OS4	SLES	1	89.4863	40.0091	55.8765	O2L	5474	0	0	0	-0.65	
-5479	C2	SLES	1	87.6665	38.7934	54.1265	CC32A	5475	5480	5481	5482	-0.11	
-5480	H2A	SLES	1	87.306	38.6155	55.1779	HCA2	5479	0	0	0	0.09	
-5481	H2B	SLES	1	87.6774	39.9009	53.9275	HCA2	5479	0	0	0	0.09	
-5482	C1	SLES	1	86.6857	38.0669	53.0889	CC32A	5479	5483	5484	5485	-0.01	
-5483	H1B	SLES	1	86.7402	36.9624	53.2257	HCA2	5482	0	0	0	0.09	
-5484	H1A	SLES	1	86.987	38.3152	52.0446	HCA2	5482	0	0	0	0.09	
-5485	O1	SLES	1	85.2354	38.3375	53.1257	OC30A	5482	5486	0	0	-0.34	
-5486	C2	SLES	1	84.8192	39.533	53.8186	CC32A	5485	5487	5488	5489	-0.01	
-5487	H2A	SLES	1	85.187	39.3382	54.845	HCA2	5486	0	0	0	0.09	
-5488	H2B	SLES	1	85.4581	40.3157	53.3511	HCA2	5486	0	0	0	0.09	
-5489	C1	SLES	1	83.3411	40.0315	53.8817	CC32A	5486	5490	5491	5492	-0.01	
-5490	H1B	SLES	1	82.8398	39.6065	54.7784	HCA2	5489	0	0	0	0.09	
-5491	H1A	SLES	1	83.3309	41.1371	53.9598	HCA2	5489	0	0	0	0.09	
-5492	O1	SLES	1	82.342	39.7148	52.8597	OC30A	5489	5493	0	0	-0.34	
-5493	C1	SLES	1	81.293	40.7345	52.6764	CTL2	5492	5494	5495	5496	-0.18	
-5494	H11	SLES	1	81.3901	41.4552	53.5084	HAL2	5493	0	0	0	0.09	
-5495	H12	SLES	1	81.6285	41.2251	51.7394	HAL2	5493	0	0	0	0.09	
-5496	C2	SLES	1	79.7841	40.2874	52.5359	CTL2	5493	5497	5498	5499	-0.18	
-5497	H21	SLES	1	79.7203	39.1812	52.6408	HAL2	5496	0	0	0	0.09	
-5498	H22	SLES	1	79.4205	40.5566	51.5201	HAL2	5496	0	0	0	0.09	
-5499	C3	SLES	1	78.8344	40.9735	53.6341	CTL2	5496	5500	5501	5502	-0.18	
-5500	H31	SLES	1	78.5952	40.2257	54.4227	HAL2	5499	0	0	0	0.09	
-5501	H32	SLES	1	79.3818	41.8095	54.1135	HAL2	5499	0	0	0	0.09	
-5502	C4	SLES	1	77.4809	41.5279	53.0236	CTL2	5499	5503	5504	5505	-0.18	
-5503	H41	SLES	1	76.6618	40.8174	53.2609	HAL2	5502	0	0	0	0.09	
-5504	H42	SLES	1	77.5755	41.5844	51.9178	HAL2	5502	0	0	0	0.09	
-5505	C5	SLES	1	77.0993	42.9714	53.5856	CTL2	5502	5506	5507	5508	-0.18	
-5506	H51	SLES	1	77.6708	43.1595	54.5212	HAL2	5505	0	0	0	0.09	
-5507	H52	SLES	1	77.4006	43.7421	52.8397	HAL2	5505	0	0	0	0.09	
-5508	C6	SLES	1	75.5611	43.1251	53.8882	CTL2	5505	5509	5510	5511	-0.18	
-5509	H61	SLES	1	75.3089	42.5325	54.7961	HAL2	5508	0	0	0	0.09	
-5510	H62	SLES	1	75.3402	44.1963	54.1055	HAL2	5508	0	0	0	0.09	
-5511	C7	SLES	1	74.6607	42.6507	52.704	CTL2	5508	5512	5513	5514	-0.18	
-5512	H71	SLES	1	74.5664	41.5428	52.7412	HAL2	5511	0	0	0	0.09	
-5513	H72	SLES	1	75.1512	42.9215	51.7425	HAL2	5511	0	0	0	0.09	
-5514	C8	SLES	1	73.2448	43.2778	52.7425	CTL2	5511	5515	5516	5517	-0.18	
-5515	H81	SLES	1	72.8419	43.2043	53.7786	HAL2	5514	0	0	0	0.09	
-5516	H82	SLES	1	73.3175	44.3572	52.4773	HAL2	5514	0	0	0	0.09	
-5517	C9	SLES	1	72.2627	42.5819	51.7669	CTL2	5514	5518	5519	5520	-0.18	
-5518	H91	SLES	1	72.2132	41.4971	52.0141	HAL2	5517	0	0	0	0.09	
-5519	H92	SLES	1	72.652	42.6802	50.7286	HAL2	5517	0	0	0	0.09	
-5520	C10	SLES	1	70.8368	43.1789	51.83	CTL2	5517	5521	5522	5523	-0.18	
-5521	H10	SLES	1	70.438	43.0596	52.8632	HAL2	5520	0	0	0	0.09	
-5522	H10	SLES	1	70.8884	44.2682	51.6048	HAL2	5520	0	0	0	0.09	
-5523	C11	SLES	1	69.8637	42.5001	50.8299	CTL2	5520	5524	5525	5526	-0.18	
-5524	H11	SLES	1	69.8103	41.4121	51.0635	HAL2	5523	0	0	0	0.09	
-5525	H11	SLES	1	70.2757	42.6063	49.8004	HAL2	5523	0	0	0	0.09	
-5526	C12	SLES	1	68.4291	43.088	50.8571	CTL3	5523	5527	5528	5529	-0.27	
-5527	H12	SLES	1	67.6918	42.2964	51.1161	HAL3	5526	0	0	0	0.09	
-5528	H12	SLES	1	68.1641	43.5069	49.8612	HAL3	5526	0	0	0	0.09	
-5529	H12	SLES	1	68.3577	43.8998	51.6133	HAL3	5526	0	0	0	0.09	
-5530	NA	SLES	1	92.4005	46.6805	41.83	NA	0	0	0	0	1	
-5531	S	SLES	1	91.3825	49.6329	43.7267	SL	5532	5533	5534	5535	1.33	
-5532	OS1	SLES	1	90.3208	48.5015	43.0943	OSL	5531	5536	0	0	-0.28	
-5533	OS2	SLES	1	92.2775	48.9074	44.6042	O2L	5531	0	0	0	-0.65	
-5534	OS3	SLES	1	92.1213	50.1654	42.601	O2L	5531	0	0	0	-0.65	
-5535	OS4	SLES	1	90.7441	50.7166	44.4566	O2L	5531	0	0	0	-0.65	
-5536	C2	SLES	1	88.9399	48.7537	43.5942	CC32A	5532	5537	5538	5539	-0.11	
-5537	H2A	SLES	1	88.9215	48.769	44.7196	HCA2	5536	0	0	0	0.09	
-5538	H2B	SLES	1	88.5983	49.7548	43.2104	HCA2	5536	0	0	0	0.09	
-5539	C1	SLES	1	87.9628	47.605	43.0536	CC32A	5536	5540	5541	5542	-0.01	
-5540	H1B	SLES	1	88.3484	46.605	43.3585	HCA2	5539	0	0	0	0.09	
-5541	H1A	SLES	1	87.9088	47.6455	41.9407	HCA2	5539	0	0	0	0.09	
-5542	O1	SLES	1	86.5527	47.5663	43.4873	OC30A	5539	5543	0	0	-0.34	
-5543	C2	SLES	1	86.018	48.7812	44.0537	CC32A	5542	5544	5545	5546	-0.01	
-5544	H2A	SLES	1	86.6738	48.927	44.9343	HCA2	5543	0	0	0	0.09	
-5545	H2B	SLES	1	86.2791	49.5404	43.2824	HCA2	5543	0	0	0	0.09	
-5546	C1	SLES	1	84.5269	48.9589	44.4805	CC32A	5543	5547	5548	5549	-0.01	
-5547	H1B	SLES	1	84.4057	48.6728	45.548	HCA2	5546	0	0	0	0.09	
-5548	H1A	SLES	1	84.2368	50.0222	44.3627	HCA2	5546	0	0	0	0.09	
-5549	O1	SLES	1	83.4255	48.198	43.8883	OC30A	5546	5550	0	0	-0.34	
-5550	C1	SLES	1	82.1281	48.898	43.8612	CTL2	5549	5551	5552	5553	-0.18	
-5551	H11	SLES	1	82.2343	49.8054	44.4827	HAL2	5550	0	0	0	0.09	
-5552	H12	SLES	1	82.0675	49.2014	42.7956	HAL2	5550	0	0	0	0.09	
-5553	C2	SLES	1	80.8135	48.1243	44.2731	CTL2	5550	5554	5555	5556	-0.18	
-5554	H21	SLES	1	81.0817	47.0901	44.5849	HAL2	5553	0	0	0	0.09	
-5555	H22	SLES	1	80.1441	48.0523	43.388	HAL2	5553	0	0	0	0.09	
-5556	C3	SLES	1	80.0255	48.8454	45.4721	CTL2	5553	5557	5558	5559	-0.18	
-5557	H31	SLES	1	80.2076	48.2821	46.4144	HAL2	5556	0	0	0	0.09	
-5558	H32	SLES	1	80.4284	49.8692	45.605	HAL2	5556	0	0	0	0.09	
-5559	C4	SLES	1	78.4632	48.9359	45.221	CTL2	5556	5560	5561	5562	-0.18	
-5560	H41	SLES	1	77.9566	48.1506	45.8199	HAL2	5559	0	0	0	0.09	
-5561	H42	SLES	1	78.2539	48.7366	44.1479	HAL2	5559	0	0	0	0.09	
-5562	C5	SLES	1	77.8599	50.3604	45.6107	CTL2	5559	5563	5564	5565	-0.18	
-5563	H51	SLES	1	78.5775	50.8888	46.2765	HAL2	5562	0	0	0	0.09	
-5564	H52	SLES	1	77.74	50.9688	44.6853	HAL2	5562	0	0	0	0.09	
-5565	C6	SLES	1	76.4677	50.2583	46.3405	CTL2	5562	5566	5567	5568	-0.18	
-5566	H61	SLES	1	76.6261	49.8686	47.3711	HAL2	5565	0	0	0	0.09	
-5567	H62	SLES	1	76.027	51.2793	46.4239	HAL2	5565	0	0	0	0.09	
-5568	C7	SLES	1	75.4593	49.3289	45.5939	CTL2	5565	5569	5570	5571	-0.18	
-5569	H71	SLES	1	75.6824	48.27	45.8522	HAL2	5568	0	0	0	0.09	
-5570	H72	SLES	1	75.5961	49.4508	44.4963	HAL2	5568	0	0	0	0.09	
-5571	C8	SLES	1	73.9848	49.6352	45.956	CTL2	5568	5572	5573	5574	-0.18	
-5572	H81	SLES	1	73.8948	49.7367	47.0619	HAL2	5571	0	0	0	0.09	
-5573	H82	SLES	1	73.6913	50.6064	45.4963	HAL2	5571	0	0	0	0.09	
-5574	C9	SLES	1	73.0139	48.5305	45.4686	CTL2	5571	5575	5576	5577	-0.18	
-5575	H91	SLES	1	73.3258	47.5546	45.9052	HAL2	5574	0	0	0	0.09	
-5576	H92	SLES	1	73.084	48.449	44.3605	HAL2	5574	0	0	0	0.09	
-5577	C10	SLES	1	71.5445	48.8123	45.862	CTL2	5574	5578	5579	5580	-0.18	
-5578	H10	SLES	1	71.47	48.8706	46.9719	HAL2	5577	0	0	0	0.09	
-5579	H10	SLES	1	71.239	49.7983	45.4444	HAL2	5577	0	0	0	0.09	
-5580	C11	SLES	1	70.5711	47.7197	45.3458	CTL2	5577	5581	5582	5583	-0.18	
-5581	H11	SLES	1	70.8768	46.7366	45.7716	HAL2	5580	0	0	0	0.09	
-5582	H11	SLES	1	70.6624	47.6526	44.2375	HAL2	5580	0	0	0	0.09	
-5583	C12	SLES	1	69.087	47.9822	45.71	CTL3	5580	5584	5585	5586	-0.27	
-5584	H12	SLES	1	68.6839	47.1425	46.3182	HAL3	5583	0	0	0	0.09	
-5585	H12	SLES	1	68.4735	48.0775	44.787	HAL3	5583	0	0	0	0.09	
-5586	H12	SLES	1	68.9927	48.9218	46.2967	HAL3	5583	0	0	0	0.09	
-5587	NA	SLES	1	91.7143	57.347	42.41	NA	0	0	0	0	1	
-5588	S	SLES	1	89.8093	60.2589	43.5243	SL	5589	5590	5591	5592	1.33	
-5589	OS1	SLES	1	89.1394	58.759	43.1947	OSL	5588	5593	0	0	-0.28	
-5590	OS2	SLES	1	90.8088	60.0434	44.5499	O2L	5588	0	0	0	-0.65	
-5591	OS3	SLES	1	90.447	60.6934	42.299	O2L	5588	0	0	0	-0.65	
-5592	OS4	SLES	1	88.8537	61.2616	43.967	O2L	5588	0	0	0	-0.65	
-5593	C2	SLES	1	87.7125	58.7257	43.6226	CC32A	5589	5594	5595	5596	-0.11	
-5594	H2A	SLES	1	87.6172	59.0025	44.7095	HCA2	5593	0	0	0	0.09	
-5595	H2B	SLES	1	87.137	59.4699	43.0052	HCA2	5593	0	0	0	0.09	
-5596	C1	SLES	1	87.1226	57.2552	43.3859	CC32A	5593	5597	5598	5599	-0.01	
-5597	H1B	SLES	1	87.7451	56.5056	43.9263	HCA2	5596	0	0	0	0.09	
-5598	H1A	SLES	1	87.1323	57.0131	42.2976	HCA2	5596	0	0	0	0.09	
-5599	O1	SLES	1	85.7511	56.9276	43.8214	OC30A	5596	5600	0	0	-0.34	
-5600	C2	SLES	1	84.87	58.0425	44.073	CC32A	5599	5601	5602	5603	-0.01	
-5601	H2A	SLES	1	85.4024	58.5711	44.8878	HCA2	5600	0	0	0	0.09	
-5602	H2B	SLES	1	84.9643	58.6383	43.1372	HCA2	5600	0	0	0	0.09	
-5603	C1	SLES	1	83.3623	57.8917	44.4489	CC32A	5600	5604	5605	5606	-0.01	
-5604	H1B	SLES	1	83.2542	57.8456	45.5544	HCA2	5603	0	0	0	0.09	
-5605	H1A	SLES	1	82.802	58.7715	44.0737	HCA2	5603	0	0	0	0.09	
-5606	O1	SLES	1	82.5509	56.7348	44.067	OC30A	5603	5607	0	0	-0.34	
-5607	C1	SLES	1	81.1165	57.0161	43.8734	CTL2	5606	5608	5609	5610	-0.18	
-5608	H11	SLES	1	80.9308	58.0377	44.2515	HAL2	5607	0	0	0	0.09	
-5609	H12	SLES	1	81.0452	57.028	42.7662	HAL2	5607	0	0	0	0.09	
-5610	C2	SLES	1	80.0383	56.0264	44.4687	CTL2	5607	5611	5612	5613	-0.18	
-5611	H21	SLES	1	80.5571	55.2138	45.0248	HAL2	5610	0	0	0	0.09	
-5612	H22	SLES	1	79.4731	55.5616	43.6315	HAL2	5610	0	0	0	0.09	
-5613	C3	SLES	1	79.0072	56.7616	45.4561	CTL2	5610	5614	5615	5616	-0.18	
-5614	H31	SLES	1	79.274	56.5127	46.5074	HAL2	5613	0	0	0	0.09	
-5615	H32	SLES	1	79.1065	57.8583	45.3308	HAL2	5613	0	0	0	0.09	
-5616	C4	SLES	1	77.4992	56.3486	45.1967	CTL2	5613	5617	5618	5619	-0.18	
-5617	H41	SLES	1	77.1876	55.6188	45.9729	HAL2	5616	0	0	0	0.09	
-5618	H42	SLES	1	77.4225	55.8494	44.2069	HAL2	5616	0	0	0	0.09	
-5619	C5	SLES	1	76.5066	57.5973	45.2257	CTL2	5616	5620	5621	5622	-0.18	
-5620	H51	SLES	1	77.0082	58.448	45.7377	HAL2	5619	0	0	0	0.09	
-5621	H52	SLES	1	76.2863	57.9095	44.1793	HAL2	5619	0	0	0	0.09	
-5622	C6	SLES	1	75.1503	57.2861	45.9638	CTL2	5619	5623	5624	5625	-0.18	
-5623	H61	SLES	1	75.3412	57.2131	47.058	HAL2	5622	0	0	0	0.09	
-5624	H62	SLES	1	74.4438	58.1321	45.7947	HAL2	5622	0	0	0	0.09	
-5625	C7	SLES	1	74.4841	55.9618	45.4735	CTL2	5622	5626	5627	5628	-0.18	
-5626	H71	SLES	1	74.9698	55.1007	45.984	HAL2	5625	0	0	0	0.09	
-5627	H72	SLES	1	74.6538	55.8524	44.3792	HAL2	5625	0	0	0	0.09	
-5628	C8	SLES	1	72.9615	55.9199	45.7549	CTL2	5625	5629	5630	5631	-0.18	
-5629	H81	SLES	1	72.7754	56.2521	46.802	HAL2	5628	0	0	0	0.09	
-5630	H82	SLES	1	72.4454	56.6317	45.0711	HAL2	5628	0	0	0	0.09	
-5631	C9	SLES	1	72.3621	54.5047	45.5588	CTL2	5628	5632	5633	5634	-0.18	
-5632	H91	SLES	1	72.8988	53.7881	46.2214	HAL2	5631	0	0	0	0.09	
-5633	H92	SLES	1	72.5239	54.185	44.5048	HAL2	5631	0	0	0	0.09	
-5634	C10	SLES	1	70.8491	54.4489	45.8766	CTL2	5631	5635	5636	5637	-0.18	
-5635	H10	SLES	1	70.6893	54.7462	46.9382	HAL2	5634	0	0	0	0.09	
-5636	H10	SLES	1	70.3145	55.1811	45.23	HAL2	5634	0	0	0	0.09	
-5637	C11	SLES	1	70.2459	53.0373	45.6497	CTL2	5634	5638	5639	5640	-0.18	
-5638	H11	SLES	1	70.7793	52.3099	46.3035	HAL2	5637	0	0	0	0.09	
-5639	H11	SLES	1	70.4241	52.737	44.5918	HAL2	5637	0	0	0	0.09	
-5640	C12	SLES	1	68.7258	52.9525	45.944	CTL3	5637	5641	5642	5643	-0.27	
-5641	H12	SLES	1	68.5278	52.2034	46.742	HAL3	5640	0	0	0	0.09	
-5642	H12	SLES	1	68.1712	52.65	45.0284	HAL3	5640	0	0	0	0.09	
-5643	H12	SLES	1	68.3411	53.9396	46.2812	HAL3	5640	0	0	0	0.09	
-5644	NA	SLES	1	88.3823	67.6872	43.0362	NA	0	0	0	0	1	
-5645	S	SLES	1	85.6508	70.0987	43.3084	SL	5646	5647	5648	5649	1.33	
-5646	OS1	SLES	1	85.4489	68.4354	43.3104	OSL	5645	5650	0	0	-0.28	
-5647	OS2	SLES	1	86.5384	70.4037	44.4114	O2L	5645	0	0	0	-0.65	
-5648	OS3	SLES	1	86.2952	70.4249	42.0534	O2L	5645	0	0	0	-0.65	
-5649	OS4	SLES	1	84.4165	70.8558	43.4422	O2L	5645	0	0	0	-0.65	
-5650	C2	SLES	1	84.0408	68.0869	43.6511	CC32A	5646	5651	5652	5653	-0.11	
-5651	H2A	SLES	1	83.7433	68.5507	44.6326	HCA2	5650	0	0	0	0.09	
-5652	H2B	SLES	1	83.3684	68.4846	42.8413	HCA2	5650	0	0	0	0.09	
-5653	C1	SLES	1	83.8962	66.4939	43.7405	CC32A	5650	5654	5655	5656	-0.01	
-5654	H1B	SLES	1	84.6246	66.0881	44.4798	HCA2	5653	0	0	0	0.09	
-5655	H1A	SLES	1	84.103	66.0377	42.7445	HCA2	5653	0	0	0	0.09	
-5656	O1	SLES	1	82.6185	65.888	44.1625	OC30A	5653	5657	0	0	-0.34	
-5657	C2	SLES	1	81.449	66.7303	44.0883	CC32A	5656	5658	5659	5660	-0.01	
-5658	H2A	SLES	1	81.718	67.551	44.7818	HCA2	5657	0	0	0	0.09	
-5659	H2B	SLES	1	81.4954	67.1133	43.044	HCA2	5657	0	0	0	0.09	
-5660	C1	SLES	1	80.0012	66.2377	44.4023	CC32A	5657	5661	5662	5663	-0.01	
-5661	H1B	SLES	1	79.7748	66.4003	45.4786	HCA2	5660	0	0	0	0.09	
-5662	H1A	SLES	1	79.2776	66.8182	43.7956	HCA2	5660	0	0	0	0.09	
-5663	O1	SLES	1	79.5792	64.843	44.2631	OC30A	5660	5664	0	0	-0.34	
-5664	C1	SLES	1	78.1565	64.6529	43.9257	CTL2	5663	5665	5666	5667	-0.18	
-5665	H11	SLES	1	77.6614	65.6346	44.0365	HAL2	5664	0	0	0	0.09	
-5666	H12	SLES	1	78.2206	64.4065	42.8457	HAL2	5664	0	0	0	0.09	
-5667	C2	SLES	1	77.3155	63.5471	44.6782	CTL2	5664	5668	5669	5670	-0.18	
-5668	H21	SLES	1	77.9594	63.056	45.4417	HAL2	5667	0	0	0	0.09	
-5669	H22	SLES	1	77.0008	62.7717	43.9458	HAL2	5667	0	0	0	0.09	
-5670	C3	SLES	1	76.0134	64.1493	45.3996	CTL2	5667	5671	5672	5673	-0.18	
-5671	H31	SLES	1	76.206	64.2185	46.4934	HAL2	5670	0	0	0	0.09	
-5672	H32	SLES	1	75.8325	65.175	45.0208	HAL2	5670	0	0	0	0.09	
-5673	C4	SLES	1	74.7127	63.2758	45.1607	CTL2	5670	5674	5675	5676	-0.18	
-5674	H41	SLES	1	74.5136	62.6711	46.07	HAL2	5673	0	0	0	0.09	
-5675	H42	SLES	1	74.8931	62.5757	44.3167	HAL2	5673	0	0	0	0.09	
-5676	C5	SLES	1	73.4284	64.1633	44.8324	CTL2	5673	5677	5678	5679	-0.18	
-5677	H51	SLES	1	73.6194	65.2111	45.1533	HAL2	5676	0	0	0	0.09	
-5678	H52	SLES	1	73.2627	64.1677	43.7307	HAL2	5676	0	0	0	0.09	
-5679	C6	SLES	1	72.1237	63.6419	45.5445	CTL2	5676	5680	5681	5682	-0.18	
-5680	H61	SLES	1	72.1917	63.8627	46.6334	HAL2	5679	0	0	0	0.09	
-5681	H62	SLES	1	71.244	64.1931	45.1371	HAL2	5679	0	0	0	0.09	
-5682	C7	SLES	1	71.8983	62.1093	45.3487	CTL2	5679	5683	5684	5685	-0.18	
-5683	H71	SLES	1	72.529	61.5538	46.0778	HAL2	5682	0	0	0	0.09	
-5684	H72	SLES	1	72.2235	61.8215	44.3241	HAL2	5682	0	0	0	0.09	
-5685	C8	SLES	1	70.4189	61.6939	45.5441	CTL2	5682	5686	5687	5688	-0.18	
-5686	H81	SLES	1	70.0246	62.1749	46.4685	HAL2	5685	0	0	0	0.09	
-5687	H82	SLES	1	69.8199	62.0641	44.6811	HAL2	5685	0	0	0	0.09	
-5688	C9	SLES	1	70.2456	60.1585	45.6591	CTL2	5685	5689	5690	5691	-0.18	
-5689	H91	SLES	1	70.8681	59.7852	46.5038	HAL2	5688	0	0	0	0.09	
-5690	H92	SLES	1	70.6142	59.6807	44.7235	HAL2	5688	0	0	0	0.09	
-5691	C10	SLES	1	68.7746	59.7407	45.8936	CTL2	5688	5692	5693	5694	-0.18	
-5692	H10	SLES	1	68.413	60.1997	46.8419	HAL2	5691	0	0	0	0.09	
-5693	H10	SLES	1	68.148	60.1326	45.0607	HAL2	5691	0	0	0	0.09	
-5694	C11	SLES	1	68.6005	58.201	45.9776	CTL2	5691	5695	5696	5697	-0.18	
-5695	H11	SLES	1	69.2237	57.8146	46.8163	HAL2	5694	0	0	0	0.09	
-5696	H11	SLES	1	68.9801	57.7451	45.0347	HAL2	5694	0	0	0	0.09	
-5697	C12	SLES	1	67.1334	57.749	46.196	CTL3	5694	5698	5699	5700	-0.27	
-5698	H12	SLES	1	67.0453	57.1636	47.1376	HAL3	5697	0	0	0	0.09	
-5699	H12	SLES	1	66.7953	57.1114	45.3494	HAL3	5697	0	0	0	0.09	
-5700	H12	SLES	1	66.462	58.6326	46.264	HAL3	5697	0	0	0	0.09	
-5701	NA	SLES	1	82.484	77.0242	43.6694	NA	0	0	0	0	1	
-5702	S	SLES	1	79.2124	78.5454	43.0928	SL	5703	5704	5705	5706	1.33	
-5703	OS1	SLES	1	79.4552	76.9231	43.434	OSL	5702	5707	0	0	-0.28	
-5704	OS2	SLES	1	79.7863	79.2855	44.1975	O2L	5702	0	0	0	-0.65	
-5705	OS3	SLES	1	79.9546	78.8174	41.8796	O2L	5702	0	0	0	-0.65	
-5706	OS4	SLES	1	77.8191	78.9219	42.9151	O2L	5702	0	0	0	-0.65	
-5707	C2	SLES	1	78.1504	76.2461	43.6779	CC32A	5703	5708	5709	5710	-0.11	
-5708	H2A	SLES	1	77.5779	76.7694	44.4938	HCA2	5707	0	0	0	0.09	
-5709	H2B	SLES	1	77.5468	76.2812	42.729	HCA2	5707	0	0	0	0.09	
-5710	C1	SLES	1	78.4142	74.7221	44.0953	CC32A	5707	5711	5712	5713	-0.01	
-5711	H1B	SLES	1	79.0851	74.6832	44.9841	HCA2	5710	0	0	0	0.09	
-5712	H1A	SLES	1	78.901	74.177	43.2533	HCA2	5710	0	0	0	0.09	
-5713	O1	SLES	1	77.2865	73.8554	44.4891	OC30A	5710	5714	0	0	-0.34	
-5714	C2	SLES	1	75.9682	74.2941	44.0988	CC32A	5713	5715	5716	5717	-0.01	
-5715	H2A	SLES	1	75.8901	75.2667	44.6229	HCA2	5714	0	0	0	0.09	
-5716	H2B	SLES	1	76.0915	74.483	43.0086	HCA2	5714	0	0	0	0.09	
-5717	C1	SLES	1	74.668	73.4654	44.3437	CC32A	5714	5718	5719	5720	-0.01	
-5718	H1B	SLES	1	74.2256	73.7429	45.3252	HCA2	5717	0	0	0	0.09	
-5719	H1A	SLES	1	73.9331	73.6935	43.5458	HCA2	5717	0	0	0	0.09	
-5720	O1	SLES	1	74.6558	72.0067	44.4643	OC30A	5717	5721	0	0	-0.34	
-5721	C1	SLES	1	73.4121	71.3545	44.0148	CTL2	5720	5722	5723	5724	-0.18	
-5722	H11	SLES	1	72.6661	72.1531	43.8511	HAL2	5721	0	0	0	0.09	
-5723	H12	SLES	1	73.7229	70.9503	43.0293	HAL2	5721	0	0	0	0.09	
-5724	C2	SLES	1	72.7732	70.2032	44.8882	CTL2	5721	5725	5726	5727	-0.18	
-5725	H21	SLES	1	73.3821	70.0639	45.8094	HAL2	5724	0	0	0	0.09	
-5726	H22	SLES	1	72.8029	69.2531	44.3112	HAL2	5724	0	0	0	0.09	
-5727	C3	SLES	1	71.2551	70.5185	45.306	CTL2	5724	5728	5729	5730	-0.18	
-5728	H31	SLES	1	71.2321	70.8331	46.3732	HAL2	5727	0	0	0	0.09	
-5729	H32	SLES	1	70.8801	71.3633	44.6945	HAL2	5727	0	0	0	0.09	
-5730	C4	SLES	1	70.2891	69.2766	45.1151	CTL2	5727	5731	5732	5733	-0.18	
-5731	H41	SLES	1	70.102	68.8109	46.1052	HAL2	5730	0	0	0	0.09	
-5732	H42	SLES	1	70.7885	68.5214	44.4706	HAL2	5730	0	0	0	0.09	
-5733	C5	SLES	1	68.8936	69.6794	44.4554	CTL2	5730	5734	5735	5736	-0.18	
-5734	H51	SLES	1	68.746	70.777	44.56	HAL2	5733	0	0	0	0.09	
-5735	H52	SLES	1	68.9243	69.4404	43.3678	HAL2	5733	0	0	0	0.09	
-5736	C6	SLES	1	67.6684	68.9357	45.1089	CTL2	5733	5737	5738	5739	-0.18	
-5737	H61	SLES	1	67.4883	69.3558	46.1239	HAL2	5736	0	0	0	0.09	
-5738	H62	SLES	1	66.7587	69.126	44.4926	HAL2	5736	0	0	0	0.09	
-5739	C7	SLES	1	67.8887	67.3944	45.2273	CTL2	5736	5740	5741	5742	-0.18	
-5740	H71	SLES	1	68.5077	67.1846	46.1277	HAL2	5739	0	0	0	0.09	
-5741	H72	SLES	1	68.4488	67.0372	44.3346	HAL2	5739	0	0	0	0.09	
-5742	C8	SLES	1	66.5586	66.6081	45.3368	CTL2	5739	5743	5744	5745	-0.18	
-5743	H81	SLES	1	65.8996	67.1093	46.0823	HAL2	5742	0	0	0	0.09	
-5744	H82	SLES	1	66.0411	66.6293	44.3507	HAL2	5742	0	0	0	0.09	
-5745	C9	SLES	1	66.7757	65.1345	45.763	CTL2	5742	5746	5747	5748	-0.18	
-5746	H91	SLES	1	67.3195	65.1139	46.7348	HAL2	5745	0	0	0	0.09	
-5747	H92	SLES	1	67.4114	64.6268	45.003	HAL2	5745	0	0	0	0.09	
-5748	C10	SLES	1	65.4476	64.3552	45.9119	CTL2	5745	5749	5750	5751	-0.18	
-5749	H10	SLES	1	64.8211	64.8495	46.6892	HAL2	5748	0	0	0	0.09	
-5750	H10	SLES	1	64.893	64.3942	44.9471	HAL2	5748	0	0	0	0.09	
-5751	C11	SLES	1	65.6703	62.8718	46.3089	CTL2	5748	5752	5753	5754	-0.18	
-5752	H11	SLES	1	66.2193	62.8381	47.2778	HAL2	5751	0	0	0	0.09	
-5753	H11	SLES	1	66.312	62.3867	45.5383	HAL2	5751	0	0	0	0.09	
-5754	C12	SLES	1	64.3575	62.0587	46.4501	CTL3	5751	5755	5756	5757	-0.27	
-5755	H12	SLES	1	64.2652	61.6492	47.4802	HAL3	5754	0	0	0	0.09	
-5756	H12	SLES	1	64.3485	61.211	45.7297	HAL3	5754	0	0	0	0.09	
-5757	H12	SLES	1	63.4772	62.7063	46.246	HAL3	5754	0	0	0	0.09	
-5758	NA	SLES	1	74.2895	84.6848	44.2698	NA	0	0	0	0	1	
-5759	S	SLES	1	70.9314	85.0995	42.8908	SL	5760	5761	5762	5763	1.33	
-5760	OS1	SLES	1	71.5118	83.6763	43.5579	OSL	5759	5764	0	0	-0.28	
-5761	OS2	SLES	1	71.0466	86.1103	43.9215	O2L	5759	0	0	0	-0.65	
-5762	OS3	SLES	1	71.815	85.4174	41.7886	O2L	5759	0	0	0	-0.65	
-5763	OS4	SLES	1	69.5579	85.0276	42.4189	O2L	5759	0	0	0	-0.65	
-5764	C2	SLES	1	70.4079	82.6858	43.7015	CC32A	5760	5765	5766	5767	-0.11	
-5765	H2A	SLES	1	69.5604	83.12	44.3017	HCA2	5764	0	0	0	0.09	
-5766	H2B	SLES	1	70.0297	82.4211	42.6753	HCA2	5764	0	0	0	0.09	
-5767	C1	SLES	1	70.9664	81.3717	44.4279	CC32A	5764	5768	5769	5770	-0.01	
-5768	H1B	SLES	1	71.4217	81.6446	45.4075	HCA2	5767	0	0	0	0.09	
-5769	H1A	SLES	1	71.7444	80.8884	43.792	HCA2	5767	0	0	0	0.09	
-5770	O1	SLES	1	70.0473	80.2723	44.7807	OC30A	5767	5771	0	0	-0.34	
-5771	C2	SLES	1	68.7729	80.2539	44.1038	CC32A	5770	5772	5773	5774	-0.01	
-5772	H2A	SLES	1	68.3352	81.2206	44.4212	HCA2	5771	0	0	0	0.09	
-5773	H2B	SLES	1	69.0691	80.3285	43.0332	HCA2	5771	0	0	0	0.09	
-5774	C1	SLES	1	67.7127	79.1211	44.2767	CC32A	5771	5775	5776	5777	-0.01	
-5775	H1B	SLES	1	67.017	79.3816	45.1039	HCA2	5774	0	0	0	0.09	
-5776	H1A	SLES	1	67.1287	79.0205	43.34	HCA2	5774	0	0	0	0.09	
-5777	O1	SLES	1	68.0565	77.7502	44.6579	OC30A	5774	5778	0	0	-0.34	
-5778	C1	SLES	1	67.1496	76.7118	44.1351	CTL2	5777	5779	5780	5781	-0.18	
-5779	H11	SLES	1	66.2728	77.2305	43.707	HAL2	5778	0	0	0	0.09	
-5780	H12	SLES	1	67.7552	76.2925	43.3053	HAL2	5778	0	0	0	0.09	
-5781	C2	SLES	1	66.6644	75.5468	45.0857	CTL2	5778	5782	5783	5784	-0.18	
-5782	H21	SLES	1	67.0806	75.7107	46.1048	HAL2	5781	0	0	0	0.09	
-5783	H22	SLES	1	67.0617	74.5805	44.7048	HAL2	5781	0	0	0	0.09	
-5784	C3	SLES	1	65.064	75.4572	45.1813	CTL2	5781	5785	5786	5787	-0.18	
-5785	H31	SLES	1	64.7356	75.886	46.1543	HAL2	5784	0	0	0	0.09	
-5786	H32	SLES	1	64.6188	76.07	44.3723	HAL2	5784	0	0	0	0.09	
-5787	C4	SLES	1	64.5181	73.9739	45.0628	CTL2	5784	5788	5789	5790	-0.18	
-5788	H41	SLES	1	64.2551	73.6054	46.0763	HAL2	5787	0	0	0	0.09	
-5789	H42	SLES	1	65.3212	73.3206	44.6588	HAL2	5787	0	0	0	0.09	
-5790	C5	SLES	1	63.237	73.8644	44.1185	CTL2	5787	5791	5792	5793	-0.18	
-5791	H51	SLES	1	62.7894	74.8752	43.9951	HAL2	5790	0	0	0	0.09	
-5792	H52	SLES	1	63.5571	73.5068	43.1132	HAL2	5790	0	0	0	0.09	
-5793	C6	SLES	1	62.1393	72.8865	44.6844	CTL2	5790	5794	5795	5796	-0.18	
-5794	H61	SLES	1	61.6465	73.3629	45.5615	HAL2	5793	0	0	0	0.09	
-5795	H62	SLES	1	61.3623	72.7226	43.9016	HAL2	5793	0	0	0	0.09	
-5796	C7	SLES	1	62.7242	71.5049	45.1171	CTL2	5793	5797	5798	5799	-0.18	
-5797	H71	SLES	1	63.1728	71.6022	46.1305	HAL2	5796	0	0	0	0.09	
-5798	H72	SLES	1	63.533	71.2146	44.41	HAL2	5796	0	0	0	0.09	
-5799	C8	SLES	1	61.6533	70.3862	45.1461	CTL2	5796	5800	5801	5802	-0.18	
-5800	H81	SLES	1	60.7447	70.7652	45.6678	HAL2	5799	0	0	0	0.09	
-5801	H82	SLES	1	61.3676	70.1286	44.1008	HAL2	5799	0	0	0	0.09	
-5802	C9	SLES	1	62.1528	69.1073	45.8641	CTL2	5799	5803	5804	5805	-0.18	
-5803	H91	SLES	1	62.466	69.3713	46.8998	HAL2	5802	0	0	0	0.09	
-5804	H92	SLES	1	63.044	68.7135	45.3256	HAL2	5802	0	0	0	0.09	
-5805	C10	SLES	1	61.0735	68.0009	45.9304	CTL2	5802	5806	5807	5808	-0.18	
-5806	H10	SLES	1	60.1908	68.387	46.4896	HAL2	5805	0	0	0	0.09	
-5807	H10	SLES	1	60.7438	67.7521	44.8963	HAL2	5805	0	0	0	0.09	
-5808	C11	SLES	1	61.587	66.7107	46.6229	CTL2	5805	5809	5810	5811	-0.18	
-5809	H11	SLES	1	61.9092	66.9634	47.6589	HAL2	5808	0	0	0	0.09	
-5810	H11	SLES	1	62.4803	66.3386	46.0709	HAL2	5808	0	0	0	0.09	
-5811	C12	SLES	1	60.5327	65.5756	46.6903	CTL3	5808	5812	5813	5814	-0.27	
-5812	H12	SLES	1	60.3359	65.2932	47.7481	HAL3	5811	0	0	0	0.09	
-5813	H12	SLES	1	60.897	64.6768	46.1454	HAL3	5811	0	0	0	0.09	
-5814	H12	SLES	1	59.5772	65.9068	46.2284	HAL3	5811	0	0	0	0.09	
-5815	NA	SLES	1	64.2672	90.0634	44.7997	NA	0	0	0	0	1	
-5816	S	SLES	1	61.3423	89.3923	42.7153	SL	5817	5818	5819	5820	1.33	
-5817	OS1	SLES	1	62.1039	88.2488	43.6742	OSL	5816	5821	0	0	-0.28	
-5818	OS2	SLES	1	60.9399	90.4653	43.6008	O2L	5816	0	0	0	-0.65	
-5819	OS3	SLES	1	62.3444	89.8707	41.786	O2L	5816	0	0	0	-0.65	
-5820	OS4	SLES	1	60.188	88.8939	41.9847	O2L	5816	0	0	0	-0.65	
-5821	C2	SLES	1	61.2994	86.9954	43.7202	CC32A	5817	5822	5823	5824	-0.11	
-5822	H2A	SLES	1	60.2505	87.2093	44.0684	HCA2	5821	0	0	0	0.09	
-5823	H2B	SLES	1	61.2576	86.5595	42.6837	HCA2	5821	0	0	0	0.09	
-5824	C1	SLES	1	61.9977	85.9539	44.7173	CC32A	5821	5825	5826	5827	-0.01	
-5825	H1B	SLES	1	62.1204	86.4166	45.7236	HCA2	5824	0	0	0	0.09	
-5826	H1A	SLES	1	63.0029	85.6706	44.3269	HCA2	5824	0	0	0	0.09	
-5827	O1	SLES	1	61.3456	84.6649	45.019	OC30A	5824	5828	0	0	-0.34	
-5828	C2	SLES	1	60.3182	84.2313	44.103	CC32A	5827	5829	5830	5831	-0.01	
-5829	H2A	SLES	1	59.5785	85.0512	44.1894	HCA2	5828	0	0	0	0.09	
-5830	H2B	SLES	1	60.8278	84.3105	43.1163	HCA2	5828	0	0	0	0.09	
-5831	C1	SLES	1	59.5852	82.8567	44.2057	CC32A	5828	5832	5833	5834	-0.01	
-5832	H1B	SLES	1	58.6708	82.9649	44.8287	HCA2	5831	0	0	0	0.09	
-5833	H1A	SLES	1	59.2865	82.5247	43.1912	HCA2	5831	0	0	0	0.09	
-5834	O1	SLES	1	60.1792	81.6743	44.8317	OC30A	5831	5835	0	0	-0.34	
-5835	C1	SLES	1	59.7287	80.3837	44.279	CTL2	5834	5836	5837	5838	-0.18	
-5836	H11	SLES	1	58.8726	80.5954	43.6131	HAL2	5835	0	0	0	0.09	
-5837	H12	SLES	1	60.6015	80.0977	43.6564	HAL2	5835	0	0	0	0.09	
-5838	C2	SLES	1	59.3587	79.2003	45.2582	CTL2	5835	5839	5840	5841	-0.18	
-5839	H21	SLES	1	59.4644	79.5503	46.3094	HAL2	5838	0	0	0	0.09	
-5840	H22	SLES	1	60.0754	78.3645	45.1019	HAL2	5838	0	0	0	0.09	
-5841	C3	SLES	1	57.8632	78.6606	45.0333	CTL2	5838	5842	5843	5844	-0.18	
-5842	H31	SLES	1	57.2134	79.0458	45.8505	HAL2	5841	0	0	0	0.09	
-5843	H32	SLES	1	57.4756	79.059	44.0745	HAL2	5841	0	0	0	0.09	
-5844	C4	SLES	1	57.7726	77.0784	45.0071	CTL2	5841	5845	5846	5847	-0.18	
-5845	H41	SLES	1	57.385	76.7241	45.985	HAL2	5844	0	0	0	0.09	
-5846	H42	SLES	1	58.7915	76.6568	44.8695	HAL2	5844	0	0	0	0.09	
-5847	C5	SLES	1	56.826	76.5365	43.8429	CTL2	5844	5848	5849	5850	-0.18	
-5848	H51	SLES	1	56.1695	77.3639	43.494	HAL2	5847	0	0	0	0.09	
-5849	H52	SLES	1	57.4569	76.2146	42.983	HAL2	5847	0	0	0	0.09	
-5850	C6	SLES	1	55.9245	75.3275	44.2977	CTL2	5847	5851	5852	5853	-0.18	
-5851	H61	SLES	1	55.1309	75.7039	44.9816	HAL2	5850	0	0	0	0.09	
-5852	H62	SLES	1	55.4257	74.8905	43.4012	HAL2	5850	0	0	0	0.09	
-5853	C7	SLES	1	56.7346	74.208	45.0248	CTL2	5850	5854	5855	5856	-0.18	
-5854	H71	SLES	1	56.8895	74.5035	46.0862	HAL2	5853	0	0	0	0.09	
-5855	H72	SLES	1	57.7344	74.1126	44.5455	HAL2	5853	0	0	0	0.09	
-5856	C8	SLES	1	56.0219	72.8334	44.984	CTL2	5853	5857	5858	5859	-0.18	
-5857	H81	SLES	1	54.949	72.9713	45.251	HAL2	5856	0	0	0	0.09	
-5858	H82	SLES	1	56.0692	72.4296	43.947	HAL2	5856	0	0	0	0.09	
-5859	C9	SLES	1	56.6577	71.808	45.956	CTL2	5856	5860	5861	5862	-0.18	
-5860	H91	SLES	1	56.6367	72.2253	46.9884	HAL2	5859	0	0	0	0.09	
-5861	H92	SLES	1	57.7222	71.6498	45.6711	HAL2	5859	0	0	0	0.09	
-5862	C10	SLES	1	55.9251	70.4455	45.9479	CTL2	5859	5863	5864	5865	-0.18	
-5863	H10	SLES	1	54.8658	70.6003	46.2556	HAL2	5862	0	0	0	0.09	
-5864	H10	SLES	1	55.9263	70.0381	44.9116	HAL2	5862	0	0	0	0.09	
-5865	C11	SLES	1	56.583	69.4114	46.8996	CTL2	5862	5866	5867	5868	-0.18	
-5866	H11	SLES	1	56.5733	69.8205	47.9359	HAL2	5865	0	0	0	0.09	
-5867	H11	SLES	1	57.6469	69.2735	46.5992	HAL2	5865	0	0	0	0.09	
-5868	C12	SLES	1	55.8811	68.0288	46.9017	CTL3	5865	5869	5870	5871	-0.27	
-5869	H12	SLES	1	55.5223	67.7789	47.9245	HAL3	5868	0	0	0	0.09	
-5870	H12	SLES	1	56.5877	67.2361	46.5705	HAL3	5868	0	0	0	0.09	
-5871	H12	SLES	1	55.0089	68.0364	46.2123	HAL3	5868	0	0	0	0.09	
-5872	NA	SLES	1	53.066	92.6907	45.2257	NA	0	0	0	0	1	
-5873	S	SLES	1	51.0388	91.1987	42.5772	SL	5874	5875	5876	5877	1.33	
-5874	OS1	SLES	1	51.8207	90.3272	43.7756	OSL	5873	5878	0	0	-0.28	
-5875	OS2	SLES	1	50.1559	92.1248	43.2556	O2L	5873	0	0	0	-0.65	
-5876	OS3	SLES	1	52.071	91.9295	41.872	O2L	5873	0	0	0	-0.65	
-5877	OS4	SLES	1	50.2793	90.3869	41.6398	O2L	5873	0	0	0	-0.65	
-5878	C2	SLES	1	51.3996	88.8985	43.733	CC32A	5874	5879	5880	5881	-0.11	
-5879	H2A	SLES	1	50.2798	88.8121	43.8087	HCA2	5878	0	0	0	0.09	
-5880	H2B	SLES	1	51.7339	88.4567	42.7536	HCA2	5878	0	0	0	0.09	
-5881	C1	SLES	1	52.0856	88.1076	44.9455	CC32A	5878	5882	5883	5884	-0.01	
-5882	H1B	SLES	1	51.8268	88.5975	45.9123	HCA2	5881	0	0	0	0.09	
-5883	H1A	SLES	1	53.1939	88.1146	44.8243	HCA2	5881	0	0	0	0.09	
-5884	O1	SLES	1	51.753	86.6906	45.1889	OC30A	5881	5885	0	0	-0.34	
-5885	C2	SLES	1	51.1397	85.9745	44.0963	CC32A	5884	5886	5887	5888	-0.01	
-5886	H2A	SLES	1	50.2083	86.5537	43.9419	HCA2	5885	0	0	0	0.09	
-5887	H2B	SLES	1	51.8357	86.1828	43.2527	HCA2	5885	0	0	0	0.09	
-5888	C1	SLES	1	50.8041	84.4504	44.1349	CC32A	5885	5889	5890	5891	-0.01	
-5889	H1B	SLES	1	49.7703	84.3035	44.5168	HCA2	5888	0	0	0	0.09	
-5890	H1A	SLES	1	50.8658	84.036	43.1087	HCA2	5888	0	0	0	0.09	
-5891	O1	SLES	1	51.5225	83.4905	44.9748	OC30A	5888	5892	0	0	-0.34	
-5892	C1	SLES	1	51.5884	82.1191	44.4374	CTL2	5891	5893	5894	5895	-0.18	
-5893	H11	SLES	1	50.8984	82.0733	43.5755	HAL2	5892	0	0	0	0.09	
-5894	H12	SLES	1	52.6315	82.0836	44.0605	HAL2	5892	0	0	0	0.09	
-5895	C2	SLES	1	51.323	80.8906	45.3949	CTL2	5892	5896	5897	5898	-0.18	
-5896	H21	SLES	1	51.0677	81.2682	46.4102	HAL2	5895	0	0	0	0.09	
-5897	H22	SLES	1	52.2545	80.2889	45.4775	HAL2	5895	0	0	0	0.09	
-5898	C3	SLES	1	50.1325	79.9487	44.8713	CTL2	5895	5899	5900	5901	-0.18	
-5899	H31	SLES	1	49.2223	80.1445	45.4808	HAL2	5898	0	0	0	0.09	
-5900	H32	SLES	1	49.9002	80.2108	43.8198	HAL2	5898	0	0	0	0.09	
-5901	C4	SLES	1	50.4826	78.405	44.9514	CTL2	5898	5902	5903	5904	-0.18	
-5902	H41	SLES	1	49.9768	77.967	45.8371	HAL2	5901	0	0	0	0.09	
-5903	H42	SLES	1	51.5788	78.286	45.0896	HAL2	5901	0	0	0	0.09	
-5904	C5	SLES	1	50.035	77.605	43.6458	CTL2	5901	5905	5906	5907	-0.18	
-5905	H51	SLES	1	49.2861	78.2098	43.0884	HAL2	5904	0	0	0	0.09	
-5906	H52	SLES	1	50.921	77.4641	42.9854	HAL2	5904	0	0	0	0.09	
-5907	C6	SLES	1	49.4109	76.1962	43.9731	CTL2	5904	5908	5909	5910	-0.18	
-5908	H61	SLES	1	48.4021	76.3414	44.4207	HAL2	5907	0	0	0	0.09	
-5909	H62	SLES	1	49.2857	75.6261	43.0229	HAL2	5907	0	0	0	0.09	
-5910	C7	SLES	1	50.2885	75.3588	44.9563	CTL2	5907	5911	5912	5913	-0.18	
-5911	H71	SLES	1	50.0913	75.698	45.9973	HAL2	5910	0	0	0	0.09	
-5912	H72	SLES	1	51.3629	75.5435	44.7326	HAL2	5910	0	0	0	0.09	
-5913	C8	SLES	1	50.0071	73.8386	44.8605	CTL2	5910	5914	5915	5916	-0.18	
-5914	H81	SLES	1	48.9055	73.6716	44.8581	HAL2	5913	0	0	0	0.09	
-5915	H82	SLES	1	50.4158	73.4527	43.899	HAL2	5913	0	0	0	0.09	
-5916	C9	SLES	1	50.6367	73.0452	46.033	CTL2	5913	5917	5918	5919	-0.18	
-5917	H91	SLES	1	50.25	73.4514	46.9952	HAL2	5916	0	0	0	0.09	
-5918	H92	SLES	1	51.7404	73.1902	46.0178	HAL2	5916	0	0	0	0.09	
-5919	C10	SLES	1	50.3254	71.5314	45.9633	CTL2	5916	5920	5921	5922	-0.18	
-5920	H10	SLES	1	49.2219	71.3849	46.0021	HAL2	5919	0	0	0	0.09	
-5921	H10	SLES	1	50.692	71.1291	44.9919	HAL2	5919	0	0	0	0.09	
-5922	C11	SLES	1	50.983	70.7357	47.1219	CTL2	5919	5923	5924	5925	-0.18	
-5923	H11	SLES	1	50.608	71.1372	48.0911	HAL2	5922	0	0	0	0.09	
-5924	H11	SLES	1	52.0844	70.8998	47.0899	HAL2	5922	0	0	0	0.09	
-5925	C12	SLES	1	50.7031	69.2114	47.0709	CTL3	5922	5926	5927	5928	-0.27	
-5926	H12	SLES	1	50.1849	68.8822	47.9984	HAL3	5925	0	0	0	0.09	
-5927	H12	SLES	1	51.6568	68.6462	46.9782	HAL3	5925	0	0	0	0.09	
-5928	H12	SLES	1	50.0592	68.965	46.1987	HAL3	5925	0	0	0	0.09	
-5929	NA	SLES	1	41.4697	92.296	45.5211	NA	0	0	0	0	1	
-5930	S	SLES	1	40.6393	90.4402	42.4852	SL	5931	5932	5933	5934	1.33	
-5931	OS1	SLES	1	41.3192	89.7575	43.8559	OSL	5930	5935	0	0	-0.28	
-5932	OS2	SLES	1	39.3971	91.0534	42.9075	O2L	5930	0	0	0	-0.65	
-5933	OS3	SLES	1	41.5659	91.4604	42.0412	O2L	5930	0	0	0	-0.65	
-5934	OS4	SLES	1	40.3853	89.4993	41.4059	O2L	5930	0	0	0	-0.65	
-5935	C2	SLES	1	41.3354	88.2721	43.7389	CC32A	5931	5936	5937	5938	-0.11	
-5936	H2A	SLES	1	40.3001	87.8782	43.5387	HCA2	5935	0	0	0	0.09	
-5937	H2B	SLES	1	42.0055	87.9886	42.8806	HCA2	5935	0	0	0	0.09	
-5938	C1	SLES	1	41.9004	87.6398	45.0981	CC32A	5935	5939	5940	5941	-0.01	
-5939	H1B	SLES	1	41.2901	87.9908	45.9618	HCA2	5938	0	0	0	0.09	
-5940	H1A	SLES	1	42.9581	87.9565	45.253	HCA2	5938	0	0	0	0.09	
-5941	O1	SLES	1	41.9264	86.1755	45.2799	OC30A	5938	5942	0	0	-0.34	
-5942	C2	SLES	1	41.8192	85.3745	44.0843	CC32A	5941	5943	5944	5945	-0.01	
-5943	H2A	SLES	1	40.8295	85.683	43.6944	HCA2	5942	0	0	0	0.09	
-5944	H2B	SLES	1	42.612	85.8077	43.4337	HCA2	5942	0	0	0	0.09	
-5945	C1	SLES	1	41.9217	83.8168	44.069	CC32A	5942	5946	5947	5948	-0.01	
-5946	H1B	SLES	1	40.9092	83.3731	44.1878	HCA2	5945	0	0	0	0.09	
-5947	H1A	SLES	1	42.342	83.4873	43.0977	HCA2	5945	0	0	0	0.09	
-5948	O1	SLES	1	42.6537	83.0498	45.0783	OC30A	5945	5949	0	0	-0.34	
-5949	C1	SLES	1	43.2262	81.7778	44.6005	CTL2	5948	5950	5951	5952	-0.18	
-5950	H11	SLES	1	42.8055	81.5879	43.5965	HAL2	5949	0	0	0	0.09	
-5951	H12	SLES	1	44.2968	82.0486	44.4923	HAL2	5949	0	0	0	0.09	
-5952	C2	SLES	1	43.0899	80.4772	45.4871	CTL2	5949	5953	5954	5955	-0.18	
-5953	H21	SLES	1	42.5023	80.7189	46.401	HAL2	5952	0	0	0	0.09	
-5954	H22	SLES	1	44.1033	80.1507	45.8079	HAL2	5952	0	0	0	0.09	
-5955	C3	SLES	1	42.3714	79.2725	44.7055	CTL2	5952	5956	5957	5958	-0.18	
-5956	H31	SLES	1	41.3235	79.1803	45.0686	HAL2	5955	0	0	0	0.09	
-5957	H32	SLES	1	42.3364	79.5132	43.6243	HAL2	5955	0	0	0	0.09	
-5958	C4	SLES	1	43.1068	77.8819	44.8993	CTL2	5955	5959	5960	5961	-0.18	
-5959	H41	SLES	1	42.5445	77.2781	45.6419	HAL2	5958	0	0	0	0.09	
-5960	H42	SLES	1	44.1257	78.0614	45.305	HAL2	5958	0	0	0	0.09	
-5961	C5	SLES	1	43.2283	77.0564	43.5396	CTL2	5958	5962	5963	5964	-0.18	
-5962	H51	SLES	1	42.4985	77.4598	42.8035	HAL2	5961	0	0	0	0.09	
-5963	H52	SLES	1	44.2507	77.1972	43.1202	HAL2	5961	0	0	0	0.09	
-5964	C6	SLES	1	42.9609	75.5159	43.7309	CTL2	5961	5965	5966	5967	-0.18	
-5965	H61	SLES	1	41.8745	75.3563	43.9139	HAL2	5964	0	0	0	0.09	
-5966	H62	SLES	1	43.2324	74.9818	42.7905	HAL2	5964	0	0	0	0.09	
-5967	C7	SLES	1	43.7723	74.903	44.9159	CTL2	5964	5968	5969	5970	-0.18	
-5968	H71	SLES	1	43.2433	75.1225	45.8697	HAL2	5967	0	0	0	0.09	
-5969	H72	SLES	1	44.7738	75.3863	44.9596	HAL2	5967	0	0	0	0.09	
-5970	C8	SLES	1	43.9565	73.3708	44.7836	CTL2	5967	5971	5972	5973	-0.18	
-5971	H81	SLES	1	42.9794	72.9084	44.5137	HAL2	5970	0	0	0	0.09	
-5972	H82	SLES	1	44.676	73.1605	43.9597	HAL2	5970	0	0	0	0.09	
-5973	C9	SLES	1	44.4795	72.7226	46.0901	CTL2	5970	5974	5975	5976	-0.18	
-5974	H91	SLES	1	43.7747	72.9583	46.9196	HAL2	5973	0	0	0	0.09	
-5975	H92	SLES	1	45.4689	73.1652	46.3439	HAL2	5973	0	0	0	0.09	
-5976	C10	SLES	1	44.6279	71.1869	45.9757	CTL2	5973	5977	5978	5979	-0.18	
-5977	H10	SLES	1	43.6333	70.7417	45.7448	HAL2	5976	0	0	0	0.09	
-5978	H10	SLES	1	45.3151	70.9499	45.1322	HAL2	5976	0	0	0	0.09	
-5979	C11	SLES	1	45.1808	70.5449	47.2757	CTL2	5976	5980	5981	5982	-0.18	
-5980	H11	SLES	1	44.4865	70.7791	48.1149	HAL2	5979	0	0	0	0.09	
-5981	H11	SLES	1	46.1668	71.0062	47.5122	HAL2	5979	0	0	0	0.09	
-5982	C12	SLES	1	45.3568	69.0069	47.1872	CTL3	5979	5983	5984	5985	-0.27	
-5983	H12	SLES	1	44.7426	68.5021	47.9652	HAL3	5982	0	0	0	0.09	
-5984	H12	SLES	1	46.423	68.7303	47.3429	HAL3	5982	0	0	0	0.09	
-5985	H12	SLES	1	45.0372	68.6374	46.1885	HAL3	5982	0	0	0	0.09	
-5986	NA	SLES	1	30.328	88.8498	45.6673	NA	0	0	0	0	1	
-5987	S	SLES	1	30.755	87.1808	42.4451	SL	5988	5989	5990	5991	1.33	
-5988	OS1	SLES	1	31.2804	86.5598	43.9098	OSL	5987	5992	0	0	-0.28	
-5989	OS2	SLES	1	29.3282	87.3904	42.5785	O2L	5987	0	0	0	-0.65	
-5990	OS3	SLES	1	31.4264	88.4535	42.283	O2L	5987	0	0	0	-0.65	
-5991	OS4	SLES	1	31.0254	86.3293	41.2977	O2L	5987	0	0	0	-0.65	
-5992	C2	SLES	1	31.745	85.1545	43.7377	CC32A	5988	5993	5994	5995	-0.11	
-5993	H2A	SLES	1	30.9362	84.5226	43.2755	HCA2	5992	0	0	0	0.09	
-5994	H2B	SLES	1	32.6408	85.1553	43.0568	HCA2	5992	0	0	0	0.09	
-5995	C1	SLES	1	32.1513	84.5523	45.1655	CC32A	5992	5996	5997	5998	-0.01	
-5996	H1B	SLES	1	31.2909	84.6315	45.869	HCA2	5995	0	0	0	0.09	
-5997	H1A	SLES	1	33.0131	85.1212	45.5859	HCA2	5995	0	0	0	0.09	
-5998	O1	SLES	1	32.553	83.1374	45.2862	OC30A	5995	5999	0	0	-0.34	
-5999	C2	SLES	1	32.9462	82.4717	44.0677	CC32A	5998	6000	6001	6002	-0.01	
-6000	H2A	SLES	1	32.0216	82.5452	43.4623	HCA2	5999	0	0	0	0.09	
-6001	H2B	SLES	1	33.7059	83.169	43.6481	HCA2	5999	0	0	0	0.09	
-6002	C1	SLES	1	33.4895	81.0092	44.012	CC32A	5999	6003	6004	6005	-0.01	
-6003	H1B	SLES	1	32.6455	80.301	43.8624	HCA2	6002	0	0	0	0.09	
-6004	H1A	SLES	1	34.1904	80.9115	43.1589	HCA2	6002	0	0	0	0.09	
-6005	O1	SLES	1	34.1675	80.3607	45.1356	OC30A	6002	6006	0	0	-0.34	
-6006	C1	SLES	1	35.1699	79.3475	44.7579	CTL2	6005	6007	6008	6009	-0.18	
-6007	H11	SLES	1	35.054	79.1623	43.6747	HAL2	6006	0	0	0	0.09	
-6008	H12	SLES	1	36.115	79.9045	44.9247	HAL2	6006	0	0	0	0.09	
-6009	C2	SLES	1	35.2175	77.9693	45.5292	CTL2	6006	6010	6011	6012	-0.18	
-6010	H21	SLES	1	34.3984	77.9445	46.2823	HAL2	6009	0	0	0	0.09	
-6011	H22	SLES	1	36.1847	77.8925	46.0725	HAL2	6009	0	0	0	0.09	
-6012	C3	SLES	1	35.0641	76.7088	44.5463	CTL2	6009	6013	6014	6015	-0.18	
-6013	H31	SLES	1	34.0328	76.3012	44.6397	HAL2	6012	0	0	0	0.09	
-6014	H32	SLES	1	35.2022	77.0475	43.5001	HAL2	6012	0	0	0	0.09	
-6015	C4	SLES	1	36.1037	75.5527	44.8541	CTL2	6012	6016	6017	6018	-0.18	
-6016	H41	SLES	1	35.5871	74.7437	45.4117	HAL2	6015	0	0	0	0.09	
-6017	H42	SLES	1	36.9128	75.9526	45.5024	HAL2	6015	0	0	0	0.09	
-6018	C5	SLES	1	36.7535	74.9424	43.5311	CTL2	6015	6019	6020	6021	-0.18	
-6019	H51	SLES	1	36.1207	75.2138	42.6574	HAL2	6018	0	0	0	0.09	
-6020	H52	SLES	1	37.7595	75.3959	43.3789	HAL2	6018	0	0	0	0.09	
-6021	C6	SLES	1	36.9011	73.3751	43.5865	CTL2	6018	6022	6023	6024	-0.18	
-6022	H61	SLES	1	35.893	72.9123	43.4931	HAL2	6021	0	0	0	0.09	
-6023	H62	SLES	1	37.5148	73.0384	42.7185	HAL2	6021	0	0	0	0.09	
-6024	C7	SLES	1	37.5703	72.8763	44.9061	CTL2	6021	6025	6026	6027	-0.18	
-6025	H71	SLES	1	36.8032	72.8415	45.7112	HAL2	6024	0	0	0	0.09	
-6026	H72	SLES	1	38.3567	73.6017	45.2122	HAL2	6024	0	0	0	0.09	
-6027	C8	SLES	1	38.2084	71.4726	44.758	CTL2	6024	6028	6029	6030	-0.18	
-6028	H81	SLES	1	37.4888	70.7983	44.2395	HAL2	6027	0	0	0	0.09	
-6029	H82	SLES	1	39.1217	71.553	44.1255	HAL2	6027	0	0	0	0.09	
-6030	C9	SLES	1	38.5917	70.8497	46.1238	CTL2	6027	6031	6032	6033	-0.18	
-6031	H91	SLES	1	37.6836	70.7971	46.7665	HAL2	6030	0	0	0	0.09	
-6032	H92	SLES	1	39.332	71.5102	46.6289	HAL2	6030	0	0	0	0.09	
-6033	C10	SLES	1	39.1935	69.4313	45.9842	CTL2	6030	6034	6035	6036	-0.18	
-6034	H10	SLES	1	38.4441	68.7644	45.5	HAL2	6033	0	0	0	0.09	
-6035	H10	SLES	1	40.0887	69.4795	45.3237	HAL2	6033	0	0	0	0.09	
-6036	C11	SLES	1	39.6045	68.823	47.3513	CTL2	6033	6037	6038	6039	-0.18	
-6037	H11	SLES	1	38.7045	68.7706	48.0058	HAL2	6036	0	0	0	0.09	
-6038	H11	SLES	1	40.3401	69.5023	47.8396	HAL2	6036	0	0	0	0.09	
-6039	C12	SLES	1	40.2269	67.4069	47.2434	CTL3	6036	6040	6041	6042	-0.27	
-6040	H12	SLES	1	39.6259	66.675	47.8268	HAL3	6039	0	0	0	0.09	
-6041	H12	SLES	1	41.2656	67.4099	47.6416	HAL3	6039	0	0	0	0.09	
-6042	H12	SLES	1	40.2553	67.0763	46.1823	HAL3	6039	0	0	0	0.09	
-6043	NA	SLES	1	20.4732	82.5794	45.6551	NA	0	0	0	0	1	
-6044	S	SLES	1	21.9619	81.6198	42.4594	SL	6045	6046	6047	6048	1.33	
-6045	OS1	SLES	1	22.3606	80.9317	43.9341	OSL	6044	6049	0	0	-0.28	
-6046	OS2	SLES	1	20.5371	81.4237	42.2891	O2L	6044	0	0	0	-0.65	
-6047	OS3	SLES	1	22.2531	83.0328	42.5822	O2L	6044	0	0	0	-0.65	
-6048	OS4	SLES	1	22.6777	81.0643	41.322	O2L	6044	0	0	0	-0.65	
-6049	C2	SLES	1	23.2367	79.7438	43.7294	CC32A	6045	6050	6051	6052	-0.11	
-6050	H2A	SLES	1	22.7475	79.0046	43.0356	HCA2	6049	0	0	0	0.09	
-6051	H2B	SLES	1	24.2047	80.0886	43.271	HCA2	6049	0	0	0	0.09	
-6052	C1	SLES	1	23.5251	79.0484	45.1435	CC32A	6049	6053	6054	6055	-0.01	
-6053	H1B	SLES	1	22.5628	78.7854	45.6399	HCA2	6052	0	0	0	0.09	
-6054	H1A	SLES	1	24.09	79.7484	45.8023	HCA2	6052	0	0	0	0.09	
-6055	O1	SLES	1	24.29	77.7879	45.2074	OC30A	6052	6056	0	0	-0.34	
-6056	C2	SLES	1	25.0804	77.4529	44.0475	CC32A	6055	6057	6058	6059	-0.01	
-6057	H2A	SLES	1	24.3048	77.3774	43.2604	HCA2	6056	0	0	0	0.09	
-6058	H2B	SLES	1	25.6698	78.3829	43.8823	HCA2	6056	0	0	0	0.09	
-6059	C1	SLES	1	26.0251	76.2125	43.9675	CC32A	6056	6060	6061	6062	-0.01	
-6060	H1B	SLES	1	25.4666	75.3413	43.5611	HCA2	6059	0	0	0	0.09	
-6061	H1A	SLES	1	26.8711	76.4401	43.2885	HCA2	6059	0	0	0	0.09	
-6062	O1	SLES	1	26.6389	75.593	45.1431	OC30A	6059	6063	0	0	-0.34	
-6063	C1	SLES	1	27.9444	74.9522	44.8999	CTL2	6062	6064	6065	6066	-0.18	
-6064	H11	SLES	1	28.0923	74.9193	43.8053	HAL2	6063	0	0	0	0.09	
-6065	H12	SLES	1	28.6385	75.7033	45.3304	HAL2	6063	0	0	0	0.09	
-6066	C2	SLES	1	28.2444	73.5296	45.5184	CTL2	6063	6067	6068	6069	-0.18	
-6067	H21	SLES	1	27.3418	73.1705	46.0615	HAL2	6066	0	0	0	0.09	
-6068	H22	SLES	1	29.0725	73.623	46.2546	HAL2	6066	0	0	0	0.09	
-6069	C3	SLES	1	28.6504	72.4474	44.4037	CTL2	6066	6070	6071	6072	-0.18	
-6070	H31	SLES	1	27.7833	71.7742	44.2211	HAL2	6069	0	0	0	0.09	
-6071	H32	SLES	1	28.8777	72.9736	43.4551	HAL2	6069	0	0	0	0.09	
-6072	C4	SLES	1	29.9036	71.5705	44.8186	CTL2	6069	6073	6074	6075	-0.18	
-6073	H41	SLES	1	29.5491	70.5758	45.1609	HAL2	6072	0	0	0	0.09	
-6074	H42	SLES	1	30.4255	72.0592	45.6693	HAL2	6072	0	0	0	0.09	
-6075	C5	SLES	1	30.9384	71.3722	43.6207	CTL2	6072	6076	6077	6078	-0.18	
-6076	H51	SLES	1	30.4296	71.6045	42.6592	HAL2	6075	0	0	0	0.09	
-6077	H52	SLES	1	31.7796	72.0919	43.7454	HAL2	6075	0	0	0	0.09	
-6078	C6	SLES	1	31.5213	69.9105	43.5488	CTL2	6075	6079	6080	6081	-0.18	
-6079	H61	SLES	1	30.7271	69.2208	43.1848	HAL2	6078	0	0	0	0.09	
-6080	H62	SLES	1	32.3576	69.8902	42.8115	HAL2	6078	0	0	0	0.09	
-6081	C7	SLES	1	32.0468	69.3998	44.9276	CTL2	6078	6082	6083	6084	-0.18	
-6082	H71	SLES	1	31.1862	69.0364	45.5318	HAL2	6081	0	0	0	0.09	
-6083	H72	SLES	1	32.517	70.2472	45.4745	HAL2	6081	0	0	0	0.09	
-6084	C8	SLES	1	33.0806	68.2551	44.7853	CTL2	6081	6085	6086	6087	-0.18	
-6085	H81	SLES	1	32.6981	67.5078	44.0528	HAL2	6084	0	0	0	0.09	
-6086	H82	SLES	1	34.0329	68.6724	44.3858	HAL2	6084	0	0	0	0.09	
-6087	C9	SLES	1	33.3652	67.5439	46.1321	CTL2	6084	6088	6089	6090	-0.18	
-6088	H91	SLES	1	32.4078	67.1526	46.5454	HAL2	6087	0	0	0	0.09	
-6089	H92	SLES	1	33.7736	68.2855	46.8549	HAL2	6087	0	0	0	0.09	
-6090	C10	SLES	1	34.3675	66.3743	45.9884	CTL2	6087	6091	6092	6093	-0.18	
-6091	H10	SLES	1	33.9485	65.6208	45.2831	HAL2	6090	0	0	0	0.09	
-6092	H10	SLES	1	35.3174	66.7607	45.5544	HAL2	6090	0	0	0	0.09	
-6093	C11	SLES	1	34.6736	65.684	47.344	CTL2	6090	6094	6095	6096	-0.18	
-6094	H11	SLES	1	33.7215	65.2932	47.7707	HAL2	6093	0	0	0	0.09	
-6095	H11	SLES	1	35.0753	66.445	48.0514	HAL2	6093	0	0	0	0.09	
-6096	C12	SLES	1	35.6888	64.5169	47.2359	CTL3	6093	6097	6098	6099	-0.27	
-6097	H12	SLES	1	35.2278	63.5693	47.5921	HAL3	6096	0	0	0	0.09	
-6098	H12	SLES	1	36.5881	64.7283	47.8557	HAL3	6096	0	0	0	0.09	
-6099	H12	SLES	1	36.0102	64.3799	46.1805	HAL3	6096	0	0	0	0.09	
-6100	NA	SLES	1	12.6351	73.9522	45.4854	NA	0	0	0	0	1	
-6101	S	SLES	1	14.7759	74.0795	42.5272	SL	6102	6103	6104	6105	1.33	
-6102	OS1	SLES	1	15.1448	73.2362	43.9272	OSL	6101	6106	0	0	-0.28	
-6103	OS2	SLES	1	13.5093	73.5572	42.0576	O2L	6101	0	0	0	-0.65	
-6104	OS3	SLES	1	14.622	75.4647	42.92	O2L	6101	0	0	0	-0.65	
-6105	OS4	SLES	1	15.7761	73.9713	41.4772	O2L	6101	0	0	0	-0.65	
-6106	C2	SLES	1	16.3489	72.3845	43.7145	CC32A	6102	6107	6108	6109	-0.11	
-6107	H2A	SLES	1	16.2	71.6991	42.8341	HCA2	6106	0	0	0	0.09	
-6108	H2B	SLES	1	17.229	73.055	43.5098	HCA2	6106	0	0	0	0.09	
-6109	C1	SLES	1	16.6243	71.5178	45.0334	CC32A	6106	6110	6111	6112	-0.01	
-6110	H1B	SLES	1	15.7203	70.9184	45.2886	HCA2	6109	0	0	0	0.09	
-6111	H1A	SLES	1	16.8613	72.1929	45.8884	HCA2	6109	0	0	0	0.09	
-6112	O1	SLES	1	17.7063	70.5143	45.0485	OC30A	6109	6113	0	0	-0.34	
-6113	C2	SLES	1	18.716	70.6383	44.025	CC32A	6112	6114	6115	6116	-0.01	
-6114	H2A	SLES	1	18.1158	70.5237	43.1012	HCA2	6113	0	0	0	0.09	
-6115	H2B	SLES	1	19.0258	71.7033	44.1216	HCA2	6113	0	0	0	0.09	
-6116	C1	SLES	1	19.9826	69.7297	43.9383	CC32A	6113	6117	6118	6119	-0.01	
-6117	H1B	SLES	1	19.7658	68.8437	43.3027	HCA2	6116	0	0	0	0.09	
-6118	H1A	SLES	1	20.8128	70.3022	43.4782	HCA2	6116	0	0	0	0.09	
-6119	O1	SLES	1	20.5775	69.0676	45.1004	OC30A	6116	6120	0	0	-0.34	
-6120	C1	SLES	1	22.0337	68.8522	45.0174	CTL2	6119	6121	6122	6123	-0.18	
-6121	H11	SLES	1	22.3383	69.0806	43.98	HAL2	6120	0	0	0	0.09	
-6122	H12	SLES	1	22.4103	69.6553	45.6839	HAL2	6120	0	0	0	0.09	
-6123	C2	SLES	1	22.6447	67.4625	45.4554	CTL2	6120	6124	6125	6126	-0.18	
-6124	H21	SLES	1	21.8186	66.7785	45.7527	HAL2	6123	0	0	0	0.09	
-6125	H22	SLES	1	23.2966	67.618	46.3428	HAL2	6123	0	0	0	0.09	
-6126	C3	SLES	1	23.5022	66.7717	44.2866	CTL2	6123	6127	6128	6129	-0.18	
-6127	H31	SLES	1	22.9041	65.9469	43.839	HAL2	6126	0	0	0	0.09	
-6128	H32	SLES	1	23.6981	67.5192	43.4922	HAL2	6126	0	0	0	0.09	
-6129	C4	SLES	1	24.8847	66.1868	44.795	CTL2	6126	6130	6131	6132	-0.18	
-6130	H41	SLES	1	24.7909	65.0863	44.9052	HAL2	6129	0	0	0	0.09	
-6131	H42	SLES	1	25.1154	66.6126	45.7952	HAL2	6129	0	0	0	0.09	
-6132	C5	SLES	1	26.0911	66.5113	43.8028	CTL2	6129	6133	6134	6135	-0.18	
-6133	H51	SLES	1	25.6782	66.7921	42.8088	HAL2	6132	0	0	0	0.09	
-6134	H52	SLES	1	26.6593	67.3849	44.1965	HAL2	6132	0	0	0	0.09	
-6135	C6	SLES	1	27.0788	65.2979	43.6203	CTL2	6132	6136	6137	6138	-0.18	
-6136	H61	SLES	1	26.5802	64.5131	43.0083	HAL2	6135	0	0	0	0.09	
-6137	H62	SLES	1	27.9804	65.6456	43.0636	HAL2	6135	0	0	0	0.09	
-6138	C7	SLES	1	27.5296	64.6744	44.979	CTL2	6135	6139	6140	6141	-0.18	
-6139	H71	SLES	1	26.7358	63.985	45.3429	HAL2	6138	0	0	0	0.09	
-6140	H72	SLES	1	27.6499	65.4866	45.7301	HAL2	6138	0	0	0	0.09	
-6141	C8	SLES	1	28.8615	63.892	44.8639	CTL2	6138	6142	6143	6144	-0.18	
-6142	H81	SLES	1	28.8213	63.2347	43.9652	HAL2	6141	0	0	0	0.09	
-6143	H82	SLES	1	29.6973	64.6149	44.7244	HAL2	6141	0	0	0	0.09	
-6144	C9	SLES	1	29.1473	63.0229	46.1143	CTL2	6141	6145	6146	6147	-0.18	
-6145	H91	SLES	1	28.2972	62.3205	46.2702	HAL2	6144	0	0	0	0.09	
-6146	H92	SLES	1	29.2151	63.6837	47.0077	HAL2	6144	0	0	0	0.09	
-6147	C10	SLES	1	30.4569	62.2091	45.9879	CTL2	6144	6148	6149	6150	-0.18	
-6148	H10	SLES	1	30.3801	61.5308	45.1076	HAL2	6147	0	0	0	0.09	
-6149	H10	SLES	1	31.3043	62.9092	45.8098	HAL2	6147	0	0	0	0.09	
-6150	C11	SLES	1	30.7557	61.3636	47.2542	CTL2	6147	6151	6152	6153	-0.18	
-6151	H11	SLES	1	29.9085	60.6603	47.4242	HAL2	6150	0	0	0	0.09	
-6152	H11	SLES	1	30.8137	62.044	48.1344	HAL2	6150	0	0	0	0.09	
-6153	C12	SLES	1	32.0717	60.5483	47.1653	CTL3	6150	6154	6155	6156	-0.27	
-6154	H12	SLES	1	31.8614	59.4616	47.2757	HAL3	6153	0	0	0	0.09	
-6155	H12	SLES	1	32.773	60.8572	47.9716	HAL3	6153	0	0	0	0.09	
-6156	H12	SLES	1	32.5652	60.7158	46.1832	HAL3	6153	0	0	0	0.09	
-6157	NA	SLES	1	7.36787	63.6276	45.1688	NA	0	0	0	0	1	
-6158	S	SLES	1	9.62924	64.9927	42.6443	SL	6159	6160	6161	6162	1.33	
-6159	OS1	SLES	1	10.103	63.9768	43.8895	OSL	6158	6163	0	0	-0.28	
-6160	OS2	SLES	1	8.61369	64.2786	41.8985	O2L	6158	0	0	0	-0.65	
-6161	OS3	SLES	1	9.04777	66.1592	43.2751	O2L	6158	0	0	0	-0.65	
-6162	OS4	SLES	1	10.7053	65.3968	41.7536	O2L	6158	0	0	0	-0.65	
-6163	C2	SLES	1	11.5157	63.5449	43.6941	CC32A	6159	6164	6165	6166	-0.11	
-6164	H2A	SLES	1	11.6485	63.0668	42.6837	HCA2	6163	0	0	0	0.09	
-6165	H2B	SLES	1	12.1787	64.4517	43.7582	HCA2	6163	0	0	0	0.09	
-6166	C1	SLES	1	11.9142	62.5011	44.8421	CC32A	6163	6167	6168	6169	-0.01	
-6167	H1B	SLES	1	11.2035	61.6428	44.8374	HCA2	6166	0	0	0	0.09	
-6168	H1A	SLES	1	11.8705	62.9985	45.839	HCA2	6166	0	0	0	0.09	
-6169	O1	SLES	1	13.2345	61.8423	44.8194	OC30A	6166	6170	0	0	-0.34	
-6170	C2	SLES	1	14.2503	62.4603	44.0016	CC32A	6169	6171	6172	6173	-0.01	
-6171	H2A	SLES	1	13.7916	62.4081	42.9948	HCA2	6170	0	0	0	0.09	
-6172	H2B	SLES	1	14.2292	63.5171	44.351	HCA2	6170	0	0	0	0.09	
-6173	C1	SLES	1	15.7281	61.9624	43.9262	CC32A	6170	6174	6175	6176	-0.01	
-6174	H1B	SLES	1	15.8329	61.222	43.1035	HCA2	6173	0	0	0	0.09	
-6175	H1A	SLES	1	16.3939	62.8233	43.7163	HCA2	6173	0	0	0	0.09	
-6176	O1	SLES	1	16.3855	61.2306	45.0102	OC30A	6173	6177	0	0	-0.34	
-6177	C1	SLES	1	17.8433	61.4311	45.1031	CTL2	6176	6178	6179	6180	-0.18	
-6178	H11	SLES	1	18.1579	61.9645	44.1879	HAL2	6177	0	0	0	0.09	
-6179	H12	SLES	1	17.9121	62.1287	45.9631	HAL2	6177	0	0	0	0.09	
-6180	C2	SLES	1	18.7896	60.189	45.3443	CTL2	6177	6181	6182	6183	-0.18	
-6181	H21	SLES	1	18.174	59.2622	45.3751	HAL2	6180	0	0	0	0.09	
-6182	H22	SLES	1	19.2889	60.3014	46.3315	HAL2	6180	0	0	0	0.09	
-6183	C3	SLES	1	19.9084	60.0372	44.2025	CTL2	6180	6184	6185	6186	-0.18	
-6184	H31	SLES	1	19.6157	59.2105	43.5175	HAL2	6183	0	0	0	0.09	
-6185	H32	SLES	1	19.9482	60.9723	43.609	HAL2	6183	0	0	0	0.09	
-6186	C4	SLES	1	21.3513	59.7357	44.7848	CTL2	6183	6187	6188	6189	-0.18	
-6187	H41	SLES	1	21.5706	58.6547	44.6608	HAL2	6186	0	0	0	0.09	
-6188	H42	SLES	1	21.3612	59.9645	45.8723	HAL2	6186	0	0	0	0.09	
-6189	C5	SLES	1	22.4939	60.586	44.066	CTL2	6186	6190	6191	6192	-0.18	
-6190	H51	SLES	1	22.1055	60.9698	43.0969	HAL2	6189	0	0	0	0.09	
-6191	H52	SLES	1	22.7487	61.4631	44.7039	HAL2	6189	0	0	0	0.09	
-6192	C6	SLES	1	23.8023	59.7514	43.7964	CTL2	6189	6193	6194	6195	-0.18	
-6193	H61	SLES	1	23.6071	59.0262	42.9747	HAL2	6192	0	0	0	0.09	
-6194	H62	SLES	1	24.6096	60.4428	43.4591	HAL2	6192	0	0	0	0.09	
-6195	C7	SLES	1	24.2942	58.9724	45.0571	CTL2	6192	6196	6197	6198	-0.18	
-6196	H71	SLES	1	23.7051	58.0338	45.1562	HAL2	6195	0	0	0	0.09	
-6197	H72	SLES	1	24.1086	59.5916	45.9629	HAL2	6195	0	0	0	0.09	
-6198	C8	SLES	1	25.8002	58.6165	44.9887	CTL2	6195	6199	6200	6201	-0.18	
-6199	H81	SLES	1	26.0301	58.1975	43.9823	HAL2	6198	0	0	0	0.09	
-6200	H82	SLES	1	26.4	59.5458	45.1199	HAL2	6198	0	0	0	0.09	
-6201	C9	SLES	1	26.2152	57.589	46.0716	CTL2	6198	6202	6203	6204	-0.18	
-6202	H91	SLES	1	25.5943	56.6714	45.9582	HAL2	6201	0	0	0	0.09	
-6203	H92	SLES	1	26.011	58.0197	47.0777	HAL2	6201	0	0	0	0.09	
-6204	C10	SLES	1	27.71	57.2005	45.9828	CTL2	6201	6205	6206	6207	-0.18	
-6205	H10	SLES	1	27.9094	56.748	44.9847	HAL2	6204	0	0	0	0.09	
-6206	H10	SLES	1	28.3308	58.1204	46.0738	HAL2	6204	0	0	0	0.09	
-6207	C11	SLES	1	28.1292	56.1948	47.0877	CTL2	6204	6208	6209	6210	-0.18	
-6208	H11	SLES	1	27.5101	55.2739	46.9882	HAL2	6207	0	0	0	0.09	
-6209	H11	SLES	1	27.9111	56.6444	48.0834	HAL2	6207	0	0	0	0.09	
-6210	C12	SLES	1	29.6272	55.7979	47.0358	CTL3	6207	6211	6212	6213	-0.27	
-6211	H12	SLES	1	29.7314	54.6991	46.8975	HAL3	6210	0	0	0	0.09	
-6212	H12	SLES	1	30.1363	56.0858	47.9821	HAL3	6210	0	0	0	0.09	
-6213	H12	SLES	1	30.1347	56.3113	46.1903	HAL3	6210	0	0	0	0.09	
-6214	NA	SLES	1	5	52.387	44.7251	NA	0	0	0	0	1	
-6215	S	SLES	1	6.84836	54.8851	42.8033	SL	6216	6217	6218	6219	1.33	
-6216	OS1	SLES	1	7.55717	53.7609	43.8235	OSL	6215	6220	0	0	-0.28	
-6217	OS2	SLES	1	6.09745	54.1298	41.8219	O2L	6215	0	0	0	-0.65	
-6218	OS3	SLES	1	5.94323	55.6608	43.6253	O2L	6215	0	0	0	-0.65	
-6219	OS4	SLES	1	7.78921	55.769	42.1339	O2L	6215	0	0	0	-0.65	
-6220	C2	SLES	1	9.03905	53.786	43.6692	CC32A	6216	6221	6222	6223	-0.11	
-6221	H2A	SLES	1	9.32914	53.624	42.5937	HCA2	6220	0	0	0	0.09	
-6222	H2B	SLES	1	9.41564	54.7932	44.0006	HCA2	6220	0	0	0	0.09	
-6223	C1	SLES	1	9.6862	52.6393	44.5818	CC32A	6220	6224	6225	6226	-0.01	
-6224	H1B	SLES	1	9.24851	51.6501	44.3145	HCA2	6223	0	0	0	0.09	
-6225	H1A	SLES	1	9.47643	52.8467	45.657	HCA2	6223	0	0	0	0.09	
-6226	O1	SLES	1	11.1393	52.3861	44.5346	OC30A	6223	6227	0	0	-0.34	
-6227	C2	SLES	1	11.9597	53.4352	43.9788	CC32A	6226	6228	6229	6230	-0.01	
-6228	H2A	SLES	1	11.5619	53.5101	42.9478	HCA2	6227	0	0	0	0.09	
-6229	H2B	SLES	1	11.6304	54.3283	44.5561	HCA2	6227	0	0	0	0.09	
-6230	C1	SLES	1	13.5194	53.387	43.9321	CC32A	6227	6231	6232	6233	-0.01	
-6231	H1B	SLES	1	13.852	52.9272	42.9761	HCA2	6230	0	0	0	0.09	
-6232	H1A	SLES	1	13.9192	54.4193	43.9876	HCA2	6230	0	0	0	0.09	
-6233	O1	SLES	1	14.3281	52.6162	44.878	OC30A	6230	6234	0	0	-0.34	
-6234	C1	SLES	1	15.6661	53.172	45.1515	CTL2	6233	6235	6236	6237	-0.18	
-6235	H11	SLES	1	15.8409	53.9778	44.4159	HAL2	6234	0	0	0	0.09	
-6236	H12	SLES	1	15.5111	53.6295	46.1505	HAL2	6234	0	0	0	0.09	
-6237	C2	SLES	1	16.9189	52.2101	45.1919	CTL2	6234	6238	6239	6240	-0.18	
-6238	H21	SLES	1	16.5908	51.1739	44.9525	HAL2	6237	0	0	0	0.09	
-6239	H22	SLES	1	17.3392	52.207	46.2214	HAL2	6237	0	0	0	0.09	
-6240	C3	SLES	1	18.0652	52.6492	44.1566	CTL2	6237	6241	6242	6243	-0.18	
-6241	H31	SLES	1	18.0374	51.9684	43.2768	HAL2	6240	0	0	0	0.09	
-6242	H32	SLES	1	17.854	53.6764	43.7981	HAL2	6240	0	0	0	0.09	
-6243	C4	SLES	1	19.5181	52.6134	44.7887	CTL2	6240	6244	6245	6246	-0.18	
-6244	H41	SLES	1	20.0382	51.6957	44.443	HAL2	6243	0	0	0	0.09	
-6245	H42	SLES	1	19.4334	52.5626	45.8956	HAL2	6243	0	0	0	0.09	
-6246	C5	SLES	1	20.3915	53.8887	44.3938	CTL2	6243	6247	6248	6249	-0.18	
-6247	H51	SLES	1	19.9364	54.3794	43.5052	HAL2	6246	0	0	0	0.09	
-6248	H52	SLES	1	20.3699	54.6178	45.2358	HAL2	6246	0	0	0	0.09	
-6249	C6	SLES	1	21.8897	53.5289	44.0661	CTL2	6246	6250	6251	6252	-0.18	
-6250	H61	SLES	1	21.9303	53.0024	43.0862	HAL2	6249	0	0	0	0.09	
-6251	H62	SLES	1	22.4765	54.4726	43.973	HAL2	6249	0	0	0	0.09	
-6252	C7	SLES	1	22.5482	52.6264	45.1569	CTL2	6249	6253	6254	6255	-0.18	
-6253	H71	SLES	1	22.2471	51.5695	44.9835	HAL2	6252	0	0	0	0.09	
-6254	H72	SLES	1	22.1703	52.9313	46.1582	HAL2	6252	0	0	0	0.09	
-6255	C8	SLES	1	24.0945	52.7164	45.152	CTL2	6252	6256	6257	6258	-0.18	
-6256	H81	SLES	1	24.4608	52.6346	44.1029	HAL2	6255	0	0	0	0.09	
-6257	H82	SLES	1	24.4025	53.711	45.5475	HAL2	6255	0	0	0	0.09	
-6258	C9	SLES	1	24.7546	51.6053	46.0066	CTL2	6255	6259	6260	6261	-0.18	
-6259	H91	SLES	1	24.4228	50.6115	45.6291	HAL2	6258	0	0	0	0.09	
-6260	H92	SLES	1	24.4097	51.7051	47.0604	HAL2	6258	0	0	0	0.09	
-6261	C10	SLES	1	26.3001	51.6668	45.9734	CTL2	6258	6262	6263	6264	-0.18	
-6262	H10	SLES	1	26.6465	51.5436	44.9219	HAL2	6261	0	0	0	0.09	
-6263	H10	SLES	1	26.6319	52.6683	46.3298	HAL2	6261	0	0	0	0.09	
-6264	C11	SLES	1	26.9574	50.5719	46.8548	CTL2	6261	6265	6266	6267	-0.18	
-6265	H11	SLES	1	26.6279	49.5721	46.4902	HAL2	6264	0	0	0	0.09	
-6266	H11	SLES	1	26.5942	50.688	47.9015	HAL2	6264	0	0	0	0.09	
-6267	C12	SLES	1	28.5074	50.6174	46.8558	CTL3	6264	6268	6269	6270	-0.27	
-6268	H12	SLES	1	28.9226	49.6558	46.4813	HAL3	6267	0	0	0	0.09	
-6269	H12	SLES	1	28.8883	50.7904	47.8865	HAL3	6267	0	0	0	0.09	
-6270	H12	SLES	1	28.871	51.4392	46.2012	HAL3	6267	0	0	0	0.09	
-6271	NA	SLES	1	5.61412	41.0517	44.1822	NA	0	0	0	0	1	
-6272	S	SLES	1	6.63241	44.3535	42.9941	SL	6273	6274	6275	6276	1.33	
-6273	OS1	SLES	1	7.65932	43.2551	43.7332	OSL	6272	6277	0	0	-0.28	
-6274	OS2	SLES	1	6.08548	43.6835	41.8325	O2L	6272	0	0	0	-0.65	
-6275	OS3	SLES	1	5.57757	44.6239	43.9485	O2L	6272	0	0	0	-0.65	
-6276	OS4	SLES	1	7.26859	45.5984	42.5941	O2L	6272	0	0	0	-0.65	
-6277	C2	SLES	1	9.0703	43.7253	43.6416	CC32A	6273	6278	6279	6280	-0.11	
-6278	H2A	SLES	1	9.35608	43.9174	42.5699	HCA2	6277	0	0	0	0.09	
-6279	H2B	SLES	1	9.16544	44.6847	44.2218	HCA2	6277	0	0	0	0.09	
-6280	C1	SLES	1	10.0404	42.6153	44.2687	CC32A	6277	6281	6282	6283	-0.01	
-6281	H1B	SLES	1	9.88387	41.6401	43.7529	HCA2	6280	0	0	0	0.09	
-6282	H1A	SLES	1	9.81925	42.4877	45.354	HCA2	6280	0	0	0	0.09	
-6283	O1	SLES	1	11.5044	42.7927	44.2119	OC30A	6280	6284	0	0	-0.34	
-6284	C2	SLES	1	11.9832	44.1302	43.958	CC32A	6283	6285	6286	6287	-0.01	
-6285	H2A	SLES	1	11.5444	44.3416	42.9632	HCA2	6284	0	0	0	0.09	
-6286	H2B	SLES	1	11.4404	44.7285	44.724	HCA2	6284	0	0	0	0.09	
-6287	C1	SLES	1	13.493	44.5275	43.9555	CC32A	6284	6288	6289	6290	-0.01	
-6288	H1B	SLES	1	13.906	44.4253	42.9283	HCA2	6287	0	0	0	0.09	
-6289	H1A	SLES	1	13.5938	45.584	44.2752	HCA2	6287	0	0	0	0.09	
-6290	O1	SLES	1	14.5156	43.8034	44.7123	OC30A	6287	6291	0	0	-0.34	
-6291	C1	SLES	1	15.6568	44.6228	45.1598	CTL2	6290	6292	6293	6294	-0.18	
-6292	H11	SLES	1	15.5765	45.5997	44.6496	HAL2	6291	0	0	0	0.09	
-6293	H12	SLES	1	15.4165	44.7614	46.2341	HAL2	6291	0	0	0	0.09	
-6294	C2	SLES	1	17.1272	44.0647	45.0078	CTL2	6291	6295	6296	6297	-0.18	
-6295	H21	SLES	1	17.0898	43.0693	44.5114	HAL2	6294	0	0	0	0.09	
-6296	H22	SLES	1	17.5676	43.9266	46.0195	HAL2	6294	0	0	0	0.09	
-6297	C3	SLES	1	18.0706	45.0422	44.1517	CTL2	6294	6298	6299	6300	-0.18	
-6298	H31	SLES	1	18.2013	44.6164	43.1319	HAL2	6297	0	0	0	0.09	
-6299	H32	SLES	1	17.5717	46.0263	44.0477	HAL2	6297	0	0	0	0.09	
-6300	C4	SLES	1	19.4981	45.2559	44.8064	CTL2	6297	6301	6302	6303	-0.18	
-6301	H41	SLES	1	20.239	44.6308	44.2655	HAL2	6300	0	0	0	0.09	
-6302	H42	SLES	1	19.4695	44.9151	45.8637	HAL2	6300	0	0	0	0.09	
-6303	C5	SLES	1	19.971	46.779	44.7655	CTL2	6300	6304	6305	6306	-0.18	
-6304	H51	SLES	1	19.3674	47.3263	44.0082	HAL2	6303	0	0	0	0.09	
-6305	H52	SLES	1	19.7783	47.2452	45.7587	HAL2	6303	0	0	0	0.09	
-6306	C6	SLES	1	21.4979	46.9383	44.4124	CTL2	6303	6307	6308	6309	-0.18	
-6307	H61	SLES	1	21.6481	46.6992	43.3356	HAL2	6306	0	0	0	0.09	
-6308	H62	SLES	1	21.7977	48.0002	44.573	HAL2	6306	0	0	0	0.09	
-6309	C7	SLES	1	22.4177	46.0149	45.2722	CTL2	6306	6310	6311	6312	-0.18	
-6310	H71	SLES	1	22.4143	44.9915	44.8357	HAL2	6309	0	0	0	0.09	
-6311	H72	SLES	1	22.0056	45.9495	46.3039	HAL2	6309	0	0	0	0.09	
-6312	C8	SLES	1	23.878	46.5267	45.3435	CTL2	6309	6313	6314	6315	-0.18	
-6313	H81	SLES	1	24.2157	46.8079	44.3196	HAL2	6312	0	0	0	0.09	
-6314	H82	SLES	1	23.9128	47.4399	45.9803	HAL2	6312	0	0	0	0.09	
-6315	C9	SLES	1	24.8486	45.4676	45.9236	CTL2	6312	6316	6317	6318	-0.18	
-6316	H91	SLES	1	24.7911	44.5442	45.3035	HAL2	6315	0	0	0	0.09	
-6317	H92	SLES	1	24.5266	45.2078	46.9571	HAL2	6315	0	0	0	0.09	
-6318	C10	SLES	1	26.3149	45.9597	45.9604	CTL2	6315	6319	6320	6321	-0.18	
-6319	H10	SLES	1	26.6448	46.1974	44.9234	HAL2	6318	0	0	0	0.09	
-6320	H10	SLES	1	26.3695	46.8952	46.5618	HAL2	6318	0	0	0	0.09	
-6321	C11	SLES	1	27.2794	44.9081	46.5702	CTL2	6318	6322	6323	6324	-0.18	
-6322	H11	SLES	1	27.2263	43.9767	45.9612	HAL2	6321	0	0	0	0.09	
-6323	H11	SLES	1	26.935	44.6602	47.6002	HAL2	6321	0	0	0	0.09	
-6324	C12	SLES	1	28.7556	45.3783	46.6364	CTL3	6321	6325	6326	6327	-0.27	
-6325	H12	SLES	1	29.4068	44.6904	46.0533	HAL3	6324	0	0	0	0.09	
-6326	H12	SLES	1	29.1097	45.3927	47.6909	HAL3	6324	0	0	0	0.09	
-6327	H12	SLES	1	28.8549	46.4024	46.2154	HAL3	6324	0	0	0	0.09	
-6328	NA	SLES	1	9.0583	30.4027	43.5743	NA	0	0	0	0	1	
-6329	S	SLES	1	9.03482	34.0378	43.2049	SL	6330	6331	6332	6333	1.33	
-6330	OS1	SLES	1	10.3842	33.1375	43.6243	OSL	6329	6334	0	0	-0.28	
-6331	OS2	SLES	1	8.58075	33.5232	41.9296	O2L	6329	0	0	0	-0.65	
-6332	OS3	SLES	1	8.04125	33.7732	44.2245	O2L	6329	0	0	0	-0.65	
-6333	OS4	SLES	1	9.27228	35.4689	43.1053	O2L	6329	0	0	0	-0.65	
-6334	C2	SLES	1	11.6017	33.9966	43.6129	CC32A	6330	6335	6336	6337	-0.11	
-6335	H2A	SLES	1	11.7227	34.5006	42.6137	HCA2	6334	0	0	0	0.09	
-6336	H2B	SLES	1	11.4899	34.7851	44.4078	HCA2	6334	0	0	0	0.09	
-6337	C1	SLES	1	12.8892	33.0949	43.9225	CC32A	6334	6338	6339	6340	-0.01	
-6338	H1B	SLES	1	12.9524	32.2596	43.1878	HCA2	6337	0	0	0	0.09	
-6339	H1A	SLES	1	12.8141	32.6661	44.9489	HCA2	6337	0	0	0	0.09	
-6340	O1	SLES	1	14.2394	33.6883	43.8716	OC30A	6337	6341	0	0	-0.34	
-6341	C2	SLES	1	14.3151	35.1277	43.9405	CC32A	6340	6342	6343	6344	-0.01	
-6342	H2A	SLES	1	13.7435	35.4268	43.0401	HCA2	6341	0	0	0	0.09	
-6343	H2B	SLES	1	13.7064	35.3567	44.8441	HCA2	6341	0	0	0	0.09	
-6344	C1	SLES	1	15.6553	35.9266	43.9949	CC32A	6341	6345	6346	6347	-0.01	
-6345	H1B	SLES	1	15.9815	36.1824	42.9633	HCA2	6344	0	0	0	0.09	
-6346	H1A	SLES	1	15.4983	36.8665	44.5611	HCA2	6344	0	0	0	0.09	
-6347	O1	SLES	1	16.9016	35.3697	44.5234	OC30A	6344	6348	0	0	-0.34	
-6348	C1	SLES	1	17.8177	36.3547	45.1272	CTL2	6347	6349	6350	6351	-0.18	
-6349	H11	SLES	1	17.43	37.3581	44.8745	HAL2	6348	0	0	0	0.09	
-6350	H12	SLES	1	17.6516	36.171	46.2088	HAL2	6348	0	0	0	0.09	
-6351	C2	SLES	1	19.3627	36.2865	44.8037	CTL2	6348	6352	6353	6354	-0.18	
-6352	H21	SLES	1	19.5475	35.4617	44.0796	HAL2	6351	0	0	0	0.09	
-6353	H22	SLES	1	19.9177	36.0523	45.7384	HAL2	6351	0	0	0	0.09	
-6354	C3	SLES	1	19.9235	37.6596	44.1883	CTL2	6351	6355	6356	6357	-0.18	
-6355	H31	SLES	1	20.0667	37.5322	43.0921	HAL2	6354	0	0	0	0.09	
-6356	H32	SLES	1	19.1709	38.4584	44.3421	HAL2	6354	0	0	0	0.09	
-6357	C4	SLES	1	21.2963	38.1143	44.8367	CTL2	6354	6358	6359	6360	-0.18	
-6358	H41	SLES	1	22.1234	37.8653	44.1395	HAL2	6357	0	0	0	0.09	
-6359	H42	SLES	1	21.4604	37.5479	45.7786	HAL2	6357	0	0	0	0.09	
-6360	C5	SLES	1	21.3365	39.6765	45.1577	CTL2	6357	6361	6362	6363	-0.18	
-6361	H51	SLES	1	20.5392	40.1876	44.5743	HAL2	6360	0	0	0	0.09	
-6362	H52	SLES	1	21.1204	39.8299	46.2397	HAL2	6360	0	0	0	0.09	
-6363	C6	SLES	1	22.7239	40.3383	44.8136	CTL2	6360	6364	6365	6366	-0.18	
-6364	H61	SLES	1	22.8303	40.4035	43.7074	HAL2	6363	0	0	0	0.09	
-6365	H62	SLES	1	22.7411	41.376	45.2215	HAL2	6363	0	0	0	0.09	
-6366	C7	SLES	1	23.935	39.5432	45.3958	CTL2	6363	6367	6368	6369	-0.18	
-6367	H71	SLES	1	24.1655	38.6884	44.722	HAL2	6366	0	0	0	0.09	
-6368	H72	SLES	1	23.6551	39.1305	46.3906	HAL2	6366	0	0	0	0.09	
-6369	C8	SLES	1	25.204	40.4179	45.5511	CTL2	6366	6370	6371	6372	-0.18	
-6370	H81	SLES	1	25.3553	41.0088	44.6187	HAL2	6369	0	0	0	0.09	
-6371	H82	SLES	1	25.0522	41.1333	46.3911	HAL2	6369	0	0	0	0.09	
-6372	C9	SLES	1	26.4739	39.5745	45.8275	CTL2	6369	6373	6374	6375	-0.18	
-6373	H91	SLES	1	26.6083	38.8392	45.0018	HAL2	6372	0	0	0	0.09	
-6374	H92	SLES	1	26.3327	39.0057	46.7741	HAL2	6372	0	0	0	0.09	
-6375	C10	SLES	1	27.7506	40.4403	45.9445	CTL2	6372	6376	6377	6378	-0.18	
-6376	H10	SLES	1	27.905	40.9915	44.9889	HAL2	6375	0	0	0	0.09	
-6377	H10	SLES	1	27.6084	41.1902	46.7552	HAL2	6375	0	0	0	0.09	
-6378	C11	SLES	1	29.0154	39.5954	46.2518	CTL2	6375	6379	6380	6381	-0.18	
-6379	H11	SLES	1	29.1572	38.8514	45.4347	HAL2	6378	0	0	0	0.09	
-6380	H11	SLES	1	28.8493	39.0322	47.1985	HAL2	6378	0	0	0	0.09	
-6381	C12	SLES	1	30.3103	40.4369	46.3915	CTL3	6378	6382	6383	6384	-0.27	
-6382	H12	SLES	1	31.0643	40.1137	45.6403	HAL3	6381	0	0	0	0.09	
-6383	H12	SLES	1	30.7456	40.3106	47.4074	HAL3	6381	0	0	0	0.09	
-6384	H12	SLES	1	30.0906	41.515	46.2319	HAL3	6381	0	0	0	0.09	
-6385	NA	SLES	1	14.9836	21.1152	42.9396	NA	0	0	0	0	1	
-6386	S	SLES	1	13.95	24.5863	43.4224	SL	6387	6388	6389	6390	1.33	
-6387	OS1	SLES	1	15.5355	24.0506	43.5037	OSL	6386	6391	0	0	-0.28	
-6388	OS2	SLES	1	13.4635	24.2243	42.1072	O2L	6386	0	0	0	-0.65	
-6389	OS3	SLES	1	13.2236	23.8502	44.4358	O2L	6386	0	0	0	-0.65	
-6390	OS4	SLES	1	13.7851	26.0153	43.6354	O2L	6386	0	0	0	-0.65	
-6391	C2	SLES	1	16.4684	25.2097	43.585	CC32A	6387	6392	6393	6394	-0.11	
-6392	H2A	SLES	1	16.303	25.9138	42.7224	HCA2	6391	0	0	0	0.09	
-6393	H2B	SLES	1	16.2722	25.7594	44.547	HCA2	6391	0	0	0	0.09	
-6394	C1	SLES	1	17.9789	24.6764	43.565	CC32A	6391	6395	6396	6397	-0.01	
-6395	H1B	SLES	1	18.1501	24.0569	42.6547	HCA2	6394	0	0	0	0.09	
-6396	H1A	SLES	1	18.1723	24.0506	44.4673	HCA2	6394	0	0	0	0.09	
-6397	O1	SLES	1	19.1024	25.6327	43.5351	OC30A	6394	6398	0	0	-0.34	
-6398	C2	SLES	1	18.806	26.9894	43.9275	CC32A	6397	6399	6400	6401	-0.01	
-6399	H2A	SLES	1	18.049	27.2818	43.1736	HCA2	6398	0	0	0	0.09	
-6400	H2B	SLES	1	18.2994	26.8498	44.909	HCA2	6398	0	0	0	0.09	
-6401	C1	SLES	1	19.8815	28.1146	44.0479	CC32A	6398	6402	6403	6404	-0.01	
-6402	H1B	SLES	1	19.9723	28.652	43.0789	HCA2	6401	0	0	0	0.09	
-6403	H1A	SLES	1	19.5684	28.8381	44.8271	HCA2	6401	0	0	0	0.09	
-6404	O1	SLES	1	21.2945	27.8493	44.3232	OC30A	6401	6405	0	0	-0.34	
-6405	C1	SLES	1	21.9981	28.9179	45.056	CTL2	6404	6406	6407	6408	-0.18	
-6406	H11	SLES	1	21.327	29.7955	45.0763	HAL2	6405	0	0	0	0.09	
-6407	H12	SLES	1	22.0484	28.4846	46.0762	HAL2	6405	0	0	0	0.09	
-6408	C2	SLES	1	23.441	29.3645	44.5923	CTL2	6405	6409	6410	6411	-0.18	
-6409	H21	SLES	1	23.7268	28.788	43.6841	HAL2	6408	0	0	0	0.09	
-6410	H22	SLES	1	24.1702	29.1214	45.3958	HAL2	6408	0	0	0	0.09	
-6411	C3	SLES	1	23.5231	30.9343	44.2639	CTL2	6408	6412	6413	6414	-0.18	
-6412	H31	SLES	1	23.5307	31.0724	43.1598	HAL2	6411	0	0	0	0.09	
-6413	H32	SLES	1	22.6182	31.4346	44.6628	HAL2	6411	0	0	0	0.09	
-6414	C4	SLES	1	24.8083	31.6295	44.8779	CTL2	6411	6415	6416	6417	-0.18	
-6415	H41	SLES	1	25.5589	31.7728	44.0727	HAL2	6414	0	0	0	0.09	
-6416	H42	SLES	1	25.2534	30.9607	45.6457	HAL2	6414	0	0	0	0.09	
-6417	C5	SLES	1	24.4831	33.0412	45.5459	CTL2	6414	6418	6419	6420	-0.18	
-6418	H51	SLES	1	23.5021	33.4045	45.1678	HAL2	6417	0	0	0	0.09	
-6419	H52	SLES	1	24.3971	32.9092	46.6487	HAL2	6417	0	0	0	0.09	
-6420	C6	SLES	1	25.5806	34.1302	45.2444	CTL2	6417	6421	6422	6423	-0.18	
-6421	H61	SLES	1	25.5009	34.44	44.1782	HAL2	6420	0	0	0	0.09	
-6422	H62	SLES	1	25.3844	35.0269	45.8777	HAL2	6420	0	0	0	0.09	
-6423	C7	SLES	1	27.0307	33.6209	45.5199	CTL2	6420	6424	6425	6426	-0.18	
-6424	H71	SLES	1	27.3754	33.0196	44.6496	HAL2	6423	0	0	0	0.09	
-6425	H72	SLES	1	27.0198	32.9573	46.4131	HAL2	6423	0	0	0	0.09	
-6426	C8	SLES	1	28.0332	34.7766	45.7618	CTL2	6423	6427	6428	6429	-0.18	
-6427	H81	SLES	1	27.8839	35.5577	44.9814	HAL2	6426	0	0	0	0.09	
-6428	H82	SLES	1	27.8248	35.2374	46.7542	HAL2	6426	0	0	0	0.09	
-6429	C9	SLES	1	29.5068	34.2993	45.7246	CTL2	6426	6430	6431	6432	-0.18	
-6430	H91	SLES	1	29.7059	33.8122	44.7431	HAL2	6429	0	0	0	0.09	
-6431	H92	SLES	1	29.6622	33.5392	46.5231	HAL2	6429	0	0	0	0.09	
-6432	C10	SLES	1	30.5134	35.4566	45.9267	CTL2	6429	6433	6434	6435	-0.18	
-6433	H10	SLES	1	30.3739	36.2059	45.1144	HAL2	6432	0	0	0	0.09	
-6434	H10	SLES	1	30.3007	35.9582	46.8978	HAL2	6432	0	0	0	0.09	
-6435	C11	SLES	1	31.987	34.9703	45.9195	CTL2	6432	6436	6437	6438	-0.18	
-6436	H11	SLES	1	32.1968	34.4754	44.9437	HAL2	6435	0	0	0	0.09	
-6437	H11	SLES	1	32.1171	34.2081	46.7215	HAL2	6435	0	0	0	0.09	
-6438	C12	SLES	1	33.0207	36.1055	46.1365	CTL3	6435	6439	6440	6441	-0.27	
-6439	H12	SLES	1	33.7132	36.1689	45.2683	HAL3	6438	0	0	0	0.09	
-6440	H12	SLES	1	33.6195	35.9129	47.054	HAL3	6438	0	0	0	0.09	
-6441	H12	SLES	1	32.5039	37.0834	46.2496	HAL3	6438	0	0	0	0.09	
-6442	NA	SLES	1	22.8988	13.7138	42.3179	NA	0	0	0	0	1	
-6443	S	SLES	1	21.1089	16.6151	43.6329	SL	6444	6445	6446	6447	1.33	
-6444	OS1	SLES	1	22.7641	16.559	43.379	OSL	6443	6448	0	0	-0.28	
-6445	OS2	SLES	1	20.4899	16.334	42.3541	O2L	6443	0	0	0	-0.65	
-6446	OS3	SLES	1	20.8088	15.5522	44.5693	O2L	6443	0	0	0	-0.65	
-6447	OS4	SLES	1	20.6213	17.8832	44.1511	O2L	6443	0	0	0	-0.65	
-6448	C2	SLES	1	23.3601	17.9127	43.5596	CC32A	6444	6449	6450	6451	-0.11	
-6449	H2A	SLES	1	22.854	18.6621	42.8892	HCA2	6448	0	0	0	0.09	
-6450	H2B	SLES	1	23.2164	18.2263	44.6306	HCA2	6448	0	0	0	0.09	
-6451	C1	SLES	1	24.9242	17.8528	43.2186	CC32A	6448	6452	6453	6454	-0.01	
-6452	H1B	SLES	1	25.0724	17.4581	42.1872	HCA2	6451	0	0	0	0.09	
-6453	H1A	SLES	1	25.4441	17.1794	43.9393	HCA2	6451	0	0	0	0.09	
-6454	O1	SLES	1	25.732	19.0878	43.2235	OC30A	6451	6455	0	0	-0.34	
-6455	C2	SLES	1	25.1733	20.2218	43.9197	CC32A	6454	6456	6457	6458	-0.01	
-6456	H2A	SLES	1	24.2358	20.3932	43.3553	HCA2	6455	0	0	0	0.09	
-6457	H2B	SLES	1	24.9196	19.7911	44.9144	HCA2	6455	0	0	0	0.09	
-6458	C1	SLES	1	25.9206	21.5791	44.1112	CC32A	6455	6459	6460	6461	-0.01	
-6459	H1B	SLES	1	25.6798	22.2621	43.2677	HCA2	6458	0	0	0	0.09	
-6460	H1A	SLES	1	25.5858	22.0508	45.0567	HCA2	6458	0	0	0	0.09	
-6461	O1	SLES	1	27.3795	21.6981	44.1243	OC30A	6458	6462	0	0	-0.34	
-6462	C1	SLES	1	27.9076	22.7993	44.9505	CTL2	6461	6463	6464	6465	-0.18	
-6463	H11	SLES	1	27.0478	23.429	45.2424	HAL2	6462	0	0	0	0.09	
-6464	H12	SLES	1	28.2647	22.2477	45.8447	HAL2	6462	0	0	0	0.09	
-6465	C2	SLES	1	29.0668	23.713	44.3869	CTL2	6462	6466	6467	6468	-0.18	
-6466	H21	SLES	1	29.3127	23.392	43.35	HAL2	6465	0	0	0	0.09	
-6467	H22	SLES	1	29.9748	23.5724	45.0133	HAL2	6465	0	0	0	0.09	
-6468	C3	SLES	1	28.672	25.2695	44.3739	CTL2	6465	6469	6470	6471	-0.18	
-6469	H31	SLES	1	28.4305	25.5722	43.3307	HAL2	6468	0	0	0	0.09	
-6470	H32	SLES	1	27.7623	25.4166	44.9897	HAL2	6468	0	0	0	0.09	
-6471	C4	SLES	1	29.8247	26.206	44.9272	CTL2	6468	6472	6473	6474	-0.18	
-6472	H41	SLES	1	30.3424	26.6842	44.0696	HAL2	6471	0	0	0	0.09	
-6473	H42	SLES	1	30.568	25.5861	45.4733	HAL2	6471	0	0	0	0.09	
-6474	C5	SLES	1	29.2776	27.341	45.9057	CTL2	6471	6475	6476	6477	-0.18	
-6475	H51	SLES	1	28.182	27.4562	45.7515	HAL2	6474	0	0	0	0.09	
-6476	H52	SLES	1	29.4431	27.0215	46.96	HAL2	6474	0	0	0	0.09	
-6477	C6	SLES	1	29.9738	28.7356	45.6779	CTL2	6474	6478	6479	6480	-0.18	
-6478	H61	SLES	1	29.6124	29.169	44.7184	HAL2	6477	0	0	0	0.09	
-6479	H62	SLES	1	29.6764	29.4273	46.5004	HAL2	6477	0	0	0	0.09	
-6480	C7	SLES	1	31.5315	28.6351	45.6366	CTL2	6477	6481	6482	6483	-0.18	
-6481	H71	SLES	1	31.8468	28.302	44.623	HAL2	6480	0	0	0	0.09	
-6482	H72	SLES	1	31.8663	27.8678	46.3698	HAL2	6480	0	0	0	0.09	
-6483	C8	SLES	1	32.2251	29.9812	45.9623	CTL2	6480	6484	6485	6486	-0.18	
-6484	H81	SLES	1	31.7299	30.7953	45.3849	HAL2	6483	0	0	0	0.09	
-6485	H82	SLES	1	32.099	30.2026	47.0466	HAL2	6483	0	0	0	0.09	
-6486	C9	SLES	1	33.7364	29.966	45.6213	CTL2	6483	6487	6488	6489	-0.18	
-6487	H91	SLES	1	33.8628	29.7154	44.5435	HAL2	6486	0	0	0	0.09	
-6488	H92	SLES	1	34.2354	29.1707	46.2196	HAL2	6486	0	0	0	0.09	
-6489	C10	SLES	1	34.4259	31.3209	45.9081	CTL2	6486	6490	6491	6492	-0.18	
-6490	H10	SLES	1	33.942	32.1127	45.2919	HAL2	6489	0	0	0	0.09	
-6491	H10	SLES	1	34.2808	31.5828	46.9806	HAL2	6489	0	0	0	0.09	
-6492	C11	SLES	1	35.9453	31.2926	45.5943	CTL2	6489	6493	6494	6495	-0.18	
-6493	H11	SLES	1	36.0849	31.0368	44.519	HAL2	6492	0	0	0	0.09	
-6494	H11	SLES	1	36.4215	30.4874	46.1992	HAL2	6492	0	0	0	0.09	
-6495	C12	SLES	1	36.669	32.6323	45.8873	CTL3	6492	6496	6497	6498	-0.27	
-6496	H12	SLES	1	37.1404	33.0277	44.9607	HAL3	6495	0	0	0	0.09	
-6497	H12	SLES	1	37.4624	32.4837	46.6528	HAL3	6495	0	0	0	0.09	
-6498	H12	SLES	1	35.9469	33.3873	46.2676	HAL3	6495	0	0	0	0.09	
-6499	NA	SLES	1	32.2307	8.5548	41.7483	NA	0	0	0	0	1	
-6500	S	SLES	1	30.0859	10.6632	43.8231	SL	6501	6502	6503	6504	1.33	
-6501	OS1	SLES	1	31.5969	11.1158	43.2579	OSL	6500	6505	0	0	-0.28	
-6502	OS2	SLES	1	29.2911	10.3456	42.6548	O2L	6500	0	0	0	-0.65	
-6503	OS3	SLES	1	30.2935	9.4698	44.6165	O2L	6500	0	0	0	-0.65	
-6504	OS4	SLES	1	29.4123	11.676	44.62	O2L	6500	0	0	0	-0.65	
-6505	C2	SLES	1	31.8418	12.5586	43.5383	CC32A	6501	6506	6507	6508	-0.11	
-6506	H2A	SLES	1	31.0196	13.1928	43.1036	HCA2	6505	0	0	0	0.09	
-6507	H2B	SLES	1	31.8656	12.7068	44.6534	HCA2	6505	0	0	0	0.09	
-6508	C1	SLES	1	33.2488	12.9899	42.9051	CC32A	6505	6509	6510	6511	-0.01	
-6509	H1B	SLES	1	33.2594	12.7618	41.8145	HCA2	6508	0	0	0	0.09	
-6510	H1A	SLES	1	34.0752	12.427	43.3982	HCA2	6508	0	0	0	0.09	
-6511	O1	SLES	1	33.6841	14.399	42.9565	OC30A	6508	6512	0	0	-0.34	
-6512	C2	SLES	1	33.0191	15.2455	43.9176	CC32A	6511	6513	6514	6515	-0.01	
-6513	H2A	SLES	1	31.9674	15.1938	43.5738	HCA2	6512	0	0	0	0.09	
-6514	H2B	SLES	1	33.1175	14.6613	44.8601	HCA2	6512	0	0	0	0.09	
-6515	C1	SLES	1	33.4075	16.7345	44.1808	CC32A	6512	6516	6517	6518	-0.01	
-6516	H1B	SLES	1	32.8128	17.4001	43.5179	HCA2	6515	0	0	0	0.09	
-6517	H1A	SLES	1	33.1823	16.9905	45.2354	HCA2	6515	0	0	0	0.09	
-6518	O1	SLES	1	34.7484	17.2698	43.9391	OC30A	6515	6519	0	0	-0.34	
-6519	C1	SLES	1	35.1411	18.3871	44.8173	CTL2	6518	6520	6521	6522	-0.18	
-6520	H11	SLES	1	34.2347	18.7074	45.3623	HAL2	6519	0	0	0	0.09	
-6521	H12	SLES	1	35.8218	17.8753	45.5286	HAL2	6519	0	0	0	0.09	
-6522	C2	SLES	1	35.8626	19.6501	44.2004	CTL2	6519	6523	6524	6525	-0.18	
-6523	H21	SLES	1	35.9444	19.521	43.098	HAL2	6522	0	0	0	0.09	
-6524	H22	SLES	1	36.8924	19.7163	44.6148	HAL2	6522	0	0	0	0.09	
-6525	C3	SLES	1	35.0811	21.018	44.5114	CTL2	6522	6526	6527	6528	-0.18	
-6526	H31	SLES	1	34.5405	21.3417	43.5941	HAL2	6525	0	0	0	0.09	
-6527	H32	SLES	1	34.3273	20.8317	45.3021	HAL2	6525	0	0	0	0.09	
-6528	C4	SLES	1	36.0417	22.1876	44.9817	CTL2	6525	6529	6530	6531	-0.18	
-6529	H41	SLES	1	36.2093	22.8797	44.1302	HAL2	6528	0	0	0	0.09	
-6530	H42	SLES	1	37.0246	21.758	45.2723	HAL2	6528	0	0	0	0.09	
-6531	C5	SLES	1	35.4507	23.0099	46.2144	CTL2	6528	6532	6533	6534	-0.18	
-6532	H51	SLES	1	34.3577	22.8172	46.2887	HAL2	6531	0	0	0	0.09	
-6533	H52	SLES	1	35.9268	22.647	47.1539	HAL2	6531	0	0	0	0.09	
-6534	C6	SLES	1	35.6872	24.562	46.0867	CTL2	6531	6535	6536	6537	-0.18	
-6535	H61	SLES	1	35.0186	24.9668	45.2941	HAL2	6534	0	0	0	0.09	
-6536	H62	SLES	1	35.4116	25.0506	47.0504	HAL2	6534	0	0	0	0.09	
-6537	C7	SLES	1	37.1661	24.9225	45.7387	CTL2	6534	6538	6539	6540	-0.18	
-6538	H71	SLES	1	37.3214	24.7997	44.6439	HAL2	6537	0	0	0	0.09	
-6539	H72	SLES	1	37.8463	24.2152	46.2635	HAL2	6537	0	0	0	0.09	
-6540	C8	SLES	1	37.5373	26.3717	46.1402	CTL2	6537	6541	6542	6543	-0.18	
-6541	H81	SLES	1	36.7293	27.0612	45.8038	HAL2	6540	0	0	0	0.09	
-6542	H82	SLES	1	37.6047	26.4359	47.2501	HAL2	6540	0	0	0	0.09	
-6543	C9	SLES	1	38.883	26.8302	45.524	CTL2	6540	6544	6545	6546	-0.18	
-6544	H91	SLES	1	38.825	26.7376	44.4157	HAL2	6543	0	0	0	0.09	
-6545	H92	SLES	1	39.6942	26.1576	45.8829	HAL2	6543	0	0	0	0.09	
-6546	C10	SLES	1	39.2392	28.2905	45.89	CTL2	6543	6547	6548	6549	-0.18	
-6547	H10	SLES	1	38.439	28.9661	45.5104	HAL2	6546	0	0	0	0.09	
-6548	H10	SLES	1	39.2755	28.3891	46.9985	HAL2	6546	0	0	0	0.09	
-6549	C11	SLES	1	40.602	28.7362	45.2966	CTL2	6546	6550	6551	6552	-0.18	
-6550	H11	SLES	1	40.5583	28.6423	44.1874	HAL2	6549	0	0	0	0.09	
-6551	H11	SLES	1	41.3961	28.0469	45.6646	HAL2	6549	0	0	0	0.09	
-6552	C12	SLES	1	40.9958	30.1914	45.6597	CTL3	6549	6553	6554	6555	-0.27	
-6553	H12	SLES	1	41.1262	30.7983	44.7367	HAL3	6552	0	0	0	0.09	
-6554	H12	SLES	1	41.9514	30.2026	46.2291	HAL3	6552	0	0	0	0.09	
-6555	H12	SLES	1	40.2057	30.6619	46.2846	HAL3	6552	0	0	0	0.09	
-6556	NA	SLES	1	42.3787	5.83051	41.2665	NA	0	0	0	0	1	
-6557	S	SLES	1	40.3197	7.15	43.9812	SL	6558	6559	6560	6561	1.33	
-6558	OS1	SLES	1	41.4705	8.03821	43.1482	OSL	6557	6562	0	0	-0.28	
-6559	OS2	SLES	1	39.3794	6.66857	42.9904	O2L	6557	0	0	0	-0.65	
-6560	OS3	SLES	1	41.0247	6.03302	44.5745	O2L	6557	0	0	0	-0.65	
-6561	OS4	SLES	1	39.6146	7.89402	45.0127	O2L	6557	0	0	0	-0.65	
-6562	C2	SLES	1	41.3817	9.47781	43.5224	CC32A	6558	6563	6564	6565	-0.11	
-6563	H2A	SLES	1	40.34	9.86887	43.352	HCA2	6562	0	0	0	0.09	
-6564	H2B	SLES	1	41.6352	9.57941	44.614	HCA2	6562	0	0	0	0.09	
-6565	C1	SLES	1	42.4247	10.3188	42.6442	CC32A	6562	6566	6567	6568	-0.01	
-6566	H1B	SLES	1	42.2306	10.1494	41.5601	HCA2	6565	0	0	0	0.09	
-6567	H1A	SLES	1	43.4655	9.99469	42.878	HCA2	6565	0	0	0	0.09	
-6568	O1	SLES	1	42.4668	11.7901	42.7507	OC30A	6565	6569	0	0	-0.34	
-6569	C2	SLES	1	41.854	12.3704	43.9214	CC32A	6568	6570	6571	6572	-0.01	
-6570	H2A	SLES	1	40.8036	12.0354	43.8154	HCA2	6569	0	0	0	0.09	
-6571	H2B	SLES	1	42.3308	11.7992	44.7495	HCA2	6569	0	0	0	0.09	
-6572	C1	SLES	1	41.8825	13.8958	44.2522	CC32A	6569	6573	6574	6575	-0.01	
-6573	H1B	SLES	1	40.9891	14.3915	43.8138	HCA2	6572	0	0	0	0.09	
-6574	H1A	SLES	1	41.8604	14.0321	45.352	HCA2	6572	0	0	0	0.09	
-6575	O1	SLES	1	42.9313	14.801	43.7794	OC30A	6572	6576	0	0	-0.34	
-6576	C1	SLES	1	43.2124	15.9459	44.665	CTL2	6575	6577	6578	6579	-0.18	
-6577	H11	SLES	1	42.414	15.971	45.4285	HAL2	6576	0	0	0	0.09	
-6578	H12	SLES	1	44.1567	15.6199	45.148	HAL2	6576	0	0	0	0.09	
-6579	C2	SLES	1	43.3981	17.387	44.0446	CTL2	6576	6580	6581	6582	-0.18	
-6580	H21	SLES	1	43.241	17.3332	42.9441	HAL2	6579	0	0	0	0.09	
-6581	H22	SLES	1	44.4414	17.7266	44.2254	HAL2	6579	0	0	0	0.09	
-6582	C3	SLES	1	42.3795	18.4608	44.6676	CTL2	6579	6583	6584	6585	-0.18	
-6583	H31	SLES	1	41.5661	18.6553	43.9335	HAL2	6582	0	0	0	0.09	
-6584	H32	SLES	1	41.9184	18.034	45.5806	HAL2	6582	0	0	0	0.09	
-6585	C4	SLES	1	43.0772	19.8348	45.0378	CTL2	6582	6586	6587	6588	-0.18	
-6586	H41	SLES	1	42.8418	20.5813	44.2507	HAL2	6585	0	0	0	0.09	
-6587	H42	SLES	1	44.1791	19.6916	45.0552	HAL2	6585	0	0	0	0.09	
-6588	C5	SLES	1	42.6059	20.4016	46.4526	CTL2	6585	6589	6590	6591	-0.18	
-6589	H51	SLES	1	41.6562	19.9022	46.7457	HAL2	6588	0	0	0	0.09	
-6590	H52	SLES	1	43.3751	20.1502	47.2183	HAL2	6588	0	0	0	0.09	
-6591	C6	SLES	1	42.3809	21.9606	46.4452	CTL2	6588	6592	6593	6594	-0.18	
-6592	H61	SLES	1	41.4568	22.191	45.869	HAL2	6591	0	0	0	0.09	
-6593	H62	SLES	1	42.2276	22.3093	47.4932	HAL2	6591	0	0	0	0.09	
-6594	C7	SLES	1	43.5792	22.7423	45.8198	CTL2	6591	6595	6596	6597	-0.18	
-6595	H71	SLES	1	43.4909	22.7153	44.711	HAL2	6594	0	0	0	0.09	
-6596	H72	SLES	1	44.5299	22.2369	46.1009	HAL2	6594	0	0	0	0.09	
-6597	C8	SLES	1	43.6359	24.219	46.2841	CTL2	6594	6598	6599	6600	-0.18	
-6598	H81	SLES	1	42.6165	24.6629	46.2119	HAL2	6597	0	0	0	0.09	
-6599	H82	SLES	1	43.9512	24.2528	47.3518	HAL2	6597	0	0	0	0.09	
-6600	C9	SLES	1	44.6186	25.0678	45.4389	CTL2	6597	6601	6602	6603	-0.18	
-6601	H91	SLES	1	44.32	25.0094	44.3676	HAL2	6600	0	0	0	0.09	
-6602	H92	SLES	1	45.642	24.64	45.534	HAL2	6600	0	0	0	0.09	
-6603	C10	SLES	1	44.6497	26.5523	45.8734	CTL2	6600	6604	6605	6606	-0.18	
-6604	H10	SLES	1	43.6308	26.987	45.7561	HAL2	6603	0	0	0	0.09	
-6605	H10	SLES	1	44.9266	26.6102	46.9504	HAL2	6603	0	0	0	0.09	
-6606	C11	SLES	1	45.6574	27.3928	45.0451	CTL2	6603	6607	6608	6609	-0.18	
-6607	H11	SLES	1	45.3722	27.3372	43.9696	HAL2	6606	0	0	0	0.09	
-6608	H11	SLES	1	46.6714	26.9437	45.151	HAL2	6606	0	0	0	0.09	
-6609	C12	SLES	1	45.7242	28.8832	45.4679	CTL3	6606	6610	6611	6612	-0.27	
-6610	H12	SLES	1	45.4594	29.5405	44.6105	HAL3	6609	0	0	0	0.09	
-6611	H12	SLES	1	46.7507	29.1424	45.8094	HAL3	6609	0	0	0	0.09	
-6612	H12	SLES	1	45.0135	29.0819	46.2995	HAL3	6609	0	0	0	0.09	
-6613	NA	SLES	1	52.7565	5.5897	40.903	NA	0	0	0	0	1	
-6614	S	SLES	1	51.1476	6.3373	44.0972	SL	6615	6616	6617	6618	1.33	
-6615	OS1	SLES	1	51.7692	7.49406	43.0566	OSL	6614	6619	0	0	-0.28	
-6616	OS2	SLES	1	50.162	5.59413	43.3398	O2L	6614	0	0	0	-0.65	
-6617	OS3	SLES	1	52.2552	5.47227	44.4458	O2L	6614	0	0	0	-0.65	
-6618	OS4	SLES	1	50.5417	6.87591	45.3044	O2L	6614	0	0	0	-0.65	
-6619	C2	SLES	1	51.3839	8.8592	43.513	CC32A	6615	6620	6621	6622	-0.11	
-6620	H2A	SLES	1	50.2663	8.94174	43.619	HCA2	6619	0	0	0	0.09	
-6621	H2B	SLES	1	51.86	9.0486	44.5147	HCA2	6619	0	0	0	0.09	
-6622	C1	SLES	1	51.9071	9.93974	42.4523	CC32A	6619	6623	6624	6625	-0.01	
-6623	H1B	SLES	1	51.5066	9.70195	41.4401	HCA2	6622	0	0	0	0.09	
-6624	H1A	SLES	1	53.0212	9.92251	42.4113	HCA2	6622	0	0	0	0.09	
-6625	O1	SLES	1	51.569	11.3665	42.6192	OC30A	6622	6626	0	0	-0.34	
-6626	C2	SLES	1	51.1279	11.7762	43.9308	CC32A	6625	6627	6628	6629	-0.01	
-6627	H2A	SLES	1	50.2171	11.1603	44.0648	HCA2	6626	0	0	0	0.09	
-6628	H2B	SLES	1	51.9314	11.3765	44.5896	HCA2	6626	0	0	0	0.09	
-6629	C1	SLES	1	50.8174	13.2556	44.3211	CC32A	6626	6630	6631	6632	-0.01	
-6630	H1B	SLES	1	49.7431	13.4746	44.1368	HCA2	6629	0	0	0	0.09	
-6631	H1A	SLES	1	51.0298	13.4018	45.3991	HCA2	6629	0	0	0	0.09	
-6632	O1	SLES	1	51.428	14.4073	43.6551	OC30A	6629	6633	0	0	-0.34	
-6633	C1	SLES	1	51.5931	15.6023	44.5029	CTL2	6632	6634	6635	6636	-0.18	
-6634	H11	SLES	1	51.0317	15.4193	45.4369	HAL2	6633	0	0	0	0.09	
-6635	H12	SLES	1	52.6792	15.5613	44.7267	HAL2	6633	0	0	0	0.09	
-6636	C2	SLES	1	51.2181	17.0258	43.9292	CTL2	6633	6637	6638	6639	-0.18	
-6637	H21	SLES	1	50.8162	16.909	42.8979	HAL2	6636	0	0	0	0.09	
-6638	H22	SLES	1	52.1394	17.6456	43.8696	HAL2	6636	0	0	0	0.09	
-6639	C3	SLES	1	50.1297	17.7859	44.8328	CTL2	6636	6640	6641	6642	-0.18	
-6640	H31	SLES	1	49.1397	17.7321	44.3275	HAL2	6639	0	0	0	0.09	
-6641	H32	SLES	1	50.0425	17.2657	45.8075	HAL2	6639	0	0	0	0.09	
-6642	C4	SLES	1	50.4927	19.3068	45.0921	CTL2	6639	6643	6644	6645	-0.18	
-6643	H41	SLES	1	49.8756	19.9428	44.4236	HAL2	6642	0	0	0	0.09	
-6644	H42	SLES	1	51.5606	19.476	44.8357	HAL2	6642	0	0	0	0.09	
-6645	C5	SLES	1	50.2469	19.7476	46.6055	CTL2	6642	6646	6647	6648	-0.18	
-6646	H51	SLES	1	49.5728	19.0096	47.0937	HAL2	6645	0	0	0	0.09	
-6647	H52	SLES	1	51.2191	19.7351	47.1492	HAL2	6645	0	0	0	0.09	
-6648	C6	SLES	1	49.6083	21.1821	46.7308	CTL2	6645	6649	6650	6651	-0.18	
-6649	H61	SLES	1	48.5443	21.1351	46.4072	HAL2	6648	0	0	0	0.09	
-6650	H62	SLES	1	49.6278	21.4948	47.801	HAL2	6648	0	0	0	0.09	
-6651	C7	SLES	1	50.3543	22.2539	45.8746	CTL2	6648	6652	6653	6654	-0.18	
-6652	H71	SLES	1	50.007	22.1817	44.8201	HAL2	6651	0	0	0	0.09	
-6653	H72	SLES	1	51.4459	22.0384	45.8922	HAL2	6651	0	0	0	0.09	
-6654	C8	SLES	1	50.1162	23.6968	46.3851	CTL2	6651	6655	6656	6657	-0.18	
-6655	H81	SLES	1	49.029	23.8382	46.5835	HAL2	6654	0	0	0	0.09	
-6656	H82	SLES	1	50.6626	23.8379	47.3454	HAL2	6654	0	0	0	0.09	
-6657	C9	SLES	1	50.5893	24.7688	45.3714	CTL2	6654	6658	6659	6660	-0.18	
-6658	H91	SLES	1	50.0643	24.6087	44.4022	HAL2	6657	0	0	0	0.09	
-6659	H92	SLES	1	51.6815	24.6444	45.195	HAL2	6657	0	0	0	0.09	
-6660	C10	SLES	1	50.318	26.2115	45.8594	CTL2	6657	6661	6662	6663	-0.18	
-6661	H10	SLES	1	49.2227	26.3433	46.0136	HAL2	6660	0	0	0	0.09	
-6662	H10	SLES	1	50.8243	26.3652	46.8392	HAL2	6660	0	0	0	0.09	
-6663	C11	SLES	1	50.8207	27.2828	44.8556	CTL2	6660	6664	6665	6666	-0.18	
-6664	H11	SLES	1	50.3065	27.1291	43.8794	HAL2	6663	0	0	0	0.09	
-6665	H11	SLES	1	51.9126	27.1356	44.6909	HAL2	6663	0	0	0	0.09	
-6666	C12	SLES	1	50.5781	28.7409	45.3241	CTL3	6663	6667	6668	6669	-0.27	
-6667	H12	SLES	1	49.9409	29.2817	44.5901	HAL3	6666	0	0	0	0.09	
-6668	H12	SLES	1	51.5453	29.282	45.4201	HAL3	6666	0	0	0	0.09	
-6669	H12	SLES	1	50.0673	28.7504	46.3115	HAL3	6666	0	0	0	0.09	
-6670	NA	SLES	1	62.8158	7.76492	40.6804	NA	0	0	0	0	1	
-6671	S	SLES	1	61.8527	8.30273	44.1638	SL	6672	6673	6674	6675	1.33	
-6672	OS1	SLES	1	61.8625	9.49732	42.989	OSL	6671	6676	0	0	-0.28	
-6673	OS2	SLES	1	60.9682	7.2625	43.6811	O2L	6671	0	0	0	-0.65	
-6674	OS3	SLES	1	63.2086	7.80031	44.2387	O2L	6671	0	0	0	-0.65	
-6675	OS4	SLES	1	61.4185	8.75221	45.4768	O2L	6671	0	0	0	-0.65	
-6676	C2	SLES	1	61.2255	10.7393	43.5106	CC32A	6672	6677	6678	6679	-0.11	
-6677	H2A	SLES	1	60.1869	10.5247	43.8877	HCA2	6676	0	0	0	0.09	
-6678	H2B	SLES	1	61.8489	11.13	44.362	HCA2	6676	0	0	0	0.09	
-6679	C1	SLES	1	61.1605	11.8326	42.3414	CC32A	6676	6680	6681	6682	-0.01	
-6680	H1B	SLES	1	60.6187	11.4151	41.4618	HCA2	6679	0	0	0	0.09	
-6681	H1A	SLES	1	62.1927	12.1141	42.0275	HCA2	6679	0	0	0	0.09	
-6682	O1	SLES	1	60.4827	13.1234	42.5702	OC30A	6679	6683	0	0	-0.34	
-6683	C2	SLES	1	60.2626	13.5021	43.9452	CC32A	6682	6684	6685	6686	-0.01	
-6684	H2A	SLES	1	59.6198	12.6757	44.3065	HCA2	6683	0	0	0	0.09	
-6685	H2B	SLES	1	61.2767	13.3887	44.3903	HCA2	6683	0	0	0	0.09	
-6686	C1	SLES	1	59.6477	14.8687	44.383	CC32A	6683	6687	6688	6689	-0.01	
-6687	H1B	SLES	1	58.5432	14.7735	44.4666	HCA2	6686	0	0	0	0.09	
-6688	H1A	SLES	1	60.0556	15.1528	45.3738	HCA2	6686	0	0	0	0.09	
-6689	O1	SLES	1	59.7361	16.0855	43.5741	OC30A	6686	6690	0	0	-0.34	
-6690	C1	SLES	1	59.7507	17.3444	44.3414	CTL2	6689	6691	6692	6693	-0.18	
-6691	H11	SLES	1	59.4976	17.0918	45.3869	HAL2	6690	0	0	0	0.09	
-6692	H12	SLES	1	60.8252	17.6168	44.2912	HAL2	6690	0	0	0	0.09	
-6693	C2	SLES	1	58.8666	18.5628	43.8615	CTL2	6690	6694	6695	6696	-0.18	
-6694	H21	SLES	1	58.285	18.2595	42.9624	HAL2	6693	0	0	0	0.09	
-6695	H22	SLES	1	59.5355	19.4019	43.5697	HAL2	6693	0	0	0	0.09	
-6696	C3	SLES	1	57.8503	19.07	44.9966	CTL2	6693	6697	6698	6699	-0.18	
-6697	H31	SLES	1	56.8262	18.7102	44.7514	HAL2	6696	0	0	0	0.09	
-6698	H32	SLES	1	58.143	18.6253	45.9686	HAL2	6696	0	0	0	0.09	
-6699	C4	SLES	1	57.8198	20.648	45.1411	CTL2	6696	6700	6701	6702	-0.18	
-6700	H41	SLES	1	56.9104	21.0378	44.638	HAL2	6699	0	0	0	0.09	
-6701	H42	SLES	1	58.7063	21.0787	44.6276	HAL2	6699	0	0	0	0.09	
-6702	C5	SLES	1	57.8198	21.1257	46.6633	CTL2	6699	6703	6704	6705	-0.18	
-6703	H51	SLES	1	57.5144	20.2744	47.3109	HAL2	6702	0	0	0	0.09	
-6704	H52	SLES	1	58.855	21.4202	46.9508	HAL2	6702	0	0	0	0.09	
-6705	C6	SLES	1	56.8505	22.3393	46.9256	CTL2	6702	6706	6707	6708	-0.18	
-6706	H61	SLES	1	55.798	21.9805	46.8746	HAL2	6705	0	0	0	0.09	
-6707	H62	SLES	1	57.0301	22.7302	47.9544	HAL2	6705	0	0	0	0.09	
-6708	C7	SLES	1	57.043	23.5007	45.8999	CTL2	6705	6709	6710	6711	-0.18	
-6709	H71	SLES	1	56.4942	23.2531	44.9643	HAL2	6708	0	0	0	0.09	
-6710	H72	SLES	1	58.1238	23.5906	45.6505	HAL2	6708	0	0	0	0.09	
-6711	C8	SLES	1	56.5338	24.8615	46.4368	CTL2	6708	6712	6713	6714	-0.18	
-6712	H81	SLES	1	55.5284	24.719	46.8953	HAL2	6711	0	0	0	0.09	
-6713	H82	SLES	1	57.2265	25.2215	47.2312	HAL2	6711	0	0	0	0.09	
-6714	C9	SLES	1	56.4355	25.9367	45.3256	CTL2	6711	6715	6716	6717	-0.18	
-6715	H91	SLES	1	55.766	25.5636	44.5175	HAL2	6714	0	0	0	0.09	
-6716	H92	SLES	1	57.4459	26.0987	44.887	HAL2	6714	0	0	0	0.09	
-6717	C10	SLES	1	55.8902	27.2866	45.8489	CTL2	6714	6718	6719	6720	-0.18	
-6718	H10	SLES	1	54.8696	27.1291	46.2666	HAL2	6717	0	0	0	0.09	
-6719	H10	SLES	1	56.5466	27.6494	46.672	HAL2	6717	0	0	0	0.09	
-6720	C11	SLES	1	55.822	28.37	44.74	CTL2	6717	6721	6722	6723	-0.18	
-6721	H11	SLES	1	55.1591	28.0053	43.9223	HAL2	6720	0	0	0	0.09	
-6722	H11	SLES	1	56.8413	28.5109	44.3131	HAL2	6720	0	0	0	0.09	
-6723	C12	SLES	1	55.2945	29.7407	45.2371	CTL3	6720	6724	6725	6726	-0.27	
-6724	H12	SLES	1	54.3779	30.0285	44.6765	HAL3	6723	0	0	0	0.09	
-6725	H12	SLES	1	56.0646	30.5292	45.0858	HAL3	6723	0	0	0	0.09	
-6726	H12	SLES	1	55.0468	29.6907	46.3198	HAL3	6723	0	0	0	0.09	
-6727	NA	SLES	1	72.0551	12.1971	40.6128	NA	0	0	0	0	1	
-6728	S	SLES	1	71.7171	12.9283	44.1768	SL	6729	6730	6731	6732	1.33	
-6729	OS1	SLES	1	71.1402	13.9124	42.9496	OSL	6728	6733	0	0	-0.28	
-6730	OS2	SLES	1	71.0901	11.6359	43.9928	O2L	6728	0	0	0	-0.65	
-6731	OS3	SLES	1	73.1454	12.8171	43.966	O2L	6728	0	0	0	-0.65	
-6732	OS4	SLES	1	71.4521	13.4208	45.5191	O2L	6728	0	0	0	-0.65	
-6733	C2	SLES	1	70.2942	15.0007	43.5154	CC32A	6729	6734	6735	6736	-0.11	
-6734	H2A	SLES	1	69.4623	14.5725	44.1412	HCA2	6733	0	0	0	0.09	
-6735	H2B	SLES	1	70.94	15.6539	44.1652	HCA2	6733	0	0	0	0.09	
-6736	C1	SLES	1	69.6776	15.869	42.3186	CC32A	6733	6737	6738	6739	-0.01	
-6737	H1B	SLES	1	69.11	15.2079	41.6241	HCA2	6736	0	0	0	0.09	
-6738	H1A	SLES	1	70.4971	16.368	41.7506	HCA2	6736	0	0	0	0.09	
-6739	O1	SLES	1	68.7191	16.9534	42.6067	OC30A	6736	6740	0	0	-0.34	
-6740	C2	SLES	1	68.6874	17.4433	43.9638	CC32A	6739	6741	6742	6743	-0.01	
-6741	H2A	SLES	1	68.3987	16.5332	44.5253	HCA2	6740	0	0	0	0.09	
-6742	H2B	SLES	1	69.7601	17.6633	44.1642	HCA2	6740	0	0	0	0.09	
-6743	C1	SLES	1	67.8089	18.6451	44.4342	CC32A	6740	6744	6745	6746	-0.01	
-6744	H1B	SLES	1	66.8206	18.2736	44.7824	HCA2	6743	0	0	0	0.09	
-6745	H1A	SLES	1	68.3126	19.1584	45.2777	HCA2	6743	0	0	0	0.09	
-6746	O1	SLES	1	67.3744	19.7206	43.5414	OC30A	6743	6747	0	0	-0.34	
-6747	C1	SLES	1	67.1835	21.0307	44.1905	CTL2	6746	6748	6749	6750	-0.18	
-6748	H11	SLES	1	67.2349	20.8643	45.2817	HAL2	6747	0	0	0	0.09	
-6749	H12	SLES	1	68.0995	21.5679	43.8688	HAL2	6747	0	0	0	0.09	
-6750	C2	SLES	1	65.9068	21.8954	43.8458	CTL2	6747	6751	6752	6753	-0.18	
-6751	H21	SLES	1	65.2651	21.3302	43.1335	HAL2	6750	0	0	0	0.09	
-6752	H22	SLES	1	66.2306	22.8338	43.3446	HAL2	6750	0	0	0	0.09	
-6753	C3	SLES	1	65.0441	22.265	45.1487	CTL2	6750	6754	6755	6756	-0.18	
-6754	H31	SLES	1	64.1395	21.6175	45.1786	HAL2	6753	0	0	0	0.09	
-6755	H32	SLES	1	65.6462	22.0495	46.0538	HAL2	6753	0	0	0	0.09	
-6756	C4	SLES	1	64.5909	23.7834	45.1818	CTL2	6753	6757	6758	6759	-0.18	
-6757	H41	SLES	1	63.5244	23.847	44.8804	HAL2	6756	0	0	0	0.09	
-6758	H42	SLES	1	65.19	24.3593	44.444	HAL2	6756	0	0	0	0.09	
-6759	C5	SLES	1	64.7668	24.4458	46.6224	CTL2	6756	6760	6761	6762	-0.18	
-6760	H51	SLES	1	64.8598	23.64	47.3836	HAL2	6759	0	0	0	0.09	
-6761	H52	SLES	1	65.7093	25.0395	46.6357	HAL2	6759	0	0	0	0.09	
-6762	C6	SLES	1	63.5648	25.384	47.0174	CTL2	6759	6763	6764	6765	-0.18	
-6763	H61	SLES	1	62.6733	24.7564	47.2421	HAL2	6762	0	0	0	0.09	
-6764	H62	SLES	1	63.8321	25.9442	47.9439	HAL2	6762	0	0	0	0.09	
-6765	C7	SLES	1	63.1989	26.4049	45.894	CTL2	6762	6766	6767	6768	-0.18	
-6766	H71	SLES	1	62.5643	25.8966	45.1346	HAL2	6765	0	0	0	0.09	
-6767	H72	SLES	1	64.1324	26.7426	45.391	HAL2	6765	0	0	0	0.09	
-6768	C8	SLES	1	62.4413	27.6425	46.4359	CTL2	6765	6769	6770	6771	-0.18	
-6769	H81	SLES	1	61.6366	27.3029	47.1276	HAL2	6768	0	0	0	0.09	
-6770	H82	SLES	1	63.1491	28.277	47.0165	HAL2	6768	0	0	0	0.09	
-6771	C9	SLES	1	61.8108	28.4926	45.3044	CTL2	6768	6772	6773	6774	-0.18	
-6772	H91	SLES	1	61.1257	27.8498	44.7061	HAL2	6771	0	0	0	0.09	
-6773	H92	SLES	1	62.6187	28.8548	44.6295	HAL2	6771	0	0	0	0.09	
-6774	C10	SLES	1	61.0198	29.7084	45.8425	CTL2	6771	6775	6776	6777	-0.18	
-6775	H10	SLES	1	60.1968	29.345	46.4993	HAL2	6774	0	0	0	0.09	
-6776	H10	SLES	1	61.6987	30.3399	46.4592	HAL2	6774	0	0	0	0.09	
-6777	C11	SLES	1	60.4156	30.5745	44.7056	CTL2	6774	6778	6779	6780	-0.18	
-6778	H11	SLES	1	59.7321	29.9403	44.0958	HAL2	6777	0	0	0	0.09	
-6779	H11	SLES	1	61.2402	30.9206	44.0414	HAL2	6777	0	0	0	0.09	
-6780	C12	SLES	1	59.6298	31.8115	45.2125	CTL3	6777	6781	6782	6783	-0.27	
-6781	H12	SLES	1	58.5741	31.768	44.8646	HAL3	6780	0	0	0	0.09	
-6782	H12	SLES	1	60.0916	32.7473	44.8273	HAL3	6780	0	0	0	0.09	
-6783	H12	SLES	1	59.6355	31.845	46.3238	HAL3	6780	0	0	0	0.09	
-6784	NA	SLES	1	80.0195	18.6512	40.7045	NA	0	0	0	0	1	
-6785	S	SLES	1	80.079	19.9066	44.1354	SL	6786	6787	6788	6789	1.33	
-6786	OS1	SLES	1	79.0452	20.4649	42.9408	OSL	6785	6790	0	0	-0.28	
-6787	OS2	SLES	1	79.8343	18.4842	44.2553	O2L	6785	0	0	0	-0.65	
-6788	OS3	SLES	1	81.4221	20.1354	43.645	O2L	6785	0	0	0	-0.65	
-6789	OS4	SLES	1	79.9084	20.5493	45.4286	O2L	6785	0	0	0	-0.65	
-6790	C2	SLES	1	78.025	21.379	43.5271	CC32A	6786	6791	6792	6793	-0.11	
-6791	H2A	SLES	1	77.4698	20.8702	44.3637	HCA2	6790	0	0	0	0.09	
-6792	H2B	SLES	1	78.5509	22.2854	43.9369	HCA2	6790	0	0	0	0.09	
-6793	C1	SLES	1	76.9927	21.8228	42.3852	CC32A	6790	6794	6795	6796	-0.01	
-6794	H1B	SLES	1	76.5353	20.9212	41.9166	HCA2	6793	0	0	0	0.09	
-6795	H1A	SLES	1	77.5252	22.406	41.5982	HCA2	6793	0	0	0	0.09	
-6796	O1	SLES	1	75.8214	22.6531	42.7265	OC30A	6793	6797	0	0	-0.34	
-6797	C2	SLES	1	75.8739	23.3569	43.9853	CC32A	6796	6798	6799	6800	-0.01	
-6798	H2A	SLES	1	75.9602	22.5214	44.7073	HCA2	6797	0	0	0	0.09	
-6799	H2B	SLES	1	76.8537	23.882	43.9256	HCA2	6797	0	0	0	0.09	
-6800	C1	SLES	1	74.7741	24.3527	44.4713	CC32A	6797	6801	6802	6803	-0.01	
-6801	H1B	SLES	1	74.009	23.8062	45.0645	HCA2	6800	0	0	0	0.09	
-6802	H1A	SLES	1	75.239	25.1247	45.1168	HCA2	6800	0	0	0	0.09	
-6803	O1	SLES	1	73.9033	25.0959	43.5591	OC30A	6800	6804	0	0	-0.34	
-6804	C1	SLES	1	73.4495	26.4064	44.0598	CTL2	6803	6805	6806	6807	-0.18	
-6805	H11	SLES	1	73.7274	26.4612	45.1278	HAL2	6804	0	0	0	0.09	
-6806	H12	SLES	1	74.1027	27.0959	43.4862	HAL2	6804	0	0	0	0.09	
-6807	C2	SLES	1	71.9376	26.83	43.8829	CTL2	6804	6808	6809	6810	-0.18	
-6808	H21	SLES	1	71.3796	25.9966	43.4004	HAL2	6807	0	0	0	0.09	
-6809	H22	SLES	1	71.8861	27.7125	43.2084	HAL2	6807	0	0	0	0.09	
-6810	C3	SLES	1	71.2332	27.1929	45.2796	CTL2	6807	6811	6812	6813	-0.18	
-6811	H31	SLES	1	70.5745	26.3485	45.5821	HAL2	6810	0	0	0	0.09	
-6812	H32	SLES	1	72.0133	27.311	46.0578	HAL2	6810	0	0	0	0.09	
-6813	C4	SLES	1	70.3693	28.52	45.2116	CTL2	6810	6814	6815	6816	-0.18	
-6814	H41	SLES	1	69.2961	28.247	45.1357	HAL2	6813	0	0	0	0.09	
-6815	H42	SLES	1	70.6437	29.0876	44.2965	HAL2	6813	0	0	0	0.09	
-6816	C5	SLES	1	70.581	29.4568	46.4854	CTL2	6813	6817	6818	6819	-0.18	
-6817	H51	SLES	1	71.0296	28.8561	47.3073	HAL2	6816	0	0	0	0.09	
-6818	H52	SLES	1	71.2982	30.268	46.2237	HAL2	6816	0	0	0	0.09	
-6819	C6	SLES	1	69.2407	30.1045	47.0004	CTL2	6816	6820	6821	6822	-0.18	
-6820	H61	SLES	1	68.6209	29.3179	47.4864	HAL2	6819	0	0	0	0.09	
-6821	H62	SLES	1	69.4829	30.8744	47.7699	HAL2	6819	0	0	0	0.09	
-6822	C7	SLES	1	68.4123	30.7717	45.8573	CTL2	6819	6823	6824	6825	-0.18	
-6823	H71	SLES	1	67.8366	29.9856	45.3202	HAL2	6822	0	0	0	0.09	
-6824	H72	SLES	1	69.11	31.2436	45.13	HAL2	6822	0	0	0	0.09	
-6825	C8	SLES	1	67.4278	31.8461	46.3825	CTL2	6822	6826	6827	6828	-0.18	
-6826	H81	SLES	1	66.8833	31.4404	47.2658	HAL2	6825	0	0	0	0.09	
-6827	H82	SLES	1	68.0061	32.7382	46.7147	HAL2	6825	0	0	0	0.09	
-6828	C9	SLES	1	66.3985	32.2808	45.3092	CTL2	6825	6829	6830	6831	-0.18	
-6829	H91	SLES	1	65.8411	31.3835	44.9562	HAL2	6828	0	0	0	0.09	
-6830	H92	SLES	1	66.9423	32.7118	44.4386	HAL2	6828	0	0	0	0.09	
-6831	C10	SLES	1	65.3883	33.3251	45.8406	CTL2	6828	6832	6833	6834	-0.18	
-6832	H10	SLES	1	64.8277	32.8856	46.697	HAL2	6831	0	0	0	0.09	
-6833	H10	SLES	1	65.9462	34.2134	46.2142	HAL2	6831	0	0	0	0.09	
-6834	C11	SLES	1	64.3782	33.7809	44.7545	CTL2	6831	6835	6836	6837	-0.18	
-6835	H11	SLES	1	63.818	32.89	44.3889	HAL2	6834	0	0	0	0.09	
-6836	H11	SLES	1	64.9442	34.2029	43.8928	HAL2	6834	0	0	0	0.09	
-6837	C12	SLES	1	63.3616	34.8409	45.2519	CTL3	6834	6838	6839	6840	-0.27	
-6838	H12	SLES	1	62.322	34.4607	45.1424	HAL3	6837	0	0	0	0.09	
-6839	H12	SLES	1	63.4602	35.7782	44.661	HAL3	6837	0	0	0	0.09	
-6840	H12	SLES	1	63.5415	35.077	46.3233	HAL3	6837	0	0	0	0.09	
-6841	NA	SLES	1	86.2973	26.8201	40.9496	NA	0	0	0	0	1	
-6842	S	SLES	1	86.384	28.7641	44.0422	SL	6843	6844	6845	6846	1.33	
-6843	OS1	SLES	1	85.1021	28.7582	42.9633	OSL	6842	6847	0	0	-0.28	
-6844	OS2	SLES	1	86.5791	27.3888	44.4521	O2L	6842	0	0	0	-0.65	
-6845	OS3	SLES	1	87.5366	29.2235	43.2958	O2L	6842	0	0	0	-0.65	
-6846	OS4	SLES	1	86.1841	29.6057	45.2111	O2L	6842	0	0	0	-0.65	
-6847	C2	SLES	1	83.9347	29.4788	43.5449	CC32A	6843	6848	6849	6850	-0.11	
-6848	H2A	SLES	1	83.6518	29.0376	44.5411	HCA2	6847	0	0	0	0.09	
-6849	H2B	SLES	1	84.2179	30.5579	43.6914	HCA2	6847	0	0	0	0.09	
-6850	C1	SLES	1	82.6936	29.3772	42.537	CC32A	6847	6851	6852	6853	-0.01	
-6851	H1B	SLES	1	82.4674	28.3077	42.321	HCA2	6850	0	0	0	0.09	
-6852	H1A	SLES	1	82.9391	29.8932	41.5797	HCA2	6850	0	0	0	0.09	
-6853	O1	SLES	1	81.379	29.9261	42.9221	OC30A	6850	6854	0	0	-0.34	
-6854	C2	SLES	1	81.3692	30.876	44.0084	CC32A	6853	6855	6856	6857	-0.01	
-6855	H2A	SLES	1	81.7773	30.2704	44.8411	HCA2	6854	0	0	0	0.09	
-6856	H2B	SLES	1	82.1402	31.613	43.6894	HCA2	6854	0	0	0	0.09	
-6857	C1	SLES	1	80.091	31.6307	44.4921	CC32A	6854	6858	6859	6860	-0.01	
-6858	H1B	SLES	1	79.5915	31.0461	45.2951	HCA2	6857	0	0	0	0.09	
-6859	H1A	SLES	1	80.3824	32.6189	44.9012	HCA2	6857	0	0	0	0.09	
-6860	O1	SLES	1	78.9427	31.9029	43.6261	OC30A	6857	6861	0	0	-0.34	
-6861	C1	SLES	1	78.1881	33.1256	43.9574	CTL2	6860	6862	6863	6864	-0.18	
-6862	H11	SLES	1	78.5592	33.4827	44.935	HAL2	6861	0	0	0	0.09	
-6863	H12	SLES	1	78.5419	33.8198	43.1673	HAL2	6861	0	0	0	0.09	
-6864	C2	SLES	1	76.6086	33.0901	43.9707	CTL2	6861	6865	6866	6867	-0.18	
-6865	H21	SLES	1	76.2653	32.0554	43.7463	HAL2	6864	0	0	0	0.09	
-6866	H22	SLES	1	76.2253	33.7593	43.1696	HAL2	6864	0	0	0	0.09	
-6867	C3	SLES	1	75.9949	33.5517	45.381	CTL2	6864	6868	6869	6870	-0.18	
-6868	H31	SLES	1	75.6497	32.6514	45.9367	HAL2	6867	0	0	0	0.09	
-6869	H32	SLES	1	76.7912	34.0363	45.9803	HAL2	6867	0	0	0	0.09	
-6870	C4	SLES	1	74.7805	34.5587	45.2286	CTL2	6867	6871	6872	6873	-0.18	
-6871	H41	SLES	1	73.8318	34.0049	45.3877	HAL2	6870	0	0	0	0.09	
-6872	H42	SLES	1	74.7706	34.9647	44.1942	HAL2	6870	0	0	0	0.09	
-6873	C5	SLES	1	74.8559	35.7726	46.261	CTL2	6870	6874	6875	6876	-0.18	
-6874	H51	SLES	1	75.5513	35.5044	47.0867	HAL2	6873	0	0	0	0.09	
-6875	H52	SLES	1	75.2711	36.6659	45.7406	HAL2	6873	0	0	0	0.09	
-6876	C6	SLES	1	73.4538	36.1435	46.8756	CTL2	6873	6877	6878	6879	-0.18	
-6877	H61	SLES	1	73.1499	35.3478	47.5923	HAL2	6876	0	0	0	0.09	
-6878	H62	SLES	1	73.5487	37.0985	47.4435	HAL2	6876	0	0	0	0.09	
-6879	C7	SLES	1	72.3413	36.305	45.792	CTL2	6876	6880	6881	6882	-0.18	
-6880	H71	SLES	1	71.9612	35.2983	45.5095	HAL2	6879	0	0	0	0.09	
-6881	H72	SLES	1	72.7829	36.7726	44.8839	HAL2	6879	0	0	0	0.09	
-6882	C8	SLES	1	71.1543	37.1723	46.28	CTL2	6879	6883	6884	6885	-0.18	
-6883	H81	SLES	1	70.8568	36.841	47.3014	HAL2	6882	0	0	0	0.09	
-6884	H82	SLES	1	71.4823	38.2348	46.3447	HAL2	6882	0	0	0	0.09	
-6885	C9	SLES	1	69.9265	37.078	45.3397	CTL2	6882	6886	6887	6888	-0.18	
-6886	H91	SLES	1	69.6174	36.0116	45.2521	HAL2	6885	0	0	0	0.09	
-6887	H92	SLES	1	70.2173	37.4356	44.3263	HAL2	6885	0	0	0	0.09	
-6888	C10	SLES	1	68.7245	37.9115	45.8434	CTL2	6885	6889	6890	6891	-0.18	
-6889	H10	SLES	1	68.4185	37.5385	46.8474	HAL2	6888	0	0	0	0.09	
-6890	H10	SLES	1	69.0391	38.9741	45.9525	HAL2	6888	0	0	0	0.09	
-6891	C11	SLES	1	67.5074	37.8393	44.8837	CTL2	6888	6892	6893	6894	-0.18	
-6892	H11	SLES	1	67.1923	36.7754	44.7833	HAL2	6891	0	0	0	0.09	
-6893	H11	SLES	1	67.8229	38.1962	43.8767	HAL2	6891	0	0	0	0.09	
-6894	C12	SLES	1	66.2908	38.6785	45.3528	CTL3	6891	6895	6896	6897	-0.27	
-6895	H12	SLES	1	65.4013	38.0253	45.4924	HAL3	6894	0	0	0	0.09	
-6896	H12	SLES	1	66.0438	39.4568	44.5973	HAL3	6894	0	0	0	0.09	
-6897	H12	SLES	1	66.5165	39.1811	46.3184	HAL3	6894	0	0	0	0.09	
-6898	NA	SLES	1	90.5246	36.3196	41.3328	NA	0	0	0	0	1	
-6899	S	SLES	1	90.2276	38.8995	43.903	SL	6900	6901	6902	6903	1.33	
-6900	OS1	SLES	1	88.9415	38.2949	43.0156	OSL	6899	6904	0	0	-0.28	
-6901	OS2	SLES	1	90.832	37.7654	44.5709	O2L	6899	0	0	0	-0.65	
-6902	OS3	SLES	1	91.1553	39.4556	42.9404	O2L	6899	0	0	0	-0.65	
-6903	OS4	SLES	1	89.8622	39.9126	44.8801	O2L	6899	0	0	0	-0.65	
-6904	C2	SLES	1	87.6519	38.7972	43.5677	CC32A	6900	6905	6906	6907	-0.11	
-6905	H2A	SLES	1	87.565	38.5489	44.6622	HCA2	6904	0	0	0	0.09	
-6906	H2B	SLES	1	87.6217	39.9152	43.444	HCA2	6904	0	0	0	0.09	
-6907	C1	SLES	1	86.4364	38.1309	42.7646	CC32A	6904	6908	6909	6910	-0.01	
-6908	H1B	SLES	1	86.5143	37.0204	42.8119	HCA2	6907	0	0	0	0.09	
-6909	H1A	SLES	1	86.4682	38.4484	41.6963	HCA2	6907	0	0	0	0.09	
-6910	O1	SLES	1	85.0439	38.3867	43.1811	OC30A	6907	6911	0	0	-0.34	
-6911	C2	SLES	1	84.8245	39.5316	44.0317	CC32A	6910	6912	6913	6914	-0.01	
-6912	H2A	SLES	1	85.4362	39.2742	44.9184	HCA2	6911	0	0	0	0.09	
-6913	H2B	SLES	1	85.3322	40.348	43.4704	HCA2	6911	0	0	0	0.09	
-6914	C1	SLES	1	83.4135	40.0129	44.4953	CC32A	6911	6915	6916	6917	-0.01	
-6915	H1B	SLES	1	83.1496	39.5269	45.4597	HCA2	6914	0	0	0	0.09	
-6916	H1A	SLES	1	83.4323	41.1111	44.6445	HCA2	6914	0	0	0	0.09	
-6917	O1	SLES	1	82.1877	39.7544	43.7382	OC30A	6914	6918	0	0	-0.34	
-6918	C1	SLES	1	81.1345	40.7752	43.8897	CTL2	6917	6919	6920	6921	-0.18	
-6919	H11	SLES	1	81.4431	41.4416	44.7154	HAL2	6918	0	0	0	0.09	
-6920	H12	SLES	1	81.2285	41.3278	42.9322	HAL2	6918	0	0	0	0.09	
-6921	C2	SLES	1	79.635	40.3257	44.1035	CTL2	6918	6922	6923	6924	-0.18	
-6922	H21	SLES	1	79.5905	39.2145	44.1496	HAL2	6921	0	0	0	0.09	
-6923	H22	SLES	1	79.0306	40.6567	43.2308	HAL2	6921	0	0	0	0.09	
-6924	C3	SLES	1	78.9966	40.9319	45.4465	CTL2	6921	6925	6926	6927	-0.18	
-6925	H31	SLES	1	78.9565	40.1329	46.22	HAL2	6924	0	0	0	0.09	
-6926	H32	SLES	1	79.6536	41.7397	45.8261	HAL2	6924	0	0	0	0.09	
-6927	C4	SLES	1	77.5379	41.5133	45.2318	CTL2	6924	6928	6929	6930	-0.18	
-6928	H41	SLES	1	76.7986	40.7823	45.6206	HAL2	6927	0	0	0	0.09	
-6929	H42	SLES	1	77.3527	41.6416	44.1436	HAL2	6927	0	0	0	0.09	
-6930	C5	SLES	1	77.3212	42.9144	45.9632	CTL2	6927	6931	6932	6933	-0.18	
-6931	H51	SLES	1	78.1105	43.0466	46.7357	HAL2	6930	0	0	0	0.09	
-6932	H52	SLES	1	77.4322	43.7339	45.2168	HAL2	6930	0	0	0	0.09	
-6933	C6	SLES	1	75.9093	43.0357	46.651	CTL2	6930	6934	6935	6936	-0.18	
-6934	H61	SLES	1	75.8879	42.3838	47.553	HAL2	6933	0	0	0	0.09	
-6935	H62	SLES	1	75.7587	44.0889	46.9853	HAL2	6933	0	0	0	0.09	
-6936	C7	SLES	1	74.7369	42.6312	45.7024	CTL2	6933	6937	6938	6939	-0.18	
-6937	H71	SLES	1	74.6458	41.5224	45.6906	HAL2	6936	0	0	0	0.09	
-6938	H72	SLES	1	74.973	42.9673	44.6681	HAL2	6936	0	0	0	0.09	
-6939	C8	SLES	1	73.3811	43.2428	46.1348	CTL2	6936	6940	6941	6942	-0.18	
-6940	H81	SLES	1	73.2502	43.0994	47.2319	HAL2	6939	0	0	0	0.09	
-6941	H82	SLES	1	73.3939	44.3376	45.9299	HAL2	6939	0	0	0	0.09	
-6942	C9	SLES	1	72.1801	42.6031	45.394	CTL2	6939	6943	6944	6945	-0.18	
-6943	H91	SLES	1	72.1852	41.5043	45.5752	HAL2	6942	0	0	0	0.09	
-6944	H92	SLES	1	72.2974	42.7712	44.2997	HAL2	6942	0	0	0	0.09	
-6945	C10	SLES	1	70.8205	43.1831	45.8507	CTL2	6942	6946	6947	6948	-0.18	
-6946	H10	SLES	1	70.6924	42.9942	46.941	HAL2	6945	0	0	0	0.09	
-6947	H10	SLES	1	70.8229	44.285	45.6904	HAL2	6945	0	0	0	0.09	
-6948	C11	SLES	1	69.6222	42.5621	45.085	CTL2	6945	6949	6950	6951	-0.18	
-6949	H11	SLES	1	69.6202	41.461	45.254	HAL2	6948	0	0	0	0.09	
-6950	H11	SLES	1	69.7639	42.7377	43.994	HAL2	6948	0	0	0	0.09	
-6951	C12	SLES	1	68.2451	43.1352	45.5087	CTL3	6948	6952	6953	6954	-0.27	
-6952	H12	SLES	1	67.5898	42.3226	45.8927	HAL3	6951	0	0	0	0.09	
-6953	H12	SLES	1	67.7424	43.6152	44.6402	HAL3	6951	0	0	0	0.09	
-6954	H12	SLES	1	68.3722	43.8961	46.3093	HAL3	6951	0	0	0	0.09	
-6955	NA	SLES	1	89.0853	46.6805	30.7976	NA	0	0	0	0	1	
-6956	S	SLES	1	88.5929	49.6329	32.8931	SL	6957	6958	6959	6960	1.33	
-6957	OS1	SLES	1	87.4038	48.5015	32.5571	OSL	6956	6961	0	0	-0.28	
-6958	OS2	SLES	1	89.6846	48.9074	33.509	O2L	6956	0	0	0	-0.65	
-6959	OS3	SLES	1	89.0152	50.1654	31.6145	O2L	6956	0	0	0	-0.65	
-6960	OS4	SLES	1	88.1652	50.7166	33.7633	O2L	6956	0	0	0	-0.65	
-6961	C2	SLES	1	86.1992	48.7537	33.3973	CC32A	6957	6962	6963	6964	-0.11	
-6962	H2A	SLES	1	86.4728	48.769	34.4891	HCA2	6961	0	0	0	0.09	
-6963	H2B	SLES	1	85.77	49.7548	33.115	HCA2	6961	0	0	0	0.09	
-6964	C1	SLES	1	85.1156	47.605	33.128	CC32A	6961	6965	6966	6967	-0.01	
-6965	H1B	SLES	1	85.5669	46.605	33.3227	HCA2	6964	0	0	0	0.09	
-6966	H1A	SLES	1	84.7754	47.6455	32.067	HCA2	6964	0	0	0	0.09	
-6967	O1	SLES	1	83.8658	47.5663	33.9119	OC30A	6964	6968	0	0	-0.34	
-6968	C2	SLES	1	83.4959	48.7812	34.5973	CC32A	6967	6969	6970	6971	-0.01	
-6969	H2A	SLES	1	84.3572	48.927	35.2782	HCA2	6968	0	0	0	0.09	
-6970	H2B	SLES	1	83.5485	49.5404	33.7848	HCA2	6968	0	0	0	0.09	
-6971	C1	SLES	1	82.166	48.9589	35.3956	CC32A	6968	6972	6973	6974	-0.01	
-6972	H1B	SLES	1	82.3252	48.6728	36.4581	HCA2	6971	0	0	0	0.09	
-6973	H1A	SLES	1	81.8554	50.0222	35.3569	HCA2	6971	0	0	0	0.09	
-6974	O1	SLES	1	80.9489	48.198	35.1086	OC30A	6971	6975	0	0	-0.34	
-6975	C1	SLES	1	79.6887	48.898	35.4182	CTL2	6974	6976	6977	6978	-0.18	
-6976	H11	SLES	1	79.9521	49.8054	35.991	HAL2	6975	0	0	0	0.09	
-6977	H12	SLES	1	79.3543	49.2014	34.4046	HAL2	6975	0	0	0	0.09	
-6978	C2	SLES	1	78.5255	48.1243	36.1563	CTL2	6975	6979	6980	6981	-0.18	
-6979	H21	SLES	1	78.8653	47.0901	36.3881	HAL2	6978	0	0	0	0.09	
-6980	H22	SLES	1	77.6499	48.0523	35.4747	HAL2	6978	0	0	0	0.09	
-6981	C3	SLES	1	78.0747	48.8454	37.5184	CTL2	6978	6982	6983	6984	-0.18	
-6982	H31	SLES	1	78.4944	48.2821	38.3814	HAL2	6981	0	0	0	0.09	
-6983	H32	SLES	1	78.4983	49.8692	37.5425	HAL2	6981	0	0	0	0.09	
-6984	C4	SLES	1	76.5006	48.9359	37.6802	CTL2	6981	6985	6986	6987	-0.18	
-6985	H41	SLES	1	76.1663	48.1506	38.3898	HAL2	6984	0	0	0	0.09	
-6986	H42	SLES	1	76.0207	48.7366	36.6979	HAL2	6984	0	0	0	0.09	
-6987	C5	SLES	1	76.0187	50.3604	38.2128	CTL2	6984	6988	6989	6990	-0.18	
-6988	H51	SLES	1	76.8842	50.8888	38.6701	HAL2	6987	0	0	0	0.09	
-6989	H52	SLES	1	75.6634	50.9688	37.3499	HAL2	6987	0	0	0	0.09	
-6990	C6	SLES	1	74.8629	50.2583	39.2781	CTL2	6987	6991	6992	6993	-0.18	
-6991	H61	SLES	1	75.2826	49.8686	40.2326	HAL2	6990	0	0	0	0.09	
-6992	H62	SLES	1	74.4587	51.2793	39.4727	HAL2	6990	0	0	0	0.09	
-6993	C7	SLES	1	73.6956	49.3289	38.8179	CTL2	6990	6994	6995	6996	-0.18	
-6994	H71	SLES	1	73.978	48.27	39.0096	HAL2	6993	0	0	0	0.09	
-6995	H72	SLES	1	73.5436	49.4508	37.7222	HAL2	6993	0	0	0	0.09	
-6996	C8	SLES	1	72.365	49.6352	39.5493	CTL2	6993	6997	6998	6999	-0.18	
-6997	H81	SLES	1	72.5644	49.7367	40.6408	HAL2	6996	0	0	0	0.09	
-6998	H82	SLES	1	71.9626	50.6064	39.1812	HAL2	6996	0	0	0	0.09	
-6999	C9	SLES	1	71.3011	48.5305	39.3297	CTL2	6996	7000	7001	7002	-0.18	
-7000	H91	SLES	1	71.7154	47.5546	39.6708	HAL2	6999	0	0	0	0.09	
-7001	H92	SLES	1	71.082	48.449	38.2413	HAL2	6999	0	0	0	0.09	
-7002	C10	SLES	1	69.9836	48.8123	40.0901	CTL2	6999	7003	7004	7005	-0.18	
-7003	H10	SLES	1	70.1989	48.8706	41.1814	HAL2	7002	0	0	0	0.09	
-7004	H10	SLES	1	69.5803	49.7983	39.7658	HAL2	7002	0	0	0	0.09	
-7005	C11	SLES	1	68.9098	47.7197	39.8433	CTL2	7002	7006	7007	7008	-0.18	
-7006	H11	SLES	1	69.3152	46.7366	40.1755	HAL2	7005	0	0	0	0.09	
-7007	H11	SLES	1	68.7111	47.6526	38.7493	HAL2	7005	0	0	0	0.09	
-7008	C12	SLES	1	67.5704	47.9822	40.5793	CTL3	7005	7009	7010	7011	-0.27	
-7009	H12	SLES	1	67.3385	47.1425	41.2711	HAL3	7008	0	0	0	0.09	
-7010	H12	SLES	1	66.7389	48.0775	39.8465	HAL3	7008	0	0	0	0.09	
-7011	H12	SLES	1	67.6312	48.9218	41.1704	HAL3	7008	0	0	0	0.09	
-7012	NA	SLES	1	88.5749	56.9707	31.3617	NA	0	0	0	0	1	
-7013	S	SLES	1	86.9396	59.9532	32.6962	SL	7014	7015	7016	7017	1.33	
-7014	OS1	SLES	1	86.243	58.43	32.6548	OSL	7013	7018	0	0	-0.28	
-7015	OS2	SLES	1	88.1663	59.8208	33.4546	O2L	7013	0	0	0	-0.65	
-7016	OS3	SLES	1	87.2446	60.2942	31.3224	O2L	7013	0	0	0	-0.65	
-7017	OS4	SLES	1	86.1009	60.9837	33.2872	O2L	7013	0	0	0	-0.65	
-7018	C2	SLES	1	84.9673	58.4249	33.4248	CC32A	7014	7019	7020	7021	-0.11	
-7019	H2A	SLES	1	85.1376	58.7842	34.4779	HCA2	7018	0	0	0	0.09	
-7020	H2B	SLES	1	84.2404	59.1173	32.9165	HCA2	7018	0	0	0	0.09	
-7021	C1	SLES	1	84.3704	56.9384	33.4511	CC32A	7018	7022	7023	7024	-0.01	
-7022	H1B	SLES	1	85.1239	56.2348	33.8738	HCA2	7021	0	0	0	0.09	
-7023	H1A	SLES	1	84.1161	56.6133	32.4154	HCA2	7021	0	0	0	0.09	
-7024	O1	SLES	1	83.157	56.6406	34.2365	OC30A	7021	7025	0	0	-0.34	
-7025	C2	SLES	1	82.3406	57.7684	34.616	CC32A	7024	7026	7027	7028	-0.01	
-7026	H2A	SLES	1	83.0459	58.3601	35.2318	HCA2	7025	0	0	0	0.09	
-7027	H2B	SLES	1	82.1871	58.2907	33.6449	HCA2	7025	0	0	0	0.09	
-7028	C1	SLES	1	80.9764	57.6419	35.3645	CC32A	7025	7029	7030	7031	-0.01	
-7029	H1B	SLES	1	81.1461	57.6806	36.4626	HCA2	7028	0	0	0	0.09	
-7030	H1A	SLES	1	80.3211	58.4881	35.0764	HCA2	7028	0	0	0	0.09	
-7031	O1	SLES	1	80.122	56.4561	35.2825	OC30A	7028	7032	0	0	-0.34	
-7032	C1	SLES	1	78.6783	56.7167	35.4309	CTL2	7031	7033	7034	7035	-0.18	
-7033	H11	SLES	1	78.569	57.7637	35.7669	HAL2	7032	0	0	0	0.09	
-7034	H12	SLES	1	78.3352	56.6431	34.3783	HAL2	7032	0	0	0	0.09	
-7035	C2	SLES	1	77.8034	55.772	36.3466	CTL2	7032	7036	7037	7038	-0.18	
-7036	H21	SLES	1	78.4617	55.0064	36.8148	HAL2	7035	0	0	0	0.09	
-7037	H22	SLES	1	77.0592	55.2422	35.7125	HAL2	7035	0	0	0	0.09	
-7038	C3	SLES	1	77.0323	56.5775	37.502	CTL2	7035	7039	7040	7041	-0.18	
-7039	H31	SLES	1	77.5562	56.4112	38.4696	HAL2	7038	0	0	0	0.09	
-7040	H32	SLES	1	77.0728	57.6616	37.2755	HAL2	7038	0	0	0	0.09	
-7041	C4	SLES	1	75.5166	56.1406	37.6564	CTL2	7038	7042	7043	7044	-0.18	
-7042	H41	SLES	1	75.4231	55.4715	38.5372	HAL2	7041	0	0	0	0.09	
-7043	H42	SLES	1	75.2088	55.5663	36.7562	HAL2	7041	0	0	0	0.09	
-7044	C5	SLES	1	74.5342	57.3842	37.8388	CTL2	7041	7045	7046	7047	-0.18	
-7045	H51	SLES	1	75.1275	58.2736	38.146	HAL2	7044	0	0	0	0.09	
-7046	H52	SLES	1	74.055	57.6142	36.8598	HAL2	7044	0	0	0	0.09	
-7047	C6	SLES	1	73.4099	57.1261	38.9114	CTL2	7044	7048	7049	7050	-0.18	
-7048	H61	SLES	1	73.8671	57.1382	39.9262	HAL2	7047	0	0	0	0.09	
-7049	H62	SLES	1	72.6646	57.9541	38.861	HAL2	7047	0	0	0	0.09	
-7050	C7	SLES	1	72.6731	55.7656	38.7009	CTL2	7047	7051	7052	7053	-0.18	
-7051	H71	SLES	1	73.2892	54.9482	39.1368	HAL2	7050	0	0	0	0.09	
-7052	H72	SLES	1	72.5693	55.5729	37.6098	HAL2	7050	0	0	0	0.09	
-7053	C8	SLES	1	71.2687	55.7403	39.3538	CTL2	7050	7054	7055	7056	-0.18	
-7054	H81	SLES	1	71.3398	56.1515	40.3869	HAL2	7053	0	0	0	0.09	
-7055	H82	SLES	1	70.5836	56.3955	38.769	HAL2	7053	0	0	0	0.09	
-7056	C9	SLES	1	70.6714	54.3121	39.4176	CTL2	7053	7057	7058	7059	-0.18	
-7057	H91	SLES	1	71.3712	53.6506	39.9771	HAL2	7056	0	0	0	0.09	
-7058	H92	SLES	1	70.5746	53.9128	38.3829	HAL2	7056	0	0	0	0.09	
-7059	C10	SLES	1	69.2856	54.2757	40.1043	CTL2	7056	7060	7061	7062	-0.18	
-7060	H10	SLES	1	69.3866	54.6533	41.1474	HAL2	7059	0	0	0	0.09	
-7061	H10	SLES	1	68.5914	54.954	39.5585	HAL2	7059	0	0	0	0.09	
-7062	C11	SLES	1	68.6769	52.8488	40.139	CTL2	7059	7063	7064	7065	-0.18	
-7063	H11	SLES	1	69.3716	52.1756	40.6917	HAL2	7062	0	0	0	0.09	
-7064	H11	SLES	1	68.5947	52.4684	39.0951	HAL2	7062	0	0	0	0.09	
-7065	C12	SLES	1	67.2792	52.7816	40.8069	CTL3	7062	7066	7067	7068	-0.27	
-7066	H12	SLES	1	67.3015	52.0954	41.6821	HAL3	7065	0	0	0	0.09	
-7067	H12	SLES	1	66.5222	52.4075	40.0826	HAL3	7065	0	0	0	0.09	
-7068	H12	SLES	1	66.9677	53.7904	41.1554	HAL3	7065	0	0	0	0.09	
-7069	NA	SLES	1	85.3927	67.0156	31.971	NA	0	0	0	0	1	
-7070	S	SLES	1	82.6842	69.4132	32.4864	SL	7071	7072	7073	7074	1.33	
-7071	OS1	SLES	1	82.5571	67.7664	32.7678	OSL	7070	7075	0	0	-0.28	
-7072	OS2	SLES	1	83.7734	69.8863	33.3153	O2L	7070	0	0	0	-0.65	
-7073	OS3	SLES	1	83.0312	69.5574	31.088	O2L	7070	0	0	0	-0.65	
-7074	OS4	SLES	1	81.4764	70.1692	32.7768	O2L	7070	0	0	0	-0.65	
-7075	C2	SLES	1	81.2701	67.4576	33.4524	CC32A	7071	7076	7077	7078	-0.11	
-7076	H2A	SLES	1	81.1701	68.058	34.3994	HCA2	7075	0	0	0	0.09	
-7077	H2B	SLES	1	80.4242	67.7249	32.7603	HCA2	7075	0	0	0	0.09	
-7078	C1	SLES	1	81.2147	65.8939	33.796	CC32A	7075	7079	7080	7081	-0.01	
-7079	H1B	SLES	1	82.1005	65.6089	34.4089	HCA2	7078	0	0	0	0.09	
-7080	H1A	SLES	1	81.2227	65.2979	32.8537	HCA2	7078	0	0	0	0.09	
-7081	O1	SLES	1	80.0831	65.3439	34.5672	OC30A	7078	7082	0	0	-0.34	
-7082	C2	SLES	1	78.8906	66.1542	34.6306	CC32A	7081	7083	7084	7085	-0.01	
-7083	H2A	SLES	1	79.2671	67.0708	35.1255	HCA2	7082	0	0	0	0.09	
-7084	H2B	SLES	1	78.6967	66.3796	33.5578	HCA2	7082	0	0	0	0.09	
-7085	C1	SLES	1	77.5653	65.6986	35.3185	CC32A	7082	7086	7087	7088	-0.01	
-7086	H1B	SLES	1	77.5675	66.0158	36.3841	HCA2	7085	0	0	0	0.09	
-7087	H1A	SLES	1	76.7051	66.1761	34.8077	HCA2	7085	0	0	0	0.09	
-7088	O1	SLES	1	77.182	64.2944	35.4735	OC30A	7085	7089	0	0	-0.34	
-7089	C1	SLES	1	75.7292	64.0424	35.484	CTL2	7088	7090	7091	7092	-0.18	
-7090	H11	SLES	1	75.2286	65.0246	35.5597	HAL2	7089	0	0	0	0.09	
-7091	H12	SLES	1	75.5713	63.6402	34.462	HAL2	7089	0	0	0	0.09	
-7092	C2	SLES	1	75.1154	63.051	36.5502	CTL2	7089	7093	7094	7095	-0.18	
-7093	H21	SLES	1	75.9276	62.6844	37.2171	HAL2	7092	0	0	0	0.09	
-7094	H22	SLES	1	74.6842	62.1731	36.0212	HAL2	7092	0	0	0	0.09	
-7095	C3	SLES	1	73.9736	63.7398	37.4448	CTL2	7092	7096	7097	7098	-0.18	
-7096	H31	SLES	1	74.3923	63.9713	38.4495	HAL2	7095	0	0	0	0.09	
-7097	H32	SLES	1	73.6731	64.6966	36.9731	HAL2	7095	0	0	0	0.09	
-7098	C4	SLES	1	72.6895	62.8275	37.6208	CTL2	7095	7099	7100	7101	-0.18	
-7099	H41	SLES	1	72.7148	62.3614	38.6279	HAL2	7098	0	0	0	0.09	
-7100	H42	SLES	1	72.7145	62.0126	36.8657	HAL2	7098	0	0	0	0.09	
-7101	C5	SLES	1	71.3287	63.644	37.4573	CTL2	7098	7102	7103	7104	-0.18	
-7102	H51	SLES	1	71.54	64.7295	37.5773	HAL2	7101	0	0	0	0.09	
-7103	H52	SLES	1	70.9315	63.4843	36.4289	HAL2	7101	0	0	0	0.09	
-7104	C6	SLES	1	70.2293	63.22	38.5027	CTL2	7101	7105	7106	7107	-0.18	
-7105	H61	SLES	1	70.5192	63.5996	39.5082	HAL2	7104	0	0	0	0.09	
-7106	H62	SLES	1	69.2607	63.6962	38.2225	HAL2	7104	0	0	0	0.09	
-7107	C7	SLES	1	70.0316	61.6731	38.5797	CTL2	7104	7108	7109	7110	-0.18	
-7108	H71	SLES	1	70.8262	61.2375	39.2253	HAL2	7107	0	0	0	0.09	
-7109	H72	SLES	1	70.1421	61.2408	37.5603	HAL2	7107	0	0	0	0.09	
-7110	C8	SLES	1	68.6468	61.2761	39.1491	CTL2	7107	7111	7112	7113	-0.18	
-7111	H81	SLES	1	68.4394	61.884	40.0594	HAL2	7110	0	0	0	0.09	
-7112	H82	SLES	1	67.8623	61.509	38.3935	HAL2	7110	0	0	0	0.09	
-7113	C9	SLES	1	68.5664	59.7727	39.5153	CTL2	7110	7114	7115	7116	-0.18	
-7114	H91	SLES	1	69.3701	59.5342	40.2485	HAL2	7113	0	0	0	0.09	
-7115	H92	SLES	1	68.7462	59.1661	38.5993	HAL2	7113	0	0	0	0.09	
-7116	C10	SLES	1	67.1984	59.3792	40.1209	CTL2	7113	7117	7118	7119	-0.18	
-7117	H10	SLES	1	67.0288	59.9693	41.0503	HAL2	7116	0	0	0	0.09	
-7118	H10	SLES	1	66.3924	59.6378	39.3973	HAL2	7116	0	0	0	0.09	
-7119	C11	SLES	1	67.1107	57.867	40.458	CTL2	7116	7120	7121	7122	-0.18	
-7120	H11	SLES	1	67.9144	57.6147	41.1871	HAL2	7119	0	0	0	0.09	
-7121	H11	SLES	1	67.2988	57.281	39.5294	HAL2	7119	0	0	0	0.09	
-7122	C12	SLES	1	65.7443	57.4373	41.052	CTL3	7119	7123	7124	7125	-0.27	
-7123	H12	SLES	1	65.8841	56.9962	42.0635	HAL3	7122	0	0	0	0.09	
-7124	H12	SLES	1	65.2601	56.6785	40.3983	HAL3	7122	0	0	0	0.09	
-7125	H12	SLES	1	65.0667	58.3145	41.1385	HAL3	7122	0	0	0	0.09	
-7126	NA	SLES	1	79.5782	76.0874	32.584	NA	0	0	0	0	1	
-7127	S	SLES	1	76.1766	77.3858	32.2779	SL	7128	7129	7130	7131	1.33	
-7128	OS1	SLES	1	76.5613	75.8736	32.8881	OSL	7127	7132	0	0	-0.28	
-7129	OS2	SLES	1	76.8785	78.349	33.1007	O2L	7127	0	0	0	-0.65	
-7130	OS3	SLES	1	76.6977	77.4197	30.9273	O2L	7127	0	0	0	-0.65	
-7131	OS4	SLES	1	74.754	77.6872	32.2669	O2L	7127	0	0	0	-0.65	
-7132	C2	SLES	1	75.3526	75.2324	33.4783	CC32A	7128	7133	7134	7135	-0.11	
-7133	H2A	SLES	1	74.8905	75.899	34.2588	HCA2	7132	0	0	0	0.09	
-7134	H2B	SLES	1	74.6033	75.059	32.657	HCA2	7132	0	0	0	0.09	
-7135	C1	SLES	1	75.7648	73.8324	34.139	CC32A	7132	7136	7137	7138	-0.01	
-7136	H1B	SLES	1	76.5711	73.9912	34.8915	HCA2	7135	0	0	0	0.09	
-7137	H1A	SLES	1	76.1395	73.1372	33.352	HCA2	7135	0	0	0	0.09	
-7138	O1	SLES	1	74.7654	73.0402	34.8815	OC30A	7135	7139	0	0	-0.34	
-7139	C2	SLES	1	73.3791	73.3605	34.6403	CC32A	7138	7140	7141	7142	-0.01	
-7140	H2A	SLES	1	73.332	74.4179	34.9665	HCA2	7139	0	0	0	0.09	
-7141	H2B	SLES	1	73.3146	73.3246	33.5295	HCA2	7139	0	0	0	0.09	
-7142	C1	SLES	1	72.1835	72.5712	35.2606	CC32A	7139	7143	7144	7145	-0.01	
-7143	H1B	SLES	1	71.8899	73.0341	36.2279	HCA2	7142	0	0	0	0.09	
-7144	H1A	SLES	1	71.3183	72.6147	34.5691	HCA2	7142	0	0	0	0.09	
-7145	O1	SLES	1	72.2723	71.1682	35.6685	OC30A	7142	7146	0	0	-0.34	
-7146	C1	SLES	1	71.0109	70.4105	35.5739	CTL2	7145	7147	7148	7149	-0.18	
-7147	H11	SLES	1	70.2049	71.142	35.3834	HAL2	7146	0	0	0	0.09	
-7148	H12	SLES	1	71.1812	69.8199	34.6501	HAL2	7146	0	0	0	0.09	
-7149	C2	SLES	1	70.5862	69.4489	36.7534	CTL2	7146	7150	7151	7152	-0.18	
-7150	H21	SLES	1	71.3421	69.5147	37.5676	HAL2	7149	0	0	0	0.09	
-7151	H22	SLES	1	70.5756	68.4016	36.3798	HAL2	7149	0	0	0	0.09	
-7152	C3	SLES	1	69.1398	69.8096	37.3505	CTL2	7149	7153	7154	7155	-0.18	
-7153	H31	SLES	1	69.2712	70.3355	38.3224	HAL2	7152	0	0	0	0.09	
-7154	H32	SLES	1	68.6247	70.5027	36.6559	HAL2	7152	0	0	0	0.09	
-7155	C4	SLES	1	68.2266	68.5339	37.5757	CTL2	7152	7156	7157	7158	-0.18	
-7156	H41	SLES	1	68.2274	68.2771	38.6556	HAL2	7155	0	0	0	0.09	
-7157	H42	SLES	1	68.6571	67.6739	37.0189	HAL2	7155	0	0	0	0.09	
-7158	C5	SLES	1	66.7228	68.7623	37.0945	CTL2	7155	7159	7160	7161	-0.18	
-7159	H51	SLES	1	66.5329	69.8545	37.0027	HAL2	7158	0	0	0	0.09	
-7160	H52	SLES	1	66.5914	68.3062	36.0867	HAL2	7158	0	0	0	0.09	
-7161	C6	SLES	1	65.6621	68.1415	38.0798	CTL2	7158	7162	7163	7164	-0.18	
-7162	H61	SLES	1	65.6245	68.7566	39.0068	HAL2	7161	0	0	0	0.09	
-7163	H62	SLES	1	64.656	68.1814	37.6007	HAL2	7161	0	0	0	0.09	
-7164	C7	SLES	1	65.9844	66.6624	38.4627	CTL2	7161	7165	7166	7167	-0.18	
-7165	H71	SLES	1	66.7509	66.6552	39.2691	HAL2	7164	0	0	0	0.09	
-7166	H72	SLES	1	66.4126	66.1422	37.5771	HAL2	7164	0	0	0	0.09	
-7167	C8	SLES	1	64.7352	65.8861	38.949	CTL2	7164	7168	7169	7170	-0.18	
-7168	H81	SLES	1	64.1777	66.5148	39.6806	HAL2	7167	0	0	0	0.09	
-7169	H82	SLES	1	64.0655	65.6934	38.0801	HAL2	7167	0	0	0	0.09	
-7170	C9	SLES	1	65.1	64.5362	39.6161	CTL2	7167	7171	7172	7173	-0.18	
-7171	H91	SLES	1	65.7933	64.7272	40.4666	HAL2	7170	0	0	0	0.09	
-7172	H92	SLES	1	65.6325	63.8977	38.8757	HAL2	7170	0	0	0	0.09	
-7173	C10	SLES	1	63.8587	63.775	40.1388	CTL2	7170	7174	7175	7176	-0.18	
-7174	H10	SLES	1	63.3388	64.4041	40.8969	HAL2	7173	0	0	0	0.09	
-7175	H10	SLES	1	63.1548	63.6032	39.2932	HAL2	7173	0	0	0	0.09	
-7176	C11	SLES	1	64.2249	62.4096	40.7787	CTL2	7173	7177	7178	7179	-0.18	
-7177	H11	SLES	1	64.9236	62.5873	41.6281	HAL2	7176	0	0	0	0.09	
-7178	H11	SLES	1	64.7603	61.7911	40.0226	HAL2	7176	0	0	0	0.09	
-7179	C12	SLES	1	62.9994	61.614	41.2979	CTL3	7176	7180	7181	7182	-0.27	
-7180	H12	SLES	1	63.097	61.4224	42.3893	HAL3	7179	0	0	0	0.09	
-7181	H12	SLES	1	62.922	60.6368	40.7721	HAL3	7179	0	0	0	0.09	
-7182	H12	SLES	1	62.0629	62.1866	41.1211	HAL3	7179	0	0	0	0.09	
-7183	NA	SLES	1	71.3953	83.4415	33.1588	NA	0	0	0	0	1	
-7184	S	SLES	1	67.9035	83.373	32.0849	SL	7185	7186	7187	7188	1.33	
-7185	OS1	SLES	1	68.6337	82.1804	33.0077	OSL	7184	7189	0	0	-0.28	
-7186	OS2	SLES	1	68.0492	84.609	32.8255	O2L	7184	0	0	0	-0.65	
-7187	OS3	SLES	1	68.6582	83.4464	30.8513	O2L	7184	0	0	0	-0.65	
-7188	OS4	SLES	1	66.4994	83.1336	31.7923	O2L	7184	0	0	0	-0.65	
-7189	C2	SLES	1	67.6139	81.2122	33.5005	CC32A	7185	7190	7191	7192	-0.11	
-7190	H2A	SLES	1	66.7999	81.7461	34.0658	HCA2	7189	0	0	0	0.09	
-7191	H2B	SLES	1	67.1594	80.6898	32.6136	HCA2	7189	0	0	0	0.09	
-7192	C1	SLES	1	68.3208	80.1388	34.4568	CC32A	7189	7193	7194	7195	-0.01	
-7193	H1B	SLES	1	68.8471	80.661	35.2887	HCA2	7192	0	0	0	0.09	
-7194	H1A	SLES	1	69.0655	79.5459	33.8764	HCA2	7192	0	0	0	0.09	
-7195	O1	SLES	1	67.5111	79.1237	35.158	OC30A	7192	7196	0	0	-0.34	
-7196	C2	SLES	1	66.183	78.8898	34.6443	CC32A	7195	7197	7198	7199	-0.01	
-7197	H2A	SLES	1	65.7156	79.8866	34.7657	HCA2	7196	0	0	0	0.09	
-7198	H2B	SLES	1	66.3726	78.712	33.5618	HCA2	7196	0	0	0	0.09	
-7199	C1	SLES	1	65.2183	77.7926	35.1948	CC32A	7196	7200	7201	7202	-0.01	
-7200	H1B	SLES	1	64.5876	78.2198	36.0046	HCA2	7199	0	0	0	0.09	
-7201	H1A	SLES	1	64.5572	77.4429	34.3768	HCA2	7199	0	0	0	0.09	
-7202	O1	SLES	1	65.6835	76.5714	35.8543	OC30A	7199	7203	0	0	-0.34	
-7203	C1	SLES	1	64.8002	75.4016	35.6944	CTL2	7202	7204	7205	7206	-0.18	
-7204	H11	SLES	1	63.8558	75.7646	35.2502	HAL2	7203	0	0	0	0.09	
-7205	H12	SLES	1	65.3515	74.8163	34.9297	HAL2	7203	0	0	0	0.09	
-7206	C2	SLES	1	64.4816	74.4862	36.9422	CTL2	7203	7207	7208	7209	-0.18	
-7207	H21	SLES	1	64.9797	74.9108	37.8425	HAL2	7206	0	0	0	0.09	
-7208	H22	SLES	1	64.9028	73.4726	36.7638	HAL2	7206	0	0	0	0.09	
-7209	C3	SLES	1	62.9061	74.3594	37.2257	CTL2	7206	7210	7211	7212	-0.18	
-7210	H31	SLES	1	62.6432	74.9998	38.0969	HAL2	7209	0	0	0	0.09	
-7211	H32	SLES	1	62.349	74.7376	36.3455	HAL2	7209	0	0	0	0.09	
-7212	C4	SLES	1	62.4479	72.8718	37.5243	CTL2	7209	7213	7214	7215	-0.18	
-7213	H41	SLES	1	62.3047	72.7523	38.6185	HAL2	7212	0	0	0	0.09	
-7214	H42	SLES	1	63.2501	72.1719	37.2055	HAL2	7212	0	0	0	0.09	
-7215	C5	SLES	1	61.0939	72.4839	36.775	CTL2	7212	7216	7217	7218	-0.18	
-7216	H51	SLES	1	60.5729	73.4154	36.4614	HAL2	7215	0	0	0	0.09	
-7217	H52	SLES	1	61.3411	71.9043	35.8564	HAL2	7215	0	0	0	0.09	
-7218	C6	SLES	1	60.1189	71.6316	37.6717	CTL2	7215	7219	7220	7221	-0.18	
-7219	H61	SLES	1	59.6805	72.2881	38.4564	HAL2	7218	0	0	0	0.09	
-7220	H62	SLES	1	59.2843	71.2505	37.0378	HAL2	7218	0	0	0	0.09	
-7221	C7	SLES	1	60.829	70.4221	38.3579	CTL2	7218	7222	7223	7224	-0.18	
-7222	H71	SLES	1	61.363	70.782	39.2651	HAL2	7221	0	0	0	0.09	
-7223	H72	SLES	1	61.5852	69.9998	37.6591	HAL2	7221	0	0	0	0.09	
-7224	C8	SLES	1	59.8395	69.3029	38.7673	CTL2	7221	7225	7226	7227	-0.18	
-7225	H81	SLES	1	58.9611	69.7617	39.2765	HAL2	7224	0	0	0	0.09	
-7226	H82	SLES	1	59.4746	68.7864	37.8504	HAL2	7224	0	0	0	0.09	
-7227	C9	SLES	1	60.4848	68.2593	39.7133	CTL2	7224	7228	7229	7230	-0.18	
-7228	H91	SLES	1	60.8757	68.7808	40.6165	HAL2	7227	0	0	0	0.09	
-7229	H92	SLES	1	61.3453	67.7814	39.1933	HAL2	7227	0	0	0	0.09	
-7230	C10	SLES	1	59.4896	67.1609	40.1566	CTL2	7227	7231	7232	7233	-0.18	
-7231	H10	SLES	1	58.64	67.6368	40.6975	HAL2	7230	0	0	0	0.09	
-7232	H10	SLES	1	59.0815	66.6539	39.2531	HAL2	7230	0	0	0	0.09	
-7233	C11	SLES	1	60.1472	66.1006	41.0793	CTL2	7230	7234	7235	7236	-0.18	
-7234	H11	SLES	1	60.5478	66.6117	41.9846	HAL2	7233	0	0	0	0.09	
-7235	H11	SLES	1	61.0071	65.6405	40.5409	HAL2	7233	0	0	0	0.09	
-7236	C12	SLES	1	59.1788	64.9758	41.5279	CTL3	7233	7237	7238	7239	-0.27	
-7237	H12	SLES	1	59.1001	64.9531	42.6372	HAL3	7236	0	0	0	0.09	
-7238	H12	SLES	1	59.5476	63.9861	41.1785	HAL3	7236	0	0	0	0.09	
-7239	H12	SLES	1	58.1651	65.1458	41.1041	HAL3	7236	0	0	0	0.09	
-7240	NA	SLES	1	61.3504	88.4014	33.6564	NA	0	0	0	0	1	
-7241	S	SLES	1	58.4436	87.0276	31.9206	SL	7242	7243	7244	7245	1.33	
-7242	OS1	SLES	1	59.2973	86.2254	33.1184	OSL	7241	7246	0	0	-0.28	
-7243	OS2	SLES	1	57.9838	88.2688	32.5082	O2L	7241	0	0	0	-0.65	
-7244	OS3	SLES	1	59.395	87.3054	30.865	O2L	7241	0	0	0	-0.65	
-7245	OS4	SLES	1	57.3139	86.2847	31.3853	O2L	7241	0	0	0	-0.65	
-7246	C2	SLES	1	58.5811	84.9812	33.5177	CC32A	7242	7247	7248	7249	-0.11	
-7247	H2A	SLES	1	57.526	85.2143	33.8334	HCA2	7246	0	0	0	0.09	
-7248	H2B	SLES	1	58.5518	84.2865	32.6331	HCA2	7246	0	0	0	0.09	
-7249	C1	SLES	1	59.3654	84.2836	34.7279	CC32A	7246	7250	7251	7252	-0.01	
-7250	H1B	SLES	1	59.4731	85.0011	35.5735	HCA2	7249	0	0	0	0.09	
-7251	H1A	SLES	1	60.3809	83.9699	34.3911	HCA2	7249	0	0	0	0.09	
-7252	O1	SLES	1	58.8078	83.0817	35.3778	OC30A	7249	7253	0	0	-0.34	
-7253	C2	SLES	1	57.7972	82.3602	34.6424	CC32A	7252	7254	7255	7256	-0.01	
-7254	H2A	SLES	1	57.0049	83.127	34.5367	HCA2	7253	0	0	0	0.09	
-7255	H2B	SLES	1	58.2837	82.2083	33.6526	HCA2	7253	0	0	0	0.09	
-7256	C1	SLES	1	57.1616	81.0187	35.1256	CC32A	7253	7257	7258	7259	-0.01	
-7257	H1B	SLES	1	56.2524	81.2304	35.7294	HCA2	7256	0	0	0	0.09	
-7258	H1A	SLES	1	56.8693	80.4139	34.2438	HCA2	7256	0	0	0	0.09	
-7259	O1	SLES	1	57.8452	80.0813	36.0181	OC30A	7256	7260	0	0	-0.34	
-7260	C1	SLES	1	57.4746	78.6656	35.8374	CTL2	7259	7261	7262	7263	-0.18	
-7261	H11	SLES	1	56.595	78.6418	35.169	HAL2	7260	0	0	0	0.09	
-7262	H12	SLES	1	58.3543	78.2802	35.2819	HAL2	7260	0	0	0	0.09	
-7263	C2	SLES	1	57.2026	77.7608	37.1038	CTL2	7260	7264	7265	7266	-0.18	
-7264	H21	SLES	1	57.3017	78.3808	38.0229	HAL2	7263	0	0	0	0.09	
-7265	H22	SLES	1	57.9719	76.959	37.1471	HAL2	7263	0	0	0	0.09	
-7266	C3	SLES	1	55.7438	77.0902	37.0788	CTL2	7263	7267	7268	7269	-0.18	
-7267	H31	SLES	1	55.0831	77.6361	37.7886	HAL2	7266	0	0	0	0.09	
-7268	H32	SLES	1	55.314	77.1979	36.063	HAL2	7266	0	0	0	0.09	
-7269	C4	SLES	1	55.7609	75.5544	37.4699	CTL2	7266	7270	7271	7272	-0.18	
-7270	H41	SLES	1	55.4148	75.4465	38.5191	HAL2	7269	0	0	0	0.09	
-7271	H42	SLES	1	56.8038	75.1748	37.4127	HAL2	7269	0	0	0	0.09	
-7272	C5	SLES	1	54.8342	74.6683	36.5207	CTL2	7269	7273	7274	7275	-0.18	
-7273	H51	SLES	1	54.117	75.3329	35.9904	HAL2	7272	0	0	0	0.09	
-7274	H52	SLES	1	55.471	74.171	35.7538	HAL2	7272	0	0	0	0.09	
-7275	C6	SLES	1	54.0249	73.5684	37.306	CTL2	7272	7276	7277	7278	-0.18	
-7276	H61	SLES	1	53.2191	74.0619	37.8944	HAL2	7275	0	0	0	0.09	
-7277	H62	SLES	1	53.5422	72.8813	36.5723	HAL2	7275	0	0	0	0.09	
-7278	C7	SLES	1	54.9216	72.7315	38.2722	CTL2	7275	7279	7280	7281	-0.18	
-7279	H71	SLES	1	55.0737	73.3045	39.2137	HAL2	7278	0	0	0	0.09	
-7280	H72	SLES	1	55.9174	72.575	37.8008	HAL2	7278	0	0	0	0.09	
-7281	C8	SLES	1	54.3037	71.3534	38.6163	CTL2	7278	7282	7283	7284	-0.18	
-7282	H81	SLES	1	53.2285	71.4905	38.8744	HAL2	7281	0	0	0	0.09	
-7283	H82	SLES	1	54.3611	70.6948	37.7198	HAL2	7281	0	0	0	0.09	
-7284	C9	SLES	1	55.0241	70.6607	39.8002	CTL2	7281	7285	7286	7287	-0.18	
-7285	H91	SLES	1	54.992	71.3326	40.6879	HAL2	7284	0	0	0	0.09	
-7286	H92	SLES	1	56.092	70.4989	39.5305	HAL2	7284	0	0	0	0.09	
-7287	C10	SLES	1	54.3861	69.3016	40.1733	CTL2	7284	7288	7289	7290	-0.18	
-7288	H10	SLES	1	53.324	69.4665	40.4658	HAL2	7287	0	0	0	0.09	
-7289	H10	SLES	1	54.3978	68.637	39.28	HAL2	7287	0	0	0	0.09	
-7290	C11	SLES	1	55.1289	68.5967	41.3391	CTL2	7287	7291	7292	7293	-0.18	
-7291	H11	SLES	1	55.1086	69.2624	42.2322	HAL2	7290	0	0	0	0.09	
-7292	H11	SLES	1	56.1945	68.4503	41.0492	HAL2	7290	0	0	0	0.09	
-7293	C12	SLES	1	54.523	67.2228	41.7262	CTL3	7290	7294	7295	7296	-0.27	
-7294	H12	SLES	1	54.1993	67.2291	42.7904	HAL3	7293	0	0	0	0.09	
-7295	H12	SLES	1	55.2765	66.4158	41.5898	HAL3	7293	0	0	0	0.09	
-7296	H12	SLES	1	53.6409	66.9953	41.0889	HAL3	7293	0	0	0	0.09	
-7297	NA	SLES	1	50.1713	90.4515	34.0428	NA	0	0	0	0	1	
-7298	S	SLES	1	48.4237	88.1605	31.7961	SL	7299	7300	7301	7302	1.33	
-7299	OS1	SLES	1	49.1892	87.6972	33.2127	OSL	7298	7303	0	0	-0.28	
-7300	OS2	SLES	1	47.4369	89.1521	32.1707	O2L	7298	0	0	0	-0.65	
-7301	OS3	SLES	1	49.4434	88.7691	30.9677	O2L	7298	0	0	0	-0.65	
-7302	OS4	SLES	1	47.7834	87.073	31.0737	O2L	7298	0	0	0	-0.65	
-7303	C2	SLES	1	48.8739	86.2755	33.5286	CC32A	7299	7304	7305	7306	-0.11	
-7304	H2A	SLES	1	47.7605	86.1172	33.5776	HCA2	7303	0	0	0	0.09	
-7305	H2B	SLES	1	49.299	85.6259	32.7141	HCA2	7303	0	0	0	0.09	
-7306	C1	SLES	1	49.5374	85.8853	34.9336	CC32A	7303	7307	7308	7309	-0.01	
-7307	H1B	SLES	1	49.1848	86.5844	35.7264	HCA2	7306	0	0	0	0.09	
-7308	H1A	SLES	1	50.6478	85.9546	34.861	HCA2	7306	0	0	0	0.09	
-7309	O1	SLES	1	49.2915	84.5563	35.5259	OC30A	7306	7310	0	0	-0.34	
-7310	C2	SLES	1	48.7997	83.5333	34.6347	CC32A	7309	7311	7312	7313	-0.01	
-7311	H2A	SLES	1	47.8411	83.9719	34.2952	HCA2	7310	0	0	0	0.09	
-7312	H2B	SLES	1	49.5303	83.5749	33.7957	HCA2	7310	0	0	0	0.09	
-7313	C1	SLES	1	48.5712	82.0479	35.0576	CC32A	7310	7314	7315	7316	-0.01	
-7314	H1B	SLES	1	47.5286	81.9177	35.4212	HCA2	7313	0	0	0	0.09	
-7315	H1A	SLES	1	48.7258	81.3895	34.1794	HCA2	7313	0	0	0	0.09	
-7316	O1	SLES	1	49.3021	81.4017	36.1489	OC30A	7313	7317	0	0	-0.34	
-7317	C1	SLES	1	49.4984	79.9487	35.9931	CTL2	7316	7318	7319	7320	-0.18	
-7318	H11	SLES	1	48.8683	79.6238	35.1454	HAL2	7317	0	0	0	0.09	
-7319	H12	SLES	1	50.5627	79.9055	35.6825	HAL2	7317	0	0	0	0.09	
-7320	C2	SLES	1	49.2615	78.991	37.2272	CTL2	7317	7321	7322	7323	-0.18	
-7321	H21	SLES	1	48.9174	79.5949	38.0965	HAL2	7320	0	0	0	0.09	
-7322	H22	SLES	1	50.2264	78.5121	37.5034	HAL2	7320	0	0	0	0.09	
-7323	C3	SLES	1	48.1756	77.8487	36.9199	CTL2	7320	7324	7325	7326	-0.18	
-7324	H31	SLES	1	47.2177	78.1174	37.4183	HAL2	7323	0	0	0	0.09	
-7325	H32	SLES	1	47.9913	77.8099	35.8277	HAL2	7323	0	0	0	0.09	
-7326	C4	SLES	1	48.6286	76.4133	37.4164	CTL2	7323	7327	7328	7329	-0.18	
-7327	H41	SLES	1	48.1009	76.1775	38.3641	HAL2	7326	0	0	0	0.09	
-7328	H42	SLES	1	49.7197	76.4272	37.6264	HAL2	7326	0	0	0	0.09	
-7329	C5	SLES	1	48.3209	75.2685	36.3488	CTL2	7326	7330	7331	7332	-0.18	
-7330	H51	SLES	1	47.5672	75.6433	35.6216	HAL2	7329	0	0	0	0.09	
-7331	H52	SLES	1	49.254	75.0375	35.7859	HAL2	7329	0	0	0	0.09	
-7332	C6	SLES	1	47.779	73.9443	37.0077	CTL2	7329	7333	7334	7335	-0.18	
-7333	H61	SLES	1	46.7366	74.1143	37.3591	HAL2	7332	0	0	0	0.09	
-7334	H62	SLES	1	47.7539	73.1399	36.2359	HAL2	7332	0	0	0	0.09	
-7335	C7	SLES	1	48.6509	73.4664	38.2117	CTL2	7332	7336	7337	7338	-0.18	
-7336	H71	SLES	1	48.3657	74.0449	39.1183	HAL2	7335	0	0	0	0.09	
-7337	H72	SLES	1	49.7213	73.6774	37.9923	HAL2	7335	0	0	0	0.09	
-7338	C8	SLES	1	48.4843	71.9549	38.5063	CTL2	7335	7339	7340	7341	-0.18	
-7339	H81	SLES	1	47.3996	71.7003	38.5018	HAL2	7338	0	0	0	0.09	
-7340	H82	SLES	1	48.9784	71.3699	37.6974	HAL2	7338	0	0	0	0.09	
-7341	C9	SLES	1	49.0943	71.5471	39.8708	CTL2	7338	7342	7343	7344	-0.18	
-7342	H91	SLES	1	48.6207	72.1536	40.676	HAL2	7341	0	0	0	0.09	
-7343	H92	SLES	1	50.1838	71.7761	39.8642	HAL2	7341	0	0	0	0.09	
-7344	C10	SLES	1	48.896	70.0459	40.1877	CTL2	7341	7345	7346	7347	-0.18	
-7345	H10	SLES	1	47.8054	69.8215	40.2175	HAL2	7344	0	0	0	0.09	
-7346	H10	SLES	1	49.35	69.439	39.3718	HAL2	7344	0	0	0	0.09	
-7347	C11	SLES	1	49.5349	69.6347	41.5407	CTL2	7344	7348	7349	7350	-0.18	
-7348	H11	SLES	1	49.0729	70.2396	42.3542	HAL2	7347	0	0	0	0.09	
-7349	H11	SLES	1	50.6218	69.8776	41.5127	HAL2	7347	0	0	0	0.09	
-7350	C12	SLES	1	49.3675	68.1309	41.8795	CTL3	7347	7351	7352	7353	-0.27	
-7351	H12	SLES	1	48.8172	68.0096	42.8385	HAL3	7350	0	0	0	0.09	
-7352	H12	SLES	1	50.3628	67.6437	41.978	HAL3	7350	0	0	0	0.09	
-7353	H12	SLES	1	48.7982	67.6141	41.0764	HAL3	7350	0	0	0	0.09	
-7354	NA	SLES	1	38.7462	89.3198	34.2917	NA	0	0	0	0	1	
-7355	S	SLES	1	38.4815	86.7377	31.7201	SL	7356	7357	7358	7359	1.33	
-7356	OS1	SLES	1	39.017	86.4648	33.284	OSL	7355	7360	0	0	-0.28	
-7357	OS2	SLES	1	37.1505	87.2968	31.8358	O2L	7355	0	0	0	-0.65	
-7358	OS3	SLES	1	39.3805	87.7205	31.1522	O2L	7355	0	0	0	-0.65	
-7359	OS4	SLES	1	38.4493	85.5522	30.8786	O2L	7355	0	0	0	-0.65	
-7360	C2	SLES	1	39.161	85.0027	33.5325	CC32A	7356	7361	7362	7363	-0.11	
-7361	H2A	SLES	1	38.1956	84.466	33.3158	HCA2	7360	0	0	0	0.09	
-7362	H2B	SLES	1	39.9618	84.6018	32.8512	HCA2	7360	0	0	0	0.09	
-7363	C1	SLES	1	39.5808	84.7637	35.06	CC32A	7360	7364	7365	7366	-0.01	
-7364	H1B	SLES	1	38.8333	85.2375	35.737	HCA2	7363	0	0	0	0.09	
-7365	H1A	SLES	1	40.5804	85.2177	35.2542	HCA2	7363	0	0	0	0.09	
-7366	O1	SLES	1	39.6921	83.3918	35.5923	OC30A	7363	7367	0	0	-0.34	
-7367	C2	SLES	1	39.8103	82.3304	34.6218	CC32A	7366	7368	7369	7370	-0.01	
-7368	H2A	SLES	1	38.8628	82.4343	34.0576	HCA2	7367	0	0	0	0.09	
-7369	H2B	SLES	1	40.6497	82.6836	33.9814	HCA2	7367	0	0	0	0.09	
-7370	C1	SLES	1	40.0311	80.8308	34.9956	CC32A	7367	7371	7372	7373	-0.01	
-7371	H1B	SLES	1	39.0483	80.3218	35.1009	HCA2	7370	0	0	0	0.09	
-7372	H1A	SLES	1	40.6041	80.3329	34.1878	HCA2	7370	0	0	0	0.09	
-7373	O1	SLES	1	40.6739	80.3987	36.2377	OC30A	7370	7374	0	0	-0.34	
-7374	C1	SLES	1	41.4007	79.1187	36.1509	CTL2	7373	7375	7376	7377	-0.18	
-7375	H11	SLES	1	41.1369	78.6593	35.1811	HAL2	7374	0	0	0	0.09	
-7376	H12	SLES	1	42.4525	79.4691	36.1043	HAL2	7374	0	0	0	0.09	
-7377	C2	SLES	1	41.2429	78.0502	37.304	CTL2	7374	7378	7379	7380	-0.18	
-7378	H21	SLES	1	40.5193	78.4323	38.0585	HAL2	7377	0	0	0	0.09	
-7379	H22	SLES	1	42.2246	77.9155	37.8087	HAL2	7377	0	0	0	0.09	
-7380	C3	SLES	1	40.7311	76.6289	36.7597	CTL2	7377	7381	7382	7383	-0.18	
-7381	H31	SLES	1	39.6534	76.5124	37.0113	HAL2	7380	0	0	0	0.09	
-7382	H32	SLES	1	40.8263	76.6091	35.6557	HAL2	7380	0	0	0	0.09	
-7383	C4	SLES	1	41.5359	75.4062	37.3674	CTL2	7380	7384	7385	7386	-0.18	
-7384	H41	SLES	1	40.9244	74.9335	38.1642	HAL2	7383	0	0	0	0.09	
-7385	H42	SLES	1	42.4732	75.7809	37.832	HAL2	7383	0	0	0	0.09	
-7386	C5	SLES	1	41.9043	74.3074	36.271	CTL2	7383	7387	7388	7389	-0.18	
-7387	H51	SLES	1	41.2537	74.451	35.3802	HAL2	7386	0	0	0	0.09	
-7388	H52	SLES	1	42.9609	74.4552	35.9504	HAL2	7386	0	0	0	0.09	
-7389	C6	SLES	1	41.7302	72.8329	36.7972	CTL2	7386	7390	7391	7392	-0.18	
-7390	H61	SLES	1	40.6442	72.6057	36.8871	HAL2	7389	0	0	0	0.09	
-7391	H62	SLES	1	42.1674	72.1284	36.0515	HAL2	7389	0	0	0	0.09	
-7392	C7	SLES	1	42.4158	72.5987	38.1804	CTL2	7389	7393	7394	7395	-0.18	
-7393	H71	SLES	1	41.7461	72.9746	38.9854	HAL2	7392	0	0	0	0.09	
-7394	H72	SLES	1	43.3625	73.1822	38.2208	HAL2	7392	0	0	0	0.09	
-7395	C8	SLES	1	42.7314	71.1054	38.4448	CTL2	7392	7396	7397	7398	-0.18	
-7396	H81	SLES	1	41.8381	70.4927	38.1842	HAL2	7395	0	0	0	0.09	
-7397	H82	SLES	1	43.5706	70.7885	37.7846	HAL2	7395	0	0	0	0.09	
-7398	C9	SLES	1	43.118	70.8346	39.9204	CTL2	7395	7399	7400	7401	-0.18	
-7399	H91	SLES	1	42.2906	71.179	40.5816	HAL2	7398	0	0	0	0.09	
-7400	H92	SLES	1	44.0272	71.4258	40.1717	HAL2	7398	0	0	0	0.09	
-7401	C10	SLES	1	43.3961	69.3384	40.1987	CTL2	7398	7402	7403	7404	-0.18	
-7402	H10	SLES	1	42.4789	68.7492	39.9696	HAL2	7401	0	0	0	0.09	
-7403	H10	SLES	1	44.2082	68.9875	39.5224	HAL2	7401	0	0	0	0.09	
-7404	C11	SLES	1	43.8128	69.0751	41.6701	CTL2	7401	7405	7406	7407	-0.18	
-7405	H11	SLES	1	42.9945	69.4214	42.3422	HAL2	7404	0	0	0	0.09	
-7406	H11	SLES	1	44.7195	69.68	41.8999	HAL2	7404	0	0	0	0.09	
-7407	C12	SLES	1	44.1148	67.5855	41.9771	CTL3	7404	7408	7409	7410	-0.27	
-7408	H12	SLES	1	43.4398	67.2113	42.7781	HAL3	7407	0	0	0	0.09	
-7409	H12	SLES	1	45.1675	67.4665	42.3166	HAL3	7407	0	0	0	0.09	
-7410	H12	SLES	1	43.9637	66.9643	41.0675	HAL3	7407	0	0	0	0.09	
-7411	NA	SLES	1	28.029	85.0322	34.3861	NA	0	0	0	0	1	
-7412	S	SLES	1	29.2337	82.871	31.6976	SL	7413	7414	7415	7416	1.33	
-7413	OS1	SLES	1	29.5053	82.595	33.3277	OSL	7412	7417	0	0	-0.28	
-7414	OS2	SLES	1	27.7966	82.9254	31.5265	O2L	7412	0	0	0	-0.65	
-7415	OS3	SLES	1	29.8135	84.1654	31.406	O2L	7412	0	0	0	-0.65	
-7416	OS4	SLES	1	29.8	81.8649	30.8134	O2L	7412	0	0	0	-0.65	
-7417	C2	SLES	1	30.1126	81.2493	33.5292	CC32A	7413	7418	7419	7420	-0.11	
-7418	H2A	SLES	1	29.4695	80.45	33.0658	HCA2	7417	0	0	0	0.09	
-7419	H2B	SLES	1	31.1234	81.2359	33.035	HCA2	7417	0	0	0	0.09	
-7420	C1	SLES	1	30.2739	80.9704	35.0984	CC32A	7417	7421	7422	7423	-0.01	
-7421	H1B	SLES	1	29.2862	81.0704	35.6046	HCA2	7420	0	0	0	0.09	
-7422	H1A	SLES	1	30.9823	81.7072	35.5438	HCA2	7420	0	0	0	0.09	
-7423	O1	SLES	1	30.7618	79.6608	35.5724	OC30A	7420	7424	0	0	-0.34	
-7424	C2	SLES	1	31.4464	78.8381	34.6044	CC32A	7423	7425	7426	7427	-0.01	
-7425	H2A	SLES	1	30.6591	78.6869	33.8401	HCA2	7424	0	0	0	0.09	
-7426	H2B	SLES	1	32.2129	79.5351	34.1969	HCA2	7424	0	0	0	0.09	
-7427	C1	SLES	1	32.1119	77.4672	34.9437	CC32A	7424	7428	7429	7430	-0.01	
-7428	H1B	SLES	1	31.3783	76.646	34.7903	HCA2	7427	0	0	0	0.09	
-7429	H1A	SLES	1	32.9754	77.3027	34.2686	HCA2	7427	0	0	0	0.09	
-7430	O1	SLES	1	32.6033	77.1212	36.2785	OC30A	7427	7431	0	0	-0.34	
-7431	C1	SLES	1	33.7434	76.1864	36.3	CTL2	7430	7432	7433	7434	-0.18	
-7432	H11	SLES	1	33.8632	75.795	35.2736	HAL2	7431	0	0	0	0.09	
-7433	H12	SLES	1	34.585	76.8756	36.5186	HAL2	7431	0	0	0	0.09	
-7434	C2	SLES	1	33.7521	74.9875	37.3289	CTL2	7431	7435	7436	7437	-0.18	
-7435	H21	SLES	1	32.8036	74.9999	37.9112	HAL2	7434	0	0	0	0.09	
-7436	H22	SLES	1	34.5935	75.1292	38.0419	HAL2	7434	0	0	0	0.09	
-7437	C3	SLES	1	33.9065	73.5603	36.6092	CTL2	7434	7438	7439	7440	-0.18	
-7438	H31	SLES	1	32.9158	73.0536	36.5954	HAL2	7437	0	0	0	0.09	
-7439	H32	SLES	1	34.2223	73.7178	35.5586	HAL2	7437	0	0	0	0.09	
-7440	C4	SLES	1	34.9574	72.6151	37.3262	CTL2	7437	7441	7442	7443	-0.18	
-7441	H41	SLES	1	34.4101	71.8638	37.933	HAL2	7440	0	0	0	0.09	
-7442	H42	SLES	1	35.5832	73.2218	38.0156	HAL2	7440	0	0	0	0.09	
-7443	C5	SLES	1	35.9088	71.8588	36.2927	CTL2	7440	7444	7445	7446	-0.18	
-7444	H51	SLES	1	35.4434	71.8877	35.2828	HAL2	7443	0	0	0	0.09	
-7445	H52	SLES	1	36.8828	72.3966	36.2362	HAL2	7443	0	0	0	0.09	
-7446	C6	SLES	1	36.1747	70.3576	36.6887	CTL2	7443	7447	7448	7449	-0.18	
-7447	H61	SLES	1	35.2489	69.7659	36.5104	HAL2	7446	0	0	0	0.09	
-7448	H62	SLES	1	36.9764	69.9464	36.0317	HAL2	7446	0	0	0	0.09	
-7449	C7	SLES	1	36.6055	70.1921	38.1804	CTL2	7446	7450	7451	7452	-0.18	
-7450	H71	SLES	1	35.6983	70.2105	38.8242	HAL2	7449	0	0	0	0.09	
-7451	H72	SLES	1	37.2501	71.0515	38.4706	HAL2	7449	0	0	0	0.09	
-7452	C8	SLES	1	37.3771	68.8735	38.4359	CTL2	7449	7453	7454	7455	-0.18	
-7453	H81	SLES	1	36.836	68.0335	37.943	HAL2	7452	0	0	0	0.09	
-7454	H82	SLES	1	38.3885	68.9486	37.9755	HAL2	7452	0	0	0	0.09	
-7455	C9	SLES	1	37.5301	68.5604	39.9456	CTL2	7452	7456	7457	7458	-0.18	
-7456	H91	SLES	1	36.5194	68.5147	40.4111	HAL2	7455	0	0	0	0.09	
-7457	H92	SLES	1	38.0953	69.387	40.4321	HAL2	7455	0	0	0	0.09	
-7458	C10	SLES	1	38.2658	67.2245	40.2057	CTL2	7455	7459	7460	7461	-0.18	
-7459	H10	SLES	1	37.6881	66.3943	39.7389	HAL2	7458	0	0	0	0.09	
-7460	H10	SLES	1	39.2679	67.261	39.7216	HAL2	7458	0	0	0	0.09	
-7461	C11	SLES	1	38.4443	66.9292	41.7186	CTL2	7458	7462	7463	7464	-0.18	
-7462	H11	SLES	1	37.439	66.887	42.197	HAL2	7461	0	0	0	0.09	
-7463	H11	SLES	1	39.0066	67.7706	42.1843	HAL2	7461	0	0	0	0.09	
-7464	C12	SLES	1	39.1936	65.6039	42.0125	CTL3	7461	7465	7466	7467	-0.27	
-7465	H12	SLES	1	38.5521	64.9222	42.6134	HAL3	7464	0	0	0	0.09	
-7466	H12	SLES	1	40.1272	65.806	42.5826	HAL3	7464	0	0	0	0.09	
-7467	H12	SLES	1	39.4622	65.0922	41.0628	HAL3	7464	0	0	0	0.09	
-7468	NA	SLES	1	18.9277	77.9241	34.3196	NA	0	0	0	0	1	
-7469	S	SLES	1	21.2505	76.8061	31.7301	SL	7470	7471	7472	7473	1.33	
-7470	OS1	SLES	1	21.3383	76.3524	33.3406	OSL	7469	7474	0	0	-0.28	
-7471	OS2	SLES	1	19.9394	76.4049	31.2637	O2L	7469	0	0	0	-0.65	
-7472	OS3	SLES	1	21.3589	78.2499	31.7118	O2L	7469	0	0	0	-0.65	
-7473	OS4	SLES	1	22.2778	76.2222	30.8826	O2L	7469	0	0	0	-0.65	
-7474	C2	SLES	1	22.3524	75.2752	33.5188	CC32A	7470	7475	7476	7477	-0.11	
-7475	H2A	SLES	1	22.1272	74.4024	32.8446	HCA2	7474	0	0	0	0.09	
-7476	H2B	SLES	1	23.3642	75.6896	33.2529	HCA2	7474	0	0	0	0.09	
-7477	C1	SLES	1	22.3498	74.7926	35.0463	CC32A	7474	7478	7479	7480	-0.01	
-7478	H1B	SLES	1	21.3259	74.464	35.3382	HCA2	7477	0	0	0	0.09	
-7479	H1A	SLES	1	22.6606	75.6327	35.7102	HCA2	7477	0	0	0	0.09	
-7480	O1	SLES	1	23.1974	73.6604	35.4676	OC30A	7477	7481	0	0	-0.34	
-7481	C2	SLES	1	24.2801	73.3008	34.5839	CC32A	7480	7482	7483	7484	-0.01	
-7482	H2A	SLES	1	23.7354	73.0327	33.6575	HCA2	7481	0	0	0	0.09	
-7483	H2B	SLES	1	24.7956	74.2751	34.4276	HCA2	7481	0	0	0	0.09	
-7484	C1	SLES	1	25.3346	72.1954	34.9055	CC32A	7481	7485	7486	7487	-0.01	
-7485	H1B	SLES	1	24.9846	71.2169	34.5107	HCA2	7484	0	0	0	0.09	
-7486	H1A	SLES	1	26.2953	72.4527	34.4161	HCA2	7484	0	0	0	0.09	
-7487	O1	SLES	1	25.697	71.803	36.2684	OC30A	7484	7488	0	0	-0.34	
-7488	C1	SLES	1	27.0796	71.3167	36.4302	CTL2	7487	7489	7490	7491	-0.18	
-7489	H11	SLES	1	27.4966	71.1771	35.4165	HAL2	7488	0	0	0	0.09	
-7490	H12	SLES	1	27.5663	72.1979	36.8971	HAL2	7488	0	0	0	0.09	
-7491	C2	SLES	1	27.3581	70.0277	37.3003	CTL2	7488	7492	7493	7494	-0.18	
-7492	H21	SLES	1	26.3898	69.6177	37.6649	HAL2	7491	0	0	0	0.09	
-7493	H22	SLES	1	27.9643	70.3144	38.1874	HAL2	7491	0	0	0	0.09	
-7494	C3	SLES	1	28.1341	68.8869	36.4787	CTL2	7491	7495	7496	7497	-0.18	
-7495	H31	SLES	1	27.4114	68.0883	36.1989	HAL2	7494	0	0	0	0.09	
-7496	H32	SLES	1	28.5354	69.3251	35.5432	HAL2	7494	0	0	0	0.09	
-7497	C4	SLES	1	29.327	68.2375	37.2956	CTL2	7494	7498	7499	7500	-0.18	
-7498	H41	SLES	1	29.0004	67.2511	37.6861	HAL2	7497	0	0	0	0.09	
-7499	H42	SLES	1	29.57	68.8862	38.1645	HAL2	7497	0	0	0	0.09	
-7500	C5	SLES	1	30.6408	68.0404	36.4124	CTL2	7497	7501	7502	7503	-0.18	
-7501	H51	SLES	1	30.3655	68.0905	35.3358	HAL2	7500	0	0	0	0.09	
-7502	H52	SLES	1	31.3482	68.8747	36.6238	HAL2	7500	0	0	0	0.09	
-7503	C6	SLES	1	31.367	66.6704	36.6898	CTL2	7500	7504	7505	7506	-0.18	
-7504	H61	SLES	1	30.7611	65.8441	36.2547	HAL2	7503	0	0	0	0.09	
-7505	H62	SLES	1	32.3576	66.6756	36.1778	HAL2	7503	0	0	0	0.09	
-7506	C7	SLES	1	31.583	66.3968	38.2118	CTL2	7503	7507	7508	7509	-0.18	
-7507	H71	SLES	1	30.6404	65.9953	38.6455	HAL2	7506	0	0	0	0.09	
-7508	H72	SLES	1	31.8155	67.3566	38.7247	HAL2	7506	0	0	0	0.09	
-7509	C8	SLES	1	32.7293	65.3903	38.4804	CTL2	7506	7510	7511	7512	-0.18	
-7510	H81	SLES	1	32.6172	64.5192	37.7949	HAL2	7509	0	0	0	0.09	
-7511	H82	SLES	1	33.704	65.8808	38.2571	HAL2	7509	0	0	0	0.09	
-7512	C9	SLES	1	32.7411	64.8838	39.9446	CTL2	7509	7513	7514	7515	-0.18	
-7513	H91	SLES	1	31.7554	64.4199	40.1762	HAL2	7512	0	0	0	0.09	
-7514	H92	SLES	1	32.8811	65.7517	40.6276	HAL2	7512	0	0	0	0.09	
-7515	C10	SLES	1	33.86	63.8484	40.2082	CTL2	7512	7516	7517	7518	-0.18	
-7516	H10	SLES	1	33.7065	62.9695	39.5412	HAL2	7515	0	0	0	0.09	
-7517	H10	SLES	1	34.844	64.3042	39.9556	HAL2	7515	0	0	0	0.09	
-7518	C11	SLES	1	33.8882	63.3664	41.6828	CTL2	7515	7519	7520	7521	-0.18	
-7519	H11	SLES	1	32.9043	62.9052	41.9285	HAL2	7518	0	0	0	0.09	
-7520	H11	SLES	1	34.0237	64.2507	42.3467	HAL2	7518	0	0	0	0.09	
-7521	C12	SLES	1	35.0103	62.3393	41.9833	CTL3	7518	7522	7523	7524	-0.27	
-7522	H12	SLES	1	34.573	61.3868	42.3556	HAL3	7521	0	0	0	0.09	
-7523	H12	SLES	1	35.7021	62.7382	42.7578	HAL3	7521	0	0	0	0.09	
-7524	H12	SLES	1	35.5954	62.1247	41.0626	HAL3	7521	0	0	0	0.09	
-7525	NA	SLES	1	12.1948	68.6063	34.0966	NA	0	0	0	0	1	
-7526	S	SLES	1	15.0328	68.9112	31.8155	SL	7527	7528	7529	7530	1.33	
-7527	OS1	SLES	1	15.1032	68.1811	33.3219	OSL	7526	7531	0	0	-0.28	
-7528	OS2	SLES	1	14.0165	68.2027	31.0654	O2L	7526	0	0	0	-0.65	
-7529	OS3	SLES	1	14.6102	70.2764	32.0489	O2L	7526	0	0	0	-0.65	
-7530	OS4	SLES	1	16.2879	68.9005	31.0814	O2L	7526	0	0	0	-0.65	
-7531	C2	SLES	1	16.4135	67.4948	33.502	CC32A	7527	7532	7533	7534	-0.11	
-7532	H2A	SLES	1	16.5959	66.7619	32.6673	HCA2	7531	0	0	0	0.09	
-7533	H2B	SLES	1	17.2279	68.271	33.4901	HCA2	7531	0	0	0	0.09	
-7534	C1	SLES	1	16.4198	66.7254	34.9072	CC32A	7531	7535	7536	7537	-0.01	
-7535	H1B	SLES	1	15.5601	66.0182	34.956	HCA2	7534	0	0	0	0.09	
-7536	H1A	SLES	1	16.3295	67.4592	35.7419	HCA2	7534	0	0	0	0.09	
-7537	O1	SLES	1	17.5696	65.881	35.285	OC30A	7534	7538	0	0	-0.34	
-7538	C2	SLES	1	18.7985	66.1024	34.5615	CC32A	7537	7539	7540	7541	-0.01	
-7539	H2A	SLES	1	18.493	65.8711	33.5223	HCA2	7538	0	0	0	0.09	
-7540	H2B	SLES	1	18.9383	67.2027	34.6578	HCA2	7538	0	0	0	0.09	
-7541	C1	SLES	1	20.1407	65.3732	34.8836	CC32A	7538	7542	7543	7544	-0.01	
-7542	H1B	SLES	1	20.2157	64.442	34.2809	HCA2	7541	0	0	0	0.09	
-7543	H1A	SLES	1	20.9894	66.0358	34.6203	HCA2	7541	0	0	0	0.09	
-7544	O1	SLES	1	20.4699	64.8442	36.2082	OC30A	7541	7545	0	0	-0.34	
-7545	C1	SLES	1	21.9081	64.8272	36.5328	CTL2	7544	7546	7547	7548	-0.18	
-7546	H11	SLES	1	22.4554	65.0549	35.6002	HAL2	7545	0	0	0	0.09	
-7547	H12	SLES	1	21.9872	65.6995	37.214	HAL2	7545	0	0	0	0.09	
-7548	C2	SLES	1	22.5395	63.5522	37.2201	CTL2	7545	7549	7550	7551	-0.18	
-7549	H21	SLES	1	21.7528	62.7735	37.3362	HAL2	7548	0	0	0	0.09	
-7550	H22	SLES	1	22.8993	63.8297	38.235	HAL2	7548	0	0	0	0.09	
-7551	C3	SLES	1	23.7617	62.9408	36.377	CTL2	7548	7552	7553	7554	-0.18	
-7552	H31	SLES	1	23.4139	62.0252	35.8487	HAL2	7551	0	0	0	0.09	
-7553	H32	SLES	1	24.0758	63.6768	35.6103	HAL2	7551	0	0	0	0.09	
-7554	C4	SLES	1	25.0122	62.5708	37.2777	CTL2	7551	7555	7556	7557	-0.18	
-7555	H41	SLES	1	25.026	61.4729	37.4405	HAL2	7554	0	0	0	0.09	
-7556	H42	SLES	1	24.9065	63.0625	38.2687	HAL2	7554	0	0	0	0.09	
-7557	C5	SLES	1	26.3958	63.0189	36.6219	CTL2	7554	7558	7559	7560	-0.18	
-7558	H51	SLES	1	26.2403	63.2018	35.5358	HAL2	7557	0	0	0	0.09	
-7559	H52	SLES	1	26.724	63.9766	37.0867	HAL2	7557	0	0	0	0.09	
-7560	C6	SLES	1	27.5353	61.946	36.8002	CTL2	7557	7561	7562	7563	-0.18	
-7561	H61	SLES	1	27.3226	61.0773	36.1375	HAL2	7560	0	0	0	0.09	
-7562	H62	SLES	1	28.5058	62.3922	36.4799	HAL2	7560	0	0	0	0.09	
-7563	C7	SLES	1	27.6685	61.4431	38.2724	CTL2	7560	7564	7565	7566	-0.18	
-7564	H71	SLES	1	26.895	60.6661	38.4616	HAL2	7563	0	0	0	0.09	
-7565	H72	SLES	1	27.4788	62.2925	38.9658	HAL2	7563	0	0	0	0.09	
-7566	C8	SLES	1	29.0656	60.8466	38.5752	CTL2	7563	7567	7568	7569	-0.18	
-7567	H81	SLES	1	29.3533	60.1558	37.7498	HAL2	7566	0	0	0	0.09	
-7568	H82	SLES	1	29.8135	61.6712	38.6103	HAL2	7566	0	0	0	0.09	
-7569	C9	SLES	1	29.1008	60.0738	39.9176	CTL2	7566	7570	7571	7572	-0.18	
-7570	H91	SLES	1	28.3322	59.2681	39.8929	HAL2	7569	0	0	0	0.09	
-7571	H92	SLES	1	28.8404	60.7717	40.745	HAL2	7569	0	0	0	0.09	
-7572	C10	SLES	1	30.4836	59.4427	40.2059	CTL2	7569	7573	7574	7575	-0.18	
-7573	H10	SLES	1	30.7339	58.7269	39.39	HAL2	7572	0	0	0	0.09	
-7574	H10	SLES	1	31.2559	60.2449	40.2087	HAL2	7572	0	0	0	0.09	
-7575	C11	SLES	1	30.524	58.6957	41.5653	CTL2	7572	7576	7577	7578	-0.18	
-7576	H11	SLES	1	29.7545	57.8901	41.555	HAL2	7575	0	0	0	0.09	
-7577	H11	SLES	1	30.2555	59.4111	42.3759	HAL2	7575	0	0	0	0.09	
-7578	C12	SLES	1	31.9027	58.0655	41.8914	CTL3	7575	7579	7580	7581	-0.27	
-7579	H12	SLES	1	31.8037	56.9653	42.0223	HAL3	7578	0	0	0	0.09	
-7580	H12	SLES	1	32.3133	58.4984	42.8303	HAL3	7578	0	0	0	0.09	
-7581	H12	SLES	1	32.6225	58.2609	41.0669	HAL3	7578	0	0	0	0.09	
-7582	NA	SLES	1	8.3404	57.8891	33.7325	NA	0	0	0	0	1	
-7583	S	SLES	1	10.9895	59.6634	31.948	SL	7584	7585	7586	7587	1.33	
-7584	OS1	SLES	1	11.242	58.6694	33.2729	OSL	7583	7588	0	0	-0.28	
-7585	OS2	SLES	1	10.3352	58.8488	30.9451	O2L	7583	0	0	0	-0.65	
-7586	OS3	SLES	1	10.093	60.7093	32.3941	O2L	7583	0	0	0	-0.65	
-7587	OS4	SLES	1	12.1996	60.2512	31.3962	O2L	7583	0	0	0	-0.65	
-7588	C2	SLES	1	12.7006	58.4463	33.4801	CC32A	7584	7589	7590	7591	-0.11	
-7589	H2A	SLES	1	13.1762	58.0358	32.5461	HCA2	7588	0	0	0	0.09	
-7590	H2B	SLES	1	13.1809	59.4326	33.7305	HCA2	7588	0	0	0	0.09	
-7591	C1	SLES	1	12.9126	57.4185	34.6906	CC32A	7588	7592	7593	7594	-0.01	
-7592	H1B	SLES	1	12.3636	56.4712	34.484	HCA2	7591	0	0	0	0.09	
-7593	H1A	SLES	1	12.5227	57.8611	35.6367	HCA2	7591	0	0	0	0.09	
-7594	O1	SLES	1	14.2687	56.9507	35.0371	OC30A	7591	7595	0	0	-0.34	
-7595	C2	SLES	1	15.3704	57.7386	34.5389	CC32A	7594	7596	7597	7598	-0.01	
-7596	H2A	SLES	1	15.2212	57.6674	33.4437	HCA2	7595	0	0	0	0.09	
-7597	H2B	SLES	1	15.1	58.766	34.8717	HCA2	7595	0	0	0	0.09	
-7598	C1	SLES	1	16.8671	57.454	34.8795	CC32A	7595	7599	7600	7601	-0.01	
-7599	H1B	SLES	1	17.3022	56.772	34.1169	HCA2	7598	0	0	0	0.09	
-7600	H1A	SLES	1	17.4327	58.4072	34.8674	HCA2	7598	0	0	0	0.09	
-7601	O1	SLES	1	17.2975	56.7736	36.102	OC30A	7598	7602	0	0	-0.34	
-7602	C1	SLES	1	18.6273	57.1698	36.6007	CTL2	7601	7603	7604	7605	-0.18	
-7603	H11	SLES	1	19.1022	57.7812	35.8122	HAL2	7602	0	0	0	0.09	
-7604	H12	SLES	1	18.353	57.832	37.4477	HAL2	7602	0	0	0	0.09	
-7605	C2	SLES	1	19.6396	56.0614	37.0937	CTL2	7602	7606	7607	7608	-0.18	
-7606	H21	SLES	1	19.181	55.0579	36.9477	HAL2	7605	0	0	0	0.09	
-7607	H22	SLES	1	19.8241	56.1986	38.1817	HAL2	7605	0	0	0	0.09	
-7608	C3	SLES	1	21.0407	56.1162	36.3111	CTL2	7605	7609	7610	7611	-0.18	
-7609	H31	SLES	1	21.0725	55.2876	35.5689	HAL2	7608	0	0	0	0.09	
-7610	H32	SLES	1	21.1071	57.0728	35.7555	HAL2	7608	0	0	0	0.09	
-7611	C4	SLES	1	22.2937	55.9923	37.2738	CTL2	7608	7612	7613	7614	-0.18	
-7612	H41	SLES	1	22.6933	54.9585	37.2128	HAL2	7611	0	0	0	0.09	
-7613	H42	SLES	1	21.9685	56.1725	38.321	HAL2	7611	0	0	0	0.09	
-7614	C5	SLES	1	23.4545	57.0233	36.907	CTL2	7611	7615	7616	7617	-0.18	
-7615	H51	SLES	1	23.2984	57.3916	35.869	HAL2	7614	0	0	0	0.09	
-7616	H52	SLES	1	23.3924	57.8984	37.5935	HAL2	7614	0	0	0	0.09	
-7617	C6	SLES	1	24.8932	56.3906	37.0125	CTL2	7614	7618	7619	7620	-0.18	
-7618	H61	SLES	1	25.0408	55.682	36.1668	HAL2	7617	0	0	0	0.09	
-7619	H62	SLES	1	25.6531	57.2012	36.9173	HAL2	7617	0	0	0	0.09	
-7620	C7	SLES	1	25.1242	55.6329	38.3581	CTL2	7617	7621	7622	7623	-0.18	
-7621	H71	SLES	1	24.6736	54.6183	38.285	HAL2	7620	0	0	0	0.09	
-7622	H72	SLES	1	24.607	56.1802	39.1774	HAL2	7620	0	0	0	0.09	
-7623	C8	SLES	1	26.6253	55.4923	38.7137	CTL2	7620	7624	7625	7626	-0.18	
-7624	H81	SLES	1	27.1833	55.1537	37.8109	HAL2	7623	0	0	0	0.09	
-7625	H82	SLES	1	27.0237	56.4891	39.0108	HAL2	7623	0	0	0	0.09	
-7626	C9	SLES	1	26.8686	54.4859	39.8663	CTL2	7623	7627	7628	7629	-0.18	
-7627	H91	SLES	1	26.4436	53.4969	39.5804	HAL2	7626	0	0	0	0.09	
-7628	H92	SLES	1	26.3334	54.8397	40.7761	HAL2	7626	0	0	0	0.09	
-7629	C10	SLES	1	28.3695	54.3124	40.1991	CTL2	7626	7630	7631	7632	-0.18	
-7630	H10	SLES	1	28.9012	53.936	39.2955	HAL2	7629	0	0	0	0.09	
-7631	H10	SLES	1	28.8003	55.3046	40.4635	HAL2	7629	0	0	0	0.09	
-7632	C11	SLES	1	28.6075	53.3272	41.374	CTL2	7629	7633	7634	7635	-0.18	
-7633	H11	SLES	1	28.1809	52.3346	41.102	HAL2	7632	0	0	0	0.09	
-7634	H11	SLES	1	28.0592	53.6982	42.27	HAL2	7632	0	0	0	0.09	
-7635	C12	SLES	1	30.1024	53.1442	41.7432	CTL3	7632	7636	7637	7638	-0.27	
-7636	H12	SLES	1	30.3993	52.0776	41.6361	HAL3	7635	0	0	0	0.09	
-7637	H12	SLES	1	30.282	53.4582	42.7952	HAL3	7635	0	0	0	0.09	
-7638	H12	SLES	1	30.7441	53.7594	41.0755	HAL3	7635	0	0	0	0.09	
-7639	NA	SLES	1	7.58387	46.6805	33.252	NA	0	0	0	0	1	
-7640	S	SLES	1	9.41381	49.6329	32.1184	SL	7641	7642	7643	7644	1.33	
-7641	OS1	SLES	1	10.0171	48.5015	33.1969	OSL	7640	7645	0	0	-0.28	
-7642	OS2	SLES	1	9.07741	48.9074	30.911	O2L	7640	0	0	0	-0.65	
-7643	OS3	SLES	1	8.21114	50.1654	32.724	O2L	7640	0	0	0	-0.65	
-7644	OS4	SLES	1	10.3316	50.7166	31.8056	O2L	7640	0	0	0	-0.65	
-7645	C2	SLES	1	11.4629	48.7537	33.4545	CC32A	7641	7646	7647	7648	-0.11	
-7646	H2A	SLES	1	12.0415	48.769	32.4891	HCA2	7645	0	0	0	0.09	
-7647	H2B	SLES	1	11.5668	49.7548	33.9577	HCA2	7645	0	0	0	0.09	
-7648	C1	SLES	1	12.0388	47.605	34.4112	CC32A	7645	7649	7650	7651	-0.01	
-7649	H1B	SLES	1	11.8573	46.605	33.9544	HCA2	7648	0	0	0	0.09	
-7650	H1A	SLES	1	11.5291	47.6455	35.402	HCA2	7648	0	0	0	0.09	
-7651	O1	SLES	1	13.4768	47.5663	34.7407	OC30A	7648	7652	0	0	-0.34	
-7652	C2	SLES	1	14.2231	48.7812	34.5175	CC32A	7651	7653	7654	7655	-0.01	
-7653	H2A	SLES	1	14.0955	48.927	33.427	HCA2	7652	0	0	0	0.09	
-7654	H2B	SLES	1	13.6113	49.5404	35.0549	HCA2	7652	0	0	0	0.09	
-7655	C1	SLES	1	15.7279	48.9589	34.8934	CC32A	7652	7656	7657	7658	-0.01	
-7656	H1B	SLES	1	16.3666	48.6728	34.0296	HCA2	7655	0	0	0	0.09	
-7657	H1A	SLES	1	15.9202	50.0222	35.1405	HCA2	7655	0	0	0	0.09	
-7658	O1	SLES	1	16.3856	48.198	35.957	OC30A	7655	7659	0	0	-0.34	
-7659	C1	SLES	1	17.4956	48.898	36.6292	CTL2	7658	7660	7661	7662	-0.18	
-7660	H11	SLES	1	17.7143	49.8054	36.0379	HAL2	7659	0	0	0	0.09	
-7661	H12	SLES	1	17.0153	49.2014	37.5823	HAL2	7659	0	0	0	0.09	
-7662	C2	SLES	1	18.84	48.1243	36.9298	CTL2	7659	7663	7664	7665	-0.18	
-7663	H21	SLES	1	18.7636	47.0901	36.5256	HAL2	7662	0	0	0	0.09	
-7664	H22	SLES	1	18.9772	48.0523	38.0309	HAL2	7662	0	0	0	0.09	
-7665	C3	SLES	1	20.1219	48.8454	36.2854	CTL2	7662	7666	7667	7668	-0.18	
-7666	H31	SLES	1	20.4354	48.2821	35.3783	HAL2	7665	0	0	0	0.09	
-7667	H32	SLES	1	19.8395	49.8692	35.9688	HAL2	7665	0	0	0	0.09	
-7668	C4	SLES	1	21.3493	48.9359	37.284	CTL2	7665	7669	7670	7671	-0.18	
-7669	H41	SLES	1	22.0876	48.1506	37.0187	HAL2	7668	0	0	0	0.09	
-7670	H42	SLES	1	20.9941	48.7366	38.318	HAL2	7668	0	0	0	0.09	
-7671	C5	SLES	1	22.0667	50.3604	37.2482	CTL2	7668	7672	7673	7674	-0.18	
-7672	H51	SLES	1	21.7781	50.8888	36.3128	HAL2	7671	0	0	0	0.09	
-7673	H52	SLES	1	21.7078	50.9688	38.1095	HAL2	7671	0	0	0	0.09	
-7674	C6	SLES	1	23.6373	50.2583	37.3122	CTL2	7671	7675	7676	7677	-0.18	
-7675	H61	SLES	1	24.0155	49.8686	36.3405	HAL2	7674	0	0	0	0.09	
-7676	H62	SLES	1	24.0607	51.2793	37.4604	HAL2	7674	0	0	0	0.09	
-7677	C7	SLES	1	24.1373	49.3289	38.463	CTL2	7674	7678	7679	7680	-0.18	
-7678	H71	SLES	1	24.0732	48.27	38.1278	HAL2	7677	0	0	0	0.09	
-7679	H72	SLES	1	23.47	49.4508	39.3452	HAL2	7677	0	0	0	0.09	
-7680	C8	SLES	1	25.5954	49.6352	38.8867	CTL2	7677	7681	7682	7683	-0.18	
-7681	H81	SLES	1	26.2262	49.7367	37.9739	HAL2	7680	0	0	0	0.09	
-7682	H82	SLES	1	25.6196	50.6064	39.4315	HAL2	7680	0	0	0	0.09	
-7683	C9	SLES	1	26.1924	48.5305	39.7943	CTL2	7680	7684	7685	7686	-0.18	
-7684	H91	SLES	1	26.1406	47.5546	39.2601	HAL2	7683	0	0	0	0.09	
-7685	H92	SLES	1	25.5777	48.449	40.7188	HAL2	7683	0	0	0	0.09	
-7686	C10	SLES	1	27.6617	48.8123	40.1882	CTL2	7683	7687	7688	7689	-0.18	
-7687	H10	SLES	1	28.2811	48.8706	39.2643	HAL2	7686	0	0	0	0.09	
-7688	H10	SLES	1	27.7175	49.7983	40.7027	HAL2	7686	0	0	0	0.09	
-7689	C11	SLES	1	28.2465	47.7197	41.122	CTL2	7686	7690	7691	7692	-0.18	
-7690	H11	SLES	1	28.1947	46.7366	40.6004	HAL2	7689	0	0	0	0.09	
-7691	H11	SLES	1	27.6133	47.6526	42.0361	HAL2	7689	0	0	0	0.09	
-7692	C12	SLES	1	29.714	47.9822	41.5486	CTL3	7689	7693	7694	7695	-0.27	
-7693	H12	SLES	1	30.3671	47.1425	41.2235	HAL3	7692	0	0	0	0.09	
-7694	H12	SLES	1	29.7837	48.0775	42.6548	HAL3	7692	0	0	0	0.09	
-7695	H12	SLES	1	30.089	48.9218	41.0877	HAL3	7692	0	0	0	0.09	
-7696	NA	SLES	1	9.8505	35.8766	32.6879	NA	0	0	0	0	1	
-7697	S	SLES	1	10.4585	39.4602	32.3153	SL	7698	7699	7700	7701	1.33	
-7698	OS1	SLES	1	11.4932	38.4009	33.0992	OSL	7697	7702	0	0	-0.28	
-7699	OS2	SLES	1	10.3058	38.9581	30.9654	O2L	7697	0	0	0	-0.65	
-7700	OS3	SLES	1	9.19385	39.3806	33.0161	O2L	7697	0	0	0	-0.65	
-7701	OS4	SLES	1	10.9195	40.8389	32.2817	O2L	7697	0	0	0	-0.65	
-7702	C2	SLES	1	12.7775	39.0817	33.427	CC32A	7698	7703	7704	7705	-0.11	
-7703	H2A	SLES	1	13.2425	39.5199	32.5002	HCA2	7702	0	0	0	0.09	
-7704	H2B	SLES	1	12.5656	39.9121	34.1561	HCA2	7702	0	0	0	0.09	
-7705	C1	SLES	1	13.7836	38.0248	34.0881	CC32A	7702	7706	7707	7708	-0.01	
-7706	H1B	SLES	1	13.9259	37.1574	33.4033	HCA2	7705	0	0	0	0.09	
-7707	H1A	SLES	1	13.3657	37.6558	35.0536	HCA2	7705	0	0	0	0.09	
-7708	O1	SLES	1	15.1664	38.4226	34.4161	OC30A	7705	7709	0	0	-0.34	
-7709	C2	SLES	1	15.4282	39.8393	34.4989	CC32A	7708	7710	7711	7712	-0.01	
-7710	H2A	SLES	1	15.1782	40.175	33.4734	HCA2	7709	0	0	0	0.09	
-7711	H2B	SLES	1	14.633	40.1897	35.1948	HCA2	7709	0	0	0	0.09	
-7712	C1	SLES	1	16.8021	40.4464	34.9245	CC32A	7709	7713	7714	7715	-0.01	
-7713	H1B	SLES	1	17.435	40.6092	34.025	HCA2	7712	0	0	0	0.09	
-7714	H1A	SLES	1	16.6326	41.4228	35.4209	HCA2	7712	0	0	0	0.09	
-7715	O1	SLES	1	17.7586	39.7459	35.7831	OC30A	7712	7716	0	0	-0.34	
-7716	C1	SLES	1	18.6044	40.62	36.6165	CTL2	7715	7717	7718	7719	-0.18	
-7717	H11	SLES	1	18.4519	41.6554	36.262	HAL2	7716	0	0	0	0.09	
-7718	H12	SLES	1	18.1203	40.5085	37.6087	HAL2	7716	0	0	0	0.09	
-7719	C2	SLES	1	20.1516	40.3243	36.7395	CTL2	7716	7720	7721	7722	-0.18	
-7720	H21	SLES	1	20.408	39.451	36.0989	HAL2	7719	0	0	0	0.09	
-7721	H22	SLES	1	20.3858	40.0566	37.7931	HAL2	7719	0	0	0	0.09	
-7722	C3	SLES	1	21.0542	41.5782	36.3017	CTL2	7719	7723	7724	7725	-0.18	
-7723	H31	SLES	1	21.4755	41.3844	35.2901	HAL2	7722	0	0	0	0.09	
-7724	H32	SLES	1	20.4128	42.4796	36.2358	HAL2	7722	0	0	0	0.09	
-7725	C4	SLES	1	22.2445	41.8663	37.3078	CTL2	7722	7726	7727	7728	-0.18	
-7726	H41	SLES	1	23.1871	41.4749	36.8713	HAL2	7725	0	0	0	0.09	
-7727	H42	SLES	1	22.0572	41.3244	38.2597	HAL2	7725	0	0	0	0.09	
-7728	C5	SLES	1	22.4206	43.4204	37.6222	CTL2	7725	7729	7730	7731	-0.18	
-7729	H51	SLES	1	21.8992	44.0111	36.8369	HAL2	7728	0	0	0	0.09	
-7730	H52	SLES	1	21.9378	43.6495	38.5997	HAL2	7728	0	0	0	0.09	
-7731	C6	SLES	1	23.9298	43.868	37.6789	CTL2	7728	7732	7733	7734	-0.18	
-7732	H61	SLES	1	24.3468	43.8693	36.6468	HAL2	7731	0	0	0	0.09	
-7733	H62	SLES	1	23.9838	44.9101	38.072	HAL2	7731	0	0	0	0.09	
-7734	C7	SLES	1	24.8034	42.939	38.58	CTL2	7731	7735	7736	7737	-0.18	
-7735	H71	SLES	1	25.0848	42.0319	38.0005	HAL2	7734	0	0	0	0.09	
-7736	H72	SLES	1	24.2019	42.6129	39.4577	HAL2	7734	0	0	0	0.09	
-7737	C8	SLES	1	26.0927	43.6354	39.0822	CTL2	7734	7738	7739	7740	-0.18	
-7738	H81	SLES	1	26.5806	44.1583	38.2278	HAL2	7737	0	0	0	0.09	
-7739	H82	SLES	1	25.8197	44.401	39.8437	HAL2	7737	0	0	0	0.09	
-7740	C9	SLES	1	27.0997	42.6371	39.7064	CTL2	7737	7741	7742	7743	-0.18	
-7741	H91	SLES	1	27.3494	41.855	38.9538	HAL2	7740	0	0	0	0.09	
-7742	H92	SLES	1	26.6208	42.1354	40.5772	HAL2	7740	0	0	0	0.09	
-7743	C10	SLES	1	28.4058	43.322	40.174	CTL2	7740	7744	7745	7746	-0.18	
-7744	H10	SLES	1	28.8972	43.8042	39.2983	HAL2	7743	0	0	0	0.09	
-7745	H10	SLES	1	28.155	44.1191	40.9099	HAL2	7743	0	0	0	0.09	
-7746	C11	SLES	1	29.3992	42.3243	40.8264	CTL2	7743	7747	7748	7749	-0.18	
-7747	H11	SLES	1	29.6522	41.5329	40.0842	HAL2	7746	0	0	0	0.09	
-7748	H11	SLES	1	28.8973	41.8315	41.6902	HAL2	7746	0	0	0	0.09	
-7749	C12	SLES	1	30.7126	42.9836	41.321	CTL3	7746	7750	7751	7752	-0.27	
-7750	H12	SLES	1	31.59	42.5265	40.8125	HAL3	7749	0	0	0	0.09	
-7751	H12	SLES	1	30.8263	42.8428	42.4187	HAL3	7749	0	0	0	0.09	
-7752	H12	SLES	1	30.7047	44.0737	41.1028	HAL3	7749	0	0	0	0.09	
-7753	NA	SLES	1	14.8104	26.2649	32.0786	NA	0	0	0	0	1	
-7754	S	SLES	1	14.113	29.8236	32.5251	SL	7755	7756	7757	7758	1.33	
-7755	OS1	SLES	1	15.5382	29.0731	32.9862	OSL	7754	7759	0	0	-0.28	
-7756	OS2	SLES	1	13.9656	29.5827	31.1047	O2L	7754	0	0	0	-0.65	
-7757	OS3	SLES	1	13.0529	29.1553	33.2504	O2L	7754	0	0	0	-0.65	
-7758	OS4	SLES	1	14.0706	31.2525	32.7921	O2L	7754	0	0	0	-0.65	
-7759	C2	SLES	1	16.5466	30.0895	33.3994	CC32A	7755	7760	7761	7762	-0.11	
-7760	H2A	SLES	1	16.7107	30.8424	32.5788	HCA2	7759	0	0	0	0.09	
-7761	H2B	SLES	1	16.1623	30.6233	34.3123	HCA2	7759	0	0	0	0.09	
-7762	C1	SLES	1	17.9284	29.3555	33.7433	CC32A	7759	7763	7764	7765	-0.01	
-7763	H1B	SLES	1	18.2661	28.7541	32.8682	HCA2	7762	0	0	0	0.09	
-7764	H1A	SLES	1	17.7896	28.6748	34.6153	HCA2	7762	0	0	0	0.09	
-7765	O1	SLES	1	19.1245	30.1494	34.0853	OC30A	7762	7766	0	0	-0.34	
-7766	C2	SLES	1	18.8986	31.5178	34.4842	CC32A	7765	7767	7768	7769	-0.01	
-7767	H2A	SLES	1	18.4186	31.9399	33.5797	HCA2	7766	0	0	0	0.09	
-7768	H2B	SLES	1	18.1294	31.411	35.2819	HCA2	7766	0	0	0	0.09	
-7769	C1	SLES	1	20.0281	32.4796	34.9705	CC32A	7766	7770	7771	7772	-0.01	
-7770	H1B	SLES	1	20.4456	33.0364	34.1035	HCA2	7769	0	0	0	0.09	
-7771	H1A	SLES	1	19.6036	33.2085	35.6896	HCA2	7769	0	0	0	0.09	
-7772	O1	SLES	1	21.2685	32.0128	35.5921	OC30A	7769	7773	0	0	-0.34	
-7773	C1	SLES	1	21.8685	32.9458	36.5634	CTL2	7772	7774	7775	7776	-0.18	
-7774	H11	SLES	1	21.3291	33.9057	36.4692	HAL2	7773	0	0	0	0.09	
-7775	H12	SLES	1	21.5842	32.4707	37.525	HAL2	7773	0	0	0	0.09	
-7776	C2	SLES	1	23.4263	33.2083	36.5358	CTL2	7773	7777	7778	7779	-0.18	
-7777	H21	SLES	1	23.878	32.6336	35.6966	HAL2	7776	0	0	0	0.09	
-7778	H22	SLES	1	23.8722	32.8367	37.4844	HAL2	7776	0	0	0	0.09	
-7779	C3	SLES	1	23.785	34.7634	36.359	CTL2	7776	7780	7781	7782	-0.18	
-7780	H31	SLES	1	24.1117	34.9418	35.3103	HAL2	7779	0	0	0	0.09	
-7781	H32	SLES	1	22.8731	35.3672	36.5382	HAL2	7779	0	0	0	0.09	
-7782	C4	SLES	1	24.9271	35.2519	37.3434	CTL2	7779	7783	7784	7785	-0.18	
-7783	H41	SLES	1	25.8813	35.3221	36.7806	HAL2	7782	0	0	0	0.09	
-7784	H42	SLES	1	25.0601	34.4993	38.1502	HAL2	7782	0	0	0	0.09	
-7785	C5	SLES	1	24.605	36.668	38.0036	CTL2	7782	7786	7787	7788	-0.18	
-7786	H51	SLES	1	23.8168	37.1765	37.4057	HAL2	7785	0	0	0	0.09	
-7787	H52	SLES	1	24.2046	36.5065	39.0306	HAL2	7785	0	0	0	0.09	
-7788	C6	SLES	1	25.8667	37.6073	38.0876	CTL2	7785	7789	7790	7791	-0.18	
-7789	H61	SLES	1	26.1206	37.966	37.0649	HAL2	7788	0	0	0	0.09	
-7790	H62	SLES	1	25.6147	38.4972	38.7105	HAL2	7788	0	0	0	0.09	
-7791	C7	SLES	1	27.1128	36.8939	38.7011	CTL2	7788	7792	7793	7794	-0.18	
-7792	H71	SLES	1	27.6074	36.2851	37.912	HAL2	7791	0	0	0	0.09	
-7793	H72	SLES	1	26.7771	36.204	39.5072	HAL2	7791	0	0	0	0.09	
-7794	C8	SLES	1	28.1431	37.8912	39.2869	CTL2	7791	7795	7796	7797	-0.18	
-7795	H81	SLES	1	28.3093	38.7149	38.5553	HAL2	7794	0	0	0	0.09	
-7796	H82	SLES	1	27.7281	38.3375	40.2192	HAL2	7794	0	0	0	0.09	
-7797	C9	SLES	1	29.5012	37.2184	39.6087	CTL2	7794	7798	7799	7800	-0.18	
-7798	H91	SLES	1	29.9012	36.7469	38.6824	HAL2	7797	0	0	0	0.09	
-7799	H92	SLES	1	29.3383	36.4139	40.3608	HAL2	7797	0	0	0	0.09	
-7800	C10	SLES	1	30.5465	38.2182	40.1574	CTL2	7797	7801	7802	7803	-0.18	
-7801	H10	SLES	1	30.7269	39.0104	39.3954	HAL2	7800	0	0	0	0.09	
-7802	H10	SLES	1	30.1381	38.7064	41.0711	HAL2	7800	0	0	0	0.09	
-7803	C11	SLES	1	31.8953	37.5354	40.5073	CTL2	7800	7804	7805	7806	-0.18	
-7804	H11	SLES	1	32.3029	37.0545	39.5888	HAL2	7803	0	0	0	0.09	
-7805	H11	SLES	1	31.7071	36.7322	41.2559	HAL2	7803	0	0	0	0.09	
-7806	C12	SLES	1	32.9597	38.5091	41.0759	CTL3	7803	7807	7808	7809	-0.27	
-7807	H12	SLES	1	33.866	38.5105	40.4311	HAL3	7806	0	0	0	0.09	
-7808	H12	SLES	1	33.256	38.201	42.103	HAL3	7806	0	0	0	0.09	
-7809	H12	SLES	1	32.5542	39.5434	41.1196	HAL3	7806	0	0	0	0.09	
-7810	NA	SLES	1	21.9479	18.4572	31.4656	NA	0	0	0	0	1	
-7811	S	SLES	1	20.1885	21.3977	32.7337	SL	7812	7813	7814	7815	1.33	
-7812	OS1	SLES	1	21.8407	21.153	32.8659	OSL	7811	7816	0	0	-0.28	
-7813	OS2	SLES	1	19.8806	21.3511	31.3193	O2L	7811	0	0	0	-0.65	
-7814	OS3	SLES	1	19.5606	20.2826	33.4111	O2L	7811	0	0	0	-0.65	
-7815	OS4	SLES	1	19.7174	22.6506	33.302	O2L	7811	0	0	0	-0.65	
-7816	C2	SLES	1	22.5061	22.3858	33.3735	CC32A	7812	7817	7818	7819	-0.11	
-7817	H2A	SLES	1	22.2597	23.2681	32.7194	HCA2	7816	0	0	0	0.09	
-7818	H2B	SLES	1	22.1337	22.5894	34.4156	HCA2	7816	0	0	0	0.09	
-7819	C1	SLES	1	24.0918	22.1593	33.4002	CC32A	7816	7820	7821	7822	-0.01	
-7820	H1B	SLES	1	24.4505	21.8707	32.3856	HCA2	7819	0	0	0	0.09	
-7821	H1A	SLES	1	24.3465	21.3442	34.117	HCA2	7819	0	0	0	0.09	
-7822	O1	SLES	1	24.9928	23.2677	33.771	OC30A	7819	7823	0	0	-0.34	
-7823	C2	SLES	1	24.3958	24.3773	34.4746	CC32A	7822	7824	7825	7826	-0.01	
-7824	H2A	SLES	1	23.6495	24.7354	33.7387	HCA2	7823	0	0	0	0.09	
-7825	H2B	SLES	1	23.8616	23.8716	35.3102	HCA2	7823	0	0	0	0.09	
-7826	C1	SLES	1	25.2046	25.5923	35.0284	CC32A	7823	7827	7828	7829	-0.01	
-7827	H1B	SLES	1	25.2501	26.3943	34.2598	HCA2	7826	0	0	0	0.09	
-7828	H1A	SLES	1	24.695	25.9914	35.9282	HCA2	7826	0	0	0	0.09	
-7829	O1	SLES	1	26.6191	25.515	35.3971	OC30A	7826	7830	0	0	-0.34	
-7830	C1	SLES	1	27.0338	26.4334	36.4735	CTL2	7829	7831	7832	7833	-0.18	
-7831	H11	SLES	1	26.1961	27.1332	36.6455	HAL2	7830	0	0	0	0.09	
-7832	H12	SLES	1	27.1009	25.7396	37.3369	HAL2	7830	0	0	0	0.09	
-7833	C2	SLES	1	28.3821	27.2449	36.3327	CTL2	7830	7834	7835	7836	-0.18	
-7834	H21	SLES	1	28.8437	27.0164	35.346	HAL2	7833	0	0	0	0.09	
-7835	H22	SLES	1	29.0877	26.9137	37.1258	HAL2	7833	0	0	0	0.09	
-7836	C3	SLES	1	28.161	28.8308	36.4533	CTL2	7833	7837	7838	7839	-0.18	
-7837	H31	SLES	1	28.2172	29.2816	35.4374	HAL2	7836	0	0	0	0.09	
-7838	H32	SLES	1	27.1467	29.0246	36.8554	HAL2	7836	0	0	0	0.09	
-7839	C4	SLES	1	29.2287	29.5361	37.3885	CTL2	7836	7840	7841	7842	-0.18	
-7840	H41	SLES	1	29.988	30.0377	36.7529	HAL2	7839	0	0	0	0.09	
-7841	H42	SLES	1	29.7474	28.7642	37.9969	HAL2	7839	0	0	0	0.09	
-7842	C5	SLES	1	28.573	30.6125	38.3665	CTL2	7839	7843	7844	7845	-0.18	
-7843	H51	SLES	1	27.567	30.8886	37.9802	HAL2	7842	0	0	0	0.09	
-7844	H52	SLES	1	28.4391	30.1539	39.3728	HAL2	7842	0	0	0	0.09	
-7845	C6	SLES	1	29.4402	31.9195	38.5105	CTL2	7842	7846	7847	7848	-0.18	
-7846	H61	SLES	1	29.3732	32.5052	37.5662	HAL2	7845	0	0	0	0.09	
-7847	H62	SLES	1	29.0192	32.5446	39.3324	HAL2	7845	0	0	0	0.09	
-7848	C7	SLES	1	30.9413	31.6193	38.8181	CTL2	7845	7849	7850	7851	-0.18	
-7849	H71	SLES	1	31.4629	31.3672	37.8683	HAL2	7848	0	0	0	0.09	
-7850	H72	SLES	1	31.0052	30.7348	39.4903	HAL2	7848	0	0	0	0.09	
-7851	C8	SLES	1	31.6641	32.815	39.487	CTL2	7848	7852	7853	7854	-0.18	
-7852	H81	SLES	1	31.4117	33.7487	38.934	HAL2	7851	0	0	0	0.09	
-7853	H82	SLES	1	31.296	32.924	40.5326	HAL2	7851	0	0	0	0.09	
-7854	C9	SLES	1	33.2033	32.6395	39.5078	CTL2	7851	7855	7856	7857	-0.18	
-7855	H91	SLES	1	33.5671	32.5009	38.4643	HAL2	7854	0	0	0	0.09	
-7856	H92	SLES	1	33.4561	31.7213	40.0844	HAL2	7854	0	0	0	0.09	
-7857	C10	SLES	1	33.9326	33.8489	40.1395	CTL2	7854	7858	7859	7860	-0.18	
-7858	H10	SLES	1	33.6985	34.7638	39.5488	HAL2	7857	0	0	0	0.09	
-7859	H10	SLES	1	33.5533	34.0017	41.1753	HAL2	7857	0	0	0	0.09	
-7860	C11	SLES	1	35.4716	33.6563	40.1866	CTL2	7857	7861	7862	7863	-0.18	
-7861	H11	SLES	1	35.8469	33.5107	39.1478	HAL2	7860	0	0	0	0.09	
-7862	H11	SLES	1	35.6998	32.7306	40.7628	HAL2	7860	0	0	0	0.09	
-7863	C12	SLES	1	36.2308	34.8455	40.83	CTL3	7860	7864	7865	7866	-0.27	
-7864	H12	SLES	1	36.9543	35.2797	40.1053	HAL3	7863	0	0	0	0.09	
-7865	H12	SLES	1	36.7907	34.5055	41.7292	HAL3	7863	0	0	0	0.09	
-7866	H12	SLES	1	35.5165	35.6402	41.1371	HAL3	7863	0	0	0	0.09	
-7867	NA	SLES	1	30.6445	12.8592	30.8908	NA	0	0	0	0	1	
-7868	S	SLES	1	28.314	14.8018	32.9267	SL	7869	7870	7871	7872	1.33	
-7869	OS1	SLES	1	29.9404	15.1615	32.7463	OSL	7868	7873	0	0	-0.28	
-7870	OS2	SLES	1	27.7457	14.8012	31.5946	O2L	7868	0	0	0	-0.65	
-7871	OS3	SLES	1	28.2561	13.468	33.4872	O2L	7868	0	0	0	-0.65	
-7872	OS4	SLES	1	27.5826	15.7277	33.7766	O2L	7868	0	0	0	-0.65	
-7873	C2	SLES	1	30.2457	16.4886	33.3513	CC32A	7869	7874	7875	7876	-0.11	
-7874	H2A	SLES	1	29.5843	17.2867	32.9124	HCA2	7873	0	0	0	0.09	
-7875	H2B	SLES	1	30.0577	16.4279	34.459	HCA2	7873	0	0	0	0.09	
-7876	C1	SLES	1	31.7825	16.8525	33.0824	CC32A	7873	7877	7878	7879	-0.01	
-7877	H1B	SLES	1	31.9923	16.8266	31.9884	HCA2	7876	0	0	0	0.09	
-7878	H1A	SLES	1	32.4424	16.1128	33.5927	HCA2	7876	0	0	0	0.09	
-7879	O1	SLES	1	32.3166	18.165	33.4945	OC30A	7876	7880	0	0	-0.34	
-7880	C2	SLES	1	31.5466	18.8978	34.4706	CC32A	7879	7881	7882	7883	-0.01	
-7881	H2A	SLES	1	30.5847	19.0382	33.9395	HCA2	7880	0	0	0	0.09	
-7882	H2B	SLES	1	31.404	18.1446	35.2779	HCA2	7880	0	0	0	0.09	
-7883	C1	SLES	1	31.9993	20.2555	35.0942	CC32A	7880	7884	7885	7886	-0.01	
-7884	H1B	SLES	1	31.6083	21.0979	34.4831	HCA2	7883	0	0	0	0.09	
-7885	H1A	SLES	1	31.5896	20.3413	36.1206	HCA2	7883	0	0	0	0.09	
-7886	O1	SLES	1	33.4018	20.6579	35.2113	OC30A	7883	7887	0	0	-0.34	
-7887	C1	SLES	1	33.7037	21.5408	36.353	CTL2	7886	7888	7889	7890	-0.18	
-7888	H11	SLES	1	32.7369	21.8651	36.7787	HAL2	7887	0	0	0	0.09	
-7889	H12	SLES	1	34.182	20.8291	37.0572	HAL2	7887	0	0	0	0.09	
-7890	C2	SLES	1	34.6389	22.7971	36.1438	CTL2	7887	7891	7892	7893	-0.18	
-7891	H21	SLES	1	34.9288	22.8612	35.0712	HAL2	7890	0	0	0	0.09	
-7892	H22	SLES	1	35.5665	22.6606	36.7418	HAL2	7890	0	0	0	0.09	
-7893	C3	SLES	1	33.9298	24.1708	36.5781	CTL2	7890	7894	7895	7896	-0.18	
-7894	H31	SLES	1	33.6136	24.7192	35.6628	HAL2	7893	0	0	0	0.09	
-7895	H32	SLES	1	33.0196	23.9376	37.1659	HAL2	7893	0	0	0	0.09	
-7896	C4	SLES	1	34.8723	25.1094	37.4399	CTL2	7893	7897	7898	7899	-0.18	
-7897	H41	SLES	1	35.2654	25.9188	36.79	HAL2	7896	0	0	0	0.09	
-7898	H42	SLES	1	35.7368	24.5174	37.8103	HAL2	7896	0	0	0	0.09	
-7899	C5	SLES	1	34.1179	25.7602	38.6859	CTL2	7896	7900	7901	7902	-0.18	
-7900	H51	SLES	1	33.0199	25.6921	38.5215	HAL2	7899	0	0	0	0.09	
-7901	H52	SLES	1	34.3633	25.1774	39.6031	HAL2	7899	0	0	0	0.09	
-7902	C6	SLES	1	34.5061	27.2689	38.9186	CTL2	7899	7903	7904	7905	-0.18	
-7903	H61	SLES	1	34.0469	27.8895	38.1167	HAL2	7902	0	0	0	0.09	
-7904	H62	SLES	1	34.0853	27.6045	39.8953	HAL2	7902	0	0	0	0.09	
-7905	C7	SLES	1	36.0498	27.5033	38.923	CTL2	7902	7906	7907	7908	-0.18	
-7906	H71	SLES	1	36.4106	27.5632	37.8723	HAL2	7905	0	0	0	0.09	
-7907	H72	SLES	1	36.5484	26.6348	39.4083	HAL2	7905	0	0	0	0.09	
-7908	C8	SLES	1	36.4546	28.7992	39.6687	CTL2	7905	7909	7910	7911	-0.18	
-7909	H81	SLES	1	35.792	29.6317	39.3382	HAL2	7908	0	0	0	0.09	
-7910	H82	SLES	1	36.3031	28.6522	40.7623	HAL2	7908	0	0	0	0.09	
-7911	C9	SLES	1	37.9304	29.194	39.4106	CTL2	7908	7912	7913	7914	-0.18	
-7912	H91	SLES	1	38.0883	29.3119	38.3145	HAL2	7911	0	0	0	0.09	
-7913	H92	SLES	1	38.5932	28.3735	39.7668	HAL2	7911	0	0	0	0.09	
-7914	C10	SLES	1	38.3287	30.5091	40.1216	CTL2	7911	7915	7916	7917	-0.18	
-7915	H10	SLES	1	37.6811	31.3349	39.7482	HAL2	7914	0	0	0	0.09	
-7916	H10	SLES	1	38.1501	30.3996	41.2153	HAL2	7914	0	0	0	0.09	
-7917	C11	SLES	1	39.8155	30.8852	39.8861	CTL2	7914	7918	7919	7920	-0.18	
-7918	H11	SLES	1	39.9875	31.0002	38.7914	HAL2	7917	0	0	0	0.09	
-7919	H11	SLES	1	40.4583	30.0488	40.2445	HAL2	7917	0	0	0	0.09	
-7920	C12	SLES	1	40.2506	32.1911	40.6001	CTL3	7917	7921	7922	7923	-0.27	
-7921	H12	SLES	1	40.6144	32.935	39.8574	HAL3	7920	0	0	0	0.09	
-7922	H12	SLES	1	41.07	31.982	41.3228	HAL3	7920	0	0	0	0.09	
-7923	H12	SLES	1	39.394	32.6333	41.154	HAL3	7920	0	0	0	0.09	
-7924	NA	SLES	1	40.2563	9.67707	30.3932	NA	0	0	0	0	1	
-7925	S	SLES	1	37.9505	10.5464	33.091	SL	7926	7927	7928	7929	1.33	
-7926	OS1	SLES	1	39.2682	11.4756	32.6356	OSL	7925	7930	0	0	-0.28	
-7927	OS2	SLES	1	37.1211	10.4082	31.9118	O2L	7925	0	0	0	-0.65	
-7928	OS3	SLES	1	38.4814	9.25468	33.4735	O2L	7925	0	0	0	-0.65	
-7929	OS4	SLES	1	37.1691	11.1033	34.1836	O2L	7925	0	0	0	-0.65	
-7930	C2	SLES	1	39.2379	12.7915	33.3341	CC32A	7926	7931	7932	7933	-0.11	
-7931	H2A	SLES	1	38.2618	13.3192	33.1447	HCA2	7930	0	0	0	0.09	
-7932	H2B	SLES	1	39.3465	12.6117	34.4395	HCA2	7930	0	0	0	0.09	
-7933	C1	SLES	1	40.4518	13.6969	32.8114	CC32A	7930	7934	7935	7936	-0.01	
-7934	H1B	SLES	1	40.3956	13.8032	31.7036	HCA2	7933	0	0	0	0.09	
-7935	H1A	SLES	1	41.4234	13.2194	33.0779	HCA2	7933	0	0	0	0.09	
-7936	O1	SLES	1	40.5898	15.0912	33.2747	OC30A	7933	7937	0	0	-0.34	
-7937	C2	SLES	1	39.8681	15.4478	34.4725	CC32A	7936	7938	7939	7940	-0.01	
-7938	H2A	SLES	1	38.8198	15.2593	34.1685	HCA2	7937	0	0	0	0.09	
-7939	H2B	SLES	1	40.1826	14.6542	35.1871	HCA2	7937	0	0	0	0.09	
-7940	C1	SLES	1	39.9661	16.8443	35.1635	CC32A	7937	7941	7942	7943	-0.01	
-7941	H1B	SLES	1	39.1811	17.5193	34.7582	HCA2	7940	0	0	0	0.09	
-7942	H1A	SLES	1	39.804	16.7254	36.2535	HCA2	7940	0	0	0	0.09	
-7943	O1	SLES	1	41.135	17.7179	35.0475	OC30A	7940	7944	0	0	-0.34	
-7944	C1	SLES	1	41.3778	18.5917	36.21	CTL2	7943	7945	7946	7947	-0.18	
-7945	H11	SLES	1	40.4867	18.5247	36.8599	HAL2	7944	0	0	0	0.09	
-7946	H12	SLES	1	42.2198	18.0653	36.7051	HAL2	7944	0	0	0	0.09	
-7947	C2	SLES	1	41.7549	20.1091	35.9822	CTL2	7944	7948	7949	7950	-0.18	
-7948	H21	SLES	1	41.7462	20.327	34.8908	HAL2	7947	0	0	0	0.09	
-7949	H22	SLES	1	42.7863	20.2856	36.3585	HAL2	7947	0	0	0	0.09	
-7950	C3	SLES	1	40.7445	21.1121	36.725	CTL2	7947	7951	7952	7953	-0.18	
-7951	H31	SLES	1	40.0563	21.5553	35.9712	HAL2	7950	0	0	0	0.09	
-7952	H32	SLES	1	40.132	20.5379	37.4483	HAL2	7950	0	0	0	0.09	
-7953	C4	SLES	1	41.4867	22.2823	37.4943	CTL2	7950	7954	7955	7956	-0.18	
-7954	H41	SLES	1	41.4182	23.2105	36.8894	HAL2	7953	0	0	0	0.09	
-7955	H42	SLES	1	42.5619	22.0232	37.6031	HAL2	7953	0	0	0	0.09	
-7956	C5	SLES	1	40.8704	22.5547	38.9403	CTL2	7953	7957	7958	7959	-0.18	
-7957	H51	SLES	1	39.8545	22.1046	38.9926	HAL2	7956	0	0	0	0.09	
-7958	H52	SLES	1	41.5063	22.0539	39.7056	HAL2	7956	0	0	0	0.09	
-7959	C6	SLES	1	40.7668	24.0884	39.2843	CTL2	7956	7960	7961	7962	-0.18	
-7960	H61	SLES	1	39.9502	24.5417	38.6786	HAL2	7959	0	0	0	0.09	
-7961	H62	SLES	1	40.4982	24.2006	40.3608	HAL2	7959	0	0	0	0.09	
-7962	C7	SLES	1	42.0949	24.8618	39.0086	CTL2	7959	7963	7964	7965	-0.18	
-7963	H71	SLES	1	42.1574	25.1002	37.9237	HAL2	7962	0	0	0	0.09	
-7964	H72	SLES	1	42.9574	24.2076	39.2667	HAL2	7962	0	0	0	0.09	
-7965	C8	SLES	1	42.1988	26.1773	39.8197	CTL2	7962	7966	7967	7968	-0.18	
-7966	H81	SLES	1	41.2353	26.7312	39.7403	HAL2	7965	0	0	0	0.09	
-7967	H82	SLES	1	42.3666	25.9309	40.8929	HAL2	7965	0	0	0	0.09	
-7968	C9	SLES	1	43.3491	27.0891	39.3238	CTL2	7965	7969	7970	7971	-0.18	
-7969	H91	SLES	1	43.1964	27.3108	38.2431	HAL2	7968	0	0	0	0.09	
-7970	H92	SLES	1	44.3146	26.5451	39.4296	HAL2	7968	0	0	0	0.09	
-7971	C10	SLES	1	43.4324	28.4218	40.105	CTL2	7968	7972	7973	7974	-0.18	
-7972	H10	SLES	1	42.4749	28.9771	39.9799	HAL2	7971	0	0	0	0.09	
-7973	H10	SLES	1	43.5629	28.2006	41.1885	HAL2	7971	0	0	0	0.09	
-7974	C11	SLES	1	44.6045	29.319	39.6262	CTL2	7971	7975	7976	7977	-0.18	
-7975	H11	SLES	1	44.4659	29.543	38.5437	HAL2	7974	0	0	0	0.09	
-7976	H11	SLES	1	45.5576	28.7529	39.7362	HAL2	7974	0	0	0	0.09	
-7977	C12	SLES	1	44.7251	30.6563	40.4017	CTL3	7974	7978	7979	7980	-0.27	
-7978	H12	SLES	1	44.6305	31.5175	39.7042	HAL3	7977	0	0	0	0.09	
-7979	H12	SLES	1	45.7118	30.7199	40.9115	HAL3	7977	0	0	0	0.09	
-7980	H12	SLES	1	43.9243	30.7323	41.1692	HAL3	7977	0	0	0	0.09	
-7981	NA	SLES	1	50.1713	8.95001	30.0068	NA	0	0	0	0	1	
-7982	S	SLES	1	48.4237	8.98134	33.2154	SL	7983	7984	7985	7986	1.33	
-7983	OS1	SLES	1	49.1892	10.3105	32.5413	OSL	7982	7987	0	0	-0.28	
-7984	OS2	SLES	1	47.4369	8.54496	32.2493	O2L	7982	0	0	0	-0.65	
-7985	OS3	SLES	1	49.4434	7.96511	33.3708	O2L	7982	0	0	0	-0.65	
-7986	OS4	SLES	1	47.7834	9.23945	34.4952	O2L	7982	0	0	0	-0.65	
-7987	C2	SLES	1	48.8739	11.5392	33.3232	CC32A	7983	7988	7989	7990	-0.11	
-7988	H2A	SLES	1	47.7605	11.6859	33.4005	HCA2	7987	0	0	0	0.09	
-7989	H2B	SLES	1	49.299	11.4227	34.3585	HCA2	7987	0	0	0	0.09	
-7990	C1	SLES	1	49.5374	12.8086	32.6056	CC32A	7987	7991	7992	7993	-0.01	
-7991	H1B	SLES	1	49.1848	12.8749	31.5507	HCA2	7990	0	0	0	0.09	
-7992	H1A	SLES	1	50.6478	12.7083	32.608	HCA2	7990	0	0	0	0.09	
-7993	O1	SLES	1	49.2915	14.1673	33.1266	OC30A	7990	7994	0	0	-0.34	
-7994	C2	SLES	1	48.7997	14.2604	34.4802	CC32A	7993	7995	7996	7997	-0.01	
-7995	H2A	SLES	1	47.8411	13.7102	34.41	HCA2	7994	0	0	0	0.09	
-7996	H2B	SLES	1	49.5303	13.6377	35.044	HCA2	7994	0	0	0	0.09	
-7997	C1	SLES	1	48.5712	15.6098	35.2314	CC32A	7994	7998	7999	8000	-0.01	
-7998	H1B	SLES	1	47.5286	15.959	35.0664	HCA2	7997	0	0	0	0.09	
-7999	H1A	SLES	1	48.7258	15.4543	36.3179	HCA2	7997	0	0	0	0.09	
-8000	O1	SLES	1	49.3021	16.8384	34.9167	OC30A	7997	8001	0	0	-0.34	
-8001	C1	SLES	1	49.4984	17.7556	36.0543	CTL2	8000	8002	8003	8004	-0.18	
-8002	H11	SLES	1	48.8683	17.386	36.8834	HAL2	8001	0	0	0	0.09	
-8003	H12	SLES	1	50.5627	17.5665	36.3045	HAL2	8001	0	0	0	0.09	
-8004	C2	SLES	1	49.2615	19.3055	35.8588	CTL2	8001	8005	8006	8007	-0.18	
-8005	H21	SLES	1	48.9174	19.4932	34.8172	HAL2	8004	0	0	0	0.09	
-8006	H22	SLES	1	50.2264	19.8394	36.0021	HAL2	8004	0	0	0	0.09	
-8007	C3	SLES	1	48.1756	19.8959	36.8839	CTL2	8004	8008	8009	8010	-0.18	
-8008	H31	SLES	1	47.2177	20.0583	36.3415	HAL2	8007	0	0	0	0.09	
-8009	H32	SLES	1	47.9913	19.1511	37.6836	HAL2	8007	0	0	0	0.09	
-8010	C4	SLES	1	48.6286	21.262	37.5478	CTL2	8007	8011	8012	8013	-0.18	
-8011	H41	SLES	1	48.1009	22.0988	37.0443	HAL2	8010	0	0	0	0.09	
-8012	H42	SLES	1	49.7197	21.4006	37.3894	HAL2	8010	0	0	0	0.09	
-8013	C5	SLES	1	48.3209	21.3165	39.1122	CTL2	8010	8014	8015	8016	-0.18	
-8014	H51	SLES	1	47.5672	20.5373	39.3613	HAL2	8013	0	0	0	0.09	
-8015	H52	SLES	1	49.254	21.0819	39.6736	HAL2	8013	0	0	0	0.09	
-8016	C6	SLES	1	47.779	22.7188	39.5826	CTL2	8013	8017	8018	8019	-0.18	
-8017	H61	SLES	1	46.7366	22.8471	39.2139	HAL2	8016	0	0	0	0.09	
-8018	H62	SLES	1	47.7539	22.7419	40.6972	HAL2	8016	0	0	0	0.09	
-8019	C7	SLES	1	48.6509	23.9081	39.0692	CTL2	8016	8020	8021	8022	-0.18	
-8020	H71	SLES	1	48.3657	24.1401	38.0191	HAL2	8019	0	0	0	0.09	
-8021	H72	SLES	1	49.7213	23.6038	39.0751	HAL2	8019	0	0	0	0.09	
-8022	C8	SLES	1	48.4843	25.1852	39.9297	CTL2	8019	8023	8024	8025	-0.18	
-8023	H81	SLES	1	47.3996	25.3621	40.1129	HAL2	8022	0	0	0	0.09	
-8024	H82	SLES	1	48.9784	25.0269	40.9153	HAL2	8022	0	0	0	0.09	
-8025	C9	SLES	1	49.0943	26.4384	39.2531	CTL2	8022	8026	8027	8028	-0.18	
-8026	H91	SLES	1	48.6207	26.5789	38.2549	HAL2	8025	0	0	0	0.09	
-8027	H92	SLES	1	50.1838	26.2718	39.0959	HAL2	8025	0	0	0	0.09	
-8028	C10	SLES	1	48.896	27.724	40.0906	CTL2	8025	8029	8030	8031	-0.18	
-8029	H10	SLES	1	47.8054	27.9037	40.2282	HAL2	8028	0	0	0	0.09	
-8030	H10	SLES	1	49.35	27.5762	41.0966	HAL2	8028	0	0	0	0.09	
-8031	C11	SLES	1	49.5349	28.9714	39.4247	CTL2	8028	8032	8033	8034	-0.18	
-8032	H11	SLES	1	49.0729	29.119	38.4217	HAL2	8031	0	0	0	0.09	
-8033	H11	SLES	1	50.6218	28.7799	39.2727	HAL2	8031	0	0	0	0.09	
-8034	C12	SLES	1	49.3675	30.2744	40.2485	CTL3	8031	8035	8036	8037	-0.27	
-8035	H12	SLES	1	48.8172	31.0383	39.6561	HAL3	8034	0	0	0	0.09	
-8036	H12	SLES	1	50.3628	30.6885	40.5233	HAL3	8034	0	0	0	0.09	
-8037	H12	SLES	1	48.7982	30.0719	41.1817	HAL3	8034	0	0	0	0.09	
-8038	NA	SLES	1	59.8403	10.5954	29.7579	NA	0	0	0	0	1	
-8039	S	SLES	1	58.9746	10.2565	33.2915	SL	8040	8041	8042	8043	1.33	
-8040	OS1	SLES	1	59.0461	11.715	32.47	OSL	8039	8044	0	0	-0.28	
-8041	OS2	SLES	1	58.0132	9.43619	32.5842	O2L	8039	0	0	0	-0.65	
-8042	OS3	SLES	1	60.2942	9.66979	33.1863	O2L	8039	0	0	0	-0.65	
-8043	OS4	SLES	1	58.5941	10.3708	34.6903	O2L	8039	0	0	0	-0.65	
-8044	C2	SLES	1	58.5042	12.8129	33.3193	CC32A	8040	8045	8046	8047	-0.11	
-8045	H2A	SLES	1	57.4598	12.5709	33.6624	HCA2	8044	0	0	0	0.09	
-8046	H2B	SLES	1	59.167	12.927	34.2214	HCA2	8044	0	0	0	0.09	
-8047	C1	SLES	1	58.4944	14.177	32.4792	CC32A	8044	8048	8049	8050	-0.01	
-8048	H1B	SLES	1	57.9107	14.0395	31.5401	HCA2	8047	0	0	0	0.09	
-8049	H1A	SLES	1	59.5379	14.4672	32.2148	HCA2	8047	0	0	0	0.09	
-8050	O1	SLES	1	57.9101	15.4013	33.0602	OC30A	8047	8051	0	0	-0.34	
-8051	C2	SLES	1	57.7394	15.418	34.4931	CC32A	8050	8052	8053	8054	-0.01	
-8052	H2A	SLES	1	57.0479	14.5667	34.6476	HCA2	8051	0	0	0	0.09	
-8053	H2B	SLES	1	58.7507	15.1295	34.8583	HCA2	8051	0	0	0	0.09	
-8054	C1	SLES	1	57.2266	16.6565	35.2934	CC32A	8051	8055	8056	8057	-0.01	
-8055	H1B	SLES	1	56.1197	16.6106	35.3867	HCA2	8054	0	0	0	0.09	
-8056	H1A	SLES	1	57.6694	16.6444	36.3095	HCA2	8054	0	0	0	0.09	
-8057	O1	SLES	1	57.3842	18.0353	34.8279	OC30A	8054	8058	0	0	-0.34	
-8058	C1	SLES	1	57.4975	19.0449	35.8965	CTL2	8057	8059	8060	8061	-0.18	
-8059	H11	SLES	1	57.2452	18.5422	36.8477	HAL2	8058	0	0	0	0.09	
-8060	H12	SLES	1	58.587	19.2543	35.8826	HAL2	8058	0	0	0	0.09	
-8061	C2	SLES	1	56.6906	20.3985	35.782	CTL2	8058	8062	8063	8064	-0.18	
-8062	H21	SLES	1	56.0747	20.3785	34.8552	HAL2	8061	0	0	0	0.09	
-8063	H22	SLES	1	57.4102	21.242	35.6969	HAL2	8061	0	0	0	0.09	
-8064	C3	SLES	1	55.7304	20.6508	37.0441	CTL2	8061	8065	8066	8067	-0.18	
-8065	H31	SLES	1	54.6802	20.4317	36.7484	HAL2	8064	0	0	0	0.09	
-8066	H32	SLES	1	56.0083	19.9491	37.8556	HAL2	8064	0	0	0	0.09	
-8067	C4	SLES	1	55.8101	22.1341	37.5968	CTL2	8064	8068	8069	8070	-0.18	
-8068	H41	SLES	1	54.921	22.6975	37.2442	HAL2	8067	0	0	0	0.09	
-8069	H42	SLES	1	56.7151	22.6293	37.1838	HAL2	8067	0	0	0	0.09	
-8070	C5	SLES	1	55.8681	22.1938	39.1899	CTL2	8067	8071	8072	8073	-0.18	
-8071	H51	SLES	1	55.5162	21.2226	39.6027	HAL2	8070	0	0	0	0.09	
-8072	H52	SLES	1	56.9256	22.3381	39.509	HAL2	8070	0	0	0	0.09	
-8073	C6	SLES	1	54.9883	23.3528	39.7931	CTL2	8070	8074	8075	8076	-0.18	
-8074	H61	SLES	1	53.9131	23.0854	39.686	HAL2	8073	0	0	0	0.09	
-8075	H62	SLES	1	55.2114	23.4477	40.8816	HAL2	8073	0	0	0	0.09	
-8076	C7	SLES	1	55.2424	24.729	39.1005	CTL2	8073	8077	8078	8079	-0.18	
-8077	H71	SLES	1	54.6624	24.7703	38.1519	HAL2	8076	0	0	0	0.09	
-8078	H72	SLES	1	56.3225	24.8148	38.8466	HAL2	8076	0	0	0	0.09	
-8079	C8	SLES	1	54.8363	25.9294	39.9912	CTL2	8076	8080	8081	8082	-0.18	
-8080	H81	SLES	1	53.8313	25.7334	40.4305	HAL2	8079	0	0	0	0.09	
-8081	H82	SLES	1	55.5651	26.0246	40.8281	HAL2	8079	0	0	0	0.09	
-8082	C9	SLES	1	54.793	27.2629	39.2035	CTL2	8079	8083	8084	8085	-0.18	
-8083	H91	SLES	1	54.0862	27.1572	38.3493	HAL2	8082	0	0	0	0.09	
-8084	H92	SLES	1	55.8046	27.472	38.7884	HAL2	8082	0	0	0	0.09	
-8085	C10	SLES	1	54.3498	28.4585	40.0796	CTL2	8082	8086	8087	8088	-0.18	
-8086	H10	SLES	1	53.328	28.2598	40.4761	HAL2	8085	0	0	0	0.09	
-8087	H10	SLES	1	55.0431	28.5511	40.946	HAL2	8085	0	0	0	0.09	
-8088	C11	SLES	1	54.3372	29.7974	39.2952	CTL2	8085	8089	8090	8091	-0.18	
-8089	H11	SLES	1	53.6373	29.7019	38.4337	HAL2	8088	0	0	0	0.09	
-8090	H11	SLES	1	55.3564	29.9827	38.8855	HAL2	8088	0	0	0	0.09	
-8091	C12	SLES	1	53.9128	31.0189	40.1508	CTL3	8088	8092	8093	8094	-0.27	
-8092	H12	SLES	1	53.0087	31.4997	39.7165	HAL3	8091	0	0	0	0.09	
-8093	H12	SLES	1	54.7322	31.7706	40.1846	HAL3	8091	0	0	0	0.09	
-8094	H12	SLES	1	53.6804	30.7013	41.1906	HAL3	8091	0	0	0	0.09	
-8095	NA	SLES	1	68.7797	14.4498	29.6635	NA	0	0	0	0	1	
-8096	S	SLES	1	68.8233	14.2998	33.314	SL	8097	8098	8099	8100	1.33	
-8097	OS1	SLES	1	68.1987	15.5762	32.4263	OSL	8096	8101	0	0	-0.28	
-8098	OS2	SLES	1	68.1002	13.1175	32.8936	O2L	8096	0	0	0	-0.65	
-8099	OS3	SLES	1	70.2155	14.187	32.9325	O2L	8096	0	0	0	-0.65	
-8100	OS4	SLES	1	68.7167	14.4591	34.7555	O2L	8096	0	0	0	-0.65	
-8101	C2	SLES	1	67.4808	16.5257	33.3226	CC32A	8097	8102	8103	8104	-0.11	
-8102	H2A	SLES	1	66.6851	15.9906	33.9124	HCA2	8101	0	0	0	0.09	
-8103	H2B	SLES	1	68.225	16.974	34.0377	HCA2	8101	0	0	0	0.09	
-8104	C1	SLES	1	66.8122	17.6841	32.4408	CC32A	8101	8105	8106	8107	-0.01	
-8105	H1B	SLES	1	66.141	17.236	31.6725	HCA2	8104	0	0	0	0.09	
-8106	H1A	SLES	1	67.6055	18.274	31.9252	HCA2	8104	0	0	0	0.09	
-8107	O1	SLES	1	65.9563	18.7021	33.0801	OC30A	8104	8108	0	0	-0.34	
-8108	C2	SLES	1	66.0828	18.8461	34.5105	CC32A	8107	8109	8110	8111	-0.01	
-8109	H2A	SLES	1	65.79	17.8385	34.8651	HCA2	8108	0	0	0	0.09	
-8110	H2B	SLES	1	67.1815	18.9677	34.6428	HCA2	8108	0	0	0	0.09	
-8111	C1	SLES	1	65.331	19.9301	35.3453	CC32A	8108	8112	8113	8114	-0.01	
-8112	H1B	SLES	1	64.3577	19.5241	35.6973	HCA2	8111	0	0	0	0.09	
-8113	H1A	SLES	1	65.943	20.2011	36.2288	HCA2	8111	0	0	0	0.09	
-8114	O1	SLES	1	64.8849	21.2077	34.7871	OC30A	8111	8115	0	0	-0.34	
-8115	C1	SLES	1	64.8399	22.3256	35.7474	CTL2	8114	8116	8117	8118	-0.18	
-8116	H11	SLES	1	64.9821	21.8955	36.7553	HAL2	8115	0	0	0	0.09	
-8117	H12	SLES	1	65.7545	22.8885	35.4684	HAL2	8115	0	0	0	0.09	
-8118	C2	SLES	1	63.5948	23.2983	35.7571	CTL2	8115	8119	8120	8121	-0.18	
-8119	H21	SLES	1	62.8545	22.9503	35.0024	HAL2	8118	0	0	0	0.09	
-8120	H22	SLES	1	63.9299	24.3172	35.4636	HAL2	8118	0	0	0	0.09	
-8121	C3	SLES	1	62.8829	23.3718	37.1946	CTL2	8118	8122	8123	8124	-0.18	
-8122	H31	SLES	1	61.9453	22.773	37.1644	HAL2	8121	0	0	0	0.09	
-8123	H32	SLES	1	63.5517	22.9178	37.9527	HAL2	8121	0	0	0	0.09	
-8124	C4	SLES	1	62.533	24.8526	37.638	CTL2	8121	8125	8126	8127	-0.18	
-8125	H41	SLES	1	61.4494	25.0302	37.4755	HAL2	8124	0	0	0	0.09	
-8126	H42	SLES	1	63.0965	25.5673	37.0003	HAL2	8124	0	0	0	0.09	
-8127	C5	SLES	1	62.8848	25.135	39.1682	CTL2	8124	8128	8129	8130	-0.18	
-8128	H51	SLES	1	62.9964	24.1645	39.7002	HAL2	8127	0	0	0	0.09	
-8129	H52	SLES	1	63.8606	25.6696	39.2232	HAL2	8127	0	0	0	0.09	
-8130	C6	SLES	1	61.7875	25.995	39.9016	CTL2	8127	8131	8132	8133	-0.18	
-8131	H61	SLES	1	60.8824	25.3672	40.0627	HAL2	8130	0	0	0	0.09	
-8132	H62	SLES	1	62.1754	26.3005	40.9014	HAL2	8130	0	0	0	0.09	
-8133	C7	SLES	1	61.3847	27.2733	39.1005	CTL2	8130	8134	8135	8136	-0.18	
-8134	H71	SLES	1	60.6507	26.9917	38.3132	HAL2	8133	0	0	0	0.09	
-8135	H72	SLES	1	62.2869	27.6865	38.5968	HAL2	8133	0	0	0	0.09	
-8136	C8	SLES	1	60.7619	28.3698	40	CTL2	8133	8137	8138	8139	-0.18	
-8137	H81	SLES	1	60.0051	27.9034	40.6717	HAL2	8136	0	0	0	0.09	
-8138	H82	SLES	1	61.56	28.8144	40.6372	HAL2	8136	0	0	0	0.09	
-8139	C9	SLES	1	60.0845	29.4951	39.1784	CTL2	8136	8140	8141	8142	-0.18	
-8140	H91	SLES	1	59.3067	29.0458	38.5198	HAL2	8139	0	0	0	0.09	
-8141	H92	SLES	1	60.8474	29.9791	38.528	HAL2	8139	0	0	0	0.09	
-8142	C10	SLES	1	59.4267	30.5726	40.0726	CTL2	8139	8143	8144	8145	-0.18	
-8143	H10	SLES	1	58.6469	30.0925	40.7068	HAL2	8142	0	0	0	0.09	
-8144	H10	SLES	1	60.1993	31.0067	40.7469	HAL2	8142	0	0	0	0.09	
-8145	C11	SLES	1	58.7759	31.7138	39.2468	CTL2	8142	8146	8147	8148	-0.18	
-8146	H11	SLES	1	57.9993	31.2755	38.5789	HAL2	8145	0	0	0	0.09	
-8147	H11	SLES	1	59.5555	32.1789	38.601	HAL2	8145	0	0	0	0.09	
-8148	C12	SLES	1	58.1218	32.8193	40.1154	CTL3	8145	8149	8150	8151	-0.27	
-8149	H12	SLES	1	57.0377	32.9041	39.8812	HAL3	8148	0	0	0	0.09	
-8150	H12	SLES	1	58.6048	33.8019	39.9187	HAL3	8148	0	0	0	0.09	
-8151	H12	SLES	1	58.2333	32.5797	41.1953	HAL3	8148	0	0	0	0.09	
-8152	NA	SLES	1	76.558	20.2939	29.73	NA	0	0	0	0	1	
-8153	S	SLES	1	77.2386	20.818	33.2814	SL	8154	8155	8156	8157	1.33	
-8154	OS1	SLES	1	76.059	21.6318	32.4134	OSL	8153	8158	0	0	-0.28	
-8155	OS2	SLES	1	76.9373	19.407	33.1563	O2L	8153	0	0	0	-0.65	
-8156	OS3	SLES	1	78.496	21.1128	32.6266	O2L	8153	0	0	0	-0.65	
-8157	OS4	SLES	1	77.3144	21.1856	34.6863	O2L	8153	0	0	0	-0.65	
-8158	C2	SLES	1	75.1989	22.4287	33.333	CC32A	8154	8159	8160	8161	-0.11	
-8159	H2A	SLES	1	74.758	21.7715	34.1336	HCA2	8158	0	0	0	0.09	
-8160	H2B	SLES	1	75.8337	23.22	33.8197	HCA2	8158	0	0	0	0.09	
-8161	C1	SLES	1	74.0228	23.1196	32.4929	CC32A	8158	8162	8163	8164	-0.01	
-8162	H1B	SLES	1	73.4464	22.3434	31.9389	HCA2	8161	0	0	0	0.09	
-8163	H1A	SLES	1	74.4535	23.8398	31.7588	HCA2	8161	0	0	0	0.09	
-8164	O1	SLES	1	72.9699	23.8879	33.1849	OC30A	8161	8165	0	0	-0.34	
-8165	C2	SLES	1	73.2634	24.3175	34.531	CC32A	8164	8166	8167	8168	-0.01	
-8166	H2A	SLES	1	73.4179	23.3501	35.0477	HCA2	8165	0	0	0	0.09	
-8167	H2B	SLES	1	74.2487	24.8221	34.4121	HCA2	8165	0	0	0	0.09	
-8168	C1	SLES	1	72.3135	25.2166	35.3835	CC32A	8165	8169	8170	8171	-0.01	
-8169	H1B	SLES	1	71.6244	24.577	35.977	HCA2	8168	0	0	0	0.09	
-8170	H1A	SLES	1	72.9185	25.8295	36.0813	HCA2	8168	0	0	0	0.09	
-8171	O1	SLES	1	71.3502	26.1498	34.7972	OC30A	8168	8172	0	0	-0.34	
-8172	C1	SLES	1	71.0567	27.3396	35.6172	CTL2	8171	8173	8174	8175	-0.18	
-8173	H11	SLES	1	71.5054	27.1683	36.6123	HAL2	8172	0	0	0	0.09	
-8174	H12	SLES	1	71.6466	28.1175	35.0899	HAL2	8172	0	0	0	0.09	
-8175	C2	SLES	1	69.5622	27.8236	35.7858	CTL2	8172	8176	8177	8178	-0.18	
-8176	H21	SLES	1	68.8881	27.1194	35.2488	HAL2	8175	0	0	0	0.09	
-8177	H22	SLES	1	69.4522	28.8266	35.3182	HAL2	8175	0	0	0	0.09	
-8178	C3	SLES	1	69.1129	27.9081	37.3251	CTL2	8175	8179	8180	8181	-0.18	
-8179	H31	SLES	1	68.4654	27.0344	37.5609	HAL2	8178	0	0	0	0.09	
-8180	H32	SLES	1	70.0135	27.847	37.9682	HAL2	8178	0	0	0	0.09	
-8181	C4	SLES	1	68.3248	29.2396	37.6686	CTL2	8178	8182	8183	8184	-0.18	
-8182	H41	SLES	1	67.2398	29.0117	37.7224	HAL2	8181	0	0	0	0.09	
-8183	H42	SLES	1	68.4797	29.9766	36.8513	HAL2	8181	0	0	0	0.09	
-8184	C5	SLES	1	68.7906	29.8906	39.0486	CTL2	8181	8185	8186	8187	-0.18	
-8185	H51	SLES	1	69.3313	29.1246	39.6471	HAL2	8184	0	0	0	0.09	
-8186	H52	SLES	1	69.5006	30.7223	38.8357	HAL2	8184	0	0	0	0.09	
-8187	C6	SLES	1	67.5889	30.4485	39.9005	CTL2	8184	8188	8189	8190	-0.18	
-8188	H61	SLES	1	67.0124	29.5928	40.3184	HAL2	8187	0	0	0	0.09	
-8189	H62	SLES	1	67.9944	31.0388	40.7553	HAL2	8187	0	0	0	0.09	
-8190	C7	SLES	1	66.626	31.3538	39.0691	CTL2	8187	8191	8192	8193	-0.18	
-8191	H71	SLES	1	65.9284	30.7073	38.4918	HAL2	8190	0	0	0	0.09	
-8192	H72	SLES	1	67.2229	31.9492	38.3427	HAL2	8190	0	0	0	0.09	
-8193	C8	SLES	1	65.8004	32.3191	39.9555	CTL2	8190	8194	8195	8196	-0.18	
-8194	H81	SLES	1	65.3832	31.7531	40.8198	HAL2	8193	0	0	0	0.09	
-8195	H82	SLES	1	66.4735	33.1113	40.3556	HAL2	8193	0	0	0	0.09	
-8196	C9	SLES	1	64.6378	32.9871	39.1793	CTL2	8193	8197	8198	8199	-0.18	
-8197	H91	SLES	1	63.9816	32.1937	38.7547	HAL2	8196	0	0	0	0.09	
-8198	H92	SLES	1	65.0576	33.5753	38.3325	HAL2	8196	0	0	0	0.09	
-8199	C10	SLES	1	63.7861	33.9223	40.0701	CTL2	8196	8200	8201	8202	-0.18	
-8200	H10	SLES	1	63.3469	33.3292	40.9045	HAL2	8199	0	0	0	0.09	
-8201	H10	SLES	1	64.4455	34.7027	40.5128	HAL2	8199	0	0	0	0.09	
-8202	C11	SLES	1	62.6415	34.6131	39.2825	CTL2	8199	8203	8204	8205	-0.18	
-8203	H11	SLES	1	61.9809	33.8286	38.8474	HAL2	8202	0	0	0	0.09	
-8204	H11	SLES	1	63.0841	35.1902	38.4387	HAL2	8202	0	0	0	0.09	
-8205	C12	SLES	1	61.7789	35.5708	40.1446	CTL3	8202	8206	8207	8208	-0.27	
-8206	H12	SLES	1	60.7156	35.2441	40.139	HAL3	8205	0	0	0	0.09	
-8207	H12	SLES	1	61.8334	36.6069	39.7434	HAL3	8205	0	0	0	0.09	
-8208	H12	SLES	1	62.1417	35.5783	41.1955	HAL3	8205	0	0	0	0.09	
-8209	NA	SLES	1	82.7772	27.8555	29.953	NA	0	0	0	0	1	
-8210	S	SLES	1	83.6039	29.3216	33.196	SL	8211	8212	8213	8214	1.33	
-8211	OS1	SLES	1	82.122	29.4878	32.4321	OSL	8210	8215	0	0	-0.28	
-8212	OS2	SLES	1	83.8244	27.8991	33.3546	O2L	8210	0	0	0	-0.65	
-8213	OS3	SLES	1	84.5886	29.8743	32.2896	O2L	8210	0	0	0	-0.65	
-8214	OS4	SLES	1	83.6937	29.9838	34.4876	O2L	8210	0	0	0	-0.65	
-8215	C2	SLES	1	81.137	30.1266	33.3498	CC32A	8211	8216	8217	8218	-0.11	
-8216	H2A	SLES	1	81.0553	29.5463	34.3108	HCA2	8215	0	0	0	0.09	
-8217	H2B	SLES	1	81.4898	31.1694	33.5825	HCA2	8215	0	0	0	0.09	
-8218	C1	SLES	1	79.7061	30.1871	32.632	CC32A	8215	8219	8220	8221	-0.01	
-8219	H1B	SLES	1	79.3945	29.1635	32.3211	HCA2	8218	0	0	0	0.09	
-8220	H1A	SLES	1	79.7627	30.836	31.7271	HCA2	8218	0	0	0	0.09	
-8221	O1	SLES	1	78.5282	30.6865	33.3675	OC30A	8218	8222	0	0	-0.34	
-8222	C2	SLES	1	78.7905	31.466	34.5534	CC32A	8221	8223	8224	8225	-0.01	
-8223	H2A	SLES	1	79.3415	30.7402	35.1829	HCA2	8222	0	0	0	0.09	
-8224	H2B	SLES	1	79.5056	32.2341	34.1819	HCA2	8222	0	0	0	0.09	
-8225	C1	SLES	1	77.6779	32.1541	35.4054	CC32A	8222	8226	8227	8228	-0.01	
-8226	H1B	SLES	1	77.3376	31.4626	36.2067	HCA2	8225	0	0	0	0.09	
-8227	H1A	SLES	1	78.091	33.0682	35.877	HCA2	8225	0	0	0	0.09	
-8228	O1	SLES	1	76.3834	32.5626	34.8574	OC30A	8225	8229	0	0	-0.34	
-8229	C1	SLES	1	75.7689	33.7306	35.5146	CTL2	8228	8230	8231	8232	-0.18	
-8230	H11	SLES	1	76.3549	33.936	36.4286	HAL2	8229	0	0	0	0.09	
-8231	H12	SLES	1	75.9744	34.53	34.773	HAL2	8229	0	0	0	0.09	
-8232	C2	SLES	1	74.2286	33.7095	35.866	CTL2	8229	8233	8234	8235	-0.18	
-8233	H21	SLES	1	73.8024	32.7227	35.5774	HAL2	8232	0	0	0	0.09	
-8234	H22	SLES	1	73.7113	34.4933	35.2706	HAL2	8232	0	0	0	0.09	
-8235	C3	SLES	1	73.9503	33.9644	37.4268	CTL2	8232	8236	8237	8238	-0.18	
-8236	H31	SLES	1	73.6945	32.9957	37.911	HAL2	8235	0	0	0	0.09	
-8237	H32	SLES	1	74.8758	34.3474	37.901	HAL2	8235	0	0	0	0.09	
-8238	C4	SLES	1	72.7747	34.9952	37.6865	CTL2	8235	8239	8240	8241	-0.18	
-8239	H41	SLES	1	71.8595	34.4335	37.968	HAL2	8238	0	0	0	0.09	
-8240	H42	SLES	1	72.5609	35.5492	36.7471	HAL2	8238	0	0	0	0.09	
-8241	C5	SLES	1	73.1196	36.0429	38.839	CTL2	8238	8242	8243	8244	-0.18	
-8242	H51	SLES	1	73.9635	35.6488	39.4472	HAL2	8241	0	0	0	0.09	
-8243	H52	SLES	1	73.4509	36.9988	38.3727	HAL2	8241	0	0	0	0.09	
-8244	C6	SLES	1	71.898	36.3333	39.7901	CTL2	8241	8245	8246	8247	-0.18	
-8245	H61	SLES	1	71.7212	35.4437	40.4356	HAL2	8244	0	0	0	0.09	
-8246	H62	SLES	1	72.1518	37.1931	40.4532	HAL2	8244	0	0	0	0.09	
-8247	C7	SLES	1	70.5873	36.6639	39.0085	CTL2	8244	8248	8249	8250	-0.18	
-8248	H71	SLES	1	70.1138	35.7137	38.6757	HAL2	8247	0	0	0	0.09	
-8249	H72	SLES	1	70.8438	37.2557	38.1017	HAL2	8247	0	0	0	0.09	
-8250	C8	SLES	1	69.5693	37.4618	39.8608	CTL2	8247	8251	8252	8253	-0.18	
-8251	H81	SLES	1	69.4834	36.9867	40.8649	HAL2	8250	0	0	0	0.09	
-8252	H82	SLES	1	69.9477	38.4997	40.0024	HAL2	8250	0	0	0	0.09	
-8253	C9	SLES	1	68.1661	37.5194	39.2064	CTL2	8250	8254	8255	8256	-0.18	
-8254	H91	SLES	1	67.8011	36.4808	39.038	HAL2	8253	0	0	0	0.09	
-8255	H92	SLES	1	68.2483	38.0195	38.2151	HAL2	8253	0	0	0	0.09	
-8256	C10	SLES	1	67.1355	38.2818	40.0724	CTL2	8253	8257	8258	8259	-0.18	
-8257	H10	SLES	1	67.0357	37.768	41.0557	HAL2	8256	0	0	0	0.09	
-8258	H10	SLES	1	67.5102	39.3135	40.2598	HAL2	8256	0	0	0	0.09	
-8259	C11	SLES	1	65.7394	38.364	39.4	CTL2	8256	8260	8261	8262	-0.18	
-8260	H11	SLES	1	65.3659	37.3298	39.2209	HAL2	8259	0	0	0	0.09	
-8261	H11	SLES	1	65.8471	38.8622	38.4094	HAL2	8259	0	0	0	0.09	
-8262	C12	SLES	1	64.6874	39.1372	40.2365	CTL3	8259	8263	8264	8265	-0.27	
-8263	H12	SLES	1	63.8218	38.4796	40.4723	HAL3	8262	0	0	0	0.09	
-8264	H12	SLES	1	64.3174	40.0208	39.6709	HAL3	8262	0	0	0	0.09	
-8265	H12	SLES	1	65.135	39.4898	41.1912	HAL3	8262	0	0	0	0.09	
-8266	NA	SLES	1	87.0648	36.795	30.3171	NA	0	0	0	0	1	
-8267	S	SLES	1	87.4706	39.1703	33.0636	SL	8268	8269	8270	8271	1.33	
-8268	OS1	SLES	1	85.9918	38.6403	32.4811	OSL	8267	8272	0	0	-0.28	
-8269	OS2	SLES	1	88.1958	37.9861	33.4749	O2L	8267	0	0	0	-0.65	
-8270	OS3	SLES	1	88.1437	39.7957	31.9444	O2L	8267	0	0	0	-0.65	
-8271	OS4	SLES	1	87.3811	40.1064	34.1727	O2L	8267	0	0	0	-0.65	
-8272	C2	SLES	1	84.8904	39.1031	33.3717	CC32A	8268	8273	8274	8275	-0.11	
-8273	H2A	SLES	1	85.0713	38.7716	34.4321	HCA2	8272	0	0	0	0.09	
-8274	H2B	SLES	1	84.8557	40.2274	33.3421	HCA2	8272	0	0	0	0.09	
-8275	C1	SLES	1	83.4994	38.5049	32.8486	CC32A	8272	8276	8277	8278	-0.01	
-8276	H1B	SLES	1	83.5616	37.3938	32.7931	HCA2	8275	0	0	0	0.09	
-8277	H1A	SLES	1	83.2732	38.9036	31.8323	HCA2	8275	0	0	0	0.09	
-8278	O1	SLES	1	82.2592	38.7327	33.6155	OC30A	8275	8279	0	0	-0.34	
-8279	C2	SLES	1	82.2828	39.8095	34.576	CC32A	8278	8280	8281	8282	-0.01	
-8280	H2A	SLES	1	83.0888	39.4824	35.2616	HCA2	8279	0	0	0	0.09	
-8281	H2B	SLES	1	82.6541	40.6649	33.9679	HCA2	8279	0	0	0	0.09	
-8282	C1	SLES	1	81.0414	40.2585	35.4095	CC32A	8279	8283	8284	8285	-0.01	
-8283	H1B	SLES	1	81.0134	39.7006	36.3708	HCA2	8282	0	0	0	0.09	
-8284	H1A	SLES	1	81.1212	41.3419	35.6299	HCA2	8282	0	0	0	0.09	
-8285	O1	SLES	1	79.6609	40.0633	34.9636	OC30A	8282	8286	0	0	-0.34	
-8286	C1	SLES	1	78.7012	41.0731	35.4467	CTL2	8285	8287	8288	8289	-0.18	
-8287	H11	SLES	1	79.2193	41.6729	36.2167	HAL2	8286	0	0	0	0.09	
-8288	H12	SLES	1	78.5679	41.6975	34.5392	HAL2	8286	0	0	0	0.09	
-8289	C2	SLES	1	77.2914	40.6137	35.9924	CTL2	8286	8290	8291	8292	-0.18	
-8290	H21	SLES	1	77.2347	39.5024	35.966	HAL2	8289	0	0	0	0.09	
-8291	H22	SLES	1	76.4975	41.013	35.3239	HAL2	8289	0	0	0	0.09	
-8292	C3	SLES	1	77.0188	41.1169	37.4927	CTL2	8289	8293	8294	8295	-0.18	
-8293	H31	SLES	1	77.1533	40.2608	38.1909	HAL2	8292	0	0	0	0.09	
-8294	H32	SLES	1	77.7672	41.8908	37.7559	HAL2	8292	0	0	0	0.09	
-8295	C4	SLES	1	75.5657	41.7181	37.6904	CTL2	8292	8296	8297	8298	-0.18	
-8296	H41	SLES	1	74.9293	40.9619	38.1956	HAL2	8295	0	0	0	0.09	
-8297	H42	SLES	1	75.1201	41.9306	36.6948	HAL2	8295	0	0	0	0.09	
-8298	C5	SLES	1	75.5681	43.0595	38.554	CTL2	8295	8299	8300	8301	-0.18	
-8299	H51	SLES	1	76.5268	43.1291	39.1139	HAL2	8298	0	0	0	0.09	
-8300	H52	SLES	1	75.5095	43.9337	37.866	HAL2	8298	0	0	0	0.09	
-8301	C6	SLES	1	74.3733	43.1324	39.5778	CTL2	8298	8302	8303	8304	-0.18	
-8302	H61	SLES	1	74.561	42.4131	40.4063	HAL2	8301	0	0	0	0.09	
-8303	H62	SLES	1	74.3338	44.1572	40.0157	HAL2	8301	0	0	0	0.09	
-8304	C7	SLES	1	72.9939	42.8062	38.9228	CTL2	8301	8305	8306	8307	-0.18	
-8305	H71	SLES	1	72.8779	41.7019	38.8523	HAL2	8304	0	0	0	0.09	
-8306	H72	SLES	1	72.9744	43.2202	37.89	HAL2	8304	0	0	0	0.09	
-8307	C8	SLES	1	71.8013	43.3875	39.7222	CTL2	8304	8308	8309	8310	-0.18	
-8308	H81	SLES	1	71.9426	43.1605	40.8038	HAL2	8307	0	0	0	0.09	
-8309	H82	SLES	1	71.7876	44.4947	39.6019	HAL2	8307	0	0	0	0.09	
-8310	C9	SLES	1	70.4403	42.8109	39.2577	CTL2	8307	8311	8312	8313	-0.18	
-8311	H91	SLES	1	70.4654	41.7013	39.3505	HAL2	8310	0	0	0	0.09	
-8312	H92	SLES	1	70.2872	43.0624	38.184	HAL2	8310	0	0	0	0.09	
-8313	C10	SLES	1	69.2493	43.3587	40.0792	CTL2	8310	8314	8315	8316	-0.18	
-8314	H10	SLES	1	69.3906	43.0869	41.1502	HAL2	8313	0	0	0	0.09	
-8315	H10	SLES	1	69.2368	44.4697	40.005	HAL2	8313	0	0	0	0.09	
-8316	C11	SLES	1	67.8852	42.8027	39.5913	CTL2	8313	8317	8318	8319	-0.18	
-8317	H11	SLES	1	67.9003	41.6918	39.6739	HAL2	8316	0	0	0	0.09	
-8318	H11	SLES	1	67.7566	43.0613	38.5154	HAL2	8316	0	0	0	0.09	
-8319	C12	SLES	1	66.6689	43.3463	40.3848	CTL3	8316	8320	8321	8322	-0.27	
-8320	H12	SLES	1	66.1108	42.5087	40.8585	HAL3	8319	0	0	0	0.09	
-8321	H12	SLES	1	65.9779	43.8935	39.7061	HAL3	8319	0	0	0	0.09	
-8322	H12	SLES	1	67.0071	44.0428	41.1826	HAL3	8319	0	0	0	0.09	
-8323	NA	SLES	1	83.0277	46.6805	20.999	NA	0	0	0	0	1	
-8324	S	SLES	1	83.0945	49.6329	23.1506	SL	8325	8326	8327	8328	1.33	
-8325	OS1	SLES	1	81.8588	48.5015	23.1338	OSL	8324	8329	0	0	-0.28	
-8326	OS2	SLES	1	84.3084	48.9074	23.463	O2L	8324	0	0	0	-0.65	
-8327	OS3	SLES	1	83.1714	50.1654	21.8063	O2L	8324	0	0	0	-0.65	
-8328	OS4	SLES	1	82.9065	50.7166	24.1019	O2L	8324	0	0	0	-0.65	
-8329	C2	SLES	1	80.9128	48.7537	24.2571	CC32A	8325	8330	8331	8332	-0.11	
-8330	H2A	SLES	1	81.4597	48.769	25.2409	HCA2	8329	0	0	0	0.09	
-8331	H2B	SLES	1	80.4252	49.7548	24.0955	HCA2	8329	0	0	0	0.09	
-8332	C1	SLES	1	79.7964	47.605	24.2775	CC32A	8329	8333	8334	8335	-0.01	
-8333	H1B	SLES	1	80.2827	46.605	24.3488	HCA2	8332	0	0	0	0.09	
-8334	H1A	SLES	1	79.1932	47.6455	23.3407	HCA2	8332	0	0	0	0.09	
-8335	O1	SLES	1	78.7921	47.5663	25.3581	OC30A	8332	8336	0	0	-0.34	
-8336	C2	SLES	1	78.6122	48.7812	26.116	CC32A	8335	8337	8338	8339	-0.01	
-8337	H2A	SLES	1	79.6204	48.927	26.5508	HCA2	8336	0	0	0	0.09	
-8338	H2B	SLES	1	78.4527	49.5404	25.3175	HCA2	8336	0	0	0	0.09	
-8339	C1	SLES	1	77.5342	48.9589	27.2312	CC32A	8336	8340	8341	8342	-0.01	
-8340	H1B	SLES	1	77.963	48.6728	28.2163	HCA2	8339	0	0	0	0.09	
-8341	H1A	SLES	1	77.2242	50.0222	27.2742	HCA2	8339	0	0	0	0.09	
-8342	O1	SLES	1	76.2843	48.198	27.269	OC30A	8339	8343	0	0	-0.34	
-8343	C1	SLES	1	75.1471	48.898	27.8943	CTL2	8342	8344	8345	8346	-0.18	
-8344	H11	SLES	1	75.5499	49.8054	28.3794	HAL2	8343	0	0	0	0.09	
-8345	H12	SLES	1	74.5619	49.2014	27.0017	HAL2	8343	0	0	0	0.09	
-8346	C2	SLES	1	74.2147	48.1243	28.9083	CTL2	8343	8347	8348	8349	-0.18	
-8347	H21	SLES	1	74.6029	47.0901	29.0442	HAL2	8346	0	0	0	0.09	
-8348	H22	SLES	1	73.1924	48.0523	28.4765	HAL2	8346	0	0	0	0.09	
-8349	C3	SLES	1	74.1317	48.8454	30.3406	CTL2	8346	8350	8351	8352	-0.18	
-8350	H31	SLES	1	74.7606	48.2821	31.0656	HAL2	8349	0	0	0	0.09	
-8351	H32	SLES	1	74.5471	49.8692	30.2543	HAL2	8349	0	0	0	0.09	
-8352	C4	SLES	1	72.6532	48.9359	30.9043	CTL2	8349	8353	8354	8355	-0.18	
-8353	H41	SLES	1	72.5139	48.1506	31.6763	HAL2	8352	0	0	0	0.09	
-8354	H42	SLES	1	71.9354	48.7366	30.0797	HAL2	8352	0	0	0	0.09	
-8355	C5	SLES	1	72.3256	50.3604	31.5435	CTL2	8352	8356	8357	8358	-0.18	
-8356	H51	SLES	1	73.2799	50.8888	31.7612	HAL2	8355	0	0	0	0.09	
-8357	H52	SLES	1	71.759	50.9688	30.802	HAL2	8355	0	0	0	0.09	
-8358	C6	SLES	1	71.4848	50.2583	32.8716	CTL2	8355	8359	8360	8361	-0.18	
-8359	H61	SLES	1	72.1373	49.8686	33.685	HAL2	8358	0	0	0	0.09	
-8360	H62	SLES	1	71.1448	51.2793	33.1642	HAL2	8358	0	0	0	0.09	
-8361	C7	SLES	1	70.2382	49.3289	32.7292	CTL2	8358	8362	8363	8364	-0.18	
-8362	H71	SLES	1	70.5606	48.27	32.8413	HAL2	8361	0	0	0	0.09	
-8363	H72	SLES	1	69.8078	49.4508	31.7103	HAL2	8361	0	0	0	0.09	
-8364	C8	SLES	1	69.1423	49.6352	33.7801	CTL2	8361	8365	8366	8367	-0.18	
-8365	H81	SLES	1	69.6173	49.7367	34.7828	HAL2	8364	0	0	0	0.09	
-8366	H82	SLES	1	68.6583	50.6064	33.5287	HAL2	8364	0	0	0	0.09	
-8367	C9	SLES	1	68.0578	48.5305	33.8434	CTL2	8364	8368	8369	8370	-0.18	
-8368	H91	SLES	1	68.5462	47.5546	34.0656	HAL2	8367	0	0	0	0.09	
-8369	H92	SLES	1	67.5644	48.449	32.8487	HAL2	8367	0	0	0	0.09	
-8370	C10	SLES	1	66.9819	48.8123	34.9188	CTL2	8367	8371	8372	8373	-0.18	
-8371	H10	SLES	1	67.4724	48.8706	35.9173	HAL2	8370	0	0	0	0.09	
-8372	H10	SLES	1	66.5085	49.7983	34.7099	HAL2	8370	0	0	0	0.09	
-8373	C11	SLES	1	65.8809	47.7197	34.9584	CTL2	8370	8374	8375	8376	-0.18	
-8374	H11	SLES	1	66.3585	46.7366	35.1743	HAL2	8373	0	0	0	0.09	
-8375	H11	SLES	1	65.4058	47.6526	33.953	HAL2	8373	0	0	0	0.09	
-8376	C12	SLES	1	64.7776	47.9822	36.016	CTL3	8373	8377	8378	8379	-0.27	
-8377	H12	SLES	1	64.7326	47.1425	36.7442	HAL3	8376	0	0	0	0.09	
-8378	H12	SLES	1	63.7848	48.0775	35.5233	HAL3	8376	0	0	0	0.09	
-8379	H12	SLES	1	64.9893	48.9218	36.5712	HAL3	8376	0	0	0	0.09	
-8380	NA	SLES	1	82.5518	57.2016	21.5861	NA	0	0	0	0	1	
-8381	S	SLES	1	81.003	60.2186	22.946	SL	8382	8383	8384	8385	1.33	
-8382	OS1	SLES	1	80.4576	58.6612	23.2363	OSL	8381	8386	0	0	-0.28	
-8383	OS2	SLES	1	82.3783	60.2606	23.398	O2L	8381	0	0	0	-0.65	
-8384	OS3	SLES	1	80.9507	60.4028	21.5108	O2L	8381	0	0	0	-0.65	
-8385	OS4	SLES	1	80.2326	61.26	23.6068	O2L	8381	0	0	0	-0.65	
-8386	C2	SLES	1	79.3996	58.6721	24.2856	CC32A	8382	8387	8388	8389	-0.11	
-8387	H2A	SLES	1	79.7746	59.171	25.2224	HCA2	8386	0	0	0	0.09	
-8388	H2B	SLES	1	78.5151	59.2477	23.8951	HCA2	8386	0	0	0	0.09	
-8389	C1	SLES	1	78.9631	57.166	24.6134	CC32A	8386	8390	8391	8392	-0.01	
-8390	H1B	SLES	1	79.8548	56.5703	24.9161	HCA2	8389	0	0	0	0.09	
-8391	H1A	SLES	1	78.5078	56.6977	23.7097	HCA2	8389	0	0	0	0.09	
-8392	O1	SLES	1	77.9957	56.8929	25.6939	OC30A	8389	8393	0	0	-0.34	
-8393	C2	SLES	1	77.1894	58.0055	26.1348	CC32A	8392	8394	8395	8396	-0.01	
-8394	H2A	SLES	1	77.9606	58.7134	26.4966	HCA2	8393	0	0	0	0.09	
-8395	H2B	SLES	1	76.7692	58.3908	25.1786	HCA2	8393	0	0	0	0.09	
-8396	C1	SLES	1	76.0519	57.8879	27.1976	CC32A	8393	8397	8398	8399	-0.01	
-8397	H1B	SLES	1	76.4658	58.0751	28.2123	HCA2	8396	0	0	0	0.09	
-8398	H1A	SLES	1	75.2734	58.648	26.986	HCA2	8396	0	0	0	0.09	
-8399	O1	SLES	1	75.3134	56.6496	27.4504	OC30A	8396	8400	0	0	-0.34	
-8400	C1	SLES	1	73.9252	56.8347	27.9116	CTL2	8399	8401	8402	8403	-0.18	
-8401	H11	SLES	1	73.8012	57.9066	28.1498	HAL2	8400	0	0	0	0.09	
-8402	H12	SLES	1	73.3569	56.6077	26.986	HAL2	8400	0	0	0	0.09	
-8403	C2	SLES	1	73.3749	55.9592	29.1061	CTL2	8400	8404	8405	8406	-0.18	
-8404	H21	SLES	1	74.1904	55.3018	29.4822	HAL2	8403	0	0	0	0.09	
-8405	H22	SLES	1	72.5562	55.3077	28.7294	HAL2	8403	0	0	0	0.09	
-8406	C3	SLES	1	72.8206	56.853	30.3195	CTL2	8403	8407	8408	8409	-0.18	
-8407	H31	SLES	1	73.5664	56.8433	31.1454	HAL2	8406	0	0	0	0.09	
-8408	H32	SLES	1	72.7087	57.9004	29.975	HAL2	8406	0	0	0	0.09	
-8409	C4	SLES	1	71.4277	56.3438	30.8785	CTL2	8406	8410	8411	8412	-0.18	
-8410	H41	SLES	1	71.6012	55.7863	31.8226	HAL2	8409	0	0	0	0.09	
-8411	H42	SLES	1	70.9744	55.6426	30.1452	HAL2	8409	0	0	0	0.09	
-8412	C5	SLES	1	70.4045	57.5358	31.1566	CTL2	8409	8413	8414	8415	-0.18	
-8413	H51	SLES	1	70.969	58.4925	31.2155	HAL2	8412	0	0	0	0.09	
-8414	H52	SLES	1	69.6936	57.6101	30.3021	HAL2	8412	0	0	0	0.09	
-8415	C6	SLES	1	69.586	57.3439	32.4887	CTL2	8412	8416	8417	8418	-0.18	
-8416	H61	SLES	1	70.2617	57.5124	33.3571	HAL2	8415	0	0	0	0.09	
-8417	H62	SLES	1	68.7768	58.11	32.53	HAL2	8415	0	0	0	0.09	
-8418	C7	SLES	1	68.9479	55.9238	32.608	CTL2	8415	8419	8420	8421	-0.18	
-8419	H71	SLES	1	69.7198	55.2083	32.9686	HAL2	8418	0	0	0	0.09	
-8420	H72	SLES	1	68.6135	55.5893	31.6007	HAL2	8418	0	0	0	0.09	
-8421	C8	SLES	1	67.7401	55.8918	33.5773	CTL2	8418	8422	8423	8424	-0.18	
-8422	H81	SLES	1	68.0096	56.4333	34.513	HAL2	8421	0	0	0	0.09	
-8423	H82	SLES	1	66.8818	56.4236	33.107	HAL2	8421	0	0	0	0.09	
-8424	C9	SLES	1	67.3065	54.448	33.9351	CTL2	8421	8425	8426	8427	-0.18	
-8425	H91	SLES	1	68.1738	53.9078	34.3782	HAL2	8424	0	0	0	0.09	
-8426	H92	SLES	1	67.0107	53.9164	33.0027	HAL2	8424	0	0	0	0.09	
-8427	C10	SLES	1	66.1256	54.4105	34.9338	CTL2	8424	8428	8429	8430	-0.18	
-8428	H10	SLES	1	66.4294	54.9219	35.8755	HAL2	8427	0	0	0	0.09	
-8429	H10	SLES	1	65.2653	54.9695	34.5008	HAL2	8427	0	0	0	0.09	
-8430	C11	SLES	1	65.6741	52.9636	35.266	CTL2	8427	8431	8432	8433	-0.18	
-8431	H11	SLES	1	66.5359	52.4107	35.705	HAL2	8430	0	0	0	0.09	
-8432	H11	SLES	1	65.3886	52.4506	34.3193	HAL2	8430	0	0	0	0.09	
-8433	C12	SLES	1	64.48	52.8925	36.2527	CTL3	8430	8434	8435	8436	-0.27	
-8434	H12	SLES	1	64.766	52.3246	37.1654	HAL3	8433	0	0	0	0.09	
-8435	H12	SLES	1	63.6139	52.3831	35.7754	HAL3	8433	0	0	0	0.09	
-8436	H12	SLES	1	64.1665	53.9153	36.5555	HAL3	8433	0	0	0	0.09	
-8437	NA	SLES	1	78.7539	67.447	22.2189	NA	0	0	0	0	1	
-8438	S	SLES	1	75.7812	69.5093	22.7289	SL	8439	8440	8441	8442	1.33	
-8439	OS1	SLES	1	75.9835	67.9687	23.3557	OSL	8438	8443	0	0	-0.28	
-8440	OS2	SLES	1	76.8845	70.3023	23.2301	O2L	8438	0	0	0	-0.65	
-8441	OS3	SLES	1	75.8842	69.3758	21.2908	O2L	8438	0	0	0	-0.65	
-8442	OS4	SLES	1	74.5186	70.1408	23.0778	O2L	8438	0	0	0	-0.65	
-8443	C2	SLES	1	74.8867	67.6531	24.3137	CC32A	8439	8444	8445	8446	-0.11	
-8444	H2A	SLES	1	74.828	68.4346	25.1216	HCA2	8443	0	0	0	0.09	
-8445	H2B	SLES	1	73.9132	67.638	23.7497	HCA2	8443	0	0	0	0.09	
-8446	C1	SLES	1	75.1539	66.2164	24.9703	CC32A	8443	8447	8448	8449	-0.01	
-8447	H1B	SLES	1	76.1574	66.2017	25.4544	HCA2	8446	0	0	0	0.09	
-8448	H1A	SLES	1	75.123	65.4277	24.1828	HCA2	8446	0	0	0	0.09	
-8449	O1	SLES	1	74.2628	65.7091	26.0316	OC30A	8446	8450	0	0	-0.34	
-8450	C2	SLES	1	72.9718	66.3432	26.1485	CC32A	8449	8451	8452	8453	-0.01	
-8451	H2A	SLES	1	73.2545	67.3909	26.37	HCA2	8450	0	0	0	0.09	
-8452	H2B	SLES	1	72.5831	66.2892	25.1066	HCA2	8450	0	0	0	0.09	
-8453	C1	SLES	1	71.8633	65.8816	27.1462	CC32A	8450	8454	8455	8456	-0.01	
-8454	H1B	SLES	1	71.9708	66.4311	28.1067	HCA2	8453	0	0	0	0.09	
-8455	H1A	SLES	1	70.867	66.1087	26.7168	HCA2	8453	0	0	0	0.09	
-8456	O1	SLES	1	71.7555	64.5113	27.6496	OC30A	8453	8457	0	0	-0.34	
-8457	C1	SLES	1	70.3862	64.0739	27.9781	CTL2	8456	8458	8459	8460	-0.18	
-8458	H11	SLES	1	69.7409	64.9703	27.9446	HAL2	8457	0	0	0	0.09	
-8459	H12	SLES	1	70.1484	63.4313	27.1054	HAL2	8457	0	0	0	0.09	
-8460	C2	SLES	1	70.1197	63.2786	29.317	CTL2	8457	8461	8462	8463	-0.18	
-8461	H21	SLES	1	71.0736	63.1875	29.8831	HAL2	8460	0	0	0	0.09	
-8462	H22	SLES	1	69.7718	62.2529	29.065	HAL2	8460	0	0	0	0.09	
-8463	C3	SLES	1	69.0236	63.9923	30.2486	CTL2	8460	8464	8465	8466	-0.18	
-8464	H31	SLES	1	69.5422	64.5018	31.0911	HAL2	8463	0	0	0	0.09	
-8465	H32	SLES	1	68.4954	64.7663	29.6569	HAL2	8463	0	0	0	0.09	
-8466	C4	SLES	1	67.9572	62.979	30.8386	CTL2	8463	8467	8468	8469	-0.18	
-8467	H41	SLES	1	68.2134	62.7631	31.8969	HAL2	8466	0	0	0	0.09	
-8468	H42	SLES	1	68.0087	62.0243	30.2723	HAL2	8466	0	0	0	0.09	
-8469	C5	SLES	1	66.4672	63.5445	30.767	CTL2	8466	8470	8471	8472	-0.18	
-8470	H51	SLES	1	66.5037	64.647	30.6241	HAL2	8469	0	0	0	0.09	
-8471	H52	SLES	1	65.9536	63.1018	29.8831	HAL2	8469	0	0	0	0.09	
-8472	C6	SLES	1	65.6269	63.2256	32.0606	CTL2	8469	8473	8474	8475	-0.18	
-8473	H61	SLES	1	65.9947	63.8605	32.8977	HAL2	8472	0	0	0	0.09	
-8474	H62	SLES	1	64.5598	63.4894	31.8733	HAL2	8472	0	0	0	0.09	
-8475	C7	SLES	1	65.7127	61.725	32.4837	CTL2	8472	8476	8477	8478	-0.18	
-8476	H71	SLES	1	66.6582	61.5602	33.0464	HAL2	8475	0	0	0	0.09	
-8477	H72	SLES	1	65.7417	61.0903	31.5701	HAL2	8475	0	0	0	0.09	
-8478	C8	SLES	1	64.5185	61.2847	33.3665	CTL2	8475	8479	8480	8481	-0.18	
-8479	H81	SLES	1	64.3484	62.0507	34.1575	HAL2	8478	0	0	0	0.09	
-8480	H82	SLES	1	63.6011	61.2304	32.7371	HAL2	8478	0	0	0	0.09	
-8481	C9	SLES	1	64.7543	59.9082	34.0374	CTL2	8478	8482	8483	8484	-0.18	
-8482	H91	SLES	1	65.6879	59.9546	34.6429	HAL2	8481	0	0	0	0.09	
-8483	H92	SLES	1	64.8964	59.1384	33.2458	HAL2	8481	0	0	0	0.09	
-8484	C10	SLES	1	63.5812	59.4817	34.9514	CTL2	8481	8485	8486	8487	-0.18	
-8485	H10	SLES	1	63.454	60.24	35.7573	HAL2	8484	0	0	0	0.09	
-8486	H10	SLES	1	62.6434	59.4566	34.3515	HAL2	8484	0	0	0	0.09	
-8487	C11	SLES	1	63.8071	58.089	35.5973	CTL2	8484	8488	8489	8490	-0.18	
-8488	H11	SLES	1	64.7425	58.1213	36.2016	HAL2	8487	0	0	0	0.09	
-8489	H11	SLES	1	63.9518	57.3374	34.7879	HAL2	8487	0	0	0	0.09	
-8490	C12	SLES	1	62.6402	57.6253	36.5071	CTL3	8487	8491	8492	8493	-0.27	
-8491	H12	SLES	1	63.0042	57.45	37.5434	HAL3	8490	0	0	0	0.09	
-8492	H12	SLES	1	62.2015	56.6789	36.1207	HAL3	8490	0	0	0	0.09	
-8493	H12	SLES	1	61.8423	58.399	36.5378	HAL3	8490	0	0	0	0.09	
-8494	NA	SLES	1	71.6726	76.2746	22.8354	NA	0	0	0	0	1	
-8495	S	SLES	1	68.0517	76.6485	22.5205	SL	8496	8497	8498	8499	1.33	
-8496	OS1	SLES	1	68.8049	75.5001	23.4803	OSL	8495	8500	0	0	-0.28	
-8497	OS2	SLES	1	68.5288	77.9379	22.9759	O2L	8495	0	0	0	-0.65	
-8498	OS3	SLES	1	68.5073	76.4047	21.1679	O2L	8495	0	0	0	-0.65	
-8499	OS4	SLES	1	66.5987	76.6135	22.5669	O2L	8495	0	0	0	-0.65	
-8500	C2	SLES	1	67.8031	74.8074	24.3386	CC32A	8496	8501	8502	8503	-0.11	
-8501	H2A	SLES	1	67.2198	75.5524	24.9485	HCA2	8500	0	0	0	0.09	
-8502	H2B	SLES	1	67.0915	74.244	23.6735	HCA2	8500	0	0	0	0.09	
-8503	C1	SLES	1	68.5577	73.7842	25.3133	CC32A	8500	8504	8505	8506	-0.01	
-8504	H1B	SLES	1	69.3258	74.3267	25.911	HCA2	8503	0	0	0	0.09	
-8505	H1A	SLES	1	69.0627	72.9914	24.7136	HCA2	8503	0	0	0	0.09	
-8506	O1	SLES	1	67.7997	73.0407	26.3383	OC30A	8503	8507	0	0	-0.34	
-8507	C2	SLES	1	66.3702	72.9649	26.1556	CC32A	8506	8508	8509	8510	-0.01	
-8508	H2A	SLES	1	66.0824	74.0341	26.1832	HCA2	8507	0	0	0	0.09	
-8509	H2B	SLES	1	66.2816	72.5965	25.1087	HCA2	8507	0	0	0	0.09	
-8510	C1	SLES	1	65.4174	72.1457	27.082	CC32A	8507	8511	8512	8513	-0.01	
-8511	H1B	SLES	1	65.0521	72.7918	27.9097	HCA2	8510	0	0	0	0.09	
-8512	H1A	SLES	1	64.5457	71.7964	26.4931	HCA2	8510	0	0	0	0.09	
-8513	O1	SLES	1	65.851	70.9756	27.8472	OC30A	8510	8514	0	0	-0.34	
-8514	C1	SLES	1	64.8045	69.965	28.0873	CTL2	8513	8515	8516	8517	-0.18	
-8515	H11	SLES	1	63.8417	70.4145	27.784	HAL2	8514	0	0	0	0.09	
-8516	H12	SLES	1	65.0819	69.1854	27.3481	HAL2	8514	0	0	0	0.09	
-8517	C2	SLES	1	64.6583	69.3161	29.5205	CTL2	8514	8518	8519	8520	-0.18	
-8518	H21	SLES	1	65.4017	69.7787	30.2077	HAL2	8517	0	0	0	0.09	
-8519	H22	SLES	1	64.8863	68.23	29.4504	HAL2	8517	0	0	0	0.09	
-8520	C3	SLES	1	63.187	69.5068	30.1349	CTL2	8517	8521	8522	8523	-0.18	
-8521	H31	SLES	1	63.2193	70.3064	30.9082	HAL2	8520	0	0	0	0.09	
-8522	H32	SLES	1	62.5001	69.8389	29.3311	HAL2	8520	0	0	0	0.09	
-8523	C4	SLES	1	62.6119	68.1824	30.7885	CTL2	8520	8524	8525	8526	-0.18	
-8524	H41	SLES	1	62.7077	68.2551	31.892	HAL2	8523	0	0	0	0.09	
-8525	H42	SLES	1	63.2177	67.3149	30.4487	HAL2	8523	0	0	0	0.09	
-8526	C5	SLES	1	61.0829	67.9258	30.4129	CTL2	8523	8527	8528	8529	-0.18	
-8527	H51	SLES	1	60.6351	68.8753	30.045	HAL2	8526	0	0	0	0.09	
-8528	H52	SLES	1	61.0328	67.1809	29.586	HAL2	8526	0	0	0	0.09	
-8529	C6	SLES	1	60.2322	67.3986	31.6293	CTL2	8526	8530	8531	8532	-0.18	
-8530	H61	SLES	1	60.0777	68.2312	32.3518	HAL2	8529	0	0	0	0.09	
-8531	H62	SLES	1	59.2312	67.0763	31.2584	HAL2	8529	0	0	0	0.09	
-8532	C7	SLES	1	60.9097	66.2018	32.3686	CTL2	8529	8533	8534	8535	-0.18	
-8533	H71	SLES	1	61.6806	66.5963	33.0671	HAL2	8532	0	0	0	0.09	
-8534	H72	SLES	1	61.4219	65.5554	31.6214	HAL2	8532	0	0	0	0.09	
-8535	C8	SLES	1	59.8976	65.3443	33.1684	CTL2	8532	8536	8537	8538	-0.18	
-8536	H81	SLES	1	59.2293	66.0188	33.7512	HAL2	8535	0	0	0	0.09	
-8537	H82	SLES	1	59.2665	64.7667	32.4552	HAL2	8535	0	0	0	0.09	
-8538	C9	SLES	1	60.5945	64.3591	34.1402	CTL2	8535	8539	8540	8541	-0.18	
-8539	H91	SLES	1	61.2484	64.935	34.8339	HAL2	8538	0	0	0	0.09	
-8540	H92	SLES	1	61.2406	63.6674	33.5541	HAL2	8538	0	0	0	0.09	
-8541	C10	SLES	1	59.5876	63.5279	34.9699	CTL2	8538	8542	8543	8544	-0.18	
-8542	H10	SLES	1	58.9565	64.2188	35.5742	HAL2	8541	0	0	0	0.09	
-8543	H10	SLES	1	58.919	62.969	34.2766	HAL2	8541	0	0	0	0.09	
-8544	C11	SLES	1	60.2886	62.5209	35.9197	CTL2	8541	8545	8546	8547	-0.18	
-8545	H11	SLES	1	60.9509	63.0852	36.6155	HAL2	8544	0	0	0	0.09	
-8546	H11	SLES	1	60.9324	61.8439	35.3128	HAL2	8544	0	0	0	0.09	
-8547	C12	SLES	1	59.3051	61.6601	36.7541	CTL3	8544	8548	8549	8550	-0.27	
-8548	H12	SLES	1	59.4796	61.8181	37.8412	HAL3	8547	0	0	0	0.09	
-8549	H12	SLES	1	59.4467	60.5806	36.5257	HAL3	8547	0	0	0	0.09	
-8550	H12	SLES	1	58.254	61.9367	36.52	HAL3	8547	0	0	0	0.09	
-8551	NA	SLES	1	61.8136	82.5117	23.3753	NA	0	0	0	0	1	
-8552	S	SLES	1	58.6304	81.0459	22.3412	SL	8553	8554	8555	8556	1.33	
-8553	OS1	SLES	1	59.5754	80.467	23.5978	OSL	8552	8557	0	0	-0.28	
-8554	OS2	SLES	1	58.3277	82.4258	22.6601	O2L	8552	0	0	0	-0.65	
-8555	OS3	SLES	1	59.4573	80.985	21.1541	O2L	8552	0	0	0	-0.65	
-8556	OS4	SLES	1	57.3976	80.3059	22.1239	O2L	8552	0	0	0	-0.65	
-8557	C2	SLES	1	58.8377	79.419	24.358	CC32A	8553	8558	8559	8560	-0.11	
-8558	H2A	SLES	1	57.8476	79.8139	24.7199	HCA2	8557	0	0	0	0.09	
-8559	H2B	SLES	1	58.6534	78.5447	23.6741	HCA2	8557	0	0	0	0.09	
-8560	C1	SLES	1	59.7222	78.9505	25.6088	CC32A	8557	8561	8562	8563	-0.01	
-8561	H1B	SLES	1	59.9805	79.8307	26.2413	HCA2	8560	0	0	0	0.09	
-8562	H1A	SLES	1	60.6653	78.4762	25.2502	HCA2	8560	0	0	0	0.09	
-8563	O1	SLES	1	59.1757	77.9868	26.5838	OC30A	8560	8564	0	0	-0.34	
-8564	C2	SLES	1	58.037	77.2106	26.1554	CC32A	8563	8565	8566	8567	-0.01	
-8565	H2A	SLES	1	57.2879	78.0013	25.9547	HCA2	8564	0	0	0	0.09	
-8566	H2B	SLES	1	58.3846	76.7909	25.1846	HCA2	8564	0	0	0	0.09	
-8567	C1	SLES	1	57.3834	76.0802	27.0113	CC32A	8564	8568	8569	8570	-0.01	
-8568	H1B	SLES	1	56.5727	76.5076	27.6407	HCA2	8567	0	0	0	0.09	
-8569	H1A	SLES	1	56.9449	75.3178	26.3368	HCA2	8567	0	0	0	0.09	
-8570	O1	SLES	1	58.1131	75.3154	28.0239	OC30A	8567	8571	0	0	-0.34	
-8571	C1	SLES	1	57.6338	73.9361	28.2286	CTL2	8570	8572	8573	8574	-0.18	
-8572	H11	SLES	1	56.6774	73.8393	27.6836	HAL2	8571	0	0	0	0.09	
-8573	H12	SLES	1	58.4105	73.3544	27.6905	HAL2	8571	0	0	0	0.09	
-8574	C2	SLES	1	57.4664	73.3763	29.6965	CTL2	8571	8575	8576	8577	-0.18	
-8575	H21	SLES	1	57.7193	74.1797	30.4241	HAL2	8574	0	0	0	0.09	
-8576	H22	SLES	1	58.1827	72.5393	29.8479	HAL2	8574	0	0	0	0.09	
-8577	C3	SLES	1	55.9765	72.8539	29.9895	CTL2	8574	8578	8579	8580	-0.18	
-8578	H31	SLES	1	55.4461	73.6067	30.6144	HAL2	8577	0	0	0	0.09	
-8579	H32	SLES	1	55.4301	72.7634	29.0296	HAL2	8577	0	0	0	0.09	
-8580	C4	SLES	1	55.9453	71.4546	30.7331	CTL2	8577	8581	8582	8583	-0.18	
-8581	H41	SLES	1	55.7277	71.6236	31.8084	HAL2	8580	0	0	0	0.09	
-8582	H42	SLES	1	56.9466	70.9785	30.6571	HAL2	8580	0	0	0	0.09	
-8583	C5	SLES	1	54.8523	70.462	30.1289	CTL2	8580	8584	8585	8586	-0.18	
-8584	H51	SLES	1	54.1177	71.0492	29.5348	HAL2	8583	0	0	0	0.09	
-8585	H52	SLES	1	55.3549	69.7454	29.4398	HAL2	8583	0	0	0	0.09	
-8586	C6	SLES	1	54.0802	69.6513	31.237	CTL2	8583	8587	8588	8589	-0.18	
-8587	H61	SLES	1	53.3876	70.3386	31.7729	HAL2	8586	0	0	0	0.09	
-8588	H62	SLES	1	53.4664	68.8606	30.7454	HAL2	8586	0	0	0	0.09	
-8589	C7	SLES	1	55.0363	68.9814	32.2738	CTL2	8586	8590	8591	8592	-0.18	
-8590	H71	SLES	1	55.3416	69.7396	33.0286	HAL2	8589	0	0	0	0.09	
-8591	H72	SLES	1	55.953	68.6302	31.7496	HAL2	8589	0	0	0	0.09	
-8592	C8	SLES	1	54.3805	67.782	33.0023	CTL2	8589	8593	8594	8595	-0.18	
-8593	H81	SLES	1	53.3573	68.0724	33.3337	HAL2	8592	0	0	0	0.09	
-8594	H82	SLES	1	54.283	66.9321	32.2889	HAL2	8592	0	0	0	0.09	
-8595	C9	SLES	1	55.1988	67.3181	34.2334	CTL2	8592	8596	8597	8598	-0.18	
-8596	H91	SLES	1	55.3212	68.1765	34.9324	HAL2	8595	0	0	0	0.09	
-8597	H92	SLES	1	56.2119	67.0016	33.8975	HAL2	8595	0	0	0	0.09	
-8598	C10	SLES	1	54.528	66.1456	34.9876	CTL2	8595	8599	8600	8601	-0.18	
-8599	H10	SLES	1	53.5237	66.4697	35.3441	HAL2	8598	0	0	0	0.09	
-8600	H10	SLES	1	54.3851	65.2948	34.2836	HAL2	8598	0	0	0	0.09	
-8601	C11	SLES	1	55.3652	65.6635	36.2018	CTL2	8598	8602	8603	8604	-0.18	
-8602	H11	SLES	1	55.4996	66.5162	36.9062	HAL2	8601	0	0	0	0.09	
-8603	H11	SLES	1	56.3745	65.3576	35.8429	HAL2	8601	0	0	0	0.09	
-8604	C12	SLES	1	54.727	64.4771	36.9695	CTL3	8601	8605	8606	8607	-0.27	
-8605	H12	SLES	1	54.5408	64.758	38.0296	HAL3	8604	0	0	0	0.09	
-8606	H12	SLES	1	55.4047	63.5951	36.9505	HAL3	8604	0	0	0	0.09	
-8607	H12	SLES	1	53.7592	64.1902	36.5036	HAL3	8604	0	0	0	0.09	
-8608	NA	SLES	1	50.1713	85.188	23.7858	NA	0	0	0	0	1	
-8609	S	SLES	1	48.4237	82.3936	22.2086	SL	8610	8611	8612	8613	1.33	
-8610	OS1	SLES	1	49.1892	82.3127	23.6968	OSL	8609	8614	0	0	-0.28	
-8611	OS2	SLES	1	47.4369	83.4484	22.3138	O2L	8609	0	0	0	-0.65	
-8612	OS3	SLES	1	49.4434	82.7671	21.2508	O2L	8609	0	0	0	-0.65	
-8613	OS4	SLES	1	47.7834	81.1562	21.7922	O2L	8609	0	0	0	-0.65	
-8614	C2	SLES	1	48.8739	81.0213	24.3699	CC32A	8610	8615	8616	8617	-0.11	
-8615	H2A	SLES	1	47.7605	80.881	24.4583	HCA2	8614	0	0	0	0.09	
-8616	H2B	SLES	1	49.299	80.183	23.7513	HCA2	8614	0	0	0	0.09	
-8617	C1	SLES	1	49.5374	81.008	25.828	CC32A	8614	8618	8619	8620	-0.01	
-8618	H1B	SLES	1	49.1848	81.8885	26.4129	HCA2	8617	0	0	0	0.09	
-8619	H1A	SLES	1	50.6478	81.0561	25.74	HCA2	8617	0	0	0	0.09	
-8620	O1	SLES	1	49.2915	79.8775	26.7442	OC30A	8617	8621	0	0	-0.34	
-8621	C2	SLES	1	48.7997	78.6587	26.1481	CC32A	8620	8622	8623	8624	-0.01	
-8622	H2A	SLES	1	47.8411	78.9946	25.7066	HCA2	8621	0	0	0	0.09	
-8623	H2B	SLES	1	49.5303	78.4818	25.3269	HCA2	8621	0	0	0	0.09	
-8624	C1	SLES	1	48.5712	77.3335	26.941	CC32A	8621	8625	8626	8627	-0.01	
-8625	H1B	SLES	1	47.5286	77.3017	27.3259	HCA2	8624	0	0	0	0.09	
-8626	H1A	SLES	1	48.7258	76.4702	26.2631	HCA2	8624	0	0	0	0.09	
-8627	O1	SLES	1	49.3021	76.9917	28.1624	OC30A	8624	8628	0	0	-0.34	
-8628	C1	SLES	1	49.4984	75.5479	28.388	CTL2	8627	8629	8630	8631	-0.18	
-8629	H11	SLES	1	48.8683	75.0147	27.6533	HAL2	8628	0	0	0	0.09	
-8630	H12	SLES	1	50.5627	75.4258	28.0991	HAL2	8628	0	0	0	0.09	
-8631	C2	SLES	1	49.2615	74.9422	29.8279	CTL2	8628	8632	8633	8634	-0.18	
-8632	H21	SLES	1	48.9174	75.7505	30.5113	HAL2	8631	0	0	0	0.09	
-8633	H22	SLES	1	50.2264	74.5511	30.2186	HAL2	8631	0	0	0	0.09	
-8634	C3	SLES	1	48.1756	73.7593	29.8267	CTL2	8631	8635	8636	8637	-0.18	
-8635	H31	SLES	1	47.2177	74.1478	30.2386	HAL2	8634	0	0	0	0.09	
-8636	H32	SLES	1	47.9913	73.4391	28.7818	HAL2	8634	0	0	0	0.09	
-8637	C4	SLES	1	48.6286	72.5013	30.6778	CTL2	8634	8638	8639	8640	-0.18	
-8638	H41	SLES	1	48.1009	72.5189	31.6543	HAL2	8637	0	0	0	0.09	
-8639	H42	SLES	1	49.7197	72.5691	30.877	HAL2	8637	0	0	0	0.09	
-8640	C5	SLES	1	48.3209	71.1192	29.9428	CTL2	8637	8641	8642	8643	-0.18	
-8641	H51	SLES	1	47.5672	71.2931	29.1434	HAL2	8640	0	0	0	0.09	
-8642	H52	SLES	1	49.254	70.7504	29.4589	HAL2	8640	0	0	0	0.09	
-8643	C6	SLES	1	47.779	70.0107	30.922	CTL2	8640	8644	8645	8646	-0.18	
-8644	H61	SLES	1	46.7366	70.2658	31.2175	HAL2	8643	0	0	0	0.09	
-8645	H62	SLES	1	47.7539	69.0339	30.3847	HAL2	8643	0	0	0	0.09	
-8646	C7	SLES	1	48.6509	69.8607	32.2087	CTL2	8643	8647	8648	8649	-0.18	
-8647	H71	SLES	1	48.3657	70.6541	32.9347	HAL2	8646	0	0	0	0.09	
-8648	H72	SLES	1	49.7213	70.0077	31.9422	HAL2	8646	0	0	0	0.09	
-8649	C8	SLES	1	48.4843	68.4769	32.8844	CTL2	8646	8650	8651	8652	-0.18	
-8650	H81	SLES	1	47.3996	68.2298	32.946	HAL2	8649	0	0	0	0.09	
-8651	H82	SLES	1	48.9784	67.7025	32.2545	HAL2	8649	0	0	0	0.09	
-8652	C9	SLES	1	49.0943	68.4362	34.308	CTL2	8649	8653	8654	8655	-0.18	
-8653	H91	SLES	1	48.6207	69.2304	34.9288	HAL2	8652	0	0	0	0.09	
-8654	H92	SLES	1	50.1838	68.6557	34.2424	HAL2	8652	0	0	0	0.09	
-8655	C10	SLES	1	48.896	67.0681	35.0026	CTL2	8652	8656	8657	8658	-0.18	
-8656	H10	SLES	1	47.8054	66.8591	35.0895	HAL2	8655	0	0	0	0.09	
-8657	H10	SLES	1	49.35	66.2708	34.3716	HAL2	8655	0	0	0	0.09	
-8658	C11	SLES	1	49.5349	67.0211	36.4159	CTL2	8655	8659	8660	8661	-0.18	
-8659	H11	SLES	1	49.0729	67.8159	37.0452	HAL2	8658	0	0	0	0.09	
-8660	H11	SLES	1	50.6218	67.2485	36.326	HAL2	8658	0	0	0	0.09	
-8661	C12	SLES	1	49.3675	65.6562	37.1324	CTL3	8658	8662	8663	8664	-0.27	
-8662	H12	SLES	1	48.8172	65.7873	38.0901	HAL3	8661	0	0	0	0.09	
-8663	H12	SLES	1	50.3628	65.2112	37.3537	HAL3	8661	0	0	0	0.09	
-8664	H12	SLES	1	48.7982	64.9493	36.4904	HAL3	8661	0	0	0	0.09	
-8665	NA	SLES	1	38.1209	83.7678	24.0267	NA	0	0	0	0	1	
-8666	S	SLES	1	38.3458	80.6495	22.1357	SL	8667	8668	8669	8670	1.33	
-8667	OS1	SLES	1	38.6966	80.7944	23.7676	OSL	8666	8671	0	0	-0.28	
-8668	OS2	SLES	1	36.9781	81.0963	21.9707	O2L	8666	0	0	0	-0.65	
-8669	OS3	SLES	1	39.245	81.5527	21.4485	O2L	8666	0	0	0	-0.65	
-8670	OS4	SLES	1	38.4948	79.3041	21.6044	O2L	8666	0	0	0	-0.65	
-8671	C2	SLES	1	38.9006	79.4483	24.3732	CC32A	8667	8672	8673	8674	-0.11	
-8672	H2A	SLES	1	38.006	78.7904	24.1892	HCA2	8671	0	0	0	0.09	
-8673	H2B	SLES	1	39.8045	78.976	23.8977	HCA2	8671	0	0	0	0.09	
-8674	C1	SLES	1	39.1393	79.6072	25.9493	CC32A	8671	8675	8676	8677	-0.01	
-8675	H1B	SLES	1	38.2841	80.154	26.4089	HCA2	8674	0	0	0	0.09	
-8676	H1A	SLES	1	40.0758	80.1829	26.1351	HCA2	8674	0	0	0	0.09	
-8677	O1	SLES	1	39.2695	78.4109	26.8037	OC30A	8674	8678	0	0	-0.34	
-8678	C2	SLES	1	39.5758	77.1697	26.1343	CC32A	8677	8679	8680	8681	-0.01	
-8679	H2A	SLES	1	38.7021	77.0539	25.4634	HCA2	8678	0	0	0	0.09	
-8680	H2B	SLES	1	40.4649	77.4409	25.5217	HCA2	8678	0	0	0	0.09	
-8681	C1	SLES	1	39.8424	75.8233	26.878	CC32A	8678	8682	8683	8684	-0.01	
-8682	H1B	SLES	1	38.8884	75.2648	26.9963	HCA2	8681	0	0	0	0.09	
-8683	H1A	SLES	1	40.5428	75.207	26.2794	HCA2	8681	0	0	0	0.09	
-8684	O1	SLES	1	40.35	75.7496	28.249	OC30A	8681	8685	0	0	-0.34	
-8685	C1	SLES	1	41.1616	74.5559	28.5499	CTL2	8684	8686	8687	8688	-0.18	
-8686	H11	SLES	1	41.0514	73.8633	27.696	HAL2	8685	0	0	0	0.09	
-8687	H12	SLES	1	42.1866	74.9806	28.5338	HAL2	8685	0	0	0	0.09	
-8688	C2	SLES	1	40.928	73.7721	29.9018	CTL2	8685	8689	8690	8691	-0.18	
-8689	H21	SLES	1	40.0926	74.2501	30.4606	HAL2	8688	0	0	0	0.09	
-8690	H22	SLES	1	41.845	73.8475	30.5262	HAL2	8688	0	0	0	0.09	
-8691	C3	SLES	1	40.5798	72.2229	29.6623	CTL2	8688	8692	8693	8694	-0.18	
-8692	H31	SLES	1	39.4886	72.0698	29.8175	HAL2	8691	0	0	0	0.09	
-8693	H32	SLES	1	40.8142	71.9581	28.612	HAL2	8691	0	0	0	0.09	
-8694	C4	SLES	1	41.3777	71.2519	30.628	CTL2	8691	8695	8696	8697	-0.18	
-8695	H41	SLES	1	40.7021	70.9219	31.4446	HAL2	8694	0	0	0	0.09	
-8696	H42	SLES	1	42.2235	71.8076	31.087	HAL2	8694	0	0	0	0.09	
-8697	C5	SLES	1	41.9499	69.9684	29.8729	CTL2	8694	8698	8699	8700	-0.18	
-8698	H51	SLES	1	41.4086	69.8428	28.9092	HAL2	8697	0	0	0	0.09	
-8699	H52	SLES	1	43.0269	70.1341	29.6414	HAL2	8697	0	0	0	0.09	
-8700	C6	SLES	1	41.8047	68.6453	30.7153	CTL2	8697	8701	8702	8703	-0.18	
-8701	H61	SLES	1	40.7327	68.3468	30.7401	HAL2	8700	0	0	0	0.09	
-8702	H62	SLES	1	42.376	67.8308	30.2115	HAL2	8700	0	0	0	0.09	
-8703	C7	SLES	1	42.3244	68.7997	32.1796	CTL2	8700	8704	8705	8706	-0.18	
-8704	H71	SLES	1	41.5364	69.2883	32.7946	HAL2	8703	0	0	0	0.09	
-8705	H72	SLES	1	43.2197	69.4607	32.1803	HAL2	8703	0	0	0	0.09	
-8706	C8	SLES	1	42.6983	67.4428	32.8264	CTL2	8703	8707	8708	8709	-0.18	
-8707	H81	SLES	1	41.8855	66.7076	32.6261	HAL2	8706	0	0	0	0.09	
-8708	H82	SLES	1	43.6322	67.0602	32.3553	HAL2	8706	0	0	0	0.09	
-8709	C9	SLES	1	42.9127	67.5558	34.3567	CTL2	8706	8710	8711	8712	-0.18	
-8710	H91	SLES	1	41.9885	67.9664	34.8234	HAL2	8709	0	0	0	0.09	
-8711	H92	SLES	1	43.7437	68.2695	34.5549	HAL2	8709	0	0	0	0.09	
-8712	C10	SLES	1	43.2478	66.1958	35.0136	CTL2	8709	8713	8714	8715	-0.18	
-8713	H10	SLES	1	42.4059	65.4886	34.8354	HAL2	8712	0	0	0	0.09	
-8714	H10	SLES	1	44.1591	65.7742	34.5322	HAL2	8712	0	0	0	0.09	
-8715	C11	SLES	1	43.492	66.3179	36.5411	CTL2	8712	8716	8717	8718	-0.18	
-8716	H11	SLES	1	42.5755	66.7336	37.0189	HAL2	8715	0	0	0	0.09	
-8717	H11	SLES	1	44.3225	67.0397	36.7151	HAL2	8715	0	0	0	0.09	
-8718	C12	SLES	1	43.8468	64.9731	37.2268	CTL3	8715	8719	8720	8721	-0.27	
-8719	H12	SLES	1	43.1015	64.7336	38.017	HAL3	8718	0	0	0	0.09	
-8720	H12	SLES	1	44.8538	65.0322	37.6957	HAL3	8718	0	0	0	0.09	
-8721	H12	SLES	1	43.8509	64.1479	36.4817	HAL3	8718	0	0	0	0.09	
-8722	NA	SLES	1	27.1933	78.307	24.0743	NA	0	0	0	0	1	
-8723	S	SLES	1	29.2618	76.0071	22.1295	SL	8724	8725	8726	8727	1.33	
-8724	OS1	SLES	1	29.1886	76.03	23.8032	OSL	8723	8728	0	0	-0.28	
-8725	OS2	SLES	1	27.908	75.7866	21.6645	O2L	8723	0	0	0	-0.65	
-8726	OS3	SLES	1	29.712	77.3234	21.7279	O2L	8723	0	0	0	-0.65	
-8727	OS4	SLES	1	30.146	74.9925	21.5787	O2L	8723	0	0	0	-0.65	
-8728	C2	SLES	1	29.9104	74.8548	24.3675	CC32A	8724	8729	8730	8731	-0.11	
-8729	H2A	SLES	1	29.5045	73.8963	23.939	HCA2	8728	0	0	0	0.09	
-8730	H2B	SLES	1	30.9996	74.9418	24.0989	HCA2	8728	0	0	0	0.09	
-8731	C1	SLES	1	29.7451	74.8467	25.961	CC32A	8728	8732	8733	8734	-0.01	
-8732	H1B	SLES	1	28.6638	74.8498	26.2299	HCA2	8731	0	0	0	0.09	
-8733	H1A	SLES	1	30.2266	75.7529	26.3969	HCA2	8731	0	0	0	0.09	
-8734	O1	SLES	1	30.2847	73.727	26.7566	OC30A	8731	8735	0	0	-0.34	
-8735	C2	SLES	1	31.2773	72.8988	26.1153	CC32A	8734	8736	8737	8738	-0.01	
-8736	H2A	SLES	1	30.7134	72.5012	25.2488	HCA2	8735	0	0	0	0.09	
-8737	H2B	SLES	1	32.0149	73.6483	25.7498	HCA2	8735	0	0	0	0.09	
-8738	C1	SLES	1	32.0271	71.7299	26.8285	CC32A	8735	8739	8740	8741	-0.01	
-8739	H1B	SLES	1	31.4662	70.7809	26.684	HCA2	8738	0	0	0	0.09	
-8740	H1A	SLES	1	33.0362	71.6172	26.3839	HCA2	8738	0	0	0	0.09	
-8741	O1	SLES	1	32.2428	71.6781	28.2754	OC30A	8738	8742	0	0	-0.34	
-8742	C1	SLES	1	33.4637	70.9678	28.6986	CTL2	8741	8743	8744	8745	-0.18	
-8743	H11	SLES	1	33.8667	70.4533	27.8076	HAL2	8742	0	0	0	0.09	
-8744	H12	SLES	1	34.1318	71.8167	28.9521	HAL2	8742	0	0	0	0.09	
-8745	C2	SLES	1	33.3994	69.9566	29.9109	CTL2	8742	8746	8747	8748	-0.18	
-8746	H21	SLES	1	32.3503	69.8926	30.2771	HAL2	8745	0	0	0	0.09	
-8747	H22	SLES	1	34.0286	70.3467	30.7407	HAL2	8745	0	0	0	0.09	
-8748	C3	SLES	1	33.906	68.4858	29.5125	CTL2	8745	8749	8750	8751	-0.18	
-8749	H31	SLES	1	33.0227	67.8197	29.3924	HAL2	8748	0	0	0	0.09	
-8750	H32	SLES	1	34.4292	68.5358	28.5368	HAL2	8748	0	0	0	0.09	
-8751	C4	SLES	1	34.8835	67.8544	30.5886	CTL2	8748	8752	8753	8754	-0.18	
-8752	H41	SLES	1	34.319	67.1197	31.2	HAL2	8751	0	0	0	0.09	
-8753	H42	SLES	1	35.2471	68.6564	31.2665	HAL2	8751	0	0	0	0.09	
-8754	C5	SLES	1	36.1392	67.127	29.926	CTL2	8751	8755	8756	8757	-0.18	
-8755	H51	SLES	1	35.9174	66.9233	28.8552	HAL2	8754	0	0	0	0.09	
-8756	H52	SLES	1	37.0183	67.8099	29.9694	HAL2	8754	0	0	0	0.09	
-8757	C6	SLES	1	36.5085	65.7708	30.637	CTL2	8754	8758	8759	8760	-0.18	
-8758	H61	SLES	1	35.7369	65.0084	30.3873	HAL2	8757	0	0	0	0.09	
-8759	H62	SLES	1	37.4873	65.4101	30.2427	HAL2	8757	0	0	0	0.09	
-8760	C7	SLES	1	36.6055	65.9079	32.1894	CTL2	8757	8761	8762	8763	-0.18	
-8761	H71	SLES	1	35.5813	65.8661	32.622	HAL2	8760	0	0	0	0.09	
-8762	H72	SLES	1	37.0442	66.8993	32.4406	HAL2	8760	0	0	0	0.09	
-8763	C8	SLES	1	37.4697	64.7956	32.8339	CTL2	8760	8764	8765	8766	-0.18	
-8764	H81	SLES	1	37.1744	63.8105	32.4051	HAL2	8763	0	0	0	0.09	
-8765	H82	SLES	1	38.5398	64.9739	32.5816	HAL2	8763	0	0	0	0.09	
-8766	C9	SLES	1	37.3147	64.7438	34.3746	CTL2	8763	8767	8768	8769	-0.18	
-8767	H91	SLES	1	36.2401	64.595	34.6266	HAL2	8766	0	0	0	0.09	
-8768	H92	SLES	1	37.6365	65.719	34.8046	HAL2	8766	0	0	0	0.09	
-8769	C10	SLES	1	38.1455	63.6092	35.0194	CTL2	8766	8770	8771	8772	-0.18	
-8770	H10	SLES	1	37.8077	62.6313	34.6065	HAL2	8769	0	0	0	0.09	
-8771	H10	SLES	1	39.2173	63.7447	34.7495	HAL2	8769	0	0	0	0.09	
-8772	C11	SLES	1	38.012	63.5796	36.5651	CTL2	8769	8773	8774	8775	-0.18	
-8773	H11	SLES	1	36.9393	63.437	36.83	HAL2	8772	0	0	0	0.09	
-8774	H11	SLES	1	38.3338	64.5655	36.9719	HAL2	8772	0	0	0	0.09	
-8775	C12	SLES	1	38.8468	62.4627	37.2433	CTL3	8772	8776	8777	8778	-0.27	
-8776	H12	SLES	1	38.1834	61.7787	37.8172	HAL3	8775	0	0	0	0.09	
-8777	H12	SLES	1	39.5893	62.9059	37.9431	HAL3	8775	0	0	0	0.09	
-8778	H12	SLES	1	39.3921	61.8682	36.4782	HAL3	8775	0	0	0	0.09	
-8779	NA	SLES	1	18.7913	69.4794	23.9241	NA	0	0	0	0	1	
-8780	S	SLES	1	21.9491	68.8678	22.1907	SL	8781	8782	8783	8784	1.33	
-8781	OS1	SLES	1	21.6657	68.4986	23.8002	OSL	8780	8785	0	0	-0.28	
-8782	OS2	SLES	1	20.9503	68.1511	21.4252	O2L	8780	0	0	0	-0.65	
-8783	OS3	SLES	1	21.7381	70.2945	22.0616	O2L	8780	0	0	0	-0.65	
-8784	OS4	SLES	1	23.2794	68.5198	21.7178	O2L	8780	0	0	0	-0.65	
-8785	C2	SLES	1	22.7959	67.7005	24.3535	CC32A	8781	8786	8787	8788	-0.11	
-8786	H2A	SLES	1	22.9725	66.7786	23.7322	HCA2	8785	0	0	0	0.09	
-8787	H2B	SLES	1	23.7244	68.3358	24.3351	HCA2	8785	0	0	0	0.09	
-8788	C1	SLES	1	22.4585	67.279	25.8617	CC32A	8785	8789	8790	8791	-0.01	
-8789	H1B	SLES	1	21.4923	66.7248	25.8933	HCA2	8788	0	0	0	0.09	
-8790	H1A	SLES	1	22.3718	68.1892	26.4997	HCA2	8788	0	0	0	0.09	
-8791	O1	SLES	1	23.3756	66.3954	26.6074	OC30A	8788	8792	0	0	-0.34	
-8792	C2	SLES	1	24.7187	66.2771	26.093	CC32A	8791	8793	8794	8795	-0.01	
-8793	H2A	SLES	1	24.5374	65.858	25.0839	HCA2	8792	0	0	0	0.09	
-8794	H2B	SLES	1	25.03	67.3409	25.989	HCA2	8792	0	0	0	0.09	
-8795	C1	SLES	1	25.8514	65.4658	26.7973	CC32A	8792	8796	8797	8798	-0.01	
-8796	H1B	SLES	1	25.8543	64.4202	26.4196	HCA2	8795	0	0	0	0.09	
-8797	H1A	SLES	1	26.8313	65.9295	26.5665	HCA2	8795	0	0	0	0.09	
-8798	O1	SLES	1	25.8818	65.2138	28.239	OC30A	8795	8799	0	0	-0.34	
-8799	C1	SLES	1	27.2302	65.0767	28.8194	CTL2	8798	8800	8801	8802	-0.18	
-8800	H11	SLES	1	27.9423	65.0091	27.9771	HAL2	8799	0	0	0	0.09	
-8801	H12	SLES	1	27.3554	66.0626	29.313	HAL2	8799	0	0	0	0.09	
-8802	C2	SLES	1	27.5219	63.919	29.8544	CTL2	8799	8803	8804	8805	-0.18	
-8803	H21	SLES	1	26.6044	63.3014	29.9786	HAL2	8802	0	0	0	0.09	
-8804	H22	SLES	1	27.7676	64.3696	30.8409	HAL2	8802	0	0	0	0.09	
-8805	C3	SLES	1	28.733	62.9713	29.392	CTL2	8802	8806	8807	8808	-0.18	
-8806	H31	SLES	1	28.3158	62.0151	29.0048	HAL2	8805	0	0	0	0.09	
-8807	H32	SLES	1	29.2807	63.4632	28.5636	HAL2	8805	0	0	0	0.09	
-8808	C4	SLES	1	29.7514	62.651	30.5634	CTL2	8805	8809	8810	8811	-0.18	
-8809	H41	SLES	1	29.5511	61.6278	30.9444	HAL2	8808	0	0	0	0.09	
-8810	H42	SLES	1	29.5844	63.3658	31.3978	HAL2	8808	0	0	0	0.09	
-8811	C5	SLES	1	31.274	62.7457	30.0968	CTL2	8808	8812	8813	8814	-0.18	
-8812	H51	SLES	1	31.3172	62.6951	28.9865	HAL2	8811	0	0	0	0.09	
-8813	H52	SLES	1	31.6888	63.7308	30.4108	HAL2	8811	0	0	0	0.09	
-8814	C6	SLES	1	32.1717	61.5978	30.6949	CTL2	8811	8815	8816	8817	-0.18	
-8815	H61	SLES	1	31.9143	60.6377	30.1938	HAL2	8814	0	0	0	0.09	
-8816	H62	SLES	1	33.2415	61.8232	30.4753	HAL2	8814	0	0	0	0.09	
-8817	C7	SLES	1	31.9936	61.4311	32.2372	CTL2	8814	8818	8819	8820	-0.18	
-8818	H71	SLES	1	31.0782	60.83	32.4338	HAL2	8817	0	0	0	0.09	
-8819	H72	SLES	1	31.8512	62.4342	32.6976	HAL2	8817	0	0	0	0.09	
-8820	C8	SLES	1	33.2054	60.736	32.9062	CTL2	8817	8821	8822	8823	-0.18	
-8821	H81	SLES	1	33.4904	59.8424	32.3048	HAL2	8820	0	0	0	0.09	
-8822	H82	SLES	1	34.0704	61.4377	32.911	HAL2	8820	0	0	0	0.09	
-8823	C9	SLES	1	32.9049	60.2928	34.3601	CTL2	8820	8824	8825	8826	-0.18	
-8824	H91	SLES	1	32.0215	59.6146	34.3576	HAL2	8823	0	0	0	0.09	
-8825	H92	SLES	1	32.6475	61.1899	34.967	HAL2	8823	0	0	0	0.09	
-8826	C10	SLES	1	34.099	59.563	35.0195	CTL2	8823	8827	8828	8829	-0.18	
-8827	H10	SLES	1	34.3418	58.6525	34.4255	HAL2	8826	0	0	0	0.09	
-8828	H10	SLES	1	34.9888	60.2323	35.0023	HAL2	8826	0	0	0	0.09	
-8829	C11	SLES	1	33.8055	59.1478	36.4856	CTL2	8826	8830	8831	8832	-0.18	
-8830	H11	SLES	1	32.919	58.4731	36.4968	HAL2	8829	0	0	0	0.09	
-8831	H11	SLES	1	33.5457	60.0591	37.0713	HAL2	8829	0	0	0	0.09	
-8832	C12	SLES	1	34.9901	58.428	37.1805	CTL3	8829	8833	8834	8835	-0.27	
-8833	H12	SLES	1	34.6844	57.4106	37.5104	HAL3	8832	0	0	0	0.09	
-8834	H12	SLES	1	35.3234	59.0042	38.0717	HAL3	8832	0	0	0	0.09	
-8835	H12	SLES	1	35.8483	58.3305	36.4804	HAL3	8832	0	0	0	0.09	
-8836	NA	SLES	1	13.9249	58.4577	23.5907	NA	0	0	0	0	1	
-8837	S	SLES	1	17.0645	59.8222	22.3134	SL	8838	8839	8840	8841	1.33	
-8838	OS1	SLES	1	16.9131	58.9887	23.7589	OSL	8837	8842	0	0	-0.28	
-8839	OS2	SLES	1	16.5874	58.931	21.2762	O2L	8837	0	0	0	-0.65	
-8840	OS3	SLES	1	16.1886	60.9706	22.4169	O2L	8837	0	0	0	-0.65	
-8841	OS4	SLES	1	18.4177	60.2581	22.0079	O2L	8837	0	0	0	-0.65	
-8842	C2	SLES	1	18.258	58.7014	24.3324	CC32A	8838	8843	8844	8845	-0.11	
-8843	H2A	SLES	1	18.8966	58.1475	23.589	HCA2	8842	0	0	0	0.09	
-8844	H2B	SLES	1	18.7556	59.6789	24.5833	HCA2	8842	0	0	0	0.09	
-8845	C1	SLES	1	18.0906	57.8226	25.6613	CC32A	8842	8846	8847	8848	-0.01	
-8846	H1B	SLES	1	17.5199	56.8935	25.432	HCA2	8845	0	0	0	0.09	
-8847	H1A	SLES	1	17.5352	58.4045	26.4334	HCA2	8845	0	0	0	0.09	
-8848	O1	SLES	1	19.2818	57.3171	26.3708	OC30A	8845	8849	0	0	-0.34	
-8849	C2	SLES	1	20.5358	57.9647	26.0696	CC32A	8848	8850	8851	8852	-0.01	
-8850	H2A	SLES	1	20.6373	57.766	24.9847	HCA2	8849	0	0	0	0.09	
-8851	H2B	SLES	1	20.291	59.0408	26.2159	HCA2	8849	0	0	0	0.09	
-8852	C1	SLES	1	21.8814	57.6309	26.7875	CC32A	8849	8853	8854	8855	-0.01	
-8853	H1B	SLES	1	22.4164	56.8323	26.229	HCA2	8852	0	0	0	0.09	
-8854	H1A	SLES	1	22.5191	58.5373	26.8092	HCA2	8852	0	0	0	0.09	
-8855	O1	SLES	1	21.9545	57.0837	28.1432	OC30A	8852	8856	0	0	-0.34	
-8856	C1	SLES	1	23.164	57.4545	28.9006	CTL2	8855	8857	8858	8859	-0.18	
-8857	H11	SLES	1	23.8616	57.9306	28.188	HAL2	8856	0	0	0	0.09	
-8858	H12	SLES	1	22.7635	58.234	29.5812	HAL2	8856	0	0	0	0.09	
-8859	C2	SLES	1	23.93	56.355	29.7378	CTL2	8856	8860	8861	8862	-0.18	
-8860	H21	SLES	1	23.4277	55.3722	29.5945	HAL2	8859	0	0	0	0.09	
-8861	H22	SLES	1	23.8704	56.6159	30.8171	HAL2	8859	0	0	0	0.09	
-8862	C3	SLES	1	25.4727	56.222	29.3125	CTL2	8859	8863	8864	8865	-0.18	
-8863	H31	SLES	1	25.599	55.3064	28.6928	HAL2	8862	0	0	0	0.09	
-8864	H32	SLES	1	25.7524	57.0951	28.6898	HAL2	8862	0	0	0	0.09	
-8865	C4	SLES	1	26.4533	56.1411	30.555	CTL2	8862	8866	8867	8868	-0.18	
-8866	H41	SLES	1	26.7602	55.0846	30.7028	HAL2	8865	0	0	0	0.09	
-8867	H42	SLES	1	25.9134	56.4717	31.4683	HAL2	8865	0	0	0	0.09	
-8868	C5	SLES	1	27.7566	57.0421	30.3688	CTL2	8865	8869	8870	8871	-0.18	
-8869	H51	SLES	1	27.8782	57.2861	29.2903	HAL2	8868	0	0	0	0.09	
-8870	H52	SLES	1	27.6181	57.9988	30.9225	HAL2	8868	0	0	0	0.09	
-8871	C6	SLES	1	29.0683	56.3378	30.8832	CTL2	8868	8872	8873	8874	-0.18	
-8872	H61	SLES	1	29.3415	55.5206	30.1785	HAL2	8871	0	0	0	0.09	
-8873	H62	SLES	1	29.9004	57.0803	30.8866	HAL2	8871	0	0	0	0.09	
-8874	C7	SLES	1	28.9128	55.7422	32.3182	CTL2	8871	8875	8876	8877	-0.18	
-8875	H71	SLES	1	28.4005	54.757	32.2485	HAL2	8874	0	0	0	0.09	
-8876	H72	SLES	1	28.2729	56.4198	32.9261	HAL2	8874	0	0	0	0.09	
-8877	C8	SLES	1	30.2722	55.5527	33.0361	CTL2	8874	8878	8879	8880	-0.18	
-8878	H81	SLES	1	30.9901	55.0685	32.335	HAL2	8877	0	0	0	0.09	
-8879	H82	SLES	1	30.6807	56.5517	33.3114	HAL2	8877	0	0	0	0.09	
-8880	C9	SLES	1	30.1505	54.6858	34.3145	CTL2	8877	8881	8882	8883	-0.18	
-8881	H91	SLES	1	29.7143	53.6976	34.0428	HAL2	8880	0	0	0	0.09	
-8882	H92	SLES	1	29.4546	55.1844	35.0261	HAL2	8880	0	0	0	0.09	
-8883	C10	SLES	1	31.512	54.4607	35.0139	CTL2	8880	8884	8885	8886	-0.18	
-8884	H10	SLES	1	32.201	53.9408	34.3098	HAL2	8883	0	0	0	0.09	
-8885	H10	SLES	1	31.959	55.449	35.2659	HAL2	8883	0	0	0	0.09	
-8886	C11	SLES	1	31.3819	53.618	36.3103	CTL2	8883	8887	8888	8889	-0.18	
-8887	H11	SLES	1	30.9407	52.6281	36.052	HAL2	8886	0	0	0	0.09	
-8888	H11	SLES	1	30.6781	54.1327	37.0036	HAL2	8886	0	0	0	0.09	
-8889	C12	SLES	1	32.7283	53.3886	37.0444	CTL3	8886	8890	8891	8892	-0.27	
-8890	H12	SLES	1	32.9433	52.3003	37.1266	HAL3	8889	0	0	0	0.09	
-8891	H12	SLES	1	32.6885	53.8203	38.0688	HAL3	8889	0	0	0	0.09	
-8892	H12	SLES	1	33.5601	53.873	36.4879	HAL3	8889	0	0	0	0.09	
-8893	NA	SLES	1	13.0408	46.6805	23.1068	NA	0	0	0	0	1	
-8894	S	SLES	1	15.1018	49.6329	22.4854	SL	8895	8896	8897	8898	1.33	
-8895	OS1	SLES	1	15.4054	48.5015	23.6833	OSL	8894	8899	0	0	-0.28	
-8896	OS2	SLES	1	15.0894	48.9074	21.232	O2L	8894	0	0	0	-0.65	
-8897	OS3	SLES	1	13.7834	50.1654	22.759	O2L	8894	0	0	0	-0.65	
-8898	OS4	SLES	1	16.0693	50.7166	22.4208	O2L	8894	0	0	0	-0.65	
-8899	C2	SLES	1	16.7353	48.7537	24.3063	CC32A	8895	8900	8901	8902	-0.11	
-8900	H2A	SLES	1	17.5441	48.769	23.5235	HCA2	8899	0	0	0	0.09	
-8901	H2B	SLES	1	16.7054	49.7548	24.8192	HCA2	8899	0	0	0	0.09	
-8902	C1	SLES	1	17.044	47.605	25.3794	CC32A	8899	8903	8904	8905	-0.01	
-8903	H1B	SLES	1	16.9869	46.605	24.8912	HCA2	8902	0	0	0	0.09	
-8904	H1A	SLES	1	16.2952	47.6455	26.2045	HCA2	8902	0	0	0	0.09	
-8905	O1	SLES	1	18.3477	47.5663	26.0699	OC30A	8902	8906	0	0	-0.34	
-8906	C2	SLES	1	19.1263	48.7812	26.0475	CC32A	8905	8907	8908	8909	-0.01	
-8907	H2A	SLES	1	19.2853	48.927	24.9611	HCA2	8906	0	0	0	0.09	
-8908	H2B	SLES	1	18.3963	49.5404	26.4082	HCA2	8906	0	0	0	0.09	
-8909	C1	SLES	1	20.4825	48.9589	26.8	CC32A	8906	8910	8911	8912	-0.01	
-8910	H1B	SLES	1	21.323	48.6728	26.1309	HCA2	8909	0	0	0	0.09	
-8911	H1A	SLES	1	20.6043	50.0222	27.0884	HCA2	8909	0	0	0	0.09	
-8912	O1	SLES	1	20.8425	48.198	27.9976	OC30A	8909	8913	0	0	-0.34	
-8913	C1	SLES	1	21.7408	48.898	28.9342	CTL2	8912	8914	8915	8916	-0.18	
-8914	H11	SLES	1	22.1051	49.8054	28.4196	HAL2	8913	0	0	0	0.09	
-8915	H12	SLES	1	21.0302	49.2014	29.7305	HAL2	8913	0	0	0	0.09	
-8916	C2	SLES	1	22.9616	48.1243	29.5725	CTL2	8913	8917	8918	8919	-0.18	
-8917	H21	SLES	1	22.9924	47.0901	29.1623	HAL2	8916	0	0	0	0.09	
-8918	H22	SLES	1	22.8091	48.0523	30.6716	HAL2	8916	0	0	0	0.09	
-8919	C3	SLES	1	24.3666	48.8454	29.2818	CTL2	8916	8920	8921	8922	-0.18	
-8920	H31	SLES	1	24.9041	48.2821	28.4868	HAL2	8919	0	0	0	0.09	
-8921	H32	SLES	1	24.1757	49.8692	28.9029	HAL2	8919	0	0	0	0.09	
-8922	C4	SLES	1	25.2937	48.9359	30.5641	CTL2	8919	8923	8924	8925	-0.18	
-8923	H41	SLES	1	26.0754	48.1506	30.4989	HAL2	8922	0	0	0	0.09	
-8924	H42	SLES	1	24.683	48.7366	31.4709	HAL2	8922	0	0	0	0.09	
-8925	C5	SLES	1	25.9959	50.3604	30.7151	CTL2	8922	8926	8927	8928	-0.18	
-8926	H51	SLES	1	25.9593	50.8888	29.737	HAL2	8925	0	0	0	0.09	
-8927	H52	SLES	1	25.4263	50.9688	31.4543	HAL2	8925	0	0	0	0.09	
-8928	C6	SLES	1	27.4964	50.2583	31.1835	CTL2	8925	8929	8930	8931	-0.18	
-8929	H61	SLES	1	28.1132	49.8686	30.3428	HAL2	8928	0	0	0	0.09	
-8930	H62	SLES	1	27.867	51.2793	31.4362	HAL2	8928	0	0	0	0.09	
-8931	C7	SLES	1	27.6815	49.3289	32.4245	CTL2	8928	8932	8933	8934	-0.18	
-8932	H71	SLES	1	27.7064	48.27	32.0841	HAL2	8931	0	0	0	0.09	
-8933	H72	SLES	1	26.8087	49.4508	33.1039	HAL2	8931	0	0	0	0.09	
-8934	C8	SLES	1	28.9803	49.6352	33.2111	CTL2	8931	8935	8936	8937	-0.18	
-8935	H81	SLES	1	29.8258	49.7367	32.4927	HAL2	8934	0	0	0	0.09	
-8936	H82	SLES	1	28.8626	50.6064	33.7437	HAL2	8934	0	0	0	0.09	
-8937	C9	SLES	1	29.322	48.5305	34.2423	CTL2	8934	8938	8939	8940	-0.18	
-8938	H91	SLES	1	29.4103	47.5546	33.713	HAL2	8937	0	0	0	0.09	
-8939	H92	SLES	1	28.489	48.449	34.9763	HAL2	8937	0	0	0	0.09	
-8940	C10	SLES	1	30.6393	48.8123	35.0031	CTL2	8937	8941	8942	8943	-0.18	
-8941	H10	SLES	1	31.4768	48.8706	34.271	HAL2	8940	0	0	0	0.09	
-8942	H10	SLES	1	30.5601	49.7983	35.5144	HAL2	8940	0	0	0	0.09	
-8943	C11	SLES	1	30.9625	47.7197	36.0564	CTL2	8940	8944	8945	8946	-0.18	
-8944	H11	SLES	1	31.0475	46.7366	35.5392	HAL2	8943	0	0	0	0.09	
-8945	H11	SLES	1	30.1143	47.6526	36.7755	HAL2	8943	0	0	0	0.09	
-8946	C12	SLES	1	32.2696	47.9822	36.8483	CTL3	8943	8947	8948	8949	-0.27	
-8947	H12	SLES	1	32.9846	47.1425	36.7033	HAL3	8946	0	0	0	0.09	
-8948	H12	SLES	1	32.0507	48.0775	37.9348	HAL3	8946	0	0	0	0.09	
-8949	H12	SLES	1	32.7511	48.9218	36.5002	HAL3	8946	0	0	0	0.09	
-8950	NA	SLES	1	15.9904	35.5745	22.5197	NA	0	0	0	0	1	
-8951	S	SLES	1	16.3382	39.2077	22.69	SL	8952	8953	8954	8955	1.33	
-8952	OS1	SLES	1	17.2566	38.126	23.5808	OSL	8951	8956	0	0	-0.28	
-8953	OS2	SLES	1	16.5472	38.8707	21.2971	O2L	8951	0	0	0	-0.65	
-8954	OS3	SLES	1	14.9588	38.9607	23.0546	O2L	8951	0	0	0	-0.65	
-8955	OS4	SLES	1	16.6667	40.6061	22.9159	O2L	8951	0	0	0	-0.65	
-8956	C2	SLES	1	18.3632	38.8401	24.2779	CC32A	8952	8957	8958	8959	-0.11	
-8957	H2A	SLES	1	18.9872	39.42	23.542	HCA2	8956	0	0	0	0.09	
-8958	H2B	SLES	1	17.9141	39.5572	25.0197	HCA2	8956	0	0	0	0.09	
-8959	C1	SLES	1	19.282	37.7744	25.0436	CC32A	8956	8960	8961	8962	-0.01	
-8960	H1B	SLES	1	19.6568	37.0108	24.3239	HCA2	8959	0	0	0	0.09	
-8961	H1A	SLES	1	18.6882	37.2612	25.8355	HCA2	8959	0	0	0	0.09	
-8962	O1	SLES	1	20.5097	38.2146	25.7341	OC30A	8959	8963	0	0	-0.34	
-8963	C2	SLES	1	20.6149	39.6234	26.0286	CC32A	8962	8964	8965	8966	-0.01	
-8964	H2A	SLES	1	20.5785	40.0688	25.0152	HCA2	8963	0	0	0	0.09	
-8965	H2B	SLES	1	19.6522	39.8324	26.5471	HCA2	8963	0	0	0	0.09	
-8966	C1	SLES	1	21.7924	40.258	26.8336	CC32A	8963	8967	8968	8969	-0.01	
-8967	H1B	SLES	1	22.598	40.5724	26.1349	HCA2	8966	0	0	0	0.09	
-8968	H1A	SLES	1	21.4247	41.1515	27.3767	HCA2	8966	0	0	0	0.09	
-8969	O1	SLES	1	22.5851	39.5171	27.8163	OC30A	8966	8970	0	0	-0.34	
-8970	C1	SLES	1	23.1327	40.3312	28.9169	CTL2	8969	8971	8972	8973	-0.18	
-8971	H11	SLES	1	22.9722	41.3913	28.6492	HAL2	8970	0	0	0	0.09	
-8972	H12	SLES	1	22.4452	40.0655	29.7463	HAL2	8970	0	0	0	0.09	
-8973	C2	SLES	1	24.6303	40.1211	29.3746	CTL2	8970	8974	8975	8976	-0.18	
-8974	H21	SLES	1	25.1059	39.3533	28.7243	HAL2	8973	0	0	0	0.09	
-8975	H22	SLES	1	24.6387	39.7384	30.4187	HAL2	8973	0	0	0	0.09	
-8976	C3	SLES	1	25.4911	41.4747	29.303	CTL2	8973	8977	8978	8979	-0.18	
-8977	H31	SLES	1	26.1501	41.4368	28.407	HAL2	8976	0	0	0	0.09	
-8978	H32	SLES	1	24.8026	42.3348	29.1822	HAL2	8976	0	0	0	0.09	
-8979	C4	SLES	1	26.3861	41.7089	30.5899	CTL2	8976	8980	8981	8982	-0.18	
-8980	H41	SLES	1	27.4356	41.436	30.3526	HAL2	8979	0	0	0	0.09	
-8981	H42	SLES	1	26.0347	41.0408	31.4054	HAL2	8979	0	0	0	0.09	
-8982	C5	SLES	1	26.3424	43.2192	31.1021	CTL2	8979	8983	8984	8985	-0.18	
-8983	H51	SLES	1	25.9644	43.8696	30.2827	HAL2	8982	0	0	0	0.09	
-8984	H52	SLES	1	25.6285	43.2925	31.9541	HAL2	8982	0	0	0	0.09	
-8985	C6	SLES	1	27.7506	43.7507	31.5664	CTL2	8982	8986	8987	8988	-0.18	
-8986	H61	SLES	1	28.3923	43.9082	30.6706	HAL2	8985	0	0	0	0.09	
-8987	H62	SLES	1	27.6172	44.7365	32.0704	HAL2	8985	0	0	0	0.09	
-8988	C7	SLES	1	28.474	42.7731	32.5457	CTL2	8985	8989	8990	8991	-0.18	
-8989	H71	SLES	1	28.963	41.9657	31.9568	HAL2	8988	0	0	0	0.09	
-8990	H72	SLES	1	27.7188	42.3018	33.2135	HAL2	8988	0	0	0	0.09	
-8991	C8	SLES	1	29.5438	43.4811	33.4139	CTL2	8988	8992	8993	8994	-0.18	
-8992	H81	SLES	1	30.1656	44.1371	32.7625	HAL2	8991	0	0	0	0.09	
-8993	H82	SLES	1	29.0339	44.126	34.1653	HAL2	8991	0	0	0	0.09	
-8994	C9	SLES	1	30.4666	42.478	34.1506	CTL2	8991	8995	8996	8997	-0.18	
-8995	H91	SLES	1	30.9533	41.8141	33.4004	HAL2	8994	0	0	0	0.09	
-8996	H92	SLES	1	29.8478	41.8415	34.8223	HAL2	8994	0	0	0	0.09	
-8997	C10	SLES	1	31.5616	43.18	34.9881	CTL2	8994	8998	8999	9000	-0.18	
-8998	H10	SLES	1	32.1955	43.7987	34.3127	HAL2	8997	0	0	0	0.09	
-8999	H10	SLES	1	31.0763	43.8609	35.7236	HAL2	8997	0	0	0	0.09	
-9000	C11	SLES	1	32.4648	42.1732	35.7488	CTL2	8997	9001	9002	9003	-0.18	
-9001	H11	SLES	1	32.9531	41.499	35.0085	HAL2	9000	0	0	0	0.09	
-9002	H11	SLES	1	31.8244	41.5449	36.4092	HAL2	9000	0	0	0	0.09	
-9003	C12	SLES	1	33.563	42.847	36.6116	CTL3	9000	9004	9005	9006	-0.27	
-9004	H12	SLES	1	34.5719	42.514	36.2821	HAL3	9003	0	0	0	0.09	
-9005	H12	SLES	1	33.433	42.5767	37.6828	HAL3	9003	0	0	0	0.09	
-9006	H12	SLES	1	33.5062	43.9532	36.5159	HAL3	9003	0	0	0	0.09	
-9007	NA	SLES	1	22.1333	26.3098	21.8869	NA	0	0	0	0	1	
-9008	S	SLES	1	20.7739	29.5442	22.9071	SL	9009	9010	9011	9012	1.33	
-9009	OS1	SLES	1	22.2216	28.9084	23.4614	OSL	9008	9013	0	0	-0.28	
-9010	OS2	SLES	1	20.8852	29.6164	21.4649	O2L	9008	0	0	0	-0.65	
-9011	OS3	SLES	1	19.7482	28.5906	23.2745	O2L	9008	0	0	0	-0.65	
-9012	OS4	SLES	1	20.4462	30.8549	23.4448	O2L	9008	0	0	0	-0.65	
-9013	C2	SLES	1	22.966	29.9304	24.2498	CC32A	9009	9014	9015	9016	-0.11	
-9014	H2A	SLES	1	23.1192	30.866	23.6428	HCA2	9013	0	0	0	0.09	
-9015	H2B	SLES	1	22.3628	30.1845	25.1651	HCA2	9013	0	0	0	0.09	
-9016	C1	SLES	1	24.3861	29.3315	24.6867	CC32A	9013	9017	9018	9019	-0.01	
-9017	H1B	SLES	1	24.9499	28.9973	23.7856	HCA2	9016	0	0	0	0.09	
-9018	H1A	SLES	1	24.2374	28.4572	25.3625	HCA2	9016	0	0	0	0.09	
-9019	O1	SLES	1	25.3623	30.1808	25.3964	OC30A	9016	9020	0	0	-0.34	
-9020	C2	SLES	1	24.8467	31.3783	26.015	CC32A	9019	9021	9022	9023	-0.01	
-9021	H2A	SLES	1	24.4424	31.9268	25.1418	HCA2	9020	0	0	0	0.09	
-9022	H2B	SLES	1	23.9964	30.9889	26.6191	HCA2	9020	0	0	0	0.09	
-9023	C1	SLES	1	25.7075	32.3474	26.8851	CC32A	9020	9024	9025	9026	-0.01	
-9024	H1B	SLES	1	26.1481	33.1389	26.2405	HCA2	9023	0	0	0	0.09	
-9025	H1A	SLES	1	25.0605	32.8284	27.6459	HCA2	9023	0	0	0	0.09	
-9026	O1	SLES	1	26.9021	31.9234	27.617	OC30A	9023	9027	0	0	-0.34	
-9027	C1	SLES	1	27.1796	32.6824	28.8503	CTL2	9026	9028	9029	9030	-0.18	
-9028	H11	SLES	1	26.5032	33.5562	28.8544	HAL2	9027	0	0	0	0.09	
-9029	H12	SLES	1	26.8403	31.9661	29.6269	HAL2	9027	0	0	0	0.09	
-9030	C2	SLES	1	28.655	33.1527	29.1637	CTL2	9027	9031	9032	9033	-0.18	
-9031	H21	SLES	1	29.3199	32.8516	28.3234	HAL2	9030	0	0	0	0.09	
-9032	H22	SLES	1	29.0108	32.6383	30.0831	HAL2	9030	0	0	0	0.09	
-9033	C3	SLES	1	28.7627	34.7411	29.3739	CTL2	9030	9034	9035	9036	-0.18	
-9034	H31	SLES	1	29.2075	35.1969	28.4613	HAL2	9033	0	0	0	0.09	
-9035	H32	SLES	1	27.744	35.1587	29.5003	HAL2	9033	0	0	0	0.09	
-9036	C4	SLES	1	29.6426	35.1418	30.6297	CTL2	9033	9037	9038	9039	-0.18	
-9037	H41	SLES	1	30.6439	35.4673	30.2782	HAL2	9036	0	0	0	0.09	
-9038	H42	SLES	1	29.7806	34.25	31.2782	HAL2	9036	0	0	0	0.09	
-9039	C5	SLES	1	28.9857	36.3126	31.4917	CTL2	9036	9040	9041	9042	-0.18	
-9040	H51	SLES	1	28.2206	36.8326	30.8741	HAL2	9039	0	0	0	0.09	
-9041	H52	SLES	1	28.4696	35.8681	32.3731	HAL2	9039	0	0	0	0.09	
-9042	C6	SLES	1	30.0396	37.3699	31.9945	CTL2	9039	9043	9044	9045	-0.18	
-9043	H61	SLES	1	30.3784	37.9838	31.13	HAL2	9042	0	0	0	0.09	
-9044	H62	SLES	1	29.5473	38.0514	32.7271	HAL2	9042	0	0	0	0.09	
-9045	C7	SLES	1	31.2835	36.7108	32.67	CTL2	9042	9046	9047	9048	-0.18	
-9046	H71	SLES	1	31.9884	36.3712	31.879	HAL2	9045	0	0	0	0.09	
-9047	H72	SLES	1	30.9546	35.8161	33.2441	HAL2	9045	0	0	0	0.09	
-9048	C8	SLES	1	32.0267	37.6781	33.6247	CTL2	9045	9049	9050	9051	-0.18	
-9049	H81	SLES	1	32.1564	38.6618	33.118	HAL2	9048	0	0	0	0.09	
-9050	H82	SLES	1	31.4058	37.8391	34.5352	HAL2	9048	0	0	0	0.09	
-9051	C9	SLES	1	33.4165	37.1399	34.0483	CTL2	9048	9052	9053	9054	-0.18	
-9052	H91	SLES	1	34.0262	36.9511	33.1356	HAL2	9051	0	0	0	0.09	
-9053	H92	SLES	1	33.2837	36.1704	34.5792	HAL2	9051	0	0	0	0.09	
-9054	C10	SLES	1	34.1794	38.12	34.9705	CTL2	9051	9055	9056	9057	-0.18	
-9055	H10	SLES	1	34.3329	39.0823	34.4309	HAL2	9054	0	0	0	0.09	
-9056	H10	SLES	1	33.5605	38.3266	35.8729	HAL2	9054	0	0	0	0.09	
-9057	C11	SLES	1	35.5576	37.5645	35.4175	CTL2	9054	9058	9059	9060	-0.18	
-9058	H11	SLES	1	36.1753	37.366	34.5119	HAL2	9057	0	0	0	0.09	
-9059	H11	SLES	1	35.4005	36.5937	35.9407	HAL2	9057	0	0	0	0.09	
-9060	C12	SLES	1	36.3406	38.5176	36.3572	CTL3	9057	9061	9062	9063	-0.27	
-9061	H12	SLES	1	37.3195	38.789	35.9041	HAL3	9060	0	0	0	0.09	
-9062	H12	SLES	1	36.528	38.026	37.3374	HAL3	9060	0	0	0	0.09	
-9063	H12	SLES	1	35.7611	39.4498	36.5335	HAL3	9060	0	0	0	0.09	
-9064	NA	SLES	1	30.5354	19.654	21.2704	NA	0	0	0	0	1	
-9065	S	SLES	1	28.0866	21.6413	23.1155	SL	9066	9067	9068	9069	1.33	
-9066	OS1	SLES	1	29.7445	21.7382	23.3368	OSL	9065	9070	0	0	-0.28	
-9067	OS2	SLES	1	27.8429	21.9386	21.7192	O2L	9065	0	0	0	-0.65	
-9068	OS3	SLES	1	27.7221	20.2686	23.3974	O2L	9065	0	0	0	-0.65	
-9069	OS4	SLES	1	27.3128	22.5411	23.9558	O2L	9065	0	0	0	-0.65	
-9070	C2	SLES	1	30.0804	22.8867	24.2248	CC32A	9066	9071	9072	9073	-0.11	
-9071	H2A	SLES	1	29.6511	23.8436	23.816	HCA2	9070	0	0	0	0.09	
-9072	H2B	SLES	1	29.638	22.6936	25.2412	HCA2	9070	0	0	0	0.09	
-9073	C1	SLES	1	31.6728	23.0164	24.3437	CC32A	9070	9074	9075	9076	-0.01	
-9074	H1B	SLES	1	32.1214	23.1192	23.329	HCA2	9073	0	0	0	0.09	
-9075	H1A	SLES	1	32.0922	22.1059	24.8317	HCA2	9073	0	0	0	0.09	
-9076	O1	SLES	1	32.2714	24.1402	25.0897	OC30A	9073	9077	0	0	-0.34	
-9077	C2	SLES	1	31.4053	24.8398	26.0079	CC32A	9076	9078	9079	9080	-0.01	
-9078	H2A	SLES	1	30.6183	25.2219	25.3286	HCA2	9077	0	0	0	0.09	
-9079	H2B	SLES	1	30.9813	24.0099	26.617	HCA2	9077	0	0	0	0.09	
-9080	C1	SLES	1	31.8832	25.9898	26.9493	CC32A	9077	9081	9082	9083	-0.01	
-9081	H1B	SLES	1	31.76	26.9691	26.4375	HCA2	9080	0	0	0	0.09	
-9082	H1A	SLES	1	31.2654	25.9899	27.8696	HCA2	9080	0	0	0	0.09	
-9083	O1	SLES	1	33.2631	26.1222	27.4194	OC30A	9080	9084	0	0	-0.34	
-9084	C1	SLES	1	33.413	26.7584	28.7411	CTL2	9083	9085	9086	9087	-0.18	
-9085	H11	SLES	1	32.4276	27.1768	29.015	HAL2	9084	0	0	0	0.09	
-9086	H12	SLES	1	33.6168	25.8773	29.3842	HAL2	9084	0	0	0	0.09	
-9087	C2	SLES	1	34.5325	27.8515	28.9602	CTL2	9084	9088	9089	9090	-0.18	
-9088	H21	SLES	1	35.0658	28.025	27.9988	HAL2	9087	0	0	0	0.09	
-9089	H22	SLES	1	35.2717	27.469	29.6977	HAL2	9087	0	0	0	0.09	
-9090	C3	SLES	1	33.9358	29.2459	29.4876	CTL2	9087	9091	9092	9093	-0.18	
-9091	H31	SLES	1	33.9144	29.9717	28.6443	HAL2	9090	0	0	0	0.09	
-9092	H32	SLES	1	32.8925	29.0875	29.8261	HAL2	9090	0	0	0	0.09	
-9093	C4	SLES	1	34.7747	29.8678	30.6798	CTL2	9090	9094	9095	9096	-0.18	
-9094	H41	SLES	1	35.4119	30.6856	30.2831	HAL2	9093	0	0	0	0.09	
-9095	H42	SLES	1	35.4434	29.0869	31.1018	HAL2	9093	0	0	0	0.09	
-9096	C5	SLES	1	33.851	30.4443	31.8458	CTL2	9093	9097	9098	9099	-0.18	
-9097	H51	SLES	1	32.8207	30.5921	31.4532	HAL2	9096	0	0	0	0.09	
-9098	H52	SLES	1	33.7991	29.697	32.6703	HAL2	9096	0	0	0	0.09	
-9099	C6	SLES	1	34.3765	31.8113	32.4258	CTL2	9096	9100	9101	9102	-0.18	
-9100	H61	SLES	1	34.201	32.615	31.6759	HAL2	9099	0	0	0	0.09	
-9101	H62	SLES	1	33.7931	32.0639	33.342	HAL2	9099	0	0	0	0.09	
-9102	C7	SLES	1	35.8955	31.7726	32.7851	CTL2	9099	9103	9104	9105	-0.18	
-9103	H71	SLES	1	36.4915	31.9265	31.8583	HAL2	9102	0	0	0	0.09	
-9104	H72	SLES	1	36.1477	30.7683	33.1928	HAL2	9102	0	0	0	0.09	
-9105	C8	SLES	1	36.291	32.8525	33.8228	CTL2	9102	9106	9107	9108	-0.18	
-9106	H81	SLES	1	35.8404	33.8268	33.5243	HAL2	9105	0	0	0	0.09	
-9107	H82	SLES	1	35.8752	32.5713	34.8171	HAL2	9105	0	0	0	0.09	
-9108	C9	SLES	1	37.8262	33.0213	33.9455	CTL2	9105	9109	9110	9111	-0.18	
-9109	H91	SLES	1	38.2448	33.2734	32.9447	HAL2	9108	0	0	0	0.09	
-9110	H92	SLES	1	38.2726	32.0547	34.2709	HAL2	9108	0	0	0	0.09	
-9111	C10	SLES	1	38.2259	34.1261	34.952	CTL2	9108	9112	9113	9114	-0.18	
-9112	H10	SLES	1	37.7988	35.0978	34.614	HAL2	9111	0	0	0	0.09	
-9113	H10	SLES	1	37.7891	33.8861	35.9478	HAL2	9111	0	0	0	0.09	
-9114	C11	SLES	1	39.7641	34.2713	35.0951	CTL2	9111	9115	9116	9117	-0.18	
-9115	H11	SLES	1	40.1955	34.518	34.098	HAL2	9114	0	0	0	0.09	
-9116	H11	SLES	1	40.1886	33.2925	35.4157	HAL2	9114	0	0	0	0.09	
-9117	C12	SLES	1	40.1973	35.3605	36.1102	CTL3	9114	9118	9119	9120	-0.27	
-9118	H12	SLES	1	40.8186	36.1334	35.6063	HAL3	9117	0	0	0	0.09	
-9119	H12	SLES	1	40.7939	34.9071	36.9325	HAL3	9117	0	0	0	0.09	
-9120	H12	SLES	1	39.3049	35.8554	36.5514	HAL3	9117	0	0	0	0.09	
-9121	NA	SLES	1	40.1864	15.9502	20.7304	NA	0	0	0	0	1	
-9122	S	SLES	1	37.6195	16.381	23.2948	SL	9123	9124	9125	9126	1.33	
-9123	OS1	SLES	1	39.0402	17.266	23.2193	OSL	9122	9127	0	0	-0.28	
-9124	OS2	SLES	1	36.9379	16.5947	22.0349	O2L	9122	0	0	0	-0.65	
-9125	OS3	SLES	1	38.0152	14.9931	23.4112	O2L	9122	0	0	0	-0.65	
-9126	OS4	SLES	1	36.7438	16.74	24.3988	O2L	9122	0	0	0	-0.65	
-9127	C2	SLES	1	39.0058	18.3825	24.2055	CC32A	9123	9128	9129	9130	-0.11	
-9128	H2A	SLES	1	38.0966	19.0265	24.0446	HCA2	9127	0	0	0	0.09	
-9129	H2B	SLES	1	38.963	17.9436	25.2406	HCA2	9127	0	0	0	0.09	
-9130	C1	SLES	1	40.3306	19.2694	24.0481	CC32A	9127	9131	9132	9133	-0.01	
-9131	H1B	SLES	1	40.421	19.6328	22.9987	HCA2	9130	0	0	0	0.09	
-9132	H1A	SLES	1	41.2288	18.6567	24.2951	HCA2	9130	0	0	0	0.09	
-9133	O1	SLES	1	40.4973	20.5007	24.8442	OC30A	9130	9134	0	0	-0.34	
-9134	C2	SLES	1	39.6548	20.6361	26.008	CC32A	9133	9135	9136	9137	-0.01	
-9135	H2A	SLES	1	38.6433	20.6192	25.5572	HCA2	9134	0	0	0	0.09	
-9136	H2B	SLES	1	39.8261	19.6739	26.5411	HCA2	9134	0	0	0	0.09	
-9137	C1	SLES	1	39.7535	21.8208	27.02	CC32A	9134	9138	9139	9140	-0.01	
-9138	H1B	SLES	1	39.07	22.6397	26.7065	HCA2	9137	0	0	0	0.09	
-9139	H1A	SLES	1	39.4484	21.4691	28.0259	HCA2	9137	0	0	0	0.09	
-9140	O1	SLES	1	40.9806	22.5871	27.2427	OC30A	9137	9141	0	0	-0.34	
-9141	C1	SLES	1	41.1303	23.1436	28.5999	CTL2	9140	9142	9143	9144	-0.18	
-9142	H11	SLES	1	40.162	23.0102	29.1154	HAL2	9141	0	0	0	0.09	
-9143	H12	SLES	1	41.8683	22.4427	29.0417	HAL2	9141	0	0	0	0.09	
-9144	C2	SLES	1	41.6283	24.6317	28.7842	CTL2	9141	9145	9146	9147	-0.18	
-9145	H21	SLES	1	41.7708	25.0952	27.7824	HAL2	9144	0	0	0	0.09	
-9146	H22	SLES	1	42.6133	24.6218	29.3002	HAL2	9144	0	0	0	0.09	
-9147	C3	SLES	1	40.5982	25.5245	29.633	CTL2	9144	9148	9149	9150	-0.18	
-9148	H31	SLES	1	40.0397	26.1904	28.938	HAL2	9147	0	0	0	0.09	
-9149	H32	SLES	1	39.8644	24.8573	30.1276	HAL2	9147	0	0	0	0.09	
-9150	C4	SLES	1	41.3104	26.4131	30.7353	CTL2	9147	9151	9152	9153	-0.18	
-9151	H41	SLES	1	41.3775	27.458	30.3667	HAL2	9150	0	0	0	0.09	
-9152	H42	SLES	1	42.3448	26.0388	30.8934	HAL2	9150	0	0	0	0.09	
-9153	C5	SLES	1	40.5357	26.4	32.1298	CTL2	9150	9154	9155	9156	-0.18	
-9154	H51	SLES	1	39.4948	26.0446	31.9635	HAL2	9153	0	0	0	0.09	
-9155	H52	SLES	1	41.0373	25.6803	32.8164	HAL2	9153	0	0	0	0.09	
-9156	C6	SLES	1	40.487	27.8159	32.8182	CTL2	9153	9157	9158	9159	-0.18	
-9157	H61	SLES	1	39.7835	28.4692	32.2549	HAL2	9156	0	0	0	0.09	
-9158	H62	SLES	1	40.0929	27.701	33.855	HAL2	9156	0	0	0	0.09	
-9159	C7	SLES	1	41.8856	28.5075	32.8799	CTL2	9156	9160	9161	9162	-0.18	
-9160	H71	SLES	1	42.0989	28.9828	31.8969	HAL2	9159	0	0	0	0.09	
-9161	H72	SLES	1	42.6655	27.7355	33.0646	HAL2	9159	0	0	0	0.09	
-9162	C8	SLES	1	41.9698	29.5856	33.9889	CTL2	9159	9163	9164	9165	-0.18	
-9163	H81	SLES	1	41.061	30.2284	33.9418	HAL2	9162	0	0	0	0.09	
-9164	H82	SLES	1	41.9854	29.0842	34.9834	HAL2	9162	0	0	0	0.09	
-9165	C9	SLES	1	43.2288	30.4782	33.8522	CTL2	9162	9166	9167	9168	-0.18	
-9166	H91	SLES	1	43.2275	30.956	32.8462	HAL2	9165	0	0	0	0.09	
-9167	H92	SLES	1	44.1369	29.8386	33.9275	HAL2	9165	0	0	0	0.09	
-9168	C10	SLES	1	43.2975	31.5817	34.9343	CTL2	9165	9169	9170	9171	-0.18	
-9169	H10	SLES	1	42.4004	32.2358	34.8441	HAL2	9168	0	0	0	0.09	
-9170	H10	SLES	1	43.2764	31.1058	35.9408	HAL2	9168	0	0	0	0.09	
-9171	C11	SLES	1	44.5749	32.4542	34.813	CTL2	9168	9172	9173	9174	-0.18	
-9172	H11	SLES	1	44.5879	32.9334	33.8073	HAL2	9171	0	0	0	0.09	
-9173	H11	SLES	1	45.4688	31.7935	34.8857	HAL2	9171	0	0	0	0.09	
-9174	C12	SLES	1	44.6815	33.5601	35.8947	CTL3	9171	9175	9176	9177	-0.27	
-9175	H12	SLES	1	44.7301	34.5638	35.4179	HAL3	9174	0	0	0	0.09	
-9176	H12	SLES	1	45.5983	33.4141	36.5076	HAL3	9174	0	0	0	0.09	
-9177	H12	SLES	1	43.797	33.5299	36.5677	HAL3	9174	0	0	0	0.09	
-9178	NA	SLES	1	50.1713	15.2011	20.32	NA	0	0	0	0	1	
-9179	S	SLES	1	48.4237	14.4009	23.4274	SL	9180	9181	9182	9183	1.33	
-9180	OS1	SLES	1	49.1892	15.8593	23.1203	OSL	9179	9184	0	0	-0.28	
-9181	OS2	SLES	1	47.4369	14.2295	22.3813	O2L	9179	0	0	0	-0.65	
-9182	OS3	SLES	1	49.4434	13.3791	23.3145	O2L	9179	0	0	0	-0.65	
-9183	OS4	SLES	1	47.7834	14.319	24.7304	O2L	9179	0	0	0	-0.65	
-9184	C2	SLES	1	48.8739	16.8437	24.1935	CC32A	9180	9185	9186	9187	-0.11	
-9185	H2A	SLES	1	47.7605	16.9654	24.3062	HCA2	9184	0	0	0	0.09	
-9186	H2B	SLES	1	49.299	16.4632	25.1634	HCA2	9184	0	0	0	0.09	
-9187	C1	SLES	1	49.5374	18.2556	23.829	CC32A	9184	9188	9189	9190	-0.01	
-9188	H1B	SLES	1	49.1848	18.5926	22.8271	HCA2	9187	0	0	0	0.09	
-9189	H1A	SLES	1	50.6478	18.1581	23.8053	HCA2	9187	0	0	0	0.09	
-9190	O1	SLES	1	49.2915	19.4331	24.6838	OC30A	9187	9191	0	0	-0.34	
-9191	C2	SLES	1	48.7997	19.1728	26.0154	CC32A	9190	9192	9193	9194	-0.01	
-9192	H2A	SLES	1	47.8411	18.6594	25.8052	HCA2	9191	0	0	0	0.09	
-9193	H2B	SLES	1	49.5303	18.4254	26.3988	HCA2	9191	0	0	0	0.09	
-9194	C1	SLES	1	48.5712	20.2817	27.0903	CC32A	9191	9195	9196	9197	-0.01	
-9195	H1B	SLES	1	47.5286	20.6617	27.0213	HCA2	9194	0	0	0	0.09	
-9196	H1A	SLES	1	48.7258	19.8504	28.0995	HCA2	9194	0	0	0	0.09	
-9197	O1	SLES	1	49.3021	21.5499	27.1042	OC30A	9194	9198	0	0	-0.34	
-9198	C1	SLES	1	49.4984	22.1415	28.4405	CTL2	9197	9199	9200	9201	-0.18	
-9199	H11	SLES	1	48.8683	21.5698	29.1457	HAL2	9198	0	0	0	0.09	
-9200	H12	SLES	1	50.5627	21.8941	28.6332	HAL2	9198	0	0	0	0.09	
-9201	C2	SLES	1	49.2615	23.6891	28.6528	CTL2	9198	9202	9203	9204	-0.18	
-9202	H21	SLES	1	48.9174	24.14	27.6952	HAL2	9201	0	0	0	0.09	
-9203	H22	SLES	1	50.2264	24.1678	28.9294	HAL2	9201	0	0	0	0.09	
-9204	C3	SLES	1	48.1756	23.9941	29.7958	CTL2	9201	9205	9206	9207	-0.18	
-9205	H31	SLES	1	47.2177	24.2914	29.3139	HAL2	9204	0	0	0	0.09	
-9206	H32	SLES	1	47.9913	23.0677	30.3754	HAL2	9204	0	0	0	0.09	
-9207	C4	SLES	1	48.6286	25.1418	30.7906	CTL2	9204	9208	9209	9210	-0.18	
-9208	H41	SLES	1	48.1009	26.0805	30.5209	HAL2	9207	0	0	0	0.09	
-9209	H42	SLES	1	49.7197	25.3167	30.6735	HAL2	9207	0	0	0	0.09	
-9210	C5	SLES	1	48.3209	24.7896	32.3158	CTL2	9207	9211	9212	9213	-0.18	
-9211	H51	SLES	1	47.5672	23.9724	32.3548	HAL2	9210	0	0	0	0.09	
-9212	H52	SLES	1	49.254	24.4176	32.7973	HAL2	9210	0	0	0	0.09	
-9213	C6	SLES	1	47.779	26.0223	33.1331	CTL2	9210	9214	9215	9216	-0.18	
-9214	H61	SLES	1	46.7366	26.2417	32.8102	HAL2	9213	0	0	0	0.09	
-9215	H62	SLES	1	47.7539	25.7561	34.2157	HAL2	9213	0	0	0	0.09	
-9216	C7	SLES	1	48.6509	27.304	32.945	CTL2	9213	9217	9218	9219	-0.18	
-9217	H71	SLES	1	48.3657	27.7999	31.9908	HAL2	9216	0	0	0	0.09	
-9218	H72	SLES	1	49.7213	27.0085	32.872	HAL2	9216	0	0	0	0.09	
-9219	C8	SLES	1	48.4843	28.3149	34.1068	CTL2	9216	9220	9221	9222	-0.18	
-9220	H81	SLES	1	47.3996	28.4383	34.3295	HAL2	9219	0	0	0	0.09	
-9221	H82	SLES	1	48.9784	27.9068	35.0178	HAL2	9219	0	0	0	0.09	
-9222	C9	SLES	1	49.0943	29.7005	33.7776	CTL2	9219	9223	9224	9225	-0.18	
-9223	H91	SLES	1	48.6207	30.0945	32.8498	HAL2	9222	0	0	0	0.09	
-9224	H92	SLES	1	50.1838	29.5802	33.5826	HAL2	9222	0	0	0	0.09	
-9225	C10	SLES	1	48.896	30.7255	34.9193	CTL2	9222	9226	9227	9228	-0.18	
-9226	H10	SLES	1	47.8054	30.8635	35.0987	HAL2	9225	0	0	0	0.09	
-9227	H10	SLES	1	49.35	30.3224	35.8528	HAL2	9225	0	0	0	0.09	
-9228	C11	SLES	1	49.5349	32.1028	34.5989	CTL2	9225	9229	9230	9231	-0.18	
-9229	H11	SLES	1	49.0729	32.5049	33.6683	HAL2	9228	0	0	0	0.09	
-9230	H11	SLES	1	50.6218	31.9571	34.4025	HAL2	9228	0	0	0	0.09	
-9231	C12	SLES	1	49.3675	33.1482	35.7319	CTL3	9228	9232	9233	9234	-0.27	
-9232	H12	SLES	1	48.8172	34.0393	35.3574	HAL3	9231	0	0	0	0.09	
-9233	H12	SLES	1	50.3628	33.4771	36.1045	HAL3	9231	0	0	0	0.09	
-9234	H12	SLES	1	48.7982	32.711	36.5809	HAL3	9231	0	0	0	0.09	
-9235	NA	SLES	1	59.7481	17.2063	20.0791	NA	0	0	0	0	1	
-9236	S	SLES	1	59.3567	15.9846	23.5003	SL	9237	9238	9239	9240	1.33	
-9237	OS1	SLES	1	59.2319	17.5935	23.0495	OSL	9236	9241	0	0	-0.28	
-9238	OS2	SLES	1	58.3679	15.2651	22.7243	O2L	9236	0	0	0	-0.65	
-9239	OS3	SLES	1	60.6871	15.5608	23.1168	O2L	9236	0	0	0	-0.65	
-9240	OS4	SLES	1	59.1486	15.7381	24.9183	O2L	9236	0	0	0	-0.65	
-9241	C2	SLES	1	58.7326	18.4119	24.1903	CC32A	9237	9242	9243	9244	-0.11	
-9242	H2A	SLES	1	57.757	18.003	24.5753	HCA2	9241	0	0	0	0.09	
-9243	H2B	SLES	1	59.4949	18.3749	25.017	HCA2	9241	0	0	0	0.09	
-9244	C1	SLES	1	58.5308	19.9261	23.7076	CC32A	9241	9245	9246	9247	-0.01	
-9245	H1B	SLES	1	57.8436	19.9561	22.8311	HCA2	9244	0	0	0	0.09	
-9246	H1A	SLES	1	59.5123	20.3634	23.4101	HCA2	9244	0	0	0	0.09	
-9247	O1	SLES	1	57.9478	20.9249	24.6243	OC30A	9244	9248	0	0	-0.34	
-9248	C2	SLES	1	57.9579	20.5953	26.0292	CC32A	9247	9249	9250	9251	-0.01	
-9249	H2A	SLES	1	57.3466	19.6718	26.0484	HCA2	9248	0	0	0	0.09	
-9250	H2B	SLES	1	59.0234	20.3239	26.204	HCA2	9248	0	0	0	0.09	
-9251	C1	SLES	1	57.4724	21.5638	27.1532	CC32A	9248	9252	9253	9254	-0.01	
-9252	H1B	SLES	1	56.3911	21.3969	27.3509	HCA2	9251	0	0	0	0.09	
-9253	H1A	SLES	1	58.0393	21.3584	28.0833	HCA2	9251	0	0	0	0.09	
-9254	O1	SLES	1	57.4825	23.0213	27.0176	OC30A	9251	9255	0	0	-0.34	
-9255	C1	SLES	1	57.6651	23.7634	28.2785	CTL2	9254	9256	9257	9258	-0.18	
-9256	H11	SLES	1	57.5668	23.0342	29.103	HAL2	9255	0	0	0	0.09	
-9257	H12	SLES	1	58.7288	24.0689	28.1985	HAL2	9255	0	0	0	0.09	
-9258	C2	SLES	1	56.7661	25.0275	28.5789	CTL2	9255	9259	9260	9261	-0.18	
-9259	H21	SLES	1	56.0411	25.1656	27.7459	HAL2	9258	0	0	0	0.09	
-9260	H22	SLES	1	57.4144	25.93	28.6218	HAL2	9258	0	0	0	0.09	
-9261	C3	SLES	1	55.9581	24.8935	29.9601	CTL2	9258	9262	9263	9264	-0.18	
-9262	H31	SLES	1	54.8951	24.6535	29.7349	HAL2	9261	0	0	0	0.09	
-9263	H32	SLES	1	56.3798	24.052	30.5452	HAL2	9261	0	0	0	0.09	
-9264	C4	SLES	1	56.0125	26.2103	30.8404	CTL2	9261	9265	9266	9267	-0.18	
-9265	H41	SLES	1	55.0523	26.7563	30.7305	HAL2	9264	0	0	0	0.09	
-9266	H42	SLES	1	56.8253	26.8679	30.4635	HAL2	9264	0	0	0	0.09	
-9267	C5	SLES	1	56.2665	25.9063	32.3857	CTL2	9264	9268	9269	9270	-0.18	
-9268	H51	SLES	1	56.0315	24.8382	32.589	HAL2	9267	0	0	0	0.09	
-9269	H52	SLES	1	57.3445	26.0691	32.6149	HAL2	9267	0	0	0	0.09	
-9270	C6	SLES	1	55.3979	26.8099	33.3398	CTL2	9267	9271	9272	9273	-0.18	
-9271	H61	SLES	1	54.3368	26.4774	33.2877	HAL2	9270	0	0	0	0.09	
-9272	H62	SLES	1	55.7495	26.6712	34.3889	HAL2	9270	0	0	0	0.09	
-9273	C7	SLES	1	55.4752	28.3259	32.9741	CTL2	9270	9274	9275	9276	-0.18	
-9274	H71	SLES	1	54.7791	28.5316	32.1309	HAL2	9273	0	0	0	0.09	
-9275	H72	SLES	1	56.5071	28.5661	32.6339	HAL2	9273	0	0	0	0.09	
-9276	C8	SLES	1	55.109	29.2465	34.1648	CTL2	9273	9277	9278	9279	-0.18	
-9277	H81	SLES	1	54.1817	28.8636	34.6495	HAL2	9276	0	0	0	0.09	
-9278	H82	SLES	1	55.9298	29.2123	34.917	HAL2	9276	0	0	0	0.09	
-9279	C9	SLES	1	54.8827	30.7159	33.7289	CTL2	9276	9280	9281	9282	-0.18	
-9280	H91	SLES	1	54.0822	30.7459	32.9551	HAL2	9279	0	0	0	0.09	
-9281	H92	SLES	1	55.8187	31.1066	33.27	HAL2	9279	0	0	0	0.09	
-9282	C10	SLES	1	54.4783	31.6319	34.9083	CTL2	9279	9283	9284	9285	-0.18	
-9283	H10	SLES	1	53.5291	31.2547	35.3528	HAL2	9282	0	0	0	0.09	
-9284	H10	SLES	1	55.2678	31.5852	35.6922	HAL2	9282	0	0	0	0.09	
-9285	C11	SLES	1	54.2824	33.1086	34.4737	CTL2	9282	9286	9287	9288	-0.18	
-9286	H11	SLES	1	53.4872	33.1508	33.6946	HAL2	9285	0	0	0	0.09	
-9287	H11	SLES	1	55.2282	33.4756	34.0135	HAL2	9285	0	0	0	0.09	
-9288	C12	SLES	1	53.8924	34.0561	35.6375	CTL3	9285	9289	9290	9291	-0.27	
-9289	H12	SLES	1	52.9122	34.5395	35.4306	HAL3	9288	0	0	0	0.09	
-9290	H12	SLES	1	54.6602	34.8513	35.7624	HAL3	9288	0	0	0	0.09	
-9291	H12	SLES	1	53.8131	33.4875	36.5897	HAL3	9288	0	0	0	0.09	
-9292	NA	SLES	1	68.3306	21.6864	20.0315	NA	0	0	0	0	1	
-9293	S	SLES	1	69.2269	20.9998	23.5065	SL	9294	9295	9296	9297	1.33	
-9294	OS1	SLES	1	68.249	22.268	23.0139	OSL	9293	9298	0	0	-0.28	
-9295	OS2	SLES	1	68.5939	19.7873	23.0305	O2L	9293	0	0	0	-0.65	
-9296	OS3	SLES	1	70.4972	21.1873	22.8374	O2L	9293	0	0	0	-0.65	
-9297	OS4	SLES	1	69.4319	20.9201	24.9439	O2L	9293	0	0	0	-0.65	
-9298	C2	SLES	1	67.633	22.9341	24.1959	CC32A	9294	9299	9300	9301	-0.11	
-9299	H2A	SLES	1	67.0732	22.1875	24.8255	HCA2	9298	0	0	0	0.09	
-9300	H2B	SLES	1	68.4531	23.3914	24.8159	HCA2	9298	0	0	0	0.09	
-9301	C1	SLES	1	66.6301	24.0789	23.696	CC32A	9298	9302	9303	9304	-0.01	
-9302	H1B	SLES	1	65.8682	23.6423	23.0101	HCA2	9301	0	0	0	0.09	
-9303	H1A	SLES	1	67.1971	24.8674	23.1484	HCA2	9301	0	0	0	0.09	
-9304	O1	SLES	1	65.813	24.8265	24.6714	OC30A	9301	9305	0	0	-0.34	
-9305	C2	SLES	1	66.2422	24.7737	26.0482	CC32A	9304	9306	9307	9308	-0.01	
-9306	H2A	SLES	1	66.1775	23.689	26.263	HCA2	9305	0	0	0	0.09	
-9307	H2B	SLES	1	67.3152	25.0616	25.9759	HCA2	9305	0	0	0	0.09	
-9308	C1	SLES	1	65.5613	25.574	27.2027	CC32A	9305	9309	9310	9311	-0.01	
-9309	H1B	SLES	1	64.7583	24.9582	27.6632	HCA2	9308	0	0	0	0.09	
-9310	H1A	SLES	1	66.3165	25.8108	27.9788	HCA2	9308	0	0	0	0.09	
-9311	O1	SLES	1	64.8307	26.8247	26.9912	OC30A	9308	9312	0	0	-0.34	
-9312	C1	SLES	1	64.8551	27.7611	28.1298	CTL2	9311	9313	9314	9315	-0.18	
-9313	H11	SLES	1	65.2808	27.2156	28.9914	HAL2	9312	0	0	0	0.09	
-9314	H12	SLES	1	65.5969	28.5086	27.7802	HAL2	9312	0	0	0	0.09	
-9315	C2	SLES	1	63.5252	28.492	28.5698	CTL2	9312	9316	9317	9318	-0.18	
-9316	H21	SLES	1	62.6862	28.1389	27.9294	HAL2	9315	0	0	0	0.09	
-9317	H22	SLES	1	63.6432	29.5857	28.4074	HAL2	9315	0	0	0	0.09	
-9318	C3	SLES	1	63.1573	28.225	30.1099	CTL2	9315	9319	9320	9321	-0.18	
-9319	H31	SLES	1	62.3276	27.485	30.16	HAL2	9318	0	0	0	0.09	
-9320	H32	SLES	1	64.0368	27.7844	30.6204	HAL2	9318	0	0	0	0.09	
-9321	C4	SLES	1	62.7207	29.5398	30.8798	CTL2	9318	9322	9323	9324	-0.18	
-9322	H41	SLES	1	61.6148	29.5503	30.9751	HAL2	9321	0	0	0	0.09	
-9323	H42	SLES	1	63.0214	30.4284	30.2841	HAL2	9321	0	0	0	0.09	
-9324	C5	SLES	1	63.3711	29.6456	32.3327	CTL2	9321	9325	9326	9327	-0.18	
-9325	H51	SLES	1	63.7318	28.6401	32.6431	HAL2	9324	0	0	0	0.09	
-9326	H52	SLES	1	64.252	30.326	32.2868	HAL2	9324	0	0	0	0.09	
-9327	C6	SLES	1	62.3643	30.1835	33.4181	CTL2	9324	9328	9329	9330	-0.18	
-9328	H61	SLES	1	61.6136	29.3922	33.6404	HAL2	9327	0	0	0	0.09	
-9329	H62	SLES	1	62.9253	30.3977	34.3577	HAL2	9327	0	0	0	0.09	
-9330	C7	SLES	1	61.6197	31.4788	32.9643	CTL2	9327	9331	9332	9333	-0.18	
-9331	H71	SLES	1	60.7704	31.1964	32.3034	HAL2	9330	0	0	0	0.09	
-9332	H72	SLES	1	62.3185	32.1122	32.3736	HAL2	9330	0	0	0	0.09	
-9333	C8	SLES	1	61.0763	32.3038	34.1573	CTL2	9330	9334	9335	9336	-0.18	
-9334	H81	SLES	1	60.5633	31.6185	34.8704	HAL2	9333	0	0	0	0.09	
-9335	H82	SLES	1	61.9311	32.7786	34.6908	HAL2	9333	0	0	0	0.09	
-9336	C9	SLES	1	60.083	33.4059	33.711	CTL2	9333	9337	9338	9339	-0.18	
-9337	H91	SLES	1	59.2436	32.9334	33.1519	HAL2	9336	0	0	0	0.09	
-9338	H92	SLES	1	60.6044	34.1063	33.0203	HAL2	9336	0	0	0	0.09	
-9339	C10	SLES	1	59.5072	34.2073	34.9025	CTL2	9336	9340	9341	9342	-0.18	
-9340	H10	SLES	1	58.9653	33.5103	35.5817	HAL2	9339	0	0	0	0.09	
-9341	H10	SLES	1	60.3473	34.6618	35.4749	HAL2	9339	0	0	0	0.09	
-9342	C11	SLES	1	58.5365	35.3301	34.4497	CTL2	9339	9343	9344	9345	-0.18	
-9343	H11	SLES	1	57.6946	34.8698	33.8835	HAL2	9342	0	0	0	0.09	
-9344	H11	SLES	1	59.0776	36.0142	33.7567	HAL2	9342	0	0	0	0.09	
-9345	C12	SLES	1	57.9546	36.1631	35.621	CTL3	9342	9346	9347	9348	-0.27	
-9346	H12	SLES	1	56.8444	36.094	35.6303	HAL3	9345	0	0	0	0.09	
-9347	H12	SLES	1	58.2422	37.2325	35.515	HAL3	9345	0	0	0	0.09	
-9348	H12	SLES	1	58.3412	35.787	36.5931	HAL3	9345	0	0	0	0.09	
-9349	NA	SLES	1	75.4119	28.3422	20.1817	NA	0	0	0	0	1	
-9350	S	SLES	1	76.9563	28.9028	23.4453	SL	9351	9352	9353	9354	1.33	
-9351	OS1	SLES	1	75.4276	29.4382	23.0168	OSL	9350	9355	0	0	-0.28	
-9352	OS2	SLES	1	76.9496	27.4652	23.2698	O2L	9350	0	0	0	-0.65	
-9353	OS3	SLES	1	77.8741	29.5093	22.5038	O2L	9350	0	0	0	-0.65	
-9354	OS4	SLES	1	77.3518	29.2339	24.8049	O2L	9350	0	0	0	-0.65	
-9355	C2	SLES	1	74.7166	29.9779	24.21	CC32A	9351	9356	9357	9358	-0.11	
-9356	H2A	SLES	1	74.6813	29.2099	25.0322	HCA2	9355	0	0	0	0.09	
-9357	H2B	SLES	1	75.2748	30.8823	24.5796	HCA2	9355	0	0	0	0.09	
-9358	C1	SLES	1	73.2262	30.394	23.7952	CC32A	9355	9359	9360	9361	-0.01	
-9359	H1B	SLES	1	72.6997	29.5204	23.3467	HCA2	9358	0	0	0	0.09	
-9360	H1A	SLES	1	73.2573	31.2187	23.0456	HCA2	9358	0	0	0	0.09	
-9361	O1	SLES	1	72.2761	30.8671	24.8206	OC30A	9358	9362	0	0	-0.34	
-9362	C2	SLES	1	72.8438	31.3122	26.0705	CC32A	9361	9363	9364	9365	-0.01	
-9363	H2A	SLES	1	73.3496	30.3939	26.4279	HCA2	9362	0	0	0	0.09	
-9364	H2B	SLES	1	73.6167	32.0406	25.7367	HCA2	9362	0	0	0	0.09	
-9365	C1	SLES	1	72.0072	31.9316	27.2339	CC32A	9362	9366	9367	9368	-0.01	
-9366	H1B	SLES	1	71.677	31.128	27.9276	HCA2	9365	0	0	0	0.09	
-9367	H1A	SLES	1	72.6378	32.6492	27.7962	HCA2	9365	0	0	0	0.09	
-9368	O1	SLES	1	70.7351	32.6259	27.0276	OC30A	9365	9369	0	0	-0.34	
-9369	C1	SLES	1	70.4369	33.6852	28.009	CTL2	9368	9370	9371	9372	-0.18	
-9370	H11	SLES	1	71.18	33.595	28.8218	HAL2	9369	0	0	0	0.09	
-9371	H12	SLES	1	70.6634	34.5974	27.4193	HAL2	9369	0	0	0	0.09	
-9372	C2	SLES	1	68.9865	33.7932	28.6263	CTL2	9369	9373	9374	9375	-0.18	
-9373	H21	SLES	1	68.3581	32.9655	28.2278	HAL2	9372	0	0	0	0.09	
-9374	H22	SLES	1	68.5286	34.755	28.3072	HAL2	9372	0	0	0	0.09	
-9375	C3	SLES	1	68.9938	33.7201	30.2305	CTL2	9372	9376	9377	9378	-0.18	
-9376	H31	SLES	1	68.6505	32.7102	30.5476	HAL2	9375	0	0	0	0.09	
-9377	H32	SLES	1	70.0321	33.8556	30.5936	HAL2	9375	0	0	0	0.09	
-9378	C4	SLES	1	68.066	34.8138	30.9049	CTL2	9375	9379	9380	9381	-0.18	
-9379	H41	SLES	1	67.1205	34.332	31.2308	HAL2	9378	0	0	0	0.09	
-9380	H42	SLES	1	67.8124	35.5915	30.1527	HAL2	9378	0	0	0	0.09	
-9381	C5	SLES	1	68.7554	35.5138	32.1618	CTL2	9378	9382	9383	9384	-0.18	
-9382	H51	SLES	1	69.6004	34.8807	32.5117	HAL2	9381	0	0	0	0.09	
-9383	H52	SLES	1	69.1727	36.4971	31.8454	HAL2	9381	0	0	0	0.09	
-9384	C6	SLES	1	67.759	35.742	33.3603	CTL2	9381	9385	9386	9387	-0.18	
-9385	H61	SLES	1	67.5305	34.761	33.8339	HAL2	9384	0	0	0	0.09	
-9386	H62	SLES	1	68.2539	36.3852	34.1251	HAL2	9384	0	0	0	0.09	
-9387	C7	SLES	1	66.4227	36.4169	32.9165	CTL2	9384	9388	9389	9390	-0.18	
-9388	H71	SLES	1	65.748	35.641	32.4916	HAL2	9387	0	0	0	0.09	
-9389	H72	SLES	1	66.6383	37.1599	32.1166	HAL2	9387	0	0	0	0.09	
-9390	C8	SLES	1	65.6972	37.1294	34.085	CTL2	9387	9391	9392	9393	-0.18	
-9391	H81	SLES	1	65.6824	36.4535	34.9707	HAL2	9390	0	0	0	0.09	
-9392	H82	SLES	1	66.2657	38.0464	34.3613	HAL2	9390	0	0	0	0.09	
-9393	C9	SLES	1	64.2428	37.5245	33.7256	CTL2	9390	9394	9395	9396	-0.18	
-9394	H91	SLES	1	63.6832	36.6111	33.4209	HAL2	9393	0	0	0	0.09	
-9395	H92	SLES	1	64.2602	38.2219	32.858	HAL2	9393	0	0	0	0.09	
-9396	C10	SLES	1	63.5009	38.2013	34.9024	CTL2	9393	9397	9398	9399	-0.18	
-9397	H10	SLES	1	63.4628	37.4948	35.7628	HAL2	9396	0	0	0	0.09	
-9398	H10	SLES	1	64.0717	39.1024	35.2221	HAL2	9396	0	0	0	0.09	
-9399	C11	SLES	1	62.055	38.6233	34.5292	CTL2	9396	9400	9401	9402	-0.18	
-9400	H11	SLES	1	61.4863	37.7178	34.2167	HAL2	9399	0	0	0	0.09	
-9401	H11	SLES	1	62.097	39.3153	33.6572	HAL2	9399	0	0	0	0.09	
-9402	C12	SLES	1	61.2897	39.3202	35.6838	CTL3	9399	9403	9404	9405	-0.27	
-9403	H12	SLES	1	60.3691	38.7496	35.9372	HAL3	9402	0	0	0	0.09	
-9404	H12	SLES	1	60.9969	40.3514	35.3865	HAL3	9402	0	0	0	0.09	
-9405	H12	SLES	1	61.9296	39.3813	36.591	HAL3	9402	0	0	0	0.09	
-9406	NA	SLES	1	80.4863	36.8306	20.5151	NA	0	0	0	0	1	
-9407	S	SLES	1	81.7293	38.8113	23.3226	SL	9408	9409	9410	9411	1.33	
-9408	OS1	SLES	1	80.114	38.4534	23.0582	OSL	9407	9412	0	0	-0.28	
-9409	OS2	SLES	1	82.4186	37.5412	23.4188	O2L	9407	0	0	0	-0.65	
-9410	OS3	SLES	1	82.1805	39.5285	22.1485	O2L	9407	0	0	0	-0.65	
-9411	OS4	SLES	1	81.9836	39.6043	24.5147	O2L	9407	0	0	0	-0.65	
-9412	C2	SLES	1	79.2945	38.8694	24.2311	CC32A	9408	9413	9414	9415	-0.11	
-9413	H2A	SLES	1	79.6839	38.3965	25.1754	HCA2	9412	0	0	0	0.09	
-9414	H2B	SLES	1	79.3567	39.9884	24.3314	HCA2	9412	0	0	0	0.09	
-9415	C1	SLES	1	77.7717	38.4311	23.9956	CC32A	9412	9416	9417	9418	-0.01	
-9416	H1B	SLES	1	77.7178	37.3341	23.808	HCA2	9415	0	0	0	0.09	
-9417	H1A	SLES	1	77.3547	38.9679	23.1119	HCA2	9415	0	0	0	0.09	
-9418	O1	SLES	1	76.7679	38.6387	25.0572	OC30A	9415	9419	0	0	-0.34	
-9419	C2	SLES	1	77.1103	39.5825	26.0938	CC32A	9418	9420	9421	9422	-0.01	
-9420	H2A	SLES	1	78.0194	39.1215	26.5271	HCA2	9419	0	0	0	0.09	
-9421	H2B	SLES	1	77.408	40.4824	25.5098	HCA2	9419	0	0	0	0.09	
-9422	C1	SLES	1	76.1408	40.001	27.2437	CC32A	9419	9423	9424	9425	-0.01	
-9423	H1B	SLES	1	76.2843	39.3296	28.1182	HCA2	9422	0	0	0	0.09	
-9424	H1A	SLES	1	76.3678	41.0408	27.5534	HCA2	9422	0	0	0	0.09	
-9425	O1	SLES	1	74.6828	39.9513	27.1234	OC30A	9422	9426	0	0	-0.34	
-9426	C1	SLES	1	73.9565	40.951	27.9278	CTL2	9425	9427	9428	9429	-0.18	
-9427	H11	SLES	1	74.6906	41.4152	28.6109	HAL2	9426	0	0	0	0.09	
-9428	H12	SLES	1	73.6752	41.6918	27.151	HAL2	9426	0	0	0	0.09	
-9429	C2	SLES	1	72.6746	40.5169	28.743	CTL2	9426	9430	9431	9432	-0.18	
-9430	H21	SLES	1	72.5122	39.4236	28.612	HAL2	9429	0	0	0	0.09	
-9431	H22	SLES	1	71.7879	41.0466	28.331	HAL2	9429	0	0	0	0.09	
-9432	C3	SLES	1	72.8022	40.8437	30.31	CTL2	9429	9433	9434	9435	-0.18	
-9433	H31	SLES	1	73.0153	39.8999	30.8596	HAL2	9432	0	0	0	0.09	
-9434	H32	SLES	1	73.6585	41.5294	30.4675	HAL2	9432	0	0	0	0.09	
-9435	C4	SLES	1	71.4949	41.5062	30.9134	CTL2	9432	9436	9437	9438	-0.18	
-9436	H41	SLES	1	70.9257	40.7343	31.4723	HAL2	9435	0	0	0	0.09	
-9437	H42	SLES	1	70.8531	41.8699	30.0823	HAL2	9435	0	0	0	0.09	
-9438	C5	SLES	1	71.8187	42.7255	31.8899	CTL2	9435	9439	9440	9441	-0.18	
-9439	H51	SLES	1	72.8828	42.6632	32.2079	HAL2	9438	0	0	0	0.09	
-9440	H52	SLES	1	71.6831	43.6812	31.3338	HAL2	9438	0	0	0	0.09	
-9441	C6	SLES	1	70.9037	42.7447	33.172	CTL2	9438	9442	9443	9444	-0.18	
-9442	H61	SLES	1	71.2109	41.9164	33.8493	HAL2	9441	0	0	0	0.09	
-9443	H62	SLES	1	71.06	43.7067	33.7138	HAL2	9441	0	0	0	0.09	
-9444	C7	SLES	1	69.3867	42.5914	32.8355	CTL2	9441	9445	9446	9447	-0.18	
-9445	H71	SLES	1	69.1573	41.5144	32.677	HAL2	9444	0	0	0	0.09	
-9446	H72	SLES	1	69.1676	43.1323	31.888	HAL2	9444	0	0	0	0.09	
-9447	C8	SLES	1	68.4686	43.1419	33.9551	CTL2	9444	9448	9449	9450	-0.18	
-9448	H81	SLES	1	68.8341	42.7723	34.9405	HAL2	9447	0	0	0	0.09	
-9449	H82	SLES	1	68.5286	44.2541	33.9609	HAL2	9447	0	0	0	0.09	
-9450	C9	SLES	1	66.9904	42.7158	33.7712	CTL2	9447	9451	9452	9453	-0.18	
-9451	H91	SLES	1	66.9348	41.604	33.7357	HAL2	9450	0	0	0	0.09	
-9452	H92	SLES	1	66.6176	43.1094	32.7988	HAL2	9450	0	0	0	0.09	
-9453	C10	SLES	1	66.0759	43.2302	34.908	CTL2	9450	9454	9455	9456	-0.18	
-9454	H10	SLES	1	66.4348	42.8176	35.8784	HAL2	9453	0	0	0	0.09	
-9455	H10	SLES	1	66.148	44.3403	34.9585	HAL2	9453	0	0	0	0.09	
-9456	C11	SLES	1	64.5912	42.8276	34.7045	CTL2	9453	9457	9458	9459	-0.18	
-9457	H11	SLES	1	64.5234	41.7164	34.6615	HAL2	9456	0	0	0	0.09	
-9458	H11	SLES	1	64.2422	43.227	33.7249	HAL2	9456	0	0	0	0.09	
-9459	C12	SLES	1	63.6454	43.343	35.8199	CTL3	9456	9460	9461	9462	-0.27	
-9460	H12	SLES	1	63.1374	42.4896	36.321	HAL3	9459	0	0	0	0.09	
-9461	H12	SLES	1	62.8695	44.0139	35.3893	HAL3	9459	0	0	0	0.09	
-9462	H12	SLES	1	64.2205	43.9109	36.5834	HAL3	9459	0	0	0	0.09	
-9463	NA	SLES	1	74.6405	46.6805	13.1022	NA	0	0	0	0	1	
-9464	S	SLES	1	75.2618	49.6329	15.1632	SL	9465	9466	9467	9468	1.33	
-9465	OS1	SLES	1	74.064	48.5015	15.4668	OSL	9464	9469	0	0	-0.28	
-9466	OS2	SLES	1	76.5152	48.9074	15.1508	O2L	9464	0	0	0	-0.65	
-9467	OS3	SLES	1	74.9882	50.1654	13.8448	O2L	9464	0	0	0	-0.65	
-9468	OS4	SLES	1	75.3265	50.7166	16.1307	O2L	9464	0	0	0	-0.65	
-9469	C2	SLES	1	73.4409	48.7537	16.7967	CC32A	9465	9470	9471	9472	-0.11	
-9470	H2A	SLES	1	74.2237	48.769	17.6054	HCA2	9469	0	0	0	0.09	
-9471	H2B	SLES	1	72.9281	49.7548	16.7668	HCA2	9469	0	0	0	0.09	
-9472	C1	SLES	1	72.3678	47.605	17.1053	CC32A	9469	9473	9474	9475	-0.01	
-9473	H1B	SLES	1	72.856	46.605	17.0482	HCA2	9472	0	0	0	0.09	
-9474	H1A	SLES	1	71.5427	47.6455	16.3566	HCA2	9472	0	0	0	0.09	
-9475	O1	SLES	1	71.6774	47.5663	18.409	OC30A	9472	9476	0	0	-0.34	
-9476	C2	SLES	1	71.6998	48.7812	19.1876	CC32A	9475	9477	9478	9479	-0.01	
-9477	H2A	SLES	1	72.7862	48.927	19.3466	HCA2	9476	0	0	0	0.09	
-9478	H2B	SLES	1	71.339	49.5404	18.4576	HCA2	9476	0	0	0	0.09	
-9479	C1	SLES	1	70.9472	48.9589	20.5439	CC32A	9476	9480	9481	9482	-0.01	
-9480	H1B	SLES	1	71.6163	48.6728	21.3844	HCA2	9479	0	0	0	0.09	
-9481	H1A	SLES	1	70.6588	50.0222	20.6657	HCA2	9479	0	0	0	0.09	
-9482	O1	SLES	1	69.7497	48.198	20.9039	OC30A	9479	9483	0	0	-0.34	
-9483	C1	SLES	1	68.8131	48.898	21.8021	CTL2	9482	9484	9485	9486	-0.18	
-9484	H11	SLES	1	69.3276	49.8054	22.1665	HAL2	9483	0	0	0	0.09	
-9485	H12	SLES	1	68.0167	49.2014	21.0915	HAL2	9483	0	0	0	0.09	
-9486	C2	SLES	1	68.1748	48.1243	23.0229	CTL2	9483	9487	9488	9489	-0.18	
-9487	H21	SLES	1	68.5849	47.0901	23.0537	HAL2	9486	0	0	0	0.09	
-9488	H22	SLES	1	67.0756	48.0523	22.8704	HAL2	9486	0	0	0	0.09	
-9489	C3	SLES	1	68.4654	48.8454	24.4279	CTL2	9486	9490	9491	9492	-0.18	
-9490	H31	SLES	1	69.2604	48.2821	24.9655	HAL2	9489	0	0	0	0.09	
-9491	H32	SLES	1	68.8443	49.8692	24.237	HAL2	9489	0	0	0	0.09	
-9492	C4	SLES	1	67.1831	48.9359	25.3551	CTL2	9489	9493	9494	9495	-0.18	
-9493	H41	SLES	1	67.2484	48.1506	26.1368	HAL2	9492	0	0	0	0.09	
-9494	H42	SLES	1	66.2764	48.7366	24.7443	HAL2	9492	0	0	0	0.09	
-9495	C5	SLES	1	67.0321	50.3604	26.0573	CTL2	9492	9496	9497	9498	-0.18	
-9496	H51	SLES	1	68.0103	50.8888	26.0206	HAL2	9495	0	0	0	0.09	
-9497	H52	SLES	1	66.293	50.9688	25.4877	HAL2	9495	0	0	0	0.09	
-9498	C6	SLES	1	66.5637	50.2583	27.5578	CTL2	9495	9499	9500	9501	-0.18	
-9499	H61	SLES	1	67.4045	49.8686	28.1745	HAL2	9498	0	0	0	0.09	
-9500	H62	SLES	1	66.311	51.2793	27.9284	HAL2	9498	0	0	0	0.09	
-9501	C7	SLES	1	65.3228	49.3289	27.7429	CTL2	9498	9502	9503	9504	-0.18	
-9502	H71	SLES	1	65.6632	48.27	27.7677	HAL2	9501	0	0	0	0.09	
-9503	H72	SLES	1	64.6433	49.4508	26.87	HAL2	9501	0	0	0	0.09	
-9504	C8	SLES	1	64.5362	49.6352	29.0416	CTL2	9501	9505	9506	9507	-0.18	
-9505	H81	SLES	1	65.2545	49.7367	29.8872	HAL2	9504	0	0	0	0.09	
-9506	H82	SLES	1	64.0036	50.6064	28.924	HAL2	9504	0	0	0	0.09	
-9507	C9	SLES	1	63.505	48.5305	29.3834	CTL2	9504	9508	9509	9510	-0.18	
-9508	H91	SLES	1	64.0343	47.5546	29.4716	HAL2	9507	0	0	0	0.09	
-9509	H92	SLES	1	62.771	48.449	28.5503	HAL2	9507	0	0	0	0.09	
-9510	C10	SLES	1	62.7442	48.8123	30.7006	CTL2	9507	9511	9512	9513	-0.18	
-9511	H10	SLES	1	63.4763	48.8706	31.5381	HAL2	9510	0	0	0	0.09	
-9512	H10	SLES	1	62.2328	49.7983	30.6214	HAL2	9510	0	0	0	0.09	
-9513	C11	SLES	1	61.6908	47.7197	31.0239	CTL2	9510	9514	9515	9516	-0.18	
-9514	H11	SLES	1	62.2081	46.7366	31.1088	HAL2	9513	0	0	0	0.09	
-9515	H11	SLES	1	60.9717	47.6526	30.1757	HAL2	9513	0	0	0	0.09	
-9516	C12	SLES	1	60.8989	47.9822	32.3309	CTL3	9513	9517	9518	9519	-0.27	
-9517	H12	SLES	1	61.0439	47.1425	33.046	HAL3	9516	0	0	0	0.09	
-9518	H12	SLES	1	59.8124	48.0775	32.112	HAL3	9516	0	0	0	0.09	
-9519	H12	SLES	1	61.2471	48.9218	32.8124	HAL3	9516	0	0	0	0.09	
-9520	NA	SLES	1	74.1687	57.3649	13.713	NA	0	0	0	0	1	
-9521	S	SLES	1	72.3704	60.2947	14.9509	SL	9522	9523	9524	9525	1.33	
-9522	OS1	SLES	1	72.2046	58.7486	15.575	OSL	9521	9526	0	0	-0.28	
-9523	OS2	SLES	1	73.7737	60.6333	15.0662	O2L	9521	0	0	0	-0.65	
-9524	OS3	SLES	1	71.9981	60.2075	13.5543	O2L	9521	0	0	0	-0.65	
-9525	OS4	SLES	1	71.5613	61.3032	15.6164	O2L	9521	0	0	0	-0.65	
-9526	C2	SLES	1	71.3955	58.7809	16.8258	CC32A	9522	9527	9528	9529	-0.11	
-9527	H2A	SLES	1	71.8464	59.4927	17.5722	HCA2	9526	0	0	0	0.09	
-9528	H2B	SLES	1	70.3568	59.1303	16.5704	HCA2	9526	0	0	0	0.09	
-9529	C1	SLES	1	71.3319	57.3085	17.4538	CC32A	9526	9530	9531	9532	-0.01	
-9530	H1B	SLES	1	72.3638	56.9249	17.6258	HCA2	9529	0	0	0	0.09	
-9531	H1A	SLES	1	70.8044	56.6198	16.7535	HCA2	9529	0	0	0	0.09	
-9532	O1	SLES	1	70.6708	57.085	18.7542	OC30A	9529	9533	0	0	-0.34	
-9533	C2	SLES	1	69.7696	58.1176	19.2061	CC32A	9532	9534	9535	9536	-0.01	
-9534	H2A	SLES	1	70.4462	58.9915	19.2785	HCA2	9533	0	0	0	0.09	
-9535	H2B	SLES	1	69.1008	58.2537	18.3265	HCA2	9533	0	0	0	0.09	
-9536	C1	SLES	1	68.9115	58.015	20.5063	CC32A	9533	9537	9538	9539	-0.01	
-9537	H1B	SLES	1	69.4756	58.4443	21.3628	HCA2	9536	0	0	0	0.09	
-9538	H1A	SLES	1	67.9748	58.5924	20.3729	HCA2	9536	0	0	0	0.09	
-9539	O1	SLES	1	68.4913	56.7416	21.0932	OC30A	9536	9540	0	0	-0.34	
-9540	C1	SLES	1	67.214	56.7855	21.8284	CTL2	9539	9541	9542	9543	-0.18	
-9541	H11	SLES	1	66.9357	57.8495	21.9349	HAL2	9540	0	0	0	0.09	
-9542	H12	SLES	1	66.527	56.3092	21.0987	HAL2	9540	0	0	0	0.09	
-9543	C2	SLES	1	67.0924	56.0631	23.2283	CTL2	9540	9544	9545	9546	-0.18	
-9544	H21	SLES	1	68.0778	55.6208	23.4971	HAL2	9543	0	0	0	0.09	
-9545	H22	SLES	1	66.3563	55.2339	23.1444	HAL2	9543	0	0	0	0.09	
-9546	C3	SLES	1	66.6297	57.0617	24.3976	CTL2	9543	9547	9548	9549	-0.18	
-9547	H31	SLES	1	67.5129	57.3181	25.0242	HAL2	9546	0	0	0	0.09	
-9548	H32	SLES	1	66.2516	57.9992	23.9435	HAL2	9546	0	0	0	0.09	
-9549	C4	SLES	1	65.5013	56.4481	25.3262	CTL2	9546	9550	9551	9552	-0.18	
-9550	H41	SLES	1	65.9638	56.1037	26.2746	HAL2	9549	0	0	0	0.09	
-9551	H42	SLES	1	65.0546	55.5641	24.8222	HAL2	9549	0	0	0	0.09	
-9552	C5	SLES	1	64.3439	57.4943	25.6595	CTL2	9549	9553	9554	9555	-0.18	
-9553	H51	SLES	1	64.7135	58.5228	25.4523	HAL2	9552	0	0	0	0.09	
-9554	H52	SLES	1	63.4761	57.3009	24.9883	HAL2	9552	0	0	0	0.09	
-9555	C6	SLES	1	63.8604	57.4183	27.1568	CTL2	9552	9556	9557	9558	-0.18	
-9556	H61	SLES	1	64.6504	57.8444	27.8151	HAL2	9555	0	0	0	0.09	
-9557	H62	SLES	1	62.9435	58.0421	27.2732	HAL2	9555	0	0	0	0.09	
-9558	C7	SLES	1	63.545	55.9602	27.6179	CTL2	9555	9559	9560	9561	-0.18	
-9559	H71	SLES	1	64.4965	55.4519	27.8899	HAL2	9558	0	0	0	0.09	
-9560	H72	SLES	1	63.0872	55.4017	26.7711	HAL2	9558	0	0	0	0.09	
-9561	C8	SLES	1	62.5843	55.9129	28.832	CTL2	9558	9562	9563	9564	-0.18	
-9562	H81	SLES	1	62.9255	56.6493	29.5953	HAL2	9561	0	0	0	0.09	
-9563	H82	SLES	1	61.5633	56.2095	28.4999	HAL2	9561	0	0	0	0.09	
-9564	C9	SLES	1	62.5175	54.5069	29.4794	CTL2	9561	9565	9566	9567	-0.18	
-9565	H91	SLES	1	63.5433	54.1986	29.7843	HAL2	9564	0	0	0	0.09	
-9566	H92	SLES	1	62.1498	53.7766	28.7238	HAL2	9564	0	0	0	0.09	
-9567	C10	SLES	1	61.5895	54.4638	30.7164	CTL2	9564	9568	9569	9570	-0.18	
-9568	H10	SLES	1	61.9706	55.1774	31.4821	HAL2	9567	0	0	0	0.09	
-9569	H10	SLES	1	60.5688	54.7933	30.417	HAL2	9567	0	0	0	0.09	
-9570	C11	SLES	1	61.501	53.0473	31.3438	CTL2	9567	9571	9572	9573	-0.18	
-9571	H11	SLES	1	62.5232	52.7251	31.6479	HAL2	9570	0	0	0	0.09	
-9572	H11	SLES	1	61.1367	52.3341	30.5695	HAL2	9570	0	0	0	0.09	
-9573	C12	SLES	1	60.5645	52.9674	32.5771	CTL3	9570	9574	9575	9576	-0.27	
-9574	H12	SLES	1	61.1309	52.625	33.4711	HAL3	9573	0	0	0	0.09	
-9575	H12	SLES	1	59.7353	52.2505	32.387	HAL3	9573	0	0	0	0.09	
-9576	H12	SLES	1	60.1265	53.9655	32.796	HAL3	9573	0	0	0	0.09	
-9577	NA	SLES	1	69.0197	67.6138	14.3579	NA	0	0	0	0	1	
-9578	S	SLES	1	65.5305	68.632	14.7313	SL	9579	9580	9581	9582	1.33	
-9579	OS1	SLES	1	66.2952	67.4996	15.7009	OSL	9578	9583	0	0	-0.28	
-9580	OS2	SLES	1	66.2979	69.8546	14.8483	O2L	9578	0	0	0	-0.65	
-9581	OS3	SLES	1	65.6148	68.1256	13.3773	O2L	9578	0	0	0	-0.65	
-9582	OS4	SLES	1	64.1413	68.8839	15.0796	O2L	9578	0	0	0	-0.65	
-9583	C2	SLES	1	65.4239	67.1343	16.8532	CC32A	9579	9584	9585	9586	-0.11	
-9584	H2A	SLES	1	65.1236	68.0526	17.4308	HCA2	9583	0	0	0	0.09	
-9585	H2B	SLES	1	64.4974	66.6343	16.4561	HCA2	9583	0	0	0	0.09	
-9586	C1	SLES	1	66.2132	66.1253	17.8152	CC32A	9583	9587	9588	9589	-0.01	
-9587	H1B	SLES	1	67.1749	66.585	18.1395	HCA2	9586	0	0	0	0.09	
-9588	H1A	SLES	1	66.4332	65.1769	17.2717	HCA2	9586	0	0	0	0.09	
-9589	O1	SLES	1	65.6066	65.6861	19.0868	OC30A	9586	9590	0	0	-0.34	
-9590	C2	SLES	1	64.1803	65.863	19.2168	CC32A	9589	9591	9592	9593	-0.01	
-9591	H2A	SLES	1	64.0794	66.9615	19.1167	HCA2	9590	0	0	0	0.09	
-9592	H2B	SLES	1	63.7937	65.3815	18.2905	HCA2	9590	0	0	0	0.09	
-9593	C1	SLES	1	63.3519	65.3745	20.4466	CC32A	9590	9594	9595	9596	-0.01	
-9594	H1B	SLES	1	63.2959	66.1841	21.2065	HCA2	9593	0	0	0	0.09	
-9595	H1A	SLES	1	62.3233	65.1237	20.1185	HCA2	9593	0	0	0	0.09	
-9596	O1	SLES	1	63.7612	64.2564	21.2981	OC30A	9593	9597	0	0	-0.34	
-9597	C1	SLES	1	62.6531	63.5078	21.9192	CTL2	9596	9598	9599	9600	-0.18	
-9598	H11	SLES	1	61.7296	64.0893	21.7461	HAL2	9597	0	0	0	0.09	
-9599	H12	SLES	1	62.6244	62.5973	21.2856	HAL2	9597	0	0	0	0.09	
-9600	C2	SLES	1	62.7436	63.0976	23.4423	CTL2	9597	9601	9602	9603	-0.18	
-9601	H21	SLES	1	63.6898	63.4965	23.8717	HAL2	9600	0	0	0	0.09	
-9602	H22	SLES	1	62.7746	61.9885	23.5167	HAL2	9600	0	0	0	0.09	
-9603	C3	SLES	1	61.5046	63.6486	24.3023	CTL2	9600	9604	9605	9606	-0.18	
-9604	H31	SLES	1	61.8416	64.5235	24.9018	HAL2	9603	0	0	0	0.09	
-9605	H32	SLES	1	60.7109	63.9958	23.6111	HAL2	9603	0	0	0	0.09	
-9606	C4	SLES	1	60.8955	62.5597	25.2797	CTL2	9603	9607	9608	9609	-0.18	
-9607	H41	SLES	1	61.2554	62.7601	26.3105	HAL2	9606	0	0	0	0.09	
-9608	H42	SLES	1	61.2608	61.5542	24.979	HAL2	9606	0	0	0	0.09	
-9609	C5	SLES	1	59.3002	62.5541	25.2756	CTL2	9606	9610	9611	9612	-0.18	
-9610	H51	SLES	1	58.9349	63.5139	24.848	HAL2	9609	0	0	0	0.09	
-9611	H52	SLES	1	58.9423	61.7287	24.6186	HAL2	9609	0	0	0	0.09	
-9612	C6	SLES	1	58.6834	62.3688	26.7131	CTL2	9609	9613	9614	9615	-0.18	
-9613	H61	SLES	1	58.8346	63.3049	27.2962	HAL2	9612	0	0	0	0.09	
-9614	H62	SLES	1	57.5855	62.1984	26.6167	HAL2	9612	0	0	0	0.09	
-9615	C7	SLES	1	59.3165	61.1742	27.4942	CTL2	9612	9616	9617	9618	-0.18	
-9616	H71	SLES	1	60.281	61.5032	27.9407	HAL2	9615	0	0	0	0.09	
-9617	H72	SLES	1	59.5322	60.347	26.7818	HAL2	9615	0	0	0	0.09	
-9618	C8	SLES	1	58.3957	60.6429	28.6209	CTL2	9615	9619	9620	9621	-0.18	
-9619	H81	SLES	1	57.9963	61.5056	29.202	HAL2	9618	0	0	0	0.09	
-9620	H82	SLES	1	57.533	60.1072	28.1634	HAL2	9618	0	0	0	0.09	
-9621	C9	SLES	1	59.1349	59.6817	29.5853	CTL2	9618	9622	9623	9624	-0.18	
-9622	H91	SLES	1	60.0146	60.2088	30.0196	HAL2	9621	0	0	0	0.09	
-9623	H92	SLES	1	59.5094	58.8062	29.0085	HAL2	9621	0	0	0	0.09	
-9624	C10	SLES	1	58.2302	59.1789	30.7351	CTL2	9621	9625	9626	9627	-0.18	
-9625	H10	SLES	1	57.8741	60.0531	31.3265	HAL2	9624	0	0	0	0.09	
-9626	H10	SLES	1	57.3391	58.6712	30.3012	HAL2	9624	0	0	0	0.09	
-9627	C11	SLES	1	58.9648	58.1926	31.6813	CTL2	9624	9628	9629	9630	-0.18	
-9628	H11	SLES	1	59.8512	58.7072	32.1179	HAL2	9627	0	0	0	0.09	
-9629	H11	SLES	1	59.3346	57.3291	31.0824	HAL2	9627	0	0	0	0.09	
-9630	C12	SLES	1	58.079	57.6572	32.8359	CTL3	9627	9631	9632	9633	-0.27	
-9631	H12	SLES	1	58.5241	57.9232	33.82	HAL3	9630	0	0	0	0.09	
-9632	H12	SLES	1	57.9913	56.5499	32.7743	HAL3	9630	0	0	0	0.09	
-9633	H12	SLES	1	57.0595	58.097	32.7776	HAL3	9630	0	0	0	0.09	
-9634	NA	SLES	1	59.3926	75.0608	14.9256	NA	0	0	0	0	1	
-9635	S	SLES	1	56.1518	73.4175	14.5421	SL	9636	9637	9638	9639	1.33	
-9636	OS1	SLES	1	57.2001	73.1563	15.8228	OSL	9635	9640	0	0	-0.28	
-9637	OS2	SLES	1	55.8618	74.8364	14.5347	O2L	9635	0	0	0	-0.65	
-9638	OS3	SLES	1	56.8816	73.058	13.3444	O2L	9635	0	0	0	-0.65	
-9639	OS4	SLES	1	54.913	72.6592	14.6129	O2L	9635	0	0	0	-0.65	
-9640	C2	SLES	1	56.536	72.3351	16.8741	CC32A	9636	9641	9642	9643	-0.11	
-9641	H2A	SLES	1	55.5742	72.8168	17.2056	HCA2	9640	0	0	0	0.09	
-9642	H2B	SLES	1	56.3064	71.3213	16.4434	HCA2	9640	0	0	0	0.09	
-9643	C1	SLES	1	57.5223	72.1801	18.1269	CC32A	9640	9644	9645	9646	-0.01	
-9644	H1B	SLES	1	57.8216	73.1863	18.5004	HCA2	9643	0	0	0	0.09	
-9645	H1A	SLES	1	58.4385	71.6227	17.8217	HCA2	9643	0	0	0	0.09	
-9646	O1	SLES	1	57.0653	71.4915	19.3495	OC30A	9643	9647	0	0	-0.34	
-9647	C2	SLES	1	55.9038	70.6452	19.2179	CC32A	9646	9648	9649	9650	-0.01	
-9648	H2A	SLES	1	55.1331	71.3697	18.8892	HCA2	9647	0	0	0	0.09	
-9649	H2B	SLES	1	56.1768	69.996	18.3557	HCA2	9647	0	0	0	0.09	
-9650	C1	SLES	1	55.3321	69.7669	20.3751	CC32A	9647	9651	9652	9653	-0.01	
-9651	H1B	SLES	1	54.5701	70.3441	20.9427	HCA2	9650	0	0	0	0.09	
-9652	H1A	SLES	1	54.8487	68.8663	19.9463	HCA2	9650	0	0	0	0.09	
-9653	O1	SLES	1	56.148	69.2676	21.4831	OC30A	9650	9654	0	0	-0.34	
-9654	C1	SLES	1	55.7004	67.986	22.0586	CTL2	9653	9655	9656	9657	-0.18	
-9655	H11	SLES	1	54.7046	67.7676	21.6326	HAL2	9654	0	0	0	0.09	
-9656	H12	SLES	1	56.4374	67.282	21.62	HAL2	9654	0	0	0	0.09	
-9657	C2	SLES	1	55.6567	67.8065	23.6278	CTL2	9654	9658	9659	9660	-0.18	
-9658	H21	SLES	1	55.9589	68.7616	24.1126	HAL2	9657	0	0	0	0.09	
-9659	H22	SLES	1	56.3911	67.0253	23.9228	HAL2	9657	0	0	0	0.09	
-9660	C3	SLES	1	54.2003	67.3872	24.1585	CTL2	9657	9661	9662	9663	-0.18	
-9661	H31	SLES	1	53.7141	68.2759	24.6192	HAL2	9660	0	0	0	0.09	
-9662	H32	SLES	1	53.5797	67.0687	23.2973	HAL2	9660	0	0	0	0.09	
-9663	C4	SLES	1	54.2427	66.2144	25.2237	CTL2	9660	9664	9665	9666	-0.18	
-9664	H41	SLES	1	54.1101	66.645	26.2382	HAL2	9663	0	0	0	0.09	
-9665	H42	SLES	1	55.2394	65.7243	25.1874	HAL2	9663	0	0	0	0.09	
-9666	C5	SLES	1	53.1148	65.1146	24.9718	CTL2	9663	9667	9668	9669	-0.18	
-9667	H51	SLES	1	52.3292	65.5448	24.3122	HAL2	9666	0	0	0	0.09	
-9668	H52	SLES	1	53.5679	64.2454	24.4425	HAL2	9666	0	0	0	0.09	
-9669	C6	SLES	1	52.442	64.6094	26.3035	CTL2	9666	9670	9671	9672	-0.18	
-9670	H61	SLES	1	51.7877	65.4143	26.7073	HAL2	9669	0	0	0	0.09	
-9671	H62	SLES	1	51.7988	63.7282	26.0724	HAL2	9669	0	0	0	0.09	
-9672	C7	SLES	1	53.4846	64.2057	27.3934	CTL2	9669	9673	9674	9675	-0.18	
-9673	H71	SLES	1	53.8417	65.1233	27.9114	HAL2	9672	0	0	0	0.09	
-9674	H72	SLES	1	54.3599	63.7272	26.9002	HAL2	9672	0	0	0	0.09	
-9675	C8	SLES	1	52.9012	63.2292	28.4447	CTL2	9672	9676	9677	9678	-0.18	
-9676	H81	SLES	1	51.9049	63.6025	28.7753	HAL2	9675	0	0	0	0.09	
-9677	H82	SLES	1	52.7554	62.2309	27.9727	HAL2	9675	0	0	0	0.09	
-9678	C9	SLES	1	53.8199	63.0744	29.6827	CTL2	9675	9679	9680	9681	-0.18	
-9679	H91	SLES	1	53.9892	64.0772	30.1367	HAL2	9678	0	0	0	0.09	
-9680	H92	SLES	1	54.8061	62.6749	29.3551	HAL2	9678	0	0	0	0.09	
-9681	C10	SLES	1	53.2234	62.1304	30.7534	CTL2	9678	9682	9683	9684	-0.18	
-9682	H10	SLES	1	52.2476	62.5424	31.0983	HAL2	9681	0	0	0	0.09	
-9683	H10	SLES	1	53.0331	61.134	30.2942	HAL2	9681	0	0	0	0.09	
-9684	C11	SLES	1	54.1599	61.9537	31.978	CTL2	9681	9685	9686	9687	-0.18	
-9685	H11	SLES	1	54.3416	62.9521	32.4377	HAL2	9684	0	0	0	0.09	
-9686	H11	SLES	1	55.1402	61.5588	31.6258	HAL2	9684	0	0	0	0.09	
-9687	C12	SLES	1	53.597	60.9992	33.0626	CTL3	9684	9688	9689	9690	-0.27	
-9688	H12	SLES	1	53.4933	61.5343	34.0323	HAL3	9687	0	0	0	0.09	
-9689	H12	SLES	1	54.2798	60.1329	33.2072	HAL3	9687	0	0	0	0.09	
-9690	H12	SLES	1	52.5979	60.6162	32.7606	HAL3	9687	0	0	0	0.09	
-9691	NA	SLES	1	46.9313	77.5069	15.3178	NA	0	0	0	0	1	
-9692	S	SLES	1	45.8484	74.1358	14.4163	SL	9693	9694	9695	9696	1.33	
-9693	OS1	SLES	1	46.4497	74.5666	15.9196	OSL	9692	9697	0	0	-0.28	
-9694	OS2	SLES	1	44.6965	74.9811	14.1796	O2L	9692	0	0	0	-0.65	
-9695	OS3	SLES	1	46.8914	74.4462	13.4611	O2L	9692	0	0	0	-0.65	
-9696	OS4	SLES	1	45.469	72.737	14.2972	O2L	9692	0	0	0	-0.65	
-9697	C2	SLES	1	46.2788	73.4443	16.8848	CC32A	9693	9698	9699	9700	-0.11	
-9698	H2A	SLES	1	45.2006	73.125	16.9357	HCA2	9697	0	0	0	0.09	
-9699	H2B	SLES	1	46.9006	72.5743	16.5347	HCA2	9697	0	0	0	0.09	
-9700	C1	SLES	1	46.7723	73.9131	18.335	CC32A	9697	9701	9702	9703	-0.01	
-9701	H1B	SLES	1	46.2184	74.8284	18.6463	HCA2	9700	0	0	0	0.09	
-9702	H1A	SLES	1	47.8627	74.1443	18.3084	HCA2	9700	0	0	0	0.09	
-9703	O1	SLES	1	46.6166	73.0165	19.4968	OC30A	9700	9704	0	0	-0.34	
-9704	C2	SLES	1	46.3994	71.6191	19.2092	CC32A	9703	9705	9706	9707	-0.01	
-9705	H2A	SLES	1	45.4526	71.6516	18.6354	HCA2	9704	0	0	0	0.09	
-9706	H2B	SLES	1	47.2343	71.3855	18.5109	HCA2	9704	0	0	0	0.09	
-9707	C1	SLES	1	46.306	70.5102	20.3042	CC32A	9704	9708	9709	9710	-0.01	
-9708	H1B	SLES	1	45.2471	70.38	20.6169	HCA2	9707	0	0	0	0.09	
-9709	H1A	SLES	1	46.6732	69.5515	19.8862	HCA2	9707	0	0	0	0.09	
-9710	O1	SLES	1	46.9453	70.6209	21.6164	OC30A	9707	9711	0	0	-0.34	
-9711	C1	SLES	1	47.3499	69.3392	22.2228	CTL2	9710	9712	9713	9714	-0.18	
-9712	H11	SLES	1	46.8998	68.5343	21.6141	HAL2	9711	0	0	0	0.09	
-9713	H12	SLES	1	48.445	69.3507	22.0441	HAL2	9711	0	0	0	0.09	
-9714	C2	SLES	1	47.0598	69.0721	23.7528	CTL2	9711	9715	9716	9717	-0.18	
-9715	H21	SLES	1	46.5153	69.9446	24.1783	HAL2	9714	0	0	0	0.09	
-9716	H22	SLES	1	48.0272	68.9758	24.2926	HAL2	9714	0	0	0	0.09	
-9717	C3	SLES	1	46.1893	67.744	23.991	CTL2	9714	9718	9719	9720	-0.18	
-9718	H31	SLES	1	45.1414	68.0361	24.2255	HAL2	9717	0	0	0	0.09	
-9719	H32	SLES	1	46.1751	67.1487	23.0563	HAL2	9717	0	0	0	0.09	
-9720	C4	SLES	1	46.7467	66.8404	25.1679	CTL2	9717	9721	9722	9723	-0.18	
-9721	H41	SLES	1	46.1199	66.9983	26.0703	HAL2	9720	0	0	0	0.09	
-9722	H42	SLES	1	47.7836	67.1573	25.4115	HAL2	9720	0	0	0	0.09	
-9723	C5	SLES	1	46.7519	65.2879	24.8008	CTL2	9720	9724	9725	9726	-0.18	
-9724	H51	SLES	1	46.0718	65.1167	23.9375	HAL2	9723	0	0	0	0.09	
-9725	H52	SLES	1	47.7801	64.9923	24.4903	HAL2	9723	0	0	0	0.09	
-9726	C6	SLES	1	46.2956	64.3725	25.9988	CTL2	9723	9727	9728	9729	-0.18	
-9727	H61	SLES	1	45.1994	64.4934	26.1505	HAL2	9726	0	0	0	0.09	
-9728	H62	SLES	1	46.4898	63.3068	25.7344	HAL2	9726	0	0	0	0.09	
-9729	C7	SLES	1	47.0345	64.708	27.3328	CTL2	9726	9730	9731	9732	-0.18	
-9730	H71	SLES	1	46.5455	65.5877	27.807	HAL2	9729	0	0	0	0.09	
-9731	H72	SLES	1	48.0889	64.982	27.1058	HAL2	9729	0	0	0	0.09	
-9732	C8	SLES	1	47.0243	63.5262	28.3341	CTL2	9729	9733	9734	9735	-0.18	
-9733	H81	SLES	1	45.9947	63.1041	28.3888	HAL2	9732	0	0	0	0.09	
-9734	H82	SLES	1	47.7045	62.7271	27.9607	HAL2	9732	0	0	0	0.09	
-9735	C9	SLES	1	47.4736	63.9505	29.7548	CTL2	9732	9736	9737	9738	-0.18	
-9736	H91	SLES	1	46.8113	64.77	30.1155	HAL2	9735	0	0	0	0.09	
-9737	H92	SLES	1	48.5129	64.3462	29.7036	HAL2	9735	0	0	0	0.09	
-9738	C10	SLES	1	47.4277	62.7824	30.7682	CTL2	9735	9739	9740	9741	-0.18	
-9739	H10	SLES	1	46.3832	62.4015	30.837	HAL2	9738	0	0	0	0.09	
-9740	H10	SLES	1	48.0724	61.9536	30.3972	HAL2	9738	0	0	0	0.09	
-9741	C11	SLES	1	47.9075	63.2034	32.1825	CTL2	9738	9742	9743	9744	-0.18	
-9742	H11	SLES	1	47.2555	64.0278	32.5519	HAL2	9741	0	0	0	0.09	
-9743	H11	SLES	1	48.9456	63.6003	32.1057	HAL2	9741	0	0	0	0.09	
-9744	C12	SLES	1	47.889	62.0495	33.2181	CTL3	9741	9745	9746	9747	-0.27	
-9745	H12	SLES	1	47.2234	62.3065	34.0714	HAL3	9744	0	0	0	0.09	
-9746	H12	SLES	1	48.9135	61.8659	33.6106	HAL3	9744	0	0	0	0.09	
-9747	H12	SLES	1	47.5168	61.1133	32.7478	HAL3	9744	0	0	0	0.09	
-9748	NA	SLES	1	34.4538	73.904	15.4668	NA	0	0	0	0	1	
-9749	S	SLES	1	36.165	70.8657	14.3754	SL	9750	9751	9752	9753	1.33	
-9750	OS1	SLES	1	36.004	71.3391	15.9745	OSL	9749	9754	0	0	-0.28	
-9751	OS2	SLES	1	34.8219	70.7572	13.8444	O2L	9749	0	0	0	-0.65	
-9752	OS3	SLES	1	36.8733	71.9374	13.7074	O2L	9749	0	0	0	-0.65	
-9753	OS4	SLES	1	36.8749	69.6107	14.187	O2L	9749	0	0	0	-0.65	
-9754	C2	SLES	1	36.4624	70.251	16.8836	CC32A	9750	9755	9756	9757	-0.11	
-9755	H2A	SLES	1	35.9104	69.2941	16.6676	HCA2	9754	0	0	0	0.09	
-9756	H2B	SLES	1	37.5621	70.0836	16.7141	HCA2	9754	0	0	0	0.09	
-9757	C1	SLES	1	36.2098	70.6891	18.4037	CC32A	9754	9758	9759	9760	-0.01	
-9758	H1B	SLES	1	35.1345	70.9408	18.5518	HCA2	9757	0	0	0	0.09	
-9759	H1A	SLES	1	36.8259	71.5857	18.6475	HCA2	9757	0	0	0	0.09	
-9760	O1	SLES	1	36.4869	69.7446	19.5032	OC30A	9757	9761	0	0	-0.34	
-9761	C2	SLES	1	37.3429	68.6251	19.1923	CC32A	9760	9762	9763	9764	-0.01	
-9762	H2A	SLES	1	36.7643	68.1125	18.399	HCA2	9761	0	0	0	0.09	
-9763	H2B	SLES	1	38.226	69.1201	18.7292	HCA2	9761	0	0	0	0.09	
-9764	C1	SLES	1	37.8217	67.5775	20.2461	CC32A	9761	9765	9766	9767	-0.01	
-9765	H1B	SLES	1	37.1034	66.7298	20.2855	HCA2	9764	0	0	0	0.09	
-9766	H1A	SLES	1	38.8156	67.1872	19.9486	HCA2	9764	0	0	0	0.09	
-9767	O1	SLES	1	37.9429	67.8727	21.6747	OC30A	9764	9768	0	0	-0.34	
-9768	C1	SLES	1	38.9852	67.1073	22.3831	CTL2	9767	9769	9770	9771	-0.18	
-9769	H11	SLES	1	39.3349	66.3177	21.6937	HAL2	9768	0	0	0	0.09	
-9770	H12	SLES	1	39.784	67.8708	22.4845	HAL2	9768	0	0	0	0.09	
-9771	C2	SLES	1	38.6668	66.4749	23.7956	CTL2	9768	9772	9773	9774	-0.18	
-9772	H21	SLES	1	37.6053	66.6832	24.0574	HAL2	9771	0	0	0	0.09	
-9773	H22	SLES	1	39.3101	66.96	24.5621	HAL2	9771	0	0	0	0.09	
-9774	C3	SLES	1	38.9132	64.8885	23.8289	CTL2	9771	9775	9776	9777	-0.18	
-9775	H31	SLES	1	37.9297	64.3692	23.7886	HAL2	9774	0	0	0	0.09	
-9776	H32	SLES	1	39.4902	64.5935	22.9298	HAL2	9774	0	0	0	0.09	
-9777	C4	SLES	1	39.6948	64.4096	25.1218	CTL2	9774	9778	9779	9780	-0.18	
-9778	H41	SLES	1	38.9706	63.9648	25.8358	HAL2	9777	0	0	0	0.09	
-9779	H42	SLES	1	40.1625	65.2902	25.6126	HAL2	9777	0	0	0	0.09	
-9780	C5	SLES	1	40.8288	63.337	24.7921	CTL2	9777	9781	9782	9783	-0.18	
-9781	H51	SLES	1	40.6332	62.8987	23.7886	HAL2	9780	0	0	0	0.09	
-9782	H52	SLES	1	41.8155	63.8528	24.7538	HAL2	9780	0	0	0	0.09	
-9783	C6	SLES	1	40.8998	62.1736	25.8516	CTL2	9780	9784	9785	9786	-0.18	
-9784	H61	SLES	1	40.0152	61.5104	25.7219	HAL2	9783	0	0	0	0.09	
-9785	H62	SLES	1	41.815	61.5657	25.661	HAL2	9783	0	0	0	0.09	
-9786	C7	SLES	1	40.9336	62.6956	27.3228	CTL2	9783	9787	9788	9789	-0.18	
-9787	H71	SLES	1	39.8969	62.9383	27.6456	HAL2	9786	0	0	0	0.09	
-9788	H72	SLES	1	41.5339	63.6317	27.3631	HAL2	9786	0	0	0	0.09	
-9789	C8	SLES	1	41.539	61.6649	28.308	CTL2	9786	9790	9791	9792	-0.18	
-9790	H81	SLES	1	41.0905	60.6645	28.1096	HAL2	9789	0	0	0	0.09	
-9791	H82	SLES	1	42.636	61.5918	28.1296	HAL2	9789	0	0	0	0.09	
-9792	C9	SLES	1	41.2913	62.0458	29.7892	CTL2	9789	9793	9794	9795	-0.18	
-9793	H91	SLES	1	40.1954	62.1477	29.9595	HAL2	9792	0	0	0	0.09	
-9794	H92	SLES	1	41.7638	63.0328	29.9939	HAL2	9792	0	0	0	0.09	
-9795	C10	SLES	1	41.8598	60.9995	30.7768	CTL2	9792	9796	9797	9798	-0.18	
-9796	H10	SLES	1	41.37	60.0171	30.5876	HAL2	9795	0	0	0	0.09	
-9797	H10	SLES	1	42.9515	60.8808	30.5923	HAL2	9795	0	0	0	0.09	
-9798	C11	SLES	1	41.637	61.3994	32.2595	CTL2	9795	9799	9800	9801	-0.18	
-9799	H11	SLES	1	40.5433	61.5102	32.4408	HAL2	9798	0	0	0	0.09	
-9800	H11	SLES	1	42.1129	62.3904	32.4391	HAL2	9798	0	0	0	0.09	
-9801	C12	SLES	1	42.2108	60.3779	33.2753	CTL3	9798	9802	9803	9804	-0.27	
-9802	H12	SLES	1	41.401	59.9877	33.9305	HAL3	9801	0	0	0	0.09	
-9803	H12	SLES	1	42.9824	60.8607	33.9149	HAL3	9801	0	0	0	0.09	
-9804	H12	SLES	1	42.6782	59.522	32.7415	HAL3	9801	0	0	0	0.09	
-9805	NA	SLES	1	25.0261	64.9496	15.3467	NA	0	0	0	0	1	
-9806	S	SLES	1	28.4665	64.1327	14.4267	SL	9807	9808	9809	9810	1.33	
-9807	OS1	SLES	1	27.8464	64.008	15.9781	OSL	9806	9811	0	0	-0.28	
-9808	OS2	SLES	1	27.6387	63.2917	13.5871	O2L	9806	0	0	0	-0.65	
-9809	OS3	SLES	1	28.3104	65.5195	14.0406	O2L	9806	0	0	0	-0.65	
-9810	OS4	SLES	1	29.8606	63.7383	14.3013	O2L	9806	0	0	0	-0.65	
-9811	C2	SLES	1	28.8227	63.3218	16.8706	CC32A	9807	9812	9813	9814	-0.11	
-9812	H2A	SLES	1	29.1105	62.319	16.4477	HCA2	9811	0	0	0	0.09	
-9813	H2B	SLES	1	29.7446	63.9619	16.9506	HCA2	9811	0	0	0	0.09	
-9814	C1	SLES	1	28.1701	63.1292	18.3209	CC32A	9811	9815	9816	9817	-0.01	
-9815	H1B	SLES	1	27.2099	62.5707	18.2334	HCA2	9814	0	0	0	0.09	
-9816	H1A	SLES	1	27.9665	64.1244	18.7805	HCA2	9814	0	0	0	0.09	
-9817	O1	SLES	1	28.8963	62.3843	19.3676	OC30A	9814	9818	0	0	-0.34	
-9818	C2	SLES	1	30.3153	62.211	19.17	CC32A	9817	9819	9820	9821	-0.01	
-9819	H2A	SLES	1	30.3426	61.6404	18.2211	HCA2	9818	0	0	0	0.09	
-9820	H2B	SLES	1	30.6587	63.2515	18.9729	HCA2	9818	0	0	0	0.09	
-9821	C1	SLES	1	31.2621	61.5347	20.2109	CC32A	9818	9822	9823	9824	-0.01	
-9822	H1B	SLES	1	31.3271	60.444	20.0057	HCA2	9821	0	0	0	0.09	
-9823	H1A	SLES	1	32.276	61.9737	20.1226	HCA2	9821	0	0	0	0.09	
-9824	O1	SLES	1	30.9859	61.5055	21.6482	OC30A	9821	9825	0	0	-0.34	
-9825	C1	SLES	1	32.1805	61.4801	22.5121	CTL2	9824	9826	9827	9828	-0.18	
-9826	H11	SLES	1	33.0519	61.2967	21.8578	HAL2	9825	0	0	0	0.09	
-9827	H12	SLES	1	32.2154	62.5315	22.865	HAL2	9825	0	0	0	0.09	
-9828	C2	SLES	1	32.2302	60.4983	23.7489	CTL2	9825	9829	9830	9831	-0.18	
-9829	H21	SLES	1	31.2971	59.8919	23.7708	HAL2	9828	0	0	0	0.09	
-9830	H22	SLES	1	32.2712	61.0976	24.6847	HAL2	9828	0	0	0	0.09	
-9831	C3	SLES	1	33.4957	59.511	23.7	CTL2	9828	9832	9833	9834	-0.18	
-9832	H31	SLES	1	33.1534	58.5003	23.3842	HAL2	9831	0	0	0	0.09	
-9833	H32	SLES	1	34.2126	59.88	22.9397	HAL2	9831	0	0	0	0.09	
-9834	C4	SLES	1	34.2409	59.3892	25.0935	CTL2	9831	9835	9836	9837	-0.18	
-9835	H41	SLES	1	33.9487	58.4327	25.5752	HAL2	9834	0	0	0	0.09	
-9836	H42	SLES	1	33.9145	60.2197	25.7558	HAL2	9834	0	0	0	0.09	
-9837	C5	SLES	1	35.8288	59.4364	24.9472	CTL2	9834	9838	9839	9840	-0.18	
-9838	H51	SLES	1	36.1028	59.2182	23.8915	HAL2	9837	0	0	0	0.09	
-9839	H52	SLES	1	36.1846	60.4644	25.1876	HAL2	9837	0	0	0	0.09	
-9840	C6	SLES	1	36.5626	58.4075	25.8875	CTL2	9837	9841	9842	9843	-0.18	
-9841	H61	SLES	1	36.4003	57.3783	25.4957	HAL2	9840	0	0	0	0.09	
-9842	H62	SLES	1	37.6582	58.6143	25.8651	HAL2	9840	0	0	0	0.09	
-9843	C7	SLES	1	36.0629	58.4746	27.3653	CTL2	9840	9844	9845	9846	-0.18	
-9844	H71	SLES	1	35.117	57.8957	27.455	HAL2	9843	0	0	0	0.09	
-9845	H72	SLES	1	35.8435	59.5336	27.6276	HAL2	9843	0	0	0	0.09	
-9846	C8	SLES	1	37.0963	57.9091	28.371	CTL2	9843	9847	9848	9849	-0.18	
-9847	H81	SLES	1	37.4864	56.9391	27.9857	HAL2	9846	0	0	0	0.09	
-9848	H82	SLES	1	37.9524	58.6173	28.45	HAL2	9846	0	0	0	0.09	
-9849	C9	SLES	1	36.491	57.6874	29.7799	CTL2	9846	9850	9851	9852	-0.18	
-9850	H91	SLES	1	35.6168	57.0025	29.6957	HAL2	9849	0	0	0	0.09	
-9851	H92	SLES	1	36.1267	58.6621	30.1757	HAL2	9849	0	0	0	0.09	
-9852	C10	SLES	1	37.5085	57.0858	30.7779	CTL2	9849	9853	9854	9855	-0.18	
-9853	H10	SLES	1	37.8555	56.0997	30.3934	HAL2	9852	0	0	0	0.09	
-9854	H10	SLES	1	38.3928	57.7591	30.8458	HAL2	9852	0	0	0	0.09	
-9855	C11	SLES	1	36.9078	56.8938	32.1957	CTL2	9852	9856	9857	9858	-0.18	
-9856	H11	SLES	1	36.0278	56.2144	32.1236	HAL2	9855	0	0	0	0.09	
-9857	H11	SLES	1	36.5459	57.8793	32.5684	HAL2	9855	0	0	0	0.09	
-9858	C12	SLES	1	37.9089	56.3074	33.2245	CTL3	9855	9859	9860	9861	-0.27	
-9859	H12	SLES	1	37.5244	55.3472	33.6339	HAL3	9858	0	0	0	0.09	
-9860	H12	SLES	1	38.0575	57.0178	34.0675	HAL3	9858	0	0	0	0.09	
-9861	H12	SLES	1	38.8929	56.1185	32.7428	HAL3	9858	0	0	0	0.09	
-9862	NA	SLES	1	20.8308	52.9171	14.9783	NA	0	0	0	0	1	
-9863	S	SLES	1	23.9069	54.8441	14.5611	SL	9864	9865	9866	9867	1.33	
-9864	OS1	SLES	1	23.5239	53.9568	15.9298	OSL	9863	9868	0	0	-0.28	
-9865	OS2	SLES	1	23.8885	53.9128	13.4522	O2L	9863	0	0	0	-0.65	
-9866	OS3	SLES	1	22.8476	55.8185	14.4032	O2L	9863	0	0	0	-0.65	
-9867	OS4	SLES	1	25.1941	55.5181	14.6205	O2L	9863	0	0	0	-0.65	
-9868	C2	SLES	1	24.6957	53.8929	16.8481	CC32A	9864	9869	9870	9871	-0.11	
-9869	H2A	SLES	1	25.5966	53.4801	16.3141	HCA2	9868	0	0	0	0.09	
-9870	H2B	SLES	1	24.9283	54.9349	17.2034	HCA2	9868	0	0	0	0.09	
-9871	C1	SLES	1	24.3366	52.9616	18.1011	CC32A	9868	9872	9873	9874	-0.01	
-9872	H1B	SLES	1	24.0204	51.9539	17.746	HCA2	9871	0	0	0	0.09	
-9873	H1A	SLES	1	23.5019	53.4155	18.6844	HCA2	9871	0	0	0	0.09	
-9874	O1	SLES	1	25.3647	52.6521	19.1136	OC30A	9871	9875	0	0	-0.34	
-9875	C2	SLES	1	26.5195	53.517	19.1462	CC32A	9874	9876	9877	9878	-0.01	
-9876	H2A	SLES	1	26.9402	53.3696	18.1323	HCA2	9875	0	0	0	0.09	
-9877	H2B	SLES	1	26.0593	54.5293	19.1999	HCA2	9875	0	0	0	0.09	
-9878	C1	SLES	1	27.6614	53.4034	20.2047	CC32A	9875	9879	9880	9881	-0.01	
-9879	H1B	SLES	1	28.4579	52.7264	19.826	HCA2	9878	0	0	0	0.09	
-9880	H1A	SLES	1	28.1006	54.4062	20.3782	HCA2	9878	0	0	0	0.09	
-9881	O1	SLES	1	27.4649	52.8396	21.5412	OC30A	9878	9882	0	0	-0.34	
-9882	C1	SLES	1	28.3435	53.3945	22.5872	CTL2	9881	9883	9884	9885	-0.18	
-9883	H11	SLES	1	29.1111	54.005	22.0779	HAL2	9882	0	0	0	0.09	
-9884	H12	SLES	1	27.6453	54.0727	23.1199	HAL2	9882	0	0	0	0.09	
-9885	C2	SLES	1	29.039	52.4227	23.6207	CTL2	9882	9886	9887	9888	-0.18	
-9886	H21	SLES	1	28.774	51.3717	23.368	HAL2	9885	0	0	0	0.09	
-9887	H22	SLES	1	28.6485	52.6389	24.6392	HAL2	9885	0	0	0	0.09	
-9888	C3	SLES	1	30.6377	52.5732	23.6268	CTL2	9885	9889	9890	9891	-0.18	
-9889	H31	SLES	1	31.0837	51.7114	23.0821	HAL2	9888	0	0	0	0.09	
-9890	H32	SLES	1	30.9155	53.4988	23.0843	HAL2	9888	0	0	0	0.09	
-9891	C4	SLES	1	31.2493	52.63	25.0879	CTL2	9888	9892	9893	9894	-0.18	
-9892	H41	SLES	1	31.6862	51.6396	25.3336	HAL2	9891	0	0	0	0.09	
-9893	H42	SLES	1	30.4357	52.8355	25.8164	HAL2	9891	0	0	0	0.09	
-9894	C5	SLES	1	32.3755	53.7497	25.2393	CTL2	9891	9895	9896	9897	-0.18	
-9895	H51	SLES	1	32.7359	54.0413	24.2282	HAL2	9894	0	0	0	0.09	
-9896	H52	SLES	1	31.9283	54.6516	25.7164	HAL2	9894	0	0	0	0.09	
-9897	C6	SLES	1	33.6048	53.2712	26.1002	CTL2	9894	9898	9899	9900	-0.18	
-9898	H61	SLES	1	34.1955	52.5343	25.511	HAL2	9897	0	0	0	0.09	
-9899	H62	SLES	1	34.2618	54.1471	26.3114	HAL2	9897	0	0	0	0.09	
-9900	C7	SLES	1	33.179	52.6176	27.4528	CTL2	9897	9901	9902	9903	-0.18	
-9901	H71	SLES	1	32.8853	51.5604	27.2683	HAL2	9900	0	0	0	0.09	
-9902	H72	SLES	1	32.2912	53.1557	27.8536	HAL2	9900	0	0	0	0.09	
-9903	C8	SLES	1	34.3086	52.6483	28.5122	CTL2	9900	9904	9905	9906	-0.18	
-9904	H81	SLES	1	35.2612	52.3168	28.0388	HAL2	9903	0	0	0	0.09	
-9905	H82	SLES	1	34.4466	53.6952	28.8667	HAL2	9903	0	0	0	0.09	
-9906	C9	SLES	1	34.0043	51.738	29.7285	CTL2	9903	9907	9908	9909	-0.18	
-9907	H91	SLES	1	33.8372	50.6969	29.3698	HAL2	9906	0	0	0	0.09	
-9908	H92	SLES	1	33.0672	52.0873	30.2176	HAL2	9906	0	0	0	0.09	
-9909	C10	SLES	1	35.1471	51.7347	30.7712	CTL2	9906	9910	9911	9912	-0.18	
-9910	H10	SLES	1	36.0794	51.3631	30.2879	HAL2	9909	0	0	0	0.09	
-9911	H10	SLES	1	35.3297	52.7784	31.1138	HAL2	9909	0	0	0	0.09	
-9912	C11	SLES	1	34.8258	50.8462	32.0021	CTL2	9909	9913	9914	9915	-0.18	
-9913	H11	SLES	1	34.6506	49.8021	31.6551	HAL2	9912	0	0	0	0.09	
-9914	H11	SLES	1	33.8833	51.2104	32.4712	HAL2	9912	0	0	0	0.09	
-9915	C12	SLES	1	35.9459	50.835	33.0744	CTL3	9912	9916	9917	9918	-0.27	
-9916	H12	SLES	1	36.3189	49.7991	33.233	HAL3	9915	0	0	0	0.09	
-9917	H12	SLES	1	35.5587	51.2242	34.0419	HAL3	9915	0	0	0	0.09	
-9918	H12	SLES	1	36.7974	51.4727	32.7513	HAL3	9915	0	0	0	0.09	
-9919	NA	SLES	1	22.424	40.7827	14.4254	NA	0	0	0	0	1	
-9920	S	SLES	1	23.3467	44.3026	14.7555	SL	9921	9922	9923	9924	1.33	
-9921	OS1	SLES	1	23.7889	43.1025	15.8378	OSL	9920	9925	0	0	-0.28	
-9922	OS2	SLES	1	23.8574	43.8954	13.463	O2L	9920	0	0	0	-0.65	
-9923	OS3	SLES	1	21.8989	44.3107	14.7325	O2L	9920	0	0	0	-0.65	
-9924	OS4	SLES	1	23.8434	45.628	15.0892	O2L	9920	0	0	0	-0.65	
-9925	C2	SLES	1	24.7768	43.6317	16.8199	CC32A	9921	9926	9927	9928	-0.11	
-9926	H2A	SLES	1	25.6665	44.0728	16.2899	HCA2	9925	0	0	0	0.09	
-9927	H2B	SLES	1	24.2792	44.4366	17.4286	HCA2	9925	0	0	0	0.09	
-9928	C1	SLES	1	25.2556	42.4437	17.7822	CC32A	9925	9929	9930	9931	-0.01	
-9929	H1B	SLES	1	25.6688	41.6065	17.1739	HCA2	9928	0	0	0	0.09	
-9930	H1A	SLES	1	24.3913	42.0645	18.3757	HCA2	9928	0	0	0	0.09	
-9931	O1	SLES	1	26.3119	42.6819	18.7849	OC30A	9928	9932	0	0	-0.34	
-9932	C2	SLES	1	26.5805	44.0584	19.125	CC32A	9931	9933	9934	9935	-0.01	
-9933	H2A	SLES	1	26.8949	44.4747	18.148	HCA2	9932	0	0	0	0.09	
-9934	H2B	SLES	1	25.5666	44.4467	19.3709	HCA2	9932	0	0	0	0.09	
-9935	C1	SLES	1	27.5928	44.4998	20.2285	CC32A	9932	9936	9937	9938	-0.01	
-9936	H1B	SLES	1	28.598	44.649	19.7774	HCA2	9935	0	0	0	0.09	
-9937	H1A	SLES	1	27.2564	45.4587	20.6711	HCA2	9935	0	0	0	0.09	
-9938	O1	SLES	1	27.9513	43.6597	21.3724	OC30A	9935	9939	0	0	-0.34	
-9939	C1	SLES	1	28.3194	44.3962	22.5956	CTL2	9938	9940	9941	9942	-0.18	
-9940	H11	SLES	1	28.425	45.4601	22.316	HAL2	9939	0	0	0	0.09	
-9941	H12	SLES	1	27.3998	44.278	23.2051	HAL2	9939	0	0	0	0.09	
-9942	C2	SLES	1	29.5792	43.9406	23.4333	CTL2	9939	9943	9944	9945	-0.18	
-9943	H21	SLES	1	30.0686	43.0836	22.9188	HAL2	9942	0	0	0	0.09	
-9944	H22	SLES	1	29.2411	43.5918	24.4336	HAL2	9942	0	0	0	0.09	
-9945	C3	SLES	1	30.6519	45.1206	23.6219	CTL2	9942	9946	9947	9948	-0.18	
-9946	H31	SLES	1	31.5088	44.943	22.9345	HAL2	9945	0	0	0	0.09	
-9947	H32	SLES	1	30.1829	46.0839	23.3386	HAL2	9945	0	0	0	0.09	
-9948	C4	SLES	1	31.1974	45.2308	25.1059	CTL2	9945	9949	9950	9951	-0.18	
-9949	H41	SLES	1	32.2072	44.7723	25.1528	HAL2	9948	0	0	0	0.09	
-9950	H42	SLES	1	30.5292	44.6575	25.7839	HAL2	9948	0	0	0	0.09	
-9951	C5	SLES	1	31.2846	46.7392	25.6179	CTL2	9948	9952	9953	9954	-0.18	
-9952	H51	SLES	1	31.2596	47.4225	24.7405	HAL2	9951	0	0	0	0.09	
-9953	H52	SLES	1	30.3936	46.9599	26.249	HAL2	9951	0	0	0	0.09	
-9954	C6	SLES	1	32.5884	47.0295	26.453	CTL2	9951	9955	9956	9957	-0.18	
-9955	H61	SLES	1	33.4633	47.0473	25.765	HAL2	9954	0	0	0	0.09	
-9956	H62	SLES	1	32.5007	48.0371	26.9225	HAL2	9954	0	0	0	0.09	
-9957	C7	SLES	1	32.8405	45.9683	27.5703	CTL2	9954	9958	9959	9960	-0.18	
-9958	H71	SLES	1	33.3192	45.0717	27.1177	HAL2	9957	0	0	0	0.09	
-9959	H72	SLES	1	31.8638	45.6551	28.0019	HAL2	9957	0	0	0	0.09	
-9960	C8	SLES	1	33.7467	46.5026	28.7073	CTL2	9957	9961	9962	9963	-0.18	
-9961	H81	SLES	1	34.6252	47.0214	28.2595	HAL2	9960	0	0	0	0.09	
-9962	H82	SLES	1	33.1763	47.2475	29.3076	HAL2	9960	0	0	0	0.09	
-9963	C9	SLES	1	34.2482	45.3749	29.6438	CTL2	9960	9964	9965	9966	-0.18	
-9964	H91	SLES	1	34.793	44.6154	29.0382	HAL2	9963	0	0	0	0.09	
-9965	H92	SLES	1	33.3705	44.8753	30.1124	HAL2	9963	0	0	0	0.09	
-9966	C10	SLES	1	35.1854	45.898	30.7579	CTL2	9963	9967	9968	9969	-0.18	
-9967	H10	SLES	1	36.0751	46.3773	30.2894	HAL2	9966	0	0	0	0.09	
-9968	H10	SLES	1	34.6488	46.6735	31.3501	HAL2	9966	0	0	0	0.09	
-9969	C11	SLES	1	35.6611	44.7707	31.7122	CTL2	9966	9970	9971	9972	-0.18	
-9970	H11	SLES	1	36.203	44.001	31.1163	HAL2	9969	0	0	0	0.09	
-9971	H11	SLES	1	34.7676	44.2827	32.1644	HAL2	9969	0	0	0	0.09	
-9972	C12	SLES	1	36.5897	45.2662	32.8509	CTL3	9969	9973	9974	9975	-0.27	
-9973	H12	SLES	1	37.5752	44.753	32.797	HAL3	9972	0	0	0	0.09	
-9974	H12	SLES	1	36.133	45.0529	33.8426	HAL3	9972	0	0	0	0.09	
-9975	H12	SLES	1	36.7558	46.3622	32.7658	HAL3	9972	0	0	0	0.09	
-9976	NA	SLES	1	28.7516	31.1182	13.7835	NA	0	0	0	0	1	
-9977	S	SLES	1	27.1565	34.1814	14.9763	SL	9978	9979	9980	9981	1.33	
-9978	OS1	SLES	1	28.4661	33.4453	15.7181	OSL	9977	9982	0	0	-0.28	
-9979	OS2	SLES	1	27.5661	34.4704	13.6176	O2L	9977	0	0	0	-0.65	
-9980	OS3	SLES	1	26.0921	33.1997	14.9714	O2L	9977	0	0	0	-0.65	
-9981	OS4	SLES	1	26.7023	35.4002	15.6265	O2L	9977	0	0	0	-0.65	
-9982	C2	SLES	1	29.0123	34.3233	16.791	CC32A	9978	9983	9984	9985	-0.11	
-9983	H2A	SLES	1	29.274	35.3377	16.3791	HCA2	9982	0	0	0	0.09	
-9984	H2B	SLES	1	28.2268	34.4449	17.5875	HCA2	9982	0	0	0	0.09	
-9985	C1	SLES	1	30.3189	33.6419	17.4193	CC32A	9982	9986	9987	9988	-0.01	
-9986	H1B	SLES	1	31.0643	33.4396	16.6161	HCA2	9985	0	0	0	0.09	
-9987	H1A	SLES	1	30.0462	32.6776	17.9079	HCA2	9985	0	0	0	0.09	
-9988	O1	SLES	1	31.111	34.3574	18.4384	OC30A	9985	9989	0	0	-0.34	
-9989	C2	SLES	1	30.4579	35.4551	19.1101	CC32A	9988	9990	9991	9992	-0.01	
-9990	H2A	SLES	1	30.2366	36.1366	18.2655	HCA2	9989	0	0	0	0.09	
-9991	H2B	SLES	1	29.5065	34.9922	19.4564	HCA2	9989	0	0	0	0.09	
-9992	C1	SLES	1	31.1016	36.2665	20.2782	CC32A	9989	9993	9994	9995	-0.01	
-9993	H1B	SLES	1	31.6546	37.1396	19.8683	HCA2	9992	0	0	0	0.09	
-9994	H1A	SLES	1	30.3021	36.6366	20.9508	HCA2	9992	0	0	0	0.09	
-9995	O1	SLES	1	32.1233	35.7168	21.1709	OC30A	9992	9996	0	0	-0.34	
-9996	C1	SLES	1	32.124	36.2747	22.5357	CTL2	9995	9997	9998	9999	-0.18	
-9997	H11	SLES	1	31.4477	37.1486	22.5309	HAL2	9996	0	0	0	0.09	
-9998	H12	SLES	1	31.6413	35.4543	23.1059	HAL2	9996	0	0	0	0.09	
-9999	C2	SLES	1	33.4933	36.668	23.2189	CTL2	9996	10000	10001	10002	-0.18	
-10000	H21	SLES	1	34.3241	36.4874	22.5007	HAL2	9999	0	0	0	0.09	
-10001	H22	SLES	1	33.6569	36.0139	24.1032	HAL2	9999	0	0	0	0.09	
-10002	C3	SLES	1	33.5289	38.2039	23.6861	CTL2	9999	10003	10004	10005	-0.18	
-10003	H31	SLES	1	34.1474	38.7859	22.9671	HAL2	10002	0	0	0	0.09	
-10004	H32	SLES	1	32.4996	38.6139	23.6585	HAL2	10002	0	0	0	0.09	
-10005	C4	SLES	1	34.1196	38.3946	25.1444	CTL2	10002	10006	10007	10008	-0.18	
-10006	H41	SLES	1	35.167	38.7535	25.0641	HAL2	10005	0	0	0	0.09	
-10007	H42	SLES	1	34.1333	37.4124	25.664	HAL2	10005	0	0	0	0.09	
-10008	C5	SLES	1	33.278	39.4311	26.0175	CTL2	10005	10009	10010	10011	-0.18	
-10009	H51	SLES	1	32.6508	40.0514	25.3399	HAL2	10008	0	0	0	0.09	
-10010	H52	SLES	1	32.596	38.8661	26.6933	HAL2	10008	0	0	0	0.09	
-10011	C6	SLES	1	34.1859	40.3824	26.8848	CTL2	10008	10012	10013	10014	-0.18	
-10012	H61	SLES	1	34.6883	41.1151	26.2141	HAL2	10011	0	0	0	0.09	
-10013	H62	SLES	1	33.5402	40.9524	27.593	HAL2	10011	0	0	0	0.09	
-10014	C7	SLES	1	35.2714	39.6081	27.6974	CTL2	10011	10015	10016	10017	-0.18	
-10015	H71	SLES	1	36.1316	39.3814	27.0293	HAL2	10014	0	0	0	0.09	
-10016	H72	SLES	1	34.8441	38.6419	28.047	HAL2	10014	0	0	0	0.09	
-10017	C8	SLES	1	35.7824	40.4067	28.9223	CTL2	10014	10018	10019	10020	-0.18	
-10018	H81	SLES	1	35.9993	41.4539	28.6097	HAL2	10017	0	0	0	0.09	
-10019	H82	SLES	1	34.9821	40.4374	29.6964	HAL2	10017	0	0	0	0.09	
-10020	C9	SLES	1	37.0612	39.7879	29.5406	CTL2	10017	10021	10022	10023	-0.18	
-10021	H91	SLES	1	37.8515	39.7303	28.7581	HAL2	10020	0	0	0	0.09	
-10022	H92	SLES	1	36.8359	38.7512	29.8782	HAL2	10020	0	0	0	0.09	
-10023	C10	SLES	1	37.5981	40.6039	30.7403	CTL2	10020	10024	10025	10026	-0.18	
-10024	H10	SLES	1	37.8456	41.6344	30.3976	HAL2	10023	0	0	0	0.09	
-10025	H10	SLES	1	36.8007	40.6808	31.5138	HAL2	10023	0	0	0	0.09	
-10026	C11	SLES	1	38.861	39.9646	31.3762	CTL2	10023	10027	10028	10029	-0.18	
-10027	H11	SLES	1	39.6577	39.8961	30.6005	HAL2	10026	0	0	0	0.09	
-10028	H11	SLES	1	38.6135	38.9281	31.7009	HAL2	10026	0	0	0	0.09	
-10029	C12	SLES	1	39.4143	40.7508	32.5928	CTL3	10026	10030	10031	10032	-0.27	
-10030	H12	SLES	1	40.4619	41.0721	32.4013	HAL3	10029	0	0	0	0.09	
-10031	H12	SLES	1	39.4003	40.1128	33.504	HAL3	10029	0	0	0	0.09	
-10032	H12	SLES	1	38.7957	41.6546	32.7835	HAL3	10029	0	0	0	0.09	
-10033	NA	SLES	1	37.8463	25.3329	13.1636	NA	0	0	0	0	1	
-10034	S	SLES	1	34.9721	26.334	15.1853	SL	10035	10036	10037	10038	1.33	
-10035	OS1	SLES	1	36.5682	26.6413	15.5914	OSL	10034	10039	0	0	-0.28	
-10036	OS2	SLES	1	34.7558	26.9432	13.8893	O2L	10034	0	0	0	-0.65	
-10037	OS3	SLES	1	34.8534	24.8948	15.0787	O2L	10034	0	0	0	-0.65	
-10038	OS4	SLES	1	33.999	26.8412	16.1395	O2L	10034	0	0	0	-0.65	
-10039	C2	SLES	1	36.6351	27.5553	16.7664	CC32A	10035	10040	10041	10042	-0.11	
-10040	H2A	SLES	1	36.0592	28.5017	16.5665	HCA2	10039	0	0	0	0.09	
-10041	H2B	SLES	1	36.18	27.032	17.6524	HCA2	10039	0	0	0	0.09	
-10042	C1	SLES	1	38.1665	27.91	17.0753	CC32A	10039	10043	10044	10045	-0.01	
-10043	H1B	SLES	1	38.6443	28.3482	16.169	HCA2	10042	0	0	0	0.09	
-10044	H1A	SLES	1	38.7197	26.9853	17.3618	HCA2	10042	0	0	0	0.09	
-10045	O1	SLES	1	38.5036	28.8811	18.1341	OC30A	10042	10046	0	0	-0.34	
-10046	C2	SLES	1	37.4728	29.1623	19.1041	CC32A	10045	10047	10048	10049	-0.01	
-10047	H2A	SLES	1	36.6678	29.5743	18.4645	HCA2	10046	0	0	0	0.09	
-10048	H2B	SLES	1	37.1768	28.1435	19.4415	HCA2	10046	0	0	0	0.09	
-10049	C1	SLES	1	37.6756	30.0873	20.3453	CC32A	10046	10050	10051	10052	-0.01	
-10050	H1B	SLES	1	37.4017	31.1324	20.083	HCA2	10049	0	0	0	0.09	
-10051	H1A	SLES	1	37.0181	29.7438	21.1689	HCA2	10049	0	0	0	0.09	
-10052	O1	SLES	1	38.9786	30.3172	20.9716	OC30A	10049	10053	0	0	-0.34	
-10053	C1	SLES	1	38.9338	30.5995	22.4181	CTL2	10052	10054	10055	10056	-0.18	
-10054	H11	SLES	1	37.8741	30.7629	22.6855	HAL2	10053	0	0	0	0.09	
-10055	H12	SLES	1	39.2612	29.6267	22.8394	HAL2	10053	0	0	0	0.09	
-10056	C2	SLES	1	39.817	31.7658	23.0147	CTL2	10053	10057	10058	10059	-0.18	
-10057	H21	SLES	1	40.3617	32.2711	22.186	HAL2	10056	0	0	0	0.09	
-10058	H22	SLES	1	40.5719	31.3304	23.7054	HAL2	10056	0	0	0	0.09	
-10059	C3	SLES	1	38.9434	32.8547	23.8084	CTL2	10056	10060	10061	10062	-0.18	
-10060	H31	SLES	1	38.8349	33.7626	23.1741	HAL2	10059	0	0	0	0.09	
-10061	H32	SLES	1	37.9303	32.4431	23.9889	HAL2	10059	0	0	0	0.09	
-10062	C4	SLES	1	39.5844	33.271	25.1968	CTL2	10059	10063	10064	10065	-0.18	
-10063	H41	SLES	1	40.0799	34.2578	25.0827	HAL2	10062	0	0	0	0.09	
-10064	H42	SLES	1	40.3617	32.528	25.4773	HAL2	10062	0	0	0	0.09	
-10065	C5	SLES	1	38.5061	33.3607	26.3691	CTL2	10062	10066	10067	10068	-0.18	
-10066	H51	SLES	1	37.4899	33.4344	25.9227	HAL2	10065	0	0	0	0.09	
-10067	H52	SLES	1	38.5478	32.4251	26.9723	HAL2	10065	0	0	0	0.09	
-10068	C6	SLES	1	38.7355	34.5946	27.3209	CTL2	10065	10069	10070	10071	-0.18	
-10069	H61	SLES	1	38.4562	35.5267	26.7803	HAL2	10068	0	0	0	0.09	
-10070	H62	SLES	1	38.0652	34.4979	28.2068	HAL2	10068	0	0	0	0.09	
-10071	C7	SLES	1	40.2129	34.7139	27.8121	CTL2	10068	10072	10073	10074	-0.18	
-10072	H71	SLES	1	40.8208	35.2018	27.0183	HAL2	10071	0	0	0	0.09	
-10073	H72	SLES	1	40.6238	33.6936	27.981	HAL2	10071	0	0	0	0.09	
-10074	C8	SLES	1	40.3425	35.5332	29.1203	CTL2	10071	10075	10076	10077	-0.18	
-10075	H81	SLES	1	39.7364	36.4636	29.0289	HAL2	10074	0	0	0	0.09	
-10076	H82	SLES	1	39.9312	34.9362	29.9659	HAL2	10074	0	0	0	0.09	
-10077	C9	SLES	1	41.8105	35.9145	29.4367	CTL2	10074	10078	10079	10080	-0.18	
-10078	H91	SLES	1	42.2303	36.4861	28.5779	HAL2	10077	0	0	0	0.09	
-10079	H92	SLES	1	42.4096	34.9838	29.5555	HAL2	10077	0	0	0	0.09	
-10080	C10	SLES	1	41.9413	36.7664	30.7214	CTL2	10077	10081	10082	10083	-0.18	
-10081	H10	SLES	1	41.361	37.7086	30.5937	HAL2	10080	0	0	0	0.09	
-10082	H10	SLES	1	41.5017	36.2047	31.5765	HAL2	10080	0	0	0	0.09	
-10083	C11	SLES	1	43.4155	37.1205	31.052	CTL2	10080	10084	10085	10086	-0.18	
-10084	H11	SLES	1	43.8487	37.688	30.1968	HAL2	10083	0	0	0	0.09	
-10085	H11	SLES	1	43.9956	36.1757	31.1609	HAL2	10083	0	0	0	0.09	
-10086	C12	SLES	1	43.5817	37.9608	32.3446	CTL3	10083	10087	10088	10089	-0.27	
-10087	H12	SLES	1	44.0759	38.9304	32.1145	HAL3	10086	0	0	0	0.09	
-10088	H12	SLES	1	44.2051	37.4122	33.0848	HAL3	10086	0	0	0	0.09	
-10089	H12	SLES	1	42.5897	38.1684	32.8016	HAL3	10086	0	0	0	0.09	
-10090	NA	SLES	1	47.7458	23.603	12.673	NA	0	0	0	0	1	
-10091	S	SLES	1	45.562	22.4053	15.3463	SL	10092	10093	10094	10095	1.33	
-10092	OS1	SLES	1	46.5852	23.7253	15.4796	OSL	10091	10096	0	0	-0.28	
-10093	OS2	SLES	1	44.6806	22.6827	14.2311	O2L	10091	0	0	0	-0.65	
-10094	OS3	SLES	1	46.4064	21.2708	15.0359	O2L	10091	0	0	0	-0.65	
-10095	OS4	SLES	1	44.7786	22.1271	16.5394	O2L	10091	0	0	0	-0.65	
-10096	C2	SLES	1	46.3203	24.4574	16.7502	CC32A	10092	10097	10098	10099	-0.11	
-10097	H2A	SLES	1	45.2364	24.753	16.8196	HCA2	10096	0	0	0	0.09	
-10098	H2B	SLES	1	46.5688	23.7782	17.6122	HCA2	10096	0	0	0	0.09	
-10099	C1	SLES	1	47.2421	25.7663	16.8095	CC32A	10096	10100	10101	10102	-0.01	
-10100	H1B	SLES	1	47.061	26.3984	15.91	HCA2	10099	0	0	0	0.09	
-10101	H1A	SLES	1	48.3173	25.4724	16.8319	HCA2	10099	0	0	0	0.09	
-10102	O1	SLES	1	47.1007	26.7227	17.9245	OC30A	10099	10103	0	0	-0.34	
-10103	C2	SLES	1	46.4306	26.2401	19.108	CC32A	10102	10104	10105	10106	-0.01	
-10104	H2A	SLES	1	45.4294	25.982	18.7106	HCA2	10103	0	0	0	0.09	
-10105	H2B	SLES	1	46.9824	25.2988	19.3288	HCA2	10103	0	0	0	0.09	
-10106	C1	SLES	1	46.271	27.074	20.4181	CC32A	10103	10107	10108	10109	-0.01	
-10107	H1B	SLES	1	45.3187	27.6468	20.3844	HCA2	10106	0	0	0	0.09	
-10108	H1A	SLES	1	46.2417	26.3872	21.2876	HCA2	10106	0	0	0	0.09	
-10109	O1	SLES	1	47.194	28.1408	20.8089	OC30A	10106	10110	0	0	-0.34	
-10110	C1	SLES	1	47.3375	28.3392	22.2629	CTL2	10109	10111	10112	10113	-0.18	
-10111	H11	SLES	1	46.5491	27.7398	22.753	HAL2	10110	0	0	0	0.09	
-10112	H12	SLES	1	48.3194	27.8581	22.4517	HAL2	10110	0	0	0	0.09	
-10113	C2	SLES	1	47.336	29.8036	22.856	CTL2	10110	10114	10115	10116	-0.18	
-10114	H21	SLES	1	47.177	30.5316	22.0293	HAL2	10113	0	0	0	0.09	
-10115	H22	SLES	1	48.3302	30.0112	23.3087	HAL2	10113	0	0	0	0.09	
-10116	C3	SLES	1	46.1966	30.0158	23.9675	CTL2	10113	10117	10118	10119	-0.18	
-10117	H31	SLES	1	45.3587	30.5955	23.5198	HAL2	10116	0	0	0	0.09	
-10118	H32	SLES	1	45.8006	29.0267	24.2725	HAL2	10116	0	0	0	0.09	
-10119	C4	SLES	1	46.7202	30.7792	25.2539	CTL2	10116	10120	10121	10122	-0.18	
-10120	H41	SLES	1	46.3863	31.8367	25.2054	HAL2	10119	0	0	0	0.09	
-10121	H42	SLES	1	47.8315	30.7709	25.2562	HAL2	10119	0	0	0	0.09	
-10122	C5	SLES	1	46.1943	30.1274	26.6117	CTL2	10119	10123	10124	10125	-0.18	
-10123	H51	SLES	1	45.3171	29.4809	26.3882	HAL2	10122	0	0	0	0.09	
-10124	H52	SLES	1	46.9956	29.4814	27.0379	HAL2	10122	0	0	0	0.09	
-10125	C6	SLES	1	45.776	31.2007	27.6861	CTL2	10122	10126	10127	10128	-0.18	
-10126	H61	SLES	1	44.8252	31.6829	27.366	HAL2	10125	0	0	0	0.09	
-10127	H62	SLES	1	45.5895	30.6865	28.6579	HAL2	10125	0	0	0	0.09	
-10128	C7	SLES	1	46.8614	32.3036	27.8947	CTL2	10125	10129	10130	10131	-0.18	
-10129	H71	SLES	1	46.7673	33.0626	27.0867	HAL2	10128	0	0	0	0.09	
-10130	H72	SLES	1	47.8704	31.8408	27.8154	HAL2	10128	0	0	0	0.09	
-10131	C8	SLES	1	46.7371	33.0113	29.2669	CTL2	10128	10132	10133	10134	-0.18	
-10132	H81	SLES	1	45.6696	33.2764	29.4446	HAL2	10131	0	0	0	0.09	
-10133	H82	SLES	1	47.0551	32.3076	30.0695	HAL2	10131	0	0	0	0.09	
-10134	C9	SLES	1	47.5983	34.2966	29.35	CTL2	10131	10135	10136	10137	-0.18	
-10135	H91	SLES	1	47.2998	34.9873	28.5289	HAL2	10134	0	0	0	0.09	
-10136	H92	SLES	1	48.668	34.0269	29.2002	HAL2	10134	0	0	0	0.09	
-10137	C10	SLES	1	47.4473	35.0286	30.7046	CTL2	10134	10138	10139	10140	-0.18	
-10138	H10	SLES	1	46.3811	35.3192	30.844	HAL2	10137	0	0	0	0.09	
-10139	H10	SLES	1	47.7243	34.3315	31.5275	HAL2	10137	0	0	0	0.09	
-10140	C11	SLES	1	48.3345	36.2984	30.7959	CTL2	10137	10141	10142	10143	-0.18	
-10141	H11	SLES	1	48.049	36.9954	29.9749	HAL2	10140	0	0	0	0.09	
-10142	H11	SLES	1	49.3976	36.0054	30.6378	HAL2	10140	0	0	0	0.09	
-10143	C12	SLES	1	48.2181	37.0462	32.1492	CTL3	10140	10144	10145	10146	-0.27	
-10144	H12	SLES	1	47.8656	38.0885	31.9859	HAL3	10143	0	0	0	0.09	
-10145	H12	SLES	1	49.2071	37.0822	32.6573	HAL3	10143	0	0	0	0.09	
-10146	H12	SLES	1	47.4956	36.5282	32.8169	HAL3	10143	0	0	0	0.09	
-10147	NA	SLES	1	57.0901	25.3866	12.3963	NA	0	0	0	0	1	
-10148	S	SLES	1	56.9614	23.3565	15.4315	SL	10149	10150	10151	10152	1.33	
-10149	OS1	SLES	1	56.8171	25.0255	15.4021	OSL	10148	10153	0	0	-0.28	
-10150	OS2	SLES	1	55.9066	22.8403	14.584	O2L	10148	0	0	0	-0.65	
-10151	OS3	SLES	1	58.2526	23.0535	14.8503	O2L	10148	0	0	0	-0.65	
-10152	OS4	SLES	1	56.865	22.7665	16.7571	O2L	10148	0	0	0	-0.65	
-10153	C2	SLES	1	56.4188	25.5329	16.7453	CC32A	10149	10154	10155	10156	-0.11	
-10154	H2A	SLES	1	55.4731	25.0321	17.0946	HCA2	10153	0	0	0	0.09	
-10155	H2B	SLES	1	57.2445	25.3012	17.4739	HCA2	10153	0	0	0	0.09	
-10156	C1	SLES	1	56.1943	27.1172	16.668	CC32A	10153	10157	10158	10159	-0.01	
-10157	H1B	SLES	1	55.4395	27.3552	15.8837	HCA2	10156	0	0	0	0.09	
-10158	H1A	SLES	1	57.1532	27.6241	16.4098	HCA2	10156	0	0	0	0.09	
-10159	O1	SLES	1	55.6965	27.8538	17.8459	OC30A	10156	10160	0	0	-0.34	
-10160	C2	SLES	1	55.8156	27.1886	19.121	CC32A	10159	10161	10162	10163	-0.01	
-10161	H2A	SLES	1	55.1986	26.2827	18.9612	HCA2	10160	0	0	0	0.09	
-10162	H2B	SLES	1	56.8889	26.8932	19.1379	HCA2	10160	0	0	0	0.09	
-10163	C1	SLES	1	55.4313	27.8457	20.484	CC32A	10160	10164	10165	10166	-0.01	
-10164	H1B	SLES	1	54.3677	27.6245	20.7204	HCA2	10163	0	0	0	0.09	
-10165	H1A	SLES	1	56.0686	27.4233	21.2865	HCA2	10163	0	0	0	0.09	
-10166	O1	SLES	1	55.4451	29.2918	20.7109	OC30A	10163	10167	0	0	-0.34	
-10167	C1	SLES	1	55.7353	29.7025	22.097	CTL2	10166	10168	10169	10170	-0.18	
-10168	H11	SLES	1	55.696	28.7918	22.7217	HAL2	10167	0	0	0	0.09	
-10169	H12	SLES	1	56.7923	30.0289	22.0098	HAL2	10167	0	0	0	0.09	
-10170	C2	SLES	1	54.876	30.8447	22.7702	CTL2	10167	10171	10172	10173	-0.18	
-10171	H21	SLES	1	54.0881	31.1763	22.0575	HAL2	10170	0	0	0	0.09	
-10172	H22	SLES	1	55.5346	31.7153	22.982	HAL2	10170	0	0	0	0.09	
-10173	C3	SLES	1	54.1798	30.3666	24.136	CTL2	10170	10174	10175	10176	-0.18	
-10174	H31	SLES	1	53.0998	30.1789	23.9444	HAL2	10173	0	0	0	0.09	
-10175	H32	SLES	1	54.6384	29.4113	24.4603	HAL2	10173	0	0	0	0.09	
-10176	C4	SLES	1	54.3176	31.4268	25.306	CTL2	10173	10177	10178	10179	-0.18	
-10177	H41	SLES	1	53.3572	31.9734	25.4111	HAL2	10176	0	0	0	0.09	
-10178	H42	SLES	1	55.1041	32.165	25.0389	HAL2	10176	0	0	0	0.09	
-10179	C5	SLES	1	54.6913	30.7543	26.7036	CTL2	10176	10180	10181	10182	-0.18	
-10180	H51	SLES	1	54.4626	29.6667	26.6558	HAL2	10179	0	0	0	0.09	
-10181	H52	SLES	1	55.7857	30.8665	26.8788	HAL2	10179	0	0	0	0.09	
-10182	C6	SLES	1	53.9109	31.3865	27.9171	CTL2	10179	10183	10184	10185	-0.18	
-10183	H61	SLES	1	52.8458	31.0664	27.8697	HAL2	10182	0	0	0	0.09	
-10184	H62	SLES	1	54.3439	30.9974	28.8682	HAL2	10182	0	0	0	0.09	
-10185	C7	SLES	1	53.9738	32.9466	27.9308	CTL2	10182	10186	10187	10188	-0.18	
-10186	H71	SLES	1	53.2146	33.3465	27.2226	HAL2	10185	0	0	0	0.09	
-10187	H72	SLES	1	54.9776	33.2734	27.5787	HAL2	10185	0	0	0	0.09	
-10188	C8	SLES	1	53.7133	33.542	29.3368	CTL2	10185	10189	10190	10191	-0.18	
-10189	H81	SLES	1	52.824	33.0424	29.7849	HAL2	10188	0	0	0	0.09	
-10190	H82	SLES	1	54.5912	33.332	29.9893	HAL2	10188	0	0	0	0.09	
-10191	C9	SLES	1	53.4675	35.0712	29.2956	CTL2	10188	10192	10193	10194	-0.18	
-10192	H91	SLES	1	52.6081	35.2827	28.6195	HAL2	10191	0	0	0	0.09	
-10193	H92	SLES	1	54.3678	35.5721	28.8736	HAL2	10191	0	0	0	0.09	
-10194	C10	SLES	1	53.168	35.6646	30.6926	CTL2	10191	10195	10196	10197	-0.18	
-10195	H10	SLES	1	52.2537	35.1801	31.105	HAL2	10194	0	0	0	0.09	
-10196	H10	SLES	1	54.0171	35.4343	31.3751	HAL2	10194	0	0	0	0.09	
-10197	C11	SLES	1	52.9527	37.2008	30.6519	CTL2	10194	10198	10199	10200	-0.18	
-10198	H11	SLES	1	52.0982	37.4255	29.9734	HAL2	10197	0	0	0	0.09	
-10199	H11	SLES	1	53.8623	37.6792	30.2221	HAL2	10197	0	0	0	0.09	
-10200	C12	SLES	1	52.6666	37.8287	32.0405	CTL3	10197	10201	10202	10203	-0.27	
-10201	H12	SLES	1	51.6778	38.3383	32.038	HAL3	10200	0	0	0	0.09	
-10202	H12	SLES	1	53.4499	38.5763	32.2955	HAL3	10200	0	0	0	0.09	
-10203	H12	SLES	1	52.658	37.0425	32.8266	HAL3	10200	0	0	0	0.09	
-10204	NA	SLES	1	65.1239	30.074	12.3816	NA	0	0	0	0	1	
-10205	S	SLES	1	66.9004	29.1124	15.4262	SL	10206	10207	10208	10209	1.33	
-10206	OS1	SLES	1	65.6472	30.2231	15.3721	OSL	10205	10210	0	0	-0.28	
-10207	OS2	SLES	1	66.3738	27.8759	14.8868	O2L	10205	0	0	0	-0.65	
-10208	OS3	SLES	1	67.9344	29.629	14.5541	O2L	10205	0	0	0	-0.65	
-10209	OS4	SLES	1	67.444	28.8813	16.755	O2L	10205	0	0	0	-0.65	
-10210	C2	SLES	1	65.2256	30.5933	16.7526	CC32A	10206	10211	10212	10213	-0.11	
-10211	H2A	SLES	1	64.9527	29.6752	17.344	HCA2	10210	0	0	0	0.09	
-10212	H2B	SLES	1	66.0846	31.1125	17.2613	HCA2	10210	0	0	0	0.09	
-10213	C1	SLES	1	63.9661	31.5802	16.6752	CC32A	10210	10214	10215	10216	-0.01	
-10214	H1B	SLES	1	63.1444	31.1013	16.0948	HCA2	10213	0	0	0	0.09	
-10215	H1A	SLES	1	64.2585	32.5293	16.1685	HCA2	10213	0	0	0	0.09	
-10216	O1	SLES	1	63.2907	32.0186	17.912	OC30A	10213	10217	0	0	-0.34	
-10217	C2	SLES	1	64.0311	31.865	19.1411	CC32A	10216	10218	10219	10220	-0.01	
-10218	H2A	SLES	1	64.1902	30.7694	19.173	HCA2	10217	0	0	0	0.09	
-10219	H2B	SLES	1	64.9986	32.3612	18.9017	HCA2	10217	0	0	0	0.09	
-10220	C1	SLES	1	63.5196	32.3569	20.5317	CC32A	10217	10221	10222	10223	-0.01	
-10221	H1B	SLES	1	62.9534	31.5419	21.0328	HCA2	10220	0	0	0	0.09	
-10222	H1A	SLES	1	64.3875	32.6282	21.1657	HCA2	10220	0	0	0	0.09	
-10223	O1	SLES	1	62.5718	33.4605	20.6947	OC30A	10220	10224	0	0	-0.34	
-10224	C1	SLES	1	62.7122	34.2225	21.9491	CTL2	10223	10225	10226	10227	-0.18	
-10225	H11	SLES	1	63.4071	33.6584	22.5971	HAL2	10224	0	0	0	0.09	
-10226	H12	SLES	1	63.2247	35.1389	21.5902	HAL2	10224	0	0	0	0.09	
-10227	C2	SLES	1	61.4227	34.6179	22.7722	CTL2	10224	10228	10229	10230	-0.18	
-10228	H21	SLES	1	60.5244	34.1991	22.2658	HAL2	10227	0	0	0	0.09	
-10229	H22	SLES	1	61.3255	35.7256	22.7815	HAL2	10227	0	0	0	0.09	
-10230	C3	SLES	1	61.4699	34.0807	24.2847	CTL2	10227	10231	10232	10233	-0.18	
-10231	H31	SLES	1	60.8022	33.195	24.3745	HAL2	10230	0	0	0	0.09	
-10232	H32	SLES	1	62.5022	33.7532	24.5199	HAL2	10230	0	0	0	0.09	
-10233	C4	SLES	1	61.0223	35.1713	25.344	CTL2	10230	10234	10235	10236	-0.18	
-10234	H41	SLES	1	59.9815	34.9559	25.6642	HAL2	10233	0	0	0	0.09	
-10235	H42	SLES	1	61.032	36.173	24.8629	HAL2	10233	0	0	0	0.09	
-10236	C5	SLES	1	61.9675	35.2043	26.6287	CTL2	10233	10237	10238	10239	-0.18	
-10237	H51	SLES	1	62.5446	34.2546	26.6793	HAL2	10236	0	0	0	0.09	
-10238	H52	SLES	1	62.6948	36.0414	26.5223	HAL2	10236	0	0	0	0.09	
-10239	C6	SLES	1	61.1687	35.3876	27.9739	CTL2	10236	10240	10241	10242	-0.18	
-10240	H61	SLES	1	60.6249	34.444	28.2044	HAL2	10239	0	0	0	0.09	
-10241	H62	SLES	1	61.8918	35.5776	28.8013	HAL2	10239	0	0	0	0.09	
-10242	C7	SLES	1	60.1441	36.5643	27.9141	CTL2	10239	10243	10244	10245	-0.18	
-10243	H71	SLES	1	59.22	36.2151	27.4025	HAL2	10242	0	0	0	0.09	
-10244	H72	SLES	1	60.5774	37.3939	27.312	HAL2	10242	0	0	0	0.09	
-10245	C8	SLES	1	59.7697	37.1015	29.3179	CTL2	10242	10246	10247	10248	-0.18	
-10246	H81	SLES	1	59.5514	36.2409	29.9909	HAL2	10245	0	0	0	0.09	
-10247	H82	SLES	1	60.6391	37.6559	29.7392	HAL2	10245	0	0	0	0.09	
-10248	C9	SLES	1	58.5386	38.0416	29.2828	CTL2	10245	10249	10250	10251	-0.18	
-10249	H91	SLES	1	57.6777	37.4958	28.8341	HAL2	10248	0	0	0	0.09	
-10250	H92	SLES	1	58.7679	38.9155	28.6323	HAL2	10248	0	0	0	0.09	
-10251	C10	SLES	1	58.1365	38.5498	30.6876	CTL2	10248	10252	10253	10254	-0.18	
-10252	H10	SLES	1	57.8845	37.6767	31.3318	HAL2	10251	0	0	0	0.09	
-10253	H10	SLES	1	59.004	39.0764	31.1458	HAL2	10251	0	0	0	0.09	
-10254	C11	SLES	1	56.9223	39.5151	30.6452	CTL2	10251	10255	10256	10257	-0.18	
-10255	H11	SLES	1	56.0554	38.9817	30.1923	HAL2	10254	0	0	0	0.09	
-10256	H11	SLES	1	57.1725	40.3773	29.9856	HAL2	10254	0	0	0	0.09	
-10257	C12	SLES	1	56.5047	40.0556	32.0373	CTL3	10254	10258	10259	10260	-0.27	
-10258	H12	SLES	1	55.4524	39.7734	32.2616	HAL3	10257	0	0	0	0.09	
-10259	H12	SLES	1	56.5872	41.1646	32.062	HAL3	10257	0	0	0	0.09	
-10260	H12	SLES	1	57.1612	39.6338	32.8292	HAL3	10257	0	0	0	0.09	
-10261	NA	SLES	1	71.2576	37.2923	12.6313	NA	0	0	0	0	1	
-10262	S	SLES	1	73.394	38.5154	15.3313	SL	10263	10264	10265	10266	1.33	
-10263	OS1	SLES	1	71.7204	38.47	15.395	OSL	10262	10267	0	0	-0.28	
-10264	OS2	SLES	1	73.8305	37.1562	15.0873	O2L	10262	0	0	0	-0.65	
-10265	OS3	SLES	1	73.7315	39.3517	14.1984	O2L	10262	0	0	0	-0.65	
-10266	OS4	SLES	1	74.0291	39.0313	16.5334	O2L	10262	0	0	0	-0.65	
-10267	C2	SLES	1	71.2473	38.7924	16.7708	CC32A	10263	10268	10269	10270	-0.11	
-10268	H2A	SLES	1	71.7187	38.1021	17.5247	HCA2	10267	0	0	0	0.09	
-10269	H2B	SLES	1	71.5428	39.8512	17.0111	HCA2	10267	0	0	0	0.09	
-10270	C1	SLES	1	69.6528	38.649	16.8299	CC32A	10267	10271	10272	10273	-0.01	
-10271	H1B	SLES	1	69.3521	37.626	16.5067	HCA2	10270	0	0	0	0.09	
-10272	H1A	SLES	1	69.1794	39.3947	16.1496	HCA2	10270	0	0	0	0.09	
-10273	O1	SLES	1	68.9403	38.8181	18.1111	OC30A	10270	10274	0	0	-0.34	
-10274	C2	SLES	1	69.6581	39.4945	19.1647	CC32A	10273	10275	10276	10277	-0.01	
-10275	H2A	SLES	1	70.5291	38.8256	19.3093	HCA2	10274	0	0	0	0.09	
-10276	H2B	SLES	1	70.0011	40.4262	18.6611	HCA2	10274	0	0	0	0.09	
-10277	C1	SLES	1	69.0369	39.847	20.5529	CC32A	10274	10278	10279	10280	-0.01	
-10278	H1B	SLES	1	69.2197	39.0153	21.2677	HCA2	10277	0	0	0	0.09	
-10279	H1A	SLES	1	69.5173	40.7653	20.9461	HCA2	10277	0	0	0	0.09	
-10280	O1	SLES	1	67.6025	40.0501	20.7629	OC30A	10277	10281	0	0	-0.34	
-10281	C1	SLES	1	67.2581	40.9908	21.8448	CTL2	10280	10282	10283	10284	-0.18	
-10282	H11	SLES	1	68.1892	41.2032	22.4007	HAL2	10281	0	0	0	0.09	
-10283	H12	SLES	1	66.9756	41.894	21.2654	HAL2	10281	0	0	0	0.09	
-10284	C2	SLES	1	66.1054	40.6249	22.8616	CTL2	10281	10285	10286	10287	-0.18	
-10285	H21	SLES	1	65.7125	39.6124	22.6182	HAL2	10284	0	0	0	0.09	
-10286	H22	SLES	1	65.2735	41.3529	22.7421	HAL2	10284	0	0	0	0.09	
-10287	C3	SLES	1	66.6038	40.6406	24.388	CTL2	10284	10288	10289	10290	-0.18	
-10288	H31	SLES	1	66.7362	39.5918	24.7356	HAL2	10287	0	0	0	0.09	
-10289	H32	SLES	1	67.5901	41.1433	24.4409	HAL2	10287	0	0	0	0.09	
-10290	C4	SLES	1	65.596	41.3815	25.3614	CTL2	10287	10291	10292	10293	-0.18	
-10291	H41	SLES	1	65.0119	40.6213	25.9209	HAL2	10290	0	0	0	0.09	
-10292	H42	SLES	1	64.8837	41.9851	24.7587	HAL2	10290	0	0	0	0.09	
-10293	C5	SLES	1	66.3371	42.3391	26.4001	CTL2	10290	10294	10295	10296	-0.18	
-10294	H51	SLES	1	67.4108	42.0538	26.4546	HAL2	10293	0	0	0	0.09	
-10295	H52	SLES	1	66.2801	43.3884	26.0303	HAL2	10293	0	0	0	0.09	
-10296	C6	SLES	1	65.7176	42.2716	27.8468	CTL2	10293	10297	10298	10299	-0.18	
-10297	H61	SLES	1	65.9882	41.2973	28.3122	HAL2	10296	0	0	0	0.09	
-10298	H62	SLES	1	66.1613	43.0838	28.4689	HAL2	10296	0	0	0	0.09	
-10299	C7	SLES	1	64.1634	42.4223	27.8477	CTL2	10296	10300	10301	10302	-0.18	
-10300	H71	SLES	1	63.7037	41.441	27.5953	HAL2	10299	0	0	0	0.09	
-10301	H72	SLES	1	63.8681	43.1522	27.0613	HAL2	10299	0	0	0	0.09	
-10302	C8	SLES	1	63.611	42.9004	29.2135	CTL2	10299	10303	10304	10305	-0.18	
-10303	H81	SLES	1	64.0875	42.3068	30.0271	HAL2	10302	0	0	0	0.09	
-10304	H82	SLES	1	63.8843	43.9699	29.3624	HAL2	10302	0	0	0	0.09	
-10305	C9	SLES	1	62.0719	42.7525	29.3138	CTL2	10302	10306	10307	10308	-0.18	
-10306	H91	SLES	1	61.7971	41.6881	29.1355	HAL2	10305	0	0	0	0.09	
-10307	H92	SLES	1	61.5956	43.3682	28.5179	HAL2	10305	0	0	0	0.09	
-10308	C10	SLES	1	61.5195	43.192	30.6904	CTL2	10305	10309	10310	10311	-0.18	
-10309	H10	SLES	1	61.9784	42.5604	31.485	HAL2	10308	0	0	0	0.09	
-10310	H10	SLES	1	61.8129	44.2495	30.8792	HAL2	10308	0	0	0	0.09	
-10311	C11	SLES	1	59.9748	43.0715	30.7767	CTL2	10308	10312	10313	10314	-0.18	
-10312	H11	SLES	1	59.6869	42.0109	30.594	HAL2	10311	0	0	0	0.09	
-10313	H11	SLES	1	59.5211	43.6904	29.9692	HAL2	10311	0	0	0	0.09	
-10314	C12	SLES	1	59.3881	43.5207	32.14	CTL3	10311	10315	10316	10317	-0.27	
-10315	H12	SLES	1	58.8356	42.6821	32.6182	HAL3	10314	0	0	0	0.09	
-10316	H12	SLES	1	58.6861	44.3718	31.9971	HAL3	10314	0	0	0	0.09	
-10317	H12	SLES	1	60.2025	43.8443	32.8242	HAL3	10314	0	0	0	0.09	
-10318	NA	SLES	1	64.4952	46.6805	7.64523	NA	0	0	0	0	1	
-10319	S	SLES	1	65.6288	49.6329	9.47517	SL	10320	10321	10322	10323	1.33	
-10320	OS1	SLES	1	64.5503	48.5015	10.0784	OSL	10319	10324	0	0	-0.28	
-10321	OS2	SLES	1	66.8362	48.9074	9.13878	O2L	10319	0	0	0	-0.65	
-10322	OS3	SLES	1	65.0233	50.1654	8.27251	O2L	10319	0	0	0	-0.65	
-10323	OS4	SLES	1	65.9416	50.7166	10.393	O2L	10319	0	0	0	-0.65	
-10324	C2	SLES	1	64.2927	48.7537	11.5243	CC32A	10320	10325	10326	10327	-0.11	
-10325	H2A	SLES	1	65.2582	48.769	12.1029	HCA2	10324	0	0	0	0.09	
-10326	H2B	SLES	1	63.7896	49.7548	11.6282	HCA2	10324	0	0	0	0.09	
-10327	C1	SLES	1	63.336	47.605	12.1002	CC32A	10324	10328	10329	10330	-0.01	
-10328	H1B	SLES	1	63.7928	46.605	11.9187	HCA2	10327	0	0	0	0.09	
-10329	H1A	SLES	1	62.3452	47.6455	11.5905	HCA2	10327	0	0	0	0.09	
-10330	O1	SLES	1	63.0066	47.5663	13.5382	OC30A	10327	10331	0	0	-0.34	
-10331	C2	SLES	1	63.2297	48.7812	14.2844	CC32A	10330	10332	10333	10334	-0.01	
-10332	H2A	SLES	1	64.3202	48.927	14.1568	HCA2	10331	0	0	0	0.09	
-10333	H2B	SLES	1	62.6923	49.5404	13.6727	HCA2	10331	0	0	0	0.09	
-10334	C1	SLES	1	62.8538	48.9589	15.7892	CC32A	10331	10335	10336	10337	-0.01	
-10335	H1B	SLES	1	63.7177	48.6728	16.4279	HCA2	10334	0	0	0	0.09	
-10336	H1A	SLES	1	62.6068	50.0222	15.9815	HCA2	10334	0	0	0	0.09	
-10337	O1	SLES	1	61.7903	48.198	16.4469	OC30A	10334	10338	0	0	-0.34	
-10338	C1	SLES	1	61.118	48.898	17.557	CTL2	10337	10339	10340	10341	-0.18	
-10339	H11	SLES	1	61.7094	49.8054	17.7757	HAL2	10338	0	0	0	0.09	
-10340	H12	SLES	1	60.1649	49.2014	17.0767	HAL2	10338	0	0	0	0.09	
-10341	C2	SLES	1	60.8175	48.1243	18.9014	CTL2	10338	10342	10343	10344	-0.18	
-10342	H21	SLES	1	61.2216	47.0901	18.825	HAL2	10341	0	0	0	0.09	
-10343	H22	SLES	1	59.7163	48.0523	19.0385	HAL2	10341	0	0	0	0.09	
-10344	C3	SLES	1	61.4619	48.8454	20.1833	CTL2	10341	10345	10346	10347	-0.18	
-10345	H31	SLES	1	62.3689	48.2821	20.4967	HAL2	10344	0	0	0	0.09	
-10346	H32	SLES	1	61.7784	49.8692	19.9008	HAL2	10344	0	0	0	0.09	
-10347	C4	SLES	1	60.4632	48.9359	21.4107	CTL2	10344	10348	10349	10350	-0.18	
-10348	H41	SLES	1	60.7286	48.1506	22.1489	HAL2	10347	0	0	0	0.09	
-10349	H42	SLES	1	59.4293	48.7366	21.0555	HAL2	10347	0	0	0	0.09	
-10350	C5	SLES	1	60.4991	50.3604	22.1281	CTL2	10347	10351	10352	10353	-0.18	
-10351	H51	SLES	1	61.4344	50.8888	21.8395	HAL2	10350	0	0	0	0.09	
-10352	H52	SLES	1	59.6377	50.9688	21.7692	HAL2	10350	0	0	0	0.09	
-10353	C6	SLES	1	60.435	50.2583	23.6987	CTL2	10350	10354	10355	10356	-0.18	
-10354	H61	SLES	1	61.4068	49.8686	24.0768	HAL2	10353	0	0	0	0.09	
-10355	H62	SLES	1	60.2868	51.2793	24.122	HAL2	10353	0	0	0	0.09	
-10356	C7	SLES	1	59.2843	49.3289	24.1986	CTL2	10353	10357	10358	10359	-0.18	
-10357	H71	SLES	1	59.6195	48.27	24.1345	HAL2	10356	0	0	0	0.09	
-10358	H72	SLES	1	58.4021	49.4508	23.5314	HAL2	10356	0	0	0	0.09	
-10359	C8	SLES	1	58.8606	49.6352	25.6567	CTL2	10356	10360	10361	10362	-0.18	
-10360	H81	SLES	1	59.7733	49.7367	26.2875	HAL2	10359	0	0	0	0.09	
-10361	H82	SLES	1	58.3157	50.6064	25.681	HAL2	10359	0	0	0	0.09	
-10362	C9	SLES	1	57.953	48.5305	26.2537	CTL2	10359	10363	10364	10365	-0.18	
-10363	H91	SLES	1	58.4871	47.5546	26.202	HAL2	10362	0	0	0	0.09	
-10364	H92	SLES	1	57.0284	48.449	25.639	HAL2	10362	0	0	0	0.09	
-10365	C10	SLES	1	57.559	48.8123	27.723	CTL2	10362	10366	10367	10368	-0.18	
-10366	H10	SLES	1	58.483	48.8706	28.3425	HAL2	10365	0	0	0	0.09	
-10367	H10	SLES	1	57.0446	49.7983	27.7788	HAL2	10365	0	0	0	0.09	
-10368	C11	SLES	1	56.6253	47.7197	28.3079	CTL2	10365	10369	10370	10371	-0.18	
-10369	H11	SLES	1	57.1469	46.7366	28.256	HAL2	10368	0	0	0	0.09	
-10370	H11	SLES	1	55.7111	47.6526	27.6747	HAL2	10368	0	0	0	0.09	
-10371	C12	SLES	1	56.1986	47.9822	29.7753	CTL3	10368	10372	10373	10374	-0.27	
-10372	H12	SLES	1	56.5238	47.1425	30.4285	HAL3	10371	0	0	0	0.09	
-10373	H12	SLES	1	55.0925	48.0775	29.8451	HAL3	10371	0	0	0	0.09	
-10374	H12	SLES	1	56.6595	48.9218	30.1503	HAL3	10371	0	0	0	0.09	
-10375	NA	SLES	1	64.1528	56.8387	8.23365	NA	0	0	0	0	1	
-10376	S	SLES	1	61.5156	59.1448	9.27176	SL	10377	10378	10379	10380	1.33	
-10377	OS1	SLES	1	62.0519	57.8468	10.1855	OSL	10376	10381	0	0	-0.28	
-10378	OS2	SLES	1	62.6744	59.9781	9.02644	O2L	10376	0	0	0	-0.65	
-10379	OS3	SLES	1	61.0364	58.5883	8.02384	O2L	10376	0	0	0	-0.65	
-10380	OS4	SLES	1	60.4647	59.9301	9.89903	O2L	10376	0	0	0	-0.65	
-10381	C2	SLES	1	61.4589	57.8972	11.5515	CC32A	10377	10382	10383	10384	-0.11	
-10382	H2A	SLES	1	61.6823	58.8838	12.0453	HCA2	10381	0	0	0	0.09	
-10383	H2B	SLES	1	60.3435	57.7791	11.4613	HCA2	10381	0	0	0	0.09	
-10384	C1	SLES	1	62.0598	56.703	12.4343	CC32A	10381	10385	10386	10387	-0.01	
-10385	H1B	SLES	1	63.172	56.7673	12.452	HCA2	10384	0	0	0	0.09	
-10386	H1A	SLES	1	61.7633	55.7214	11.9966	HCA2	10384	0	0	0	0.09	
-10387	O1	SLES	1	61.7085	56.5878	13.863	OC30A	10384	10388	0	0	-0.34	
-10388	C2	SLES	1	60.5375	57.3092	14.3001	CC32A	10387	10389	10390	10391	-0.01	
-10389	H2A	SLES	1	60.8183	58.3555	14.0696	HCA2	10388	0	0	0	0.09	
-10390	H2B	SLES	1	59.7649	56.9762	13.5709	HCA2	10388	0	0	0	0.09	
-10391	C1	SLES	1	59.9592	57.2328	15.7482	CC32A	10388	10392	10393	10394	-0.01	
-10392	H1B	SLES	1	60.4108	58.0323	16.3751	HCA2	10391	0	0	0	0.09	
-10393	H1A	SLES	1	58.8621	57.3866	15.7126	HCA2	10391	0	0	0	0.09	
-10394	O1	SLES	1	60.1518	56.0807	16.6305	OC30A	10391	10395	0	0	-0.34	
-10395	C1	SLES	1	59.0634	55.8474	17.5974	CTL2	10394	10396	10397	10398	-0.18	
-10396	H11	SLES	1	58.404	56.7335	17.566	HAL2	10395	0	0	0	0.09	
-10397	H12	SLES	1	58.5343	54.9932	17.1267	HAL2	10395	0	0	0	0.09	
-10398	C2	SLES	1	59.4125	55.4993	19.0985	CTL2	10395	10399	10400	10401	-0.18	
-10399	H21	SLES	1	60.5175	55.5181	19.2296	HAL2	10398	0	0	0	0.09	
-10400	H22	SLES	1	59.0585	54.4692	19.3224	HAL2	10398	0	0	0	0.09	
-10401	C3	SLES	1	58.7439	56.5236	20.1389	CTL2	10398	10402	10403	10404	-0.18	
-10402	H31	SLES	1	59.5253	57.2241	20.509	HAL2	10401	0	0	0	0.09	
-10403	H32	SLES	1	57.9733	57.1216	19.6127	HAL2	10401	0	0	0	0.09	
-10404	C4	SLES	1	58.0742	55.7986	21.379	CTL2	10401	10405	10406	10407	-0.18	
-10405	H41	SLES	1	58.7498	55.8874	22.2554	HAL2	10404	0	0	0	0.09	
-10406	H42	SLES	1	57.9529	54.7183	21.1484	HAL2	10404	0	0	0	0.09	
-10407	C5	SLES	1	56.6498	56.4117	21.7535	CTL2	10404	10408	10409	10410	-0.18	
-10408	H51	SLES	1	56.5552	57.4189	21.291	HAL2	10407	0	0	0	0.09	
-10409	H52	SLES	1	55.8519	55.7625	21.326	HAL2	10407	0	0	0	0.09	
-10410	C6	SLES	1	56.4268	56.5414	23.3075	CTL2	10407	10411	10412	10413	-0.18	
-10411	H61	SLES	1	57.0605	57.3694	23.6971	HAL2	10410	0	0	0	0.09	
-10412	H62	SLES	1	55.3607	56.8059	23.4994	HAL2	10410	0	0	0	0.09	
-10413	C7	SLES	1	56.7718	55.2291	24.0802	CTL2	10410	10414	10415	10416	-0.18	
-10414	H71	SLES	1	57.8726	55.1771	24.2335	HAL2	10413	0	0	0	0.09	
-10415	H72	SLES	1	56.4692	54.3535	23.4638	HAL2	10413	0	0	0	0.09	
-10416	C8	SLES	1	56.0675	55.1447	25.4572	CTL2	10413	10417	10418	10419	-0.18	
-10417	H81	SLES	1	56.1835	56.1186	25.9859	HAL2	10416	0	0	0	0.09	
-10418	H82	SLES	1	54.9795	54.9664	25.2991	HAL2	10416	0	0	0	0.09	
-10419	C9	SLES	1	56.6417	54.014	26.3473	CTL2	10416	10420	10421	10422	-0.18	
-10420	H91	SLES	1	57.7354	54.1768	26.4804	HAL2	10419	0	0	0	0.09	
-10421	H92	SLES	1	56.5002	53.0382	25.8305	HAL2	10419	0	0	0	0.09	
-10422	C10	SLES	1	55.9684	53.9507	27.7387	CTL2	10419	10423	10424	10425	-0.18	
-10423	H10	SLES	1	56.13	54.9188	28.2653	HAL2	10422	0	0	0	0.09	
-10424	H10	SLES	1	54.8718	53.8101	27.6059	HAL2	10422	0	0	0	0.09	
-10425	C11	SLES	1	56.5245	52.7979	28.616	CTL2	10422	10426	10427	10428	-0.18	
-10426	H11	SLES	1	57.6203	52.9466	28.7516	HAL2	10425	0	0	0	0.09	
-10427	H11	SLES	1	56.377	51.834	28.0774	HAL2	10425	0	0	0	0.09	
-10428	C12	SLES	1	55.8575	52.6974	30.0122	CTL3	10425	10429	10430	10431	-0.27	
-10429	H12	SLES	1	56.6199	52.8116	30.814	HAL3	10428	0	0	0	0.09	
-10430	H12	SLES	1	55.3612	51.7091	30.1333	HAL3	10428	0	0	0	0.09	
-10431	H12	SLES	1	55.0927	53.4951	30.1342	HAL3	10428	0	0	0	0.09	
-10432	NA	SLES	1	56.3784	65.7839	8.79147	NA	0	0	0	0	1	
-10433	S	SLES	1	53.1339	64.1293	9.08477	SL	10434	10435	10436	10437	1.33	
-10434	OS1	SLES	1	54.2838	64.1808	10.3023	OSL	10433	10438	0	0	-0.28	
-10435	OS2	SLES	1	52.83	65.5055	8.75149	O2L	10433	0	0	0	-0.65	
-10436	OS3	SLES	1	53.7691	63.4787	7.95793	O2L	10433	0	0	0	-0.65	
-10437	OS4	SLES	1	51.9124	63.4242	9.43888	O2L	10433	0	0	0	-0.65	
-10438	C2	SLES	1	53.7142	63.6504	11.5729	CC32A	10434	10439	10440	10441	-0.11	
-10439	H2A	SLES	1	52.7772	64.2085	11.8515	HCA2	10438	0	0	0	0.09	
-10440	H2B	SLES	1	53.461	62.5641	11.4249	HCA2	10438	0	0	0	0.09	
-10441	C1	SLES	1	54.799	63.7986	12.7423	CC32A	10438	10442	10443	10444	-0.01	
-10442	H1B	SLES	1	55.1172	64.8628	12.8316	HCA2	10441	0	0	0	0.09	
-10443	H1A	SLES	1	55.6934	63.1742	12.5115	HCA2	10441	0	0	0	0.09	
-10444	O1	SLES	1	54.4481	63.4369	14.1294	OC30A	10441	10445	0	0	-0.34	
-10445	C2	SLES	1	53.2884	62.5959	14.3035	CC32A	10444	10446	10447	10448	-0.01	
-10446	H2A	SLES	1	52.4867	63.2248	13.8693	HCA2	10445	0	0	0	0.09	
-10447	H2B	SLES	1	53.498	61.7517	13.6086	HCA2	10445	0	0	0	0.09	
-10448	C1	SLES	1	52.8199	62.0352	15.6831	CC32A	10445	10449	10450	10451	-0.01	
-10449	H1B	SLES	1	52.1	62.742	16.1503	HCA2	10448	0	0	0	0.09	
-10450	H1A	SLES	1	52.3128	61.0617	15.5293	HCA2	10448	0	0	0	0.09	
-10451	O1	SLES	1	53.7268	61.8159	16.811	OC30A	10448	10452	0	0	-0.34	
-10452	C1	SLES	1	53.3395	60.7199	17.7182	CTL2	10451	10453	10454	10455	-0.18	
-10453	H11	SLES	1	52.315	60.4133	17.4401	HAL2	10452	0	0	0	0.09	
-10454	H12	SLES	1	54.0461	59.9222	17.4089	HAL2	10452	0	0	0	0.09	
-10455	C2	SLES	1	53.4232	60.9326	19.2816	CTL2	10452	10456	10457	10458	-0.18	
-10456	H21	SLES	1	53.7537	61.9746	19.4906	HAL2	10455	0	0	0	0.09	
-10457	H22	SLES	1	54.1866	60.2408	19.7001	HAL2	10455	0	0	0	0.09	
-10458	C3	SLES	1	52.0182	60.6715	20.0139	CTL2	10455	10459	10460	10461	-0.18	
-10459	H31	SLES	1	51.5615	61.6511	20.2791	HAL2	10458	0	0	0	0.09	
-10460	H32	SLES	1	51.334	60.157	19.3101	HAL2	10458	0	0	0	0.09	
-10461	C4	SLES	1	52.1574	59.7966	21.3281	CTL2	10458	10462	10463	10464	-0.18	
-10462	H41	SLES	1	52.1021	60.465	22.2127	HAL2	10461	0	0	0	0.09	
-10463	H42	SLES	1	53.1529	59.3026	21.334	HAL2	10461	0	0	0	0.09	
-10464	C5	SLES	1	51.0241	58.68	21.4457	CTL2	10461	10465	10466	10467	-0.18	
-10465	H51	SLES	1	50.1839	58.9424	20.7655	HAL2	10464	0	0	0	0.09	
-10466	H52	SLES	1	51.442	57.7027	21.1121	HAL2	10464	0	0	0	0.09	
-10467	C6	SLES	1	50.465	58.5249	22.9102	CTL2	10464	10468	10469	10470	-0.18	
-10468	H61	SLES	1	49.837	59.4109	23.1545	HAL2	10467	0	0	0	0.09	
-10469	H62	SLES	1	49.8143	57.6204	22.9553	HAL2	10467	0	0	0	0.09	
-10470	C7	SLES	1	51.5955	58.3915	23.9789	CTL2	10467	10471	10472	10473	-0.18	
-10471	H71	SLES	1	51.9836	59.4047	24.2249	HAL2	10470	0	0	0	0.09	
-10472	H72	SLES	1	52.4333	57.7975	23.5504	HAL2	10470	0	0	0	0.09	
-10473	C8	SLES	1	51.1079	57.7096	25.2815	CTL2	10470	10474	10475	10476	-0.18	
-10474	H81	SLES	1	50.1374	58.1628	25.5886	HAL2	10473	0	0	0	0.09	
-10475	H82	SLES	1	50.9348	56.6274	25.0829	HAL2	10473	0	0	0	0.09	
-10476	C9	SLES	1	52.1241	57.8552	26.4419	CTL2	10473	10477	10478	10479	-0.18	
-10477	H91	SLES	1	52.3191	58.9372	26.6201	HAL2	10476	0	0	0	0.09	
-10478	H92	SLES	1	53.0848	57.3775	26.1449	HAL2	10476	0	0	0	0.09	
-10479	C10	SLES	1	51.6246	57.2099	27.7562	CTL2	10476	10480	10481	10482	-0.18	
-10480	H10	SLES	1	50.6754	57.7038	28.066	HAL2	10479	0	0	0	0.09	
-10481	H10	SLES	1	51.4082	56.133	27.5732	HAL2	10479	0	0	0	0.09	
-10482	C11	SLES	1	52.6577	57.3306	28.9076	CTL2	10479	10483	10484	10485	-0.18	
-10483	H11	SLES	1	52.8657	58.4096	29.0914	HAL2	10482	0	0	0	0.09	
-10484	H11	SLES	1	53.6106	56.8514	28.5863	HAL2	10482	0	0	0	0.09	
-10485	C12	SLES	1	52.193	56.6782	30.2353	CTL3	10482	10486	10487	10488	-0.27	
-10486	H12	SLES	1	52.1619	57.4364	31.0485	HAL3	10485	0	0	0	0.09	
-10487	H12	SLES	1	52.8938	55.8673	30.5335	HAL3	10485	0	0	0	0.09	
-10488	H12	SLES	1	51.1769	56.2427	30.1177	HAL3	10485	0	0	0	0.09	
-10489	NA	SLES	1	43.4762	67.286	9.10565	NA	0	0	0	0	1	
-10490	S	SLES	1	43.8676	63.6552	8.98561	SL	10491	10492	10493	10494	1.33	
-10491	OS1	SLES	1	43.9675	64.5724	10.3842	OSL	10490	10495	0	0	-0.28	
-10492	OS2	SLES	1	42.5605	63.9156	8.41895	O2L	10490	0	0	0	-0.65	
-10493	OS3	SLES	1	44.897	64.1577	8.09994	O2L	10490	0	0	0	-0.65	
-10494	OS4	SLES	1	44.0438	62.2261	9.1883	O2L	10490	0	0	0	-0.65	
-10495	C2	SLES	1	44.0223	63.6855	11.5803	CC32A	10491	10496	10497	10498	-0.11	
-10496	H2A	SLES	1	43.1416	62.9845	11.5955	HCA2	10495	0	0	0	0.09	
-10497	H2B	SLES	1	44.9694	63.0798	11.5327	HCA2	10495	0	0	0	0.09	
-10498	C1	SLES	1	44.0206	64.584	12.9066	CC32A	10495	10499	10500	10501	-0.01	
-10499	H1B	SLES	1	43.1269	65.2494	12.9124	HCA2	10498	0	0	0	0.09	
-10500	H1A	SLES	1	44.9391	65.2152	12.9384	HCA2	10498	0	0	0	0.09	
-10501	O1	SLES	1	43.97	63.9441	14.2354	OC30A	10498	10502	0	0	-0.34	
-10502	C2	SLES	1	44.327	62.547	14.2932	CC32A	10501	10503	10504	10505	-0.01	
-10503	H2A	SLES	1	43.5635	62.0918	13.6323	HCA2	10502	0	0	0	0.09	
-10504	H2B	SLES	1	45.3101	62.529	13.7711	HCA2	10502	0	0	0	0.09	
-10505	C1	SLES	1	44.4223	61.7279	15.6189	CC32A	10502	10506	10507	10508	-0.01	
-10506	H1B	SLES	1	43.4402	61.2557	15.8394	HCA2	10505	0	0	0	0.09	
-10507	H1A	SLES	1	45.1819	60.9293	15.5016	HCA2	10505	0	0	0	0.09	
-10508	O1	SLES	1	44.7087	62.3351	16.9196	OC30A	10505	10509	0	0	-0.34	
-10509	C1	SLES	1	45.4163	61.4611	17.8732	CTL2	10508	10510	10511	10512	-0.18	
-10510	H11	SLES	1	45.4123	60.442	17.4461	HAL2	10509	0	0	0	0.09	
-10511	H12	SLES	1	46.4474	61.867	17.8157	HAL2	10509	0	0	0	0.09	
-10512	C2	SLES	1	44.946	61.4059	19.3806	CTL2	10509	10513	10514	10515	-0.18	
-10513	H21	SLES	1	44.0537	62.0588	19.5082	HAL2	10512	0	0	0	0.09	
-10514	H22	SLES	1	45.7578	61.8052	20.0273	HAL2	10512	0	0	0	0.09	
-10515	C3	SLES	1	44.5783	59.9169	19.8561	CTL2	10512	10516	10517	10518	-0.18	
-10516	H31	SLES	1	43.471	59.8132	19.8947	HAL2	10515	0	0	0	0.09	
-10517	H32	SLES	1	44.9615	59.1939	19.1086	HAL2	10515	0	0	0	0.09	
-10518	C4	SLES	1	45.1785	59.5542	21.2774	CTL2	10515	10519	10520	10521	-0.18	
-10519	H41	SLES	1	44.3724	59.6259	22.0372	HAL2	10518	0	0	0	0.09	
-10520	H42	SLES	1	45.9644	60.2941	21.5414	HAL2	10518	0	0	0	0.09	
-10521	C5	SLES	1	45.8095	58.0896	21.3223	CTL2	10518	10522	10523	10524	-0.18	
-10522	H51	SLES	1	45.4192	57.4997	20.4638	HAL2	10521	0	0	0	0.09	
-10523	H52	SLES	1	46.915	58.1676	21.2094	HAL2	10521	0	0	0	0.09	
-10524	C6	SLES	1	45.484	57.3218	22.6585	CTL2	10521	10525	10526	10527	-0.18	
-10525	H61	SLES	1	44.41	57.029	22.6563	HAL2	10524	0	0	0	0.09	
-10526	H62	SLES	1	46.0937	56.3889	22.6978	HAL2	10524	0	0	0	0.09	
-10527	C7	SLES	1	45.7768	58.1743	23.9335	CTL2	10524	10528	10529	10530	-0.18	
-10528	H71	SLES	1	44.9231	58.8651	24.112	HAL2	10527	0	0	0	0.09	
-10529	H72	SLES	1	46.6865	58.7907	23.7581	HAL2	10527	0	0	0	0.09	
-10530	C8	SLES	1	45.9925	57.3041	25.1967	CTL2	10527	10531	10532	10533	-0.18	
-10531	H81	SLES	1	45.1921	56.5307	25.2472	HAL2	10530	0	0	0	0.09	
-10532	H82	SLES	1	46.9723	56.7806	25.115	HAL2	10530	0	0	0	0.09	
-10533	C9	SLES	1	45.9722	58.1395	26.5014	CTL2	10530	10534	10535	10536	-0.18	
-10534	H91	SLES	1	45.0039	58.6859	26.5675	HAL2	10533	0	0	0	0.09	
-10535	H92	SLES	1	46.7901	58.8937	26.462	HAL2	10533	0	0	0	0.09	
-10536	C10	SLES	1	46.148	57.2699	27.7687	CTL2	10533	10537	10538	10539	-0.18	
-10537	H10	SLES	1	45.3166	56.5305	27.8206	HAL2	10536	0	0	0	0.09	
-10538	H10	SLES	1	47.1054	56.7063	27.6931	HAL2	10536	0	0	0	0.09	
-10539	C11	SLES	1	46.1579	58.1132	29.0713	CTL2	10536	10540	10541	10542	-0.18	
-10540	H11	SLES	1	45.1956	58.6696	29.1458	HAL2	10539	0	0	0	0.09	
-10541	H11	SLES	1	46.9793	58.8629	29.007	HAL2	10539	0	0	0	0.09	
-10542	C12	SLES	1	46.3493	57.2714	30.3594	CTL3	10539	10543	10544	10545	-0.27	
-10543	H12	SLES	1	45.482	57.4073	31.0424	HAL3	10542	0	0	0	0.09	
-10544	H12	SLES	1	47.2733	57.586	30.893	HAL3	10542	0	0	0	0.09	
-10545	H12	SLES	1	46.436	56.192	30.1072	HAL3	10542	0	0	0	0.09	
-10546	NA	SLES	1	32.8445	59.2692	9.05616	NA	0	0	0	0	1	
-10547	S	SLES	1	36.3876	58.3777	9.01217	SL	10548	10549	10550	10551	1.33	
-10548	OS1	SLES	1	35.4544	58.4804	10.3999	OSL	10547	10552	0	0	-0.28	
-10549	OS2	SLES	1	35.7403	57.4055	8.15584	O2L	10547	0	0	0	-0.65	
-10550	OS3	SLES	1	36.3382	59.6869	8.39563	O2L	10547	0	0	0	-0.65	
-10551	OS4	SLES	1	37.7704	57.9915	9.243	O2L	10547	0	0	0	-0.65	
-10552	C2	SLES	1	36.2109	57.9539	11.5707	CC32A	10548	10553	10554	10555	-0.11	
-10553	H2A	SLES	1	36.5646	56.9033	11.3751	HCA2	10552	0	0	0	0.09	
-10554	H2B	SLES	1	37.1059	58.6136	11.7437	HCA2	10552	0	0	0	0.09	
-10555	C1	SLES	1	35.2661	57.9737	12.8643	CC32A	10552	10556	10557	10558	-0.01	
-10556	H1B	SLES	1	34.3366	57.3928	12.6637	HCA2	10555	0	0	0	0.09	
-10557	H1A	SLES	1	34.987	59.0238	13.1142	HCA2	10555	0	0	0	0.09	
-10558	O1	SLES	1	35.7449	57.4086	14.1408	OC30A	10555	10559	0	0	-0.34	
-10559	C2	SLES	1	37.1708	57.2302	14.2733	CC32A	10558	10560	10561	10562	-0.01	
-10560	H2A	SLES	1	37.3869	56.5224	13.4493	HCA2	10559	0	0	0	0.09	
-10561	H2B	SLES	1	37.5646	58.234	13.9966	HCA2	10559	0	0	0	0.09	
-10562	C1	SLES	1	37.8675	56.7356	15.5799	CC32A	10559	10563	10564	10565	-0.01	
-10563	H1B	SLES	1	37.9564	55.6275	15.5613	HCA2	10562	0	0	0	0.09	
-10564	H1A	SLES	1	38.8845	57.1724	15.6401	HCA2	10562	0	0	0	0.09	
-10565	O1	SLES	1	37.2961	56.9209	16.9148	OC30A	10562	10566	0	0	-0.34	
-10566	C1	SLES	1	38.2827	57.0466	18.0032	CTL2	10565	10567	10568	10569	-0.18	
-10567	H11	SLES	1	39.2687	56.7799	17.5817	HAL2	10566	0	0	0	0.09	
-10568	H12	SLES	1	38.2601	58.1399	18.1915	HAL2	10566	0	0	0	0.09	
-10569	C2	SLES	1	38.0564	56.2652	19.3577	CTL2	10566	10570	10571	10572	-0.18	
-10570	H21	SLES	1	37.1298	55.6543	19.2757	HAL2	10569	0	0	0	0.09	
-10571	H22	SLES	1	37.9103	57.0005	20.179	HAL2	10569	0	0	0	0.09	
-10572	C3	SLES	1	39.288	55.3027	19.7257	CTL2	10569	10573	10574	10575	-0.18	
-10573	H31	SLES	1	39.0031	54.2503	19.5027	HAL2	10572	0	0	0	0.09	
-10574	H32	SLES	1	40.1541	55.5633	19.0853	HAL2	10572	0	0	0	0.09	
-10575	C4	SLES	1	39.7228	55.4064	21.2463	CTL2	10572	10576	10577	10578	-0.18	
-10576	H41	SLES	1	39.3208	54.5297	21.7959	HAL2	10575	0	0	0	0.09	
-10577	H42	SLES	1	39.2785	56.3226	21.6913	HAL2	10575	0	0	0	0.09	
-10578	C5	SLES	1	41.3067	55.4565	21.4303	CTL2	10575	10579	10580	10581	-0.18	
-10579	H51	SLES	1	41.7921	55.0846	20.5011	HAL2	10578	0	0	0	0.09	
-10580	H52	SLES	1	41.6208	56.5147	21.5805	HAL2	10578	0	0	0	0.09	
-10581	C6	SLES	1	41.8106	54.5947	22.6487	CTL2	10578	10582	10583	10584	-0.18	
-10582	H61	SLES	1	41.7173	53.5154	22.3928	HAL2	10581	0	0	0	0.09	
-10583	H62	SLES	1	42.8897	54.8133	22.825	HAL2	10581	0	0	0	0.09	
-10584	C7	SLES	1	41.0136	54.8777	23.9613	CTL2	10581	10585	10586	10587	-0.18	
-10585	H71	SLES	1	40.0607	54.3039	23.938	HAL2	10584	0	0	0	0.09	
-10586	H72	SLES	1	40.7614	55.9606	24.0076	HAL2	10584	0	0	0	0.09	
-10587	C8	SLES	1	41.8043	54.4885	25.2352	CTL2	10584	10588	10589	10590	-0.18	
-10588	H81	SLES	1	42.2506	53.4777	25.0922	HAL2	10587	0	0	0	0.09	
-10589	H82	SLES	1	42.6362	55.2143	25.383	HAL2	10587	0	0	0	0.09	
-10590	C9	SLES	1	40.9138	54.474	26.503	CTL2	10587	10591	10592	10593	-0.18	
-10591	H91	SLES	1	40.0657	53.7702	26.3428	HAL2	10590	0	0	0	0.09	
-10592	H92	SLES	1	40.4906	55.4916	26.6608	HAL2	10590	0	0	0	0.09	
-10593	C10	SLES	1	41.69	54.0478	27.7716	CTL2	10590	10594	10595	10596	-0.18	
-10594	H10	SLES	1	42.0937	53.0204	27.6229	HAL2	10593	0	0	0	0.09	
-10595	H10	SLES	1	42.5513	54.7379	27.9199	HAL2	10593	0	0	0	0.09	
-10596	C11	SLES	1	40.8027	54.064	29.0445	CTL2	10593	10597	10598	10599	-0.18	
-10597	H11	SLES	1	39.9464	53.3673	28.8939	HAL2	10596	0	0	0	0.09	
-10598	H11	SLES	1	40.3868	55.0887	29.1788	HAL2	10596	0	0	0	0.09	
-10599	C12	SLES	1	41.5565	53.6572	30.337	CTL3	10596	10600	10601	10602	-0.27	
-10600	H12	SLES	1	41.0793	52.7644	30.7981	HAL3	10599	0	0	0	0.09	
-10601	H12	SLES	1	41.5368	54.49	31.0743	HAL3	10599	0	0	0	0.09	
-10602	H12	SLES	1	42.6164	53.4132	30.1065	HAL3	10599	0	0	0	0.09	
-10603	NA	SLES	1	30.7362	46.6805	8.66192	NA	0	0	0	0	1	
-10604	S	SLES	1	32.8317	49.6329	9.1543	SL	10605	10606	10607	10608	1.33	
-10605	OS1	SLES	1	32.4957	48.5015	10.3435	OSL	10604	10609	0	0	-0.28	
-10606	OS2	SLES	1	33.4476	48.9074	8.06265	O2L	10604	0	0	0	-0.65	
-10607	OS3	SLES	1	31.5531	50.1654	8.73206	O2L	10604	0	0	0	-0.65	
-10608	OS4	SLES	1	33.7019	50.7166	9.58209	O2L	10604	0	0	0	-0.65	
-10609	C2	SLES	1	33.3359	48.7537	11.548	CC32A	10605	10610	10611	10612	-0.11	
-10610	H2A	SLES	1	34.4277	48.769	11.2744	HCA2	10609	0	0	0	0.09	
-10611	H2B	SLES	1	33.0536	49.7548	11.9772	HCA2	10609	0	0	0	0.09	
-10612	C1	SLES	1	33.0666	47.605	12.6317	CC32A	10609	10613	10614	10615	-0.01	
-10613	H1B	SLES	1	33.2613	46.605	12.1804	HCA2	10612	0	0	0	0.09	
-10614	H1A	SLES	1	32.0056	47.6455	12.9719	HCA2	10612	0	0	0	0.09	
-10615	O1	SLES	1	33.8505	47.5663	13.8815	OC30A	10612	10616	0	0	-0.34	
-10616	C2	SLES	1	34.536	48.7812	14.2514	CC32A	10615	10617	10618	10619	-0.01	
-10617	H2A	SLES	1	35.2169	48.927	13.39	HCA2	10616	0	0	0	0.09	
-10618	H2B	SLES	1	33.7234	49.5404	14.1988	HCA2	10616	0	0	0	0.09	
-10619	C1	SLES	1	35.3342	48.9589	15.5812	CC32A	10616	10620	10621	10622	-0.01	
-10620	H1B	SLES	1	36.3967	48.6728	15.422	HCA2	10619	0	0	0	0.09	
-10621	H1A	SLES	1	35.2955	50.0222	15.8919	HCA2	10619	0	0	0	0.09	
-10622	O1	SLES	1	35.0472	48.198	16.7983	OC30A	10619	10623	0	0	-0.34	
-10623	C1	SLES	1	35.3568	48.898	18.0586	CTL2	10622	10624	10625	10626	-0.18	
-10624	H11	SLES	1	35.9296	49.8054	17.7951	HAL2	10623	0	0	0	0.09	
-10625	H12	SLES	1	34.3432	49.2014	18.3929	HAL2	10623	0	0	0	0.09	
-10626	C2	SLES	1	36.0949	48.1243	19.2217	CTL2	10623	10627	10628	10629	-0.18	
-10627	H21	SLES	1	36.3267	47.0901	18.882	HAL2	10626	0	0	0	0.09	
-10628	H22	SLES	1	35.4133	48.0523	20.0974	HAL2	10626	0	0	0	0.09	
-10629	C3	SLES	1	37.457	48.8454	19.6726	CTL2	10626	10630	10631	10632	-0.18	
-10630	H31	SLES	1	38.3201	48.2821	19.2528	HAL2	10629	0	0	0	0.09	
-10631	H32	SLES	1	37.4811	49.8692	19.249	HAL2	10629	0	0	0	0.09	
-10632	C4	SLES	1	37.6188	48.9359	21.2466	CTL2	10629	10633	10634	10635	-0.18	
-10633	H41	SLES	1	38.3284	48.1506	21.581	HAL2	10632	0	0	0	0.09	
-10634	H42	SLES	1	36.6365	48.7366	21.7265	HAL2	10632	0	0	0	0.09	
-10635	C5	SLES	1	38.1514	50.3604	21.7285	CTL2	10632	10636	10637	10638	-0.18	
-10636	H51	SLES	1	38.6088	50.8888	20.8631	HAL2	10635	0	0	0	0.09	
-10637	H52	SLES	1	37.2886	50.9688	22.0838	HAL2	10635	0	0	0	0.09	
-10638	C6	SLES	1	39.2167	50.2583	22.8844	CTL2	10635	10639	10640	10641	-0.18	
-10639	H61	SLES	1	40.1712	49.8686	22.4647	HAL2	10638	0	0	0	0.09	
-10640	H62	SLES	1	39.4113	51.2793	23.2885	HAL2	10638	0	0	0	0.09	
-10641	C7	SLES	1	38.7565	49.3289	24.0516	CTL2	10638	10642	10643	10644	-0.18	
-10642	H71	SLES	1	38.9482	48.27	23.7693	HAL2	10641	0	0	0	0.09	
-10643	H72	SLES	1	37.6609	49.4508	24.2036	HAL2	10641	0	0	0	0.09	
-10644	C8	SLES	1	39.488	49.6352	25.3822	CTL2	10641	10645	10646	10647	-0.18	
-10645	H81	SLES	1	40.5794	49.7367	25.1829	HAL2	10644	0	0	0	0.09	
-10646	H82	SLES	1	39.1198	50.6064	25.7846	HAL2	10644	0	0	0	0.09	
-10647	C9	SLES	1	39.2684	48.5305	26.4462	CTL2	10644	10648	10649	10650	-0.18	
-10648	H91	SLES	1	39.6094	47.5546	26.0319	HAL2	10647	0	0	0	0.09	
-10649	H92	SLES	1	38.1799	48.449	26.6653	HAL2	10647	0	0	0	0.09	
-10650	C10	SLES	1	40.0287	48.8123	27.7637	CTL2	10647	10651	10652	10653	-0.18	
-10651	H10	SLES	1	41.1201	48.8706	27.5484	HAL2	10650	0	0	0	0.09	
-10652	H10	SLES	1	39.7044	49.7983	28.1669	HAL2	10650	0	0	0	0.09	
-10653	C11	SLES	1	39.782	47.7197	28.8375	CTL2	10650	10654	10655	10656	-0.18	
-10654	H11	SLES	1	40.1142	46.7366	28.432	HAL2	10653	0	0	0	0.09	
-10655	H11	SLES	1	38.6879	47.6526	29.0362	HAL2	10653	0	0	0	0.09	
-10656	C12	SLES	1	40.518	47.9822	30.1768	CTL3	10653	10657	10658	10659	-0.27	
-10657	H12	SLES	1	41.2097	47.1425	30.4088	HAL3	10656	0	0	0	0.09	
-10658	H12	SLES	1	39.7851	48.0775	31.0083	HAL3	10656	0	0	0	0.09	
-10659	H12	SLES	1	41.109	48.9218	30.1161	HAL3	10656	0	0	0	0.09	
-10660	NA	SLES	1	36.8412	36.9956	8.07351	NA	0	0	0	0	1	
-10661	S	SLES	1	34.9822	39.8671	9.35771	SL	10662	10663	10664	10665	1.33	
-10662	OS1	SLES	1	36.1192	39.0056	10.2365	OSL	10661	10666	0	0	-0.28	
-10663	OS2	SLES	1	35.6625	40.3528	8.17498	O2L	10661	0	0	0	-0.65	
-10664	OS3	SLES	1	33.9585	38.915	8.98073	O2L	10661	0	0	0	-0.65	
-10665	OS4	SLES	1	34.3822	40.98	10.076	O2L	10661	0	0	0	-0.65	
-10666	C2	SLES	1	36.4143	39.7012	11.5207	CC32A	10662	10667	10668	10669	-0.11	
-10667	H2A	SLES	1	36.74	40.7621	11.332	HCA2	10666	0	0	0	0.09	
-10668	H2B	SLES	1	35.4776	39.7129	12.1441	HCA2	10666	0	0	0	0.09	
-10669	C1	SLES	1	37.5713	38.9111	12.2975	CC32A	10666	10670	10671	10672	-0.01	
-10670	H1B	SLES	1	38.4715	38.8213	11.647	HCA2	10669	0	0	0	0.09	
-10671	H1A	SLES	1	37.218	37.8882	12.5657	HCA2	10669	0	0	0	0.09	
-10672	O1	SLES	1	38.1207	39.4503	13.5566	OC30A	10669	10673	0	0	-0.34	
-10673	C2	SLES	1	37.3238	40.4434	14.2357	CC32A	10672	10674	10675	10676	-0.01	
-10674	H2A	SLES	1	37.2732	41.249	13.4772	HCA2	10673	0	0	0	0.09	
-10675	H2B	SLES	1	36.3286	39.9487	14.3005	HCA2	10673	0	0	0	0.09	
-10676	C1	SLES	1	37.6954	41.0572	15.6222	CC32A	10673	10677	10678	10679	-0.01	
-10677	H1B	SLES	1	38.3077	41.9734	15.4749	HCA2	10676	0	0	0	0.09	
-10678	H1A	SLES	1	36.7668	41.3335	16.1608	HCA2	10676	0	0	0	0.09	
-10679	O1	SLES	1	38.5163	40.3616	16.6148	OC30A	10676	10680	0	0	-0.34	
-10680	C1	SLES	1	38.2221	40.7053	18.0181	CTL2	10679	10681	10682	10683	-0.18	
-10681	H11	SLES	1	37.5477	41.5806	18.0048	HAL2	10680	0	0	0	0.09	
-10682	H12	SLES	1	37.6442	39.8156	18.343	HAL2	10680	0	0	0	0.09	
-10683	C2	SLES	1	39.4115	40.9678	19.0246	CTL2	10680	10684	10685	10686	-0.18	
-10684	H21	SLES	1	40.3771	40.8852	18.4773	HAL2	10683	0	0	0	0.09	
-10685	H22	SLES	1	39.3969	40.1843	19.8135	HAL2	10683	0	0	0	0.09	
-10686	C3	SLES	1	39.3235	42.414	19.717	CTL2	10683	10687	10688	10689	-0.18	
-10687	H31	SLES	1	40.0694	43.0885	19.2405	HAL2	10686	0	0	0	0.09	
-10688	H32	SLES	1	38.3164	42.84	19.5371	HAL2	10686	0	0	0	0.09	
-10689	C4	SLES	1	39.5927	42.371	21.2783	CTL2	10686	10690	10691	10692	-0.18	
-10690	H41	SLES	1	40.6277	42.721	21.4746	HAL2	10689	0	0	0	0.09	
-10691	H42	SLES	1	39.5132	41.3211	21.6336	HAL2	10689	0	0	0	0.09	
-10692	C5	SLES	1	38.5702	43.2761	22.1031	CTL2	10689	10693	10694	10695	-0.18	
-10693	H51	SLES	1	38.0888	44.0024	21.4116	HAL2	10692	0	0	0	0.09	
-10694	H52	SLES	1	37.7711	42.626	22.527	HAL2	10692	0	0	0	0.09	
-10695	C6	SLES	1	39.2609	44.0695	23.2756	CTL2	10692	10696	10697	10698	-0.18	
-10696	H61	SLES	1	39.8806	44.8875	22.8444	HAL2	10695	0	0	0	0.09	
-10697	H62	SLES	1	38.472	44.5356	23.9112	HAL2	10695	0	0	0	0.09	
-10698	C7	SLES	1	40.1645	43.1632	24.17	CTL2	10695	10699	10700	10701	-0.18	
-10699	H71	SLES	1	41.1492	43.0269	23.6704	HAL2	10698	0	0	0	0.09	
-10700	H72	SLES	1	39.6892	42.1621	24.2712	HAL2	10698	0	0	0	0.09	
-10701	C8	SLES	1	40.3947	43.7578	25.5817	CTL2	10698	10702	10703	10704	-0.18	
-10702	H81	SLES	1	40.6553	44.8367	25.4845	HAL2	10701	0	0	0	0.09	
-10703	H82	SLES	1	39.4497	43.6833	26.1665	HAL2	10701	0	0	0	0.09	
-10704	C9	SLES	1	41.5255	43.0315	26.3526	CTL2	10701	10705	10706	10707	-0.18	
-10705	H91	SLES	1	42.4631	43.0808	25.7534	HAL2	10704	0	0	0	0.09	
-10706	H92	SLES	1	41.2514	41.9593	26.4737	HAL2	10704	0	0	0	0.09	
-10707	C10	SLES	1	41.7861	43.6466	27.748	CTL2	10704	10708	10709	10710	-0.18	
-10708	H10	SLES	1	42.0831	44.7132	27.6255	HAL2	10707	0	0	0	0.09	
-10709	H10	SLES	1	40.8433	43.6179	28.3398	HAL2	10707	0	0	0	0.09	
-10710	C11	SLES	1	42.898	42.8977	28.5293	CTL2	10707	10711	10712	10713	-0.18	
-10711	H11	SLES	1	43.8405	42.9351	27.9365	HAL2	10710	0	0	0	0.09	
-10712	H11	SLES	1	42.6049	41.828	28.6335	HAL2	10710	0	0	0	0.09	
-10713	C12	SLES	1	43.1715	43.4805	29.9399	CTL3	10710	10714	10715	10716	-0.27	
-10714	H12	SLES	1	44.2306	43.8102	30.0233	HAL3	10713	0	0	0	0.09	
-10715	H12	SLES	1	42.9773	42.7117	30.7202	HAL3	10713	0	0	0	0.09	
-10716	H12	SLES	1	42.5121	44.3547	30.1322	HAL3	10713	0	0	0	0.09	
-10717	NA	SLES	1	45.9462	33.6771	7.51568	NA	0	0	0	0	1	
-10718	S	SLES	1	42.999	32.9374	9.54471	SL	10719	10720	10721	10722	1.33	
-10719	OS1	SLES	1	44.3783	33.6951	10.1197	OSL	10718	10723	0	0	-0.28	
-10720	OS2	SLES	1	42.5123	33.7511	8.44993	O2L	10718	0	0	0	-0.65	
-10721	OS3	SLES	1	43.4263	31.6467	9.04664	O2L	10718	0	0	0	-0.65	
-10722	OS4	SLES	1	41.9498	32.7624	10.5362	O2L	10718	0	0	0	-0.65	
-10723	C2	SLES	1	44.148	34.2088	11.4993	CC32A	10719	10724	10725	10726	-0.11	
-10724	H2A	SLES	1	43.25	34.887	11.5258	HCA2	10723	0	0	0	0.09	
-10725	H2B	SLES	1	43.9631	33.3325	12.1805	HCA2	10723	0	0	0	0.09	
-10726	C1	SLES	1	45.4453	35.0108	11.9895	CC32A	10723	10727	10728	10729	-0.01	
-10727	H1B	SLES	1	45.6824	35.8256	11.2675	HCA2	10726	0	0	0	0.09	
-10728	H1A	SLES	1	46.3179	34.3195	12.0508	HCA2	10726	0	0	0	0.09	
-10729	O1	SLES	1	45.4384	35.7078	13.2903	OC30A	10726	10730	0	0	-0.34	
-10730	C2	SLES	1	44.4215	35.3065	14.2323	CC32A	10729	10731	10732	10733	-0.01	
-10731	H2A	SLES	1	43.4933	35.5459	13.6776	HCA2	10730	0	0	0	0.09	
-10732	H2B	SLES	1	44.5462	34.2006	14.2629	HCA2	10730	0	0	0	0.09	
-10733	C1	SLES	1	44.3159	35.8625	15.6873	CC32A	10730	10734	10735	10736	-0.01	
-10734	H1B	SLES	1	43.6574	36.7582	15.6997	HCA2	10733	0	0	0	0.09	
-10735	H1A	SLES	1	43.8731	35.0871	16.3441	HCA2	10733	0	0	0	0.09	
-10736	O1	SLES	1	45.4628	36.3818	16.4342	OC30A	10733	10737	0	0	-0.34	
-10737	C1	SLES	1	45.3789	36.2196	17.8973	CTL2	10736	10738	10739	10740	-0.18	
-10738	H11	SLES	1	44.3486	35.8953	18.1307	HAL2	10737	0	0	0	0.09	
-10739	H12	SLES	1	46.0668	35.3644	18.0607	HAL2	10737	0	0	0	0.09	
-10740	C2	SLES	1	45.7835	37.4201	18.8415	CTL2	10737	10741	10742	10743	-0.18	
-10741	H21	SLES	1	46.0607	38.2981	18.2163	HAL2	10740	0	0	0	0.09	
-10742	H22	SLES	1	46.6766	37.1272	19.4359	HAL2	10740	0	0	0	0.09	
-10743	C3	SLES	1	44.6003	37.8416	19.8419	CTL2	10740	10744	10745	10746	-0.18	
-10744	H31	SLES	1	44.13	38.7792	19.4705	HAL2	10743	0	0	0	0.09	
-10745	H32	SLES	1	43.8257	37.0489	19.8397	HAL2	10743	0	0	0	0.09	
-10746	C4	SLES	1	45.0981	38.0703	21.3292	CTL2	10743	10747	10748	10749	-0.18	
-10747	H41	SLES	1	45.1801	39.1612	21.5172	HAL2	10746	0	0	0	0.09	
-10748	H42	SLES	1	46.1095	37.6254	21.448	HAL2	10746	0	0	0	0.09	
-10749	C5	SLES	1	44.1183	37.4261	22.4109	CTL2	10746	10750	10751	10752	-0.18	
-10750	H51	SLES	1	43.1304	37.2339	21.937	HAL2	10749	0	0	0	0.09	
-10751	H52	SLES	1	44.5358	36.4474	22.7409	HAL2	10749	0	0	0	0.09	
-10752	C6	SLES	1	43.9082	38.3451	23.6729	CTL2	10749	10753	10754	10755	-0.18	
-10753	H61	SLES	1	43.2749	39.2147	23.387	HAL2	10752	0	0	0	0.09	
-10754	H62	SLES	1	43.3634	37.7666	24.4553	HAL2	10752	0	0	0	0.09	
-10755	C7	SLES	1	45.2521	38.8684	24.2713	CTL2	10752	10756	10757	10758	-0.18	
-10756	H71	SLES	1	45.5958	39.7452	23.679	HAL2	10755	0	0	0	0.09	
-10757	H72	SLES	1	46.0239	38.0715	24.1846	HAL2	10755	0	0	0	0.09	
-10758	C8	SLES	1	45.1214	39.2852	25.7574	CTL2	10755	10759	10760	10761	-0.18	
-10759	H81	SLES	1	44.2062	39.9083	25.8819	HAL2	10758	0	0	0	0.09	
-10760	H82	SLES	1	45.0029	38.371	26.3827	HAL2	10758	0	0	0	0.09	
-10761	C9	SLES	1	46.3503	40.0851	26.258	CTL2	10758	10762	10763	10764	-0.18	
-10762	H91	SLES	1	46.4856	40.9834	25.6138	HAL2	10761	0	0	0	0.09	
-10763	H92	SLES	1	47.2603	39.4515	26.1594	HAL2	10761	0	0	0	0.09	
-10764	C10	SLES	1	46.2074	40.5375	27.7305	CTL2	10761	10765	10766	10767	-0.18	
-10765	H10	SLES	1	45.31	41.1906	27.8248	HAL2	10764	0	0	0	0.09	
-10766	H10	SLES	1	46.0498	39.6415	28.3726	HAL2	10764	0	0	0	0.09	
-10767	C11	SLES	1	47.4529	41.3117	28.2377	CTL2	10764	10768	10769	10770	-0.18	
-10768	H11	SLES	1	47.6023	42.2106	27.5966	HAL2	10767	0	0	0	0.09	
-10769	H11	SLES	1	48.3502	40.6613	28.1246	HAL2	10767	0	0	0	0.09	
-10770	C12	SLES	1	47.3474	41.765	29.7169	CTL3	10767	10771	10772	10773	-0.27	
-10771	H12	SLES	1	47.4296	42.8719	29.7888	HAL3	10770	0	0	0	0.09	
-10772	H12	SLES	1	48.1636	41.3092	30.3199	HAL3	10770	0	0	0	0.09	
-10773	H12	SLES	1	46.3715	41.4533	30.1487	HAL3	10770	0	0	0	0.09	
-10774	NA	SLES	1	53.9083	35.1793	7.2015	NA	0	0	0	0	1	
-10775	S	SLES	1	54.0024	32.4634	9.64386	SL	10776	10777	10778	10779	1.33	
-10776	OS1	SLES	1	53.8729	34.0867	10.0378	OSL	10775	10780	0	0	-0.28	
-10777	OS2	SLES	1	52.8781	32.1611	8.78247	O2L	10775	0	0	0	-0.65	
-10778	OS3	SLES	1	55.2399	32.3257	8.90463	O2L	10775	0	0	0	-0.65	
-10779	OS4	SLES	1	54.0064	31.5643	10.7868	O2L	10775	0	0	0	-0.65	
-10780	C2	SLES	1	53.5885	34.2438	11.492	CC32A	10776	10781	10782	10783	-0.11	
-10781	H2A	SLES	1	52.6688	33.663	11.7818	HCA2	10780	0	0	0	0.09	
-10782	H2B	SLES	1	54.4674	33.8482	12.0727	HCA2	10780	0	0	0	0.09	
-10783	C1	SLES	1	53.3743	35.7961	11.8253	CC32A	10780	10784	10785	10786	-0.01	
-10784	H1B	SLES	1	52.5616	36.2122	11.1866	HCA2	10783	0	0	0	0.09	
-10785	H1A	SLES	1	54.3145	36.3605	11.6239	HCA2	10783	0	0	0	0.09	
-10786	O1	SLES	1	52.9798	36.215	13.1842	OC30A	10783	10787	0	0	-0.34	
-10787	C2	SLES	1	53.1938	35.2576	14.2426	CC32A	10786	10788	10789	10790	-0.01	
-10788	H2A	SLES	1	52.557	34.4129	13.9145	HCA2	10787	0	0	0	0.09	
-10789	H2B	SLES	1	54.262	34.978	14.1003	HCA2	10787	0	0	0	0.09	
-10790	C1	SLES	1	52.9263	35.5552	15.7516	CC32A	10787	10791	10792	10793	-0.01	
-10791	H1B	SLES	1	51.8829	35.272	16.0105	HCA2	10790	0	0	0	0.09	
-10792	H1A	SLES	1	53.6216	34.9547	16.3718	HCA2	10790	0	0	0	0.09	
-10793	O1	SLES	1	52.9727	36.901	16.3256	OC30A	10790	10794	0	0	-0.34	
-10794	C1	SLES	1	53.377	36.9607	17.7423	CTL2	10793	10795	10796	10797	-0.18	
-10795	H11	SLES	1	53.3786	35.924	18.1247	HAL2	10794	0	0	0	0.09	
-10796	H12	SLES	1	54.4268	37.3092	17.6539	HAL2	10794	0	0	0	0.09	
-10797	C2	SLES	1	52.5857	37.8934	18.7425	CTL2	10794	10798	10799	10800	-0.18	
-10798	H21	SLES	1	51.7467	38.3823	18.1987	HAL2	10797	0	0	0	0.09	
-10799	H22	SLES	1	53.2679	38.6917	19.1087	HAL2	10797	0	0	0	0.09	
-10800	C3	SLES	1	51.9962	37.087	19.9998	CTL2	10797	10801	10802	10803	-0.18	
-10801	H31	SLES	1	50.9025	36.9413	19.8549	HAL2	10800	0	0	0	0.09	
-10802	H32	SLES	1	52.4698	36.0859	20.0412	HAL2	10800	0	0	0	0.09	
-10803	C4	SLES	1	52.2378	37.8278	21.3799	CTL2	10800	10804	10805	10806	-0.18	
-10804	H41	SLES	1	51.2944	38.3221	21.6927	HAL2	10803	0	0	0	0.09	
-10805	H42	SLES	1	53.0078	38.6169	21.2406	HAL2	10803	0	0	0	0.09	
-10806	C5	SLES	1	52.7153	36.8358	22.5344	CTL2	10803	10807	10808	10809	-0.18	
-10807	H51	SLES	1	52.4727	35.7912	22.2388	HAL2	10806	0	0	0	0.09	
-10808	H52	SLES	1	53.8213	36.9123	22.6436	HAL2	10806	0	0	0	0.09	
-10809	C6	SLES	1	52.0408	37.1419	23.9245	CTL2	10806	10810	10811	10812	-0.18	
-10810	H61	SLES	1	50.9722	36.8328	23.8852	HAL2	10809	0	0	0	0.09	
-10811	H62	SLES	1	52.5446	36.5351	24.7128	HAL2	10809	0	0	0	0.09	
-10812	C7	SLES	1	52.1203	38.6512	24.3167	CTL2	10809	10813	10814	10815	-0.18	
-10813	H71	SLES	1	51.3109	39.2055	23.7918	HAL2	10812	0	0	0	0.09	
-10814	H72	SLES	1	53.0959	39.0647	23.9769	HAL2	10812	0	0	0	0.09	
-10815	C8	SLES	1	51.979	38.8796	25.8423	CTL2	10812	10816	10817	10818	-0.18	
-10816	H81	SLES	1	51.1234	38.2762	26.2232	HAL2	10815	0	0	0	0.09	
-10817	H82	SLES	1	52.9041	38.5242	26.3506	HAL2	10815	0	0	0	0.09	
-10818	C9	SLES	1	51.7461	40.3694	26.1985	CTL2	10815	10819	10820	10821	-0.18	
-10819	H91	SLES	1	50.8375	40.7321	25.6663	HAL2	10818	0	0	0	0.09	
-10820	H92	SLES	1	52.6146	40.9677	25.8422	HAL2	10818	0	0	0	0.09	
-10821	C10	SLES	1	51.5652	40.5976	27.7179	CTL2	10818	10822	10823	10824	-0.18	
-10822	H10	SLES	1	50.682	40.0173	28.0702	HAL2	10821	0	0	0	0.09	
-10823	H10	SLES	1	52.4638	40.2149	28.2527	HAL2	10821	0	0	0	0.09	
-10824	C11	SLES	1	51.3627	42.0943	28.074	CTL2	10821	10825	10826	10827	-0.18	
-10825	H11	SLES	1	50.459	42.4706	27.5422	HAL2	10824	0	0	0	0.09	
-10826	H11	SLES	1	52.2398	42.6729	27.7039	HAL2	10824	0	0	0	0.09	
-10827	C12	SLES	1	51.1949	42.3582	29.5928	CTL3	10824	10828	10829	10830	-0.27	
-10828	H12	SLES	1	50.2142	42.8428	29.7949	HAL3	10827	0	0	0	0.09	
-10829	H12	SLES	1	52.0035	43.0278	29.9604	HAL3	10827	0	0	0	0.09	
-10830	H12	SLES	1	51.2413	41.4026	30.1592	HAL3	10827	0	0	0	0.09	
-10831	NA	SLES	1	60.1561	39.4262	7.25099	NA	0	0	0	0	1	
-10832	S	SLES	1	62.921	39.1	9.6173	SL	10833	10834	10835	10836	1.33	
-10833	OS1	SLES	1	61.3871	39.6392	10.022	OSL	10832	10837	0	0	-0.28	
-10834	OS2	SLES	1	62.7523	37.7801	9.04559	O2L	10832	0	0	0	-0.65	
-10835	OS3	SLES	1	63.4161	40.0136	8.60894	O2L	10832	0	0	0	-0.65	
-10836	OS4	SLES	1	63.8529	39.0415	10.7321	O2L	10832	0	0	0	-0.65	
-10837	C2	SLES	1	61.2555	39.758	11.5015	CC32A	10833	10838	10839	10840	-0.11	
-10838	H2A	SLES	1	61.507	38.7816	12.0022	HCA2	10837	0	0	0	0.09	
-10839	H2B	SLES	1	61.9718	40.5474	11.8617	HCA2	10837	0	0	0	0.09	
-10840	C1	SLES	1	59.7546	40.1818	11.8675	CC32A	10837	10841	10842	10843	-0.01	
-10841	H1B	SLES	1	59.0371	39.4469	11.4353	HCA2	10840	0	0	0	0.09	
-10842	H1A	SLES	1	59.5322	41.1906	11.4481	HCA2	10840	0	0	0	0.09	
-10843	O1	SLES	1	59.3326	40.271	13.2789	OC30A	10840	10844	0	0	-0.34	
-10844	C2	SLES	1	60.3845	40.3644	14.2625	CC32A	10843	10845	10846	10847	-0.01	
-10845	H2A	SLES	1	60.932	39.4158	14.0976	HCA2	10844	0	0	0	0.09	
-10846	H2B	SLES	1	61.001	41.2065	13.8749	HCA2	10844	0	0	0	0.09	
-10847	C1	SLES	1	60.1313	40.56	15.7905	CC32A	10844	10848	10849	10850	-0.01	
-10848	H1B	SLES	1	60.0595	39.5686	16.2887	HCA2	10847	0	0	0	0.09	
-10849	H1A	SLES	1	60.9798	41.1192	16.2333	HCA2	10847	0	0	0	0.09	
-10850	O1	SLES	1	58.9316	41.2017	16.3305	OC30A	10847	10851	0	0	-0.34	
-10851	C1	SLES	1	59.124	41.9045	17.6123	CTL2	10850	10852	10853	10854	-0.18	
-10852	H11	SLES	1	60.125	41.627	17.9891	HAL2	10851	0	0	0	0.09	
-10853	H12	SLES	1	59.1502	42.9623	17.2781	HAL2	10851	0	0	0	0.09	
-10854	C2	SLES	1	58.0574	41.7337	18.7654	CTL2	10851	10855	10856	10857	-0.18	
-10855	H21	SLES	1	57.2702	41.0214	18.4312	HAL2	10854	0	0	0	0.09	
-10856	H22	SLES	1	57.5718	42.7156	18.9569	HAL2	10854	0	0	0	0.09	
-10857	C3	SLES	1	58.7083	41.193	20.1301	CTL2	10854	10858	10859	10860	-0.18	
-10858	H31	SLES	1	58.459	40.1148	20.2469	HAL2	10857	0	0	0	0.09	
-10859	H32	SLES	1	59.811	41.2817	20.0645	HAL2	10857	0	0	0	0.09	
-10860	C4	SLES	1	58.2043	41.9787	21.411	CTL2	10857	10861	10862	10863	-0.18	
-10861	H41	SLES	1	57.4428	41.3632	21.934	HAL2	10860	0	0	0	0.09	
-10862	H42	SLES	1	57.7182	42.9253	21.0907	HAL2	10860	0	0	0	0.09	
-10863	C5	SLES	1	59.3863	42.3209	22.4264	CTL2	10860	10864	10865	10866	-0.18	
-10864	H51	SLES	1	60.2584	41.6681	22.2015	HAL2	10863	0	0	0	0.09	
-10865	H52	SLES	1	59.7017	43.3782	22.2725	HAL2	10863	0	0	0	0.09	
-10866	C6	SLES	1	58.9766	42.1229	23.9344	CTL2	10863	10867	10868	10869	-0.18	
-10867	H61	SLES	1	58.8972	41.0334	24.1487	HAL2	10866	0	0	0	0.09	
-10868	H62	SLES	1	59.7784	42.543	24.5855	HAL2	10866	0	0	0	0.09	
-10869	C7	SLES	1	57.6209	42.8118	24.289	CTL2	10866	10870	10871	10872	-0.18	
-10870	H71	SLES	1	56.7841	42.1536	23.9659	HAL2	10869	0	0	0	0.09	
-10871	H72	SLES	1	57.5414	43.7692	23.7274	HAL2	10869	0	0	0	0.09	
-10872	C8	SLES	1	57.4771	43.1016	25.8038	CTL2	10869	10873	10874	10875	-0.18	
-10873	H81	SLES	1	57.7788	42.1958	26.3782	HAL2	10872	0	0	0	0.09	
-10874	H82	SLES	1	58.166	43.9312	26.0826	HAL2	10872	0	0	0	0.09	
-10875	C9	SLES	1	56.03	43.4915	26.1969	CTL2	10872	10876	10877	10878	-0.18	
-10876	H91	SLES	1	55.338	42.6742	25.891	HAL2	10875	0	0	0	0.09	
-10877	H92	SLES	1	55.7394	44.4127	25.6435	HAL2	10875	0	0	0	0.09	
-10878	C10	SLES	1	55.8723	43.7438	27.7151	CTL2	10875	10879	10880	10881	-0.18	
-10879	H10	SLES	1	56.1406	42.8147	28.268	HAL2	10878	0	0	0	0.09	
-10880	H10	SLES	1	56.5798	44.5456	28.0259	HAL2	10878	0	0	0	0.09	
-10881	C11	SLES	1	54.4292	44.1638	28.1008	CTL2	10878	10882	10883	10884	-0.18	
-10882	H11	SLES	1	53.7262	43.3558	27.7941	HAL2	10881	0	0	0	0.09	
-10883	H11	SLES	1	54.1589	45.0827	27.532	HAL2	10881	0	0	0	0.09	
-10884	C12	SLES	1	54.2424	44.4403	29.6151	CTL3	10881	10885	10886	10887	-0.27	
-10885	H12	SLES	1	53.4686	43.7631	30.0392	HAL3	10884	0	0	0	0.09	
-10886	H12	SLES	1	53.9207	45.4925	29.7791	HAL3	10884	0	0	0	0.09	
-10887	H12	SLES	1	55.197	44.2728	30.1599	HAL3	10884	0	0	0	0.09	
-10888	NA	SLES	1	53.2832	46.6805	5	NA	0	0	0	0	1	
-10889	S	SLES	1	54.8518	49.6329	6.47419	SL	10890	10891	10892	10893	1.33	
-10890	OS1	SLES	1	53.9662	48.5015	7.33604	OSL	10889	10894	0	0	-0.28	
-10891	OS2	SLES	1	55.9311	48.9074	5.83675	O2L	10889	0	0	0	-0.65	
-10892	OS3	SLES	1	53.9557	50.1654	5.46922	O2L	10889	0	0	0	-0.65	
-10893	OS4	SLES	1	55.3916	50.7166	7.27976	O2L	10889	0	0	0	-0.65	
-10894	C2	SLES	1	54.0916	48.7537	8.79928	CC32A	10890	10895	10896	10897	-0.11	
-10895	H2A	SLES	1	55.1739	48.769	9.10828	HCA2	10894	0	0	0	0.09	
-10896	H2B	SLES	1	53.6325	49.7548	9.02985	HCA2	10894	0	0	0	0.09	
-10897	C1	SLES	1	53.3166	47.605	9.60315	CC32A	10894	10898	10899	10900	-0.01	
-10898	H1B	SLES	1	53.7108	46.605	9.30962	HCA2	10897	0	0	0	0.09	
-10899	H1A	SLES	1	52.2276	47.6455	9.36725	HCA2	10897	0	0	0	0.09	
-10900	O1	SLES	1	53.3705	47.5663	11.0774	OC30A	10897	10901	0	0	-0.34	
-10901	C2	SLES	1	53.7792	48.7812	11.7405	CC32A	10900	10902	10903	10904	-0.01	
-10902	H2A	SLES	1	54.7996	48.927	11.335	HCA2	10901	0	0	0	0.09	
-10903	H2B	SLES	1	53.1018	49.5404	11.2887	HCA2	10901	0	0	0	0.09	
-10904	C1	SLES	1	53.8056	48.9589	13.2913	CC32A	10901	10905	10906	10907	-0.01	
-10905	H1B	SLES	1	54.8053	48.6728	13.6847	HCA2	10904	0	0	0	0.09	
-10906	H1A	SLES	1	53.6167	50.0222	13.541	HCA2	10904	0	0	0	0.09	
-10907	O1	SLES	1	52.9485	48.198	14.2019	OC30A	10904	10908	0	0	-0.34	
-10908	C1	SLES	1	52.5865	48.898	15.4481	CTL2	10907	10909	10910	10911	-0.18	
-10909	H11	SLES	1	53.2143	49.8054	15.5063	HAL2	10908	0	0	0	0.09	
-10910	H12	SLES	1	51.5415	49.2014	15.2308	HAL2	10908	0	0	0	0.09	
-10911	C2	SLES	1	52.6441	48.1243	16.8245	CTL2	10908	10912	10913	10914	-0.18	
-10912	H21	SLES	1	53.0147	47.0901	16.6461	HAL2	10911	0	0	0	0.09	
-10913	H22	SLES	1	51.616	48.0523	17.242	HAL2	10911	0	0	0	0.09	
-10914	C3	SLES	1	53.5983	48.8454	17.8959	CTL2	10911	10915	10916	10917	-0.18	
-10915	H31	SLES	1	54.5556	48.2821	17.9639	HAL2	10914	0	0	0	0.09	
-10916	H32	SLES	1	53.831	49.8692	17.5411	HAL2	10914	0	0	0	0.09	
-10917	C4	SLES	1	52.9514	48.9359	19.34	CTL2	10914	10918	10919	10920	-0.18	
-10918	H41	SLES	1	53.3988	48.1506	19.9844	HAL2	10917	0	0	0	0.09	
-10919	H42	SLES	1	51.8608	48.7366	19.2644	HAL2	10917	0	0	0	0.09	
-10920	C5	SLES	1	53.1717	50.3604	20.0236	CTL2	10917	10921	10922	10923	-0.18	
-10921	H51	SLES	1	54.0005	50.8888	19.5028	HAL2	10920	0	0	0	0.09	
-10922	H52	SLES	1	52.2468	50.9688	19.8999	HAL2	10920	0	0	0	0.09	
-10923	C6	SLES	1	53.5164	50.2583	21.5573	CTL2	10920	10924	10925	10926	-0.18	
-10924	H61	SLES	1	54.5528	49.8686	21.671	HAL2	10923	0	0	0	0.09	
-10925	H62	SLES	1	53.4828	51.2793	22.0046	HAL2	10923	0	0	0	0.09	
-10926	C7	SLES	1	52.5342	49.3289	22.338	CTL2	10923	10927	10928	10929	-0.18	
-10927	H71	SLES	1	52.8414	48.27	22.1894	HAL2	10926	0	0	0	0.09	
-10928	H72	SLES	1	51.5093	49.4508	21.9219	HAL2	10926	0	0	0	0.09	
-10929	C8	SLES	1	52.5023	49.6352	23.8561	CTL2	10926	10930	10931	10932	-0.18	
-10930	H81	SLES	1	53.5472	49.7367	24.2292	HAL2	10929	0	0	0	0.09	
-10931	H82	SLES	1	51.9823	50.6064	24.0205	HAL2	10929	0	0	0	0.09	
-10932	C9	SLES	1	51.7802	48.5305	24.6677	CTL2	10929	10933	10934	10935	-0.18	
-10933	H91	SLES	1	52.2827	47.5546	24.4794	HAL2	10932	0	0	0	0.09	
-10934	H92	SLES	1	50.728	48.449	24.3132	HAL2	10932	0	0	0	0.09	
-10935	C10	SLES	1	51.7799	48.8123	26.1889	CTL2	10932	10936	10937	10938	-0.18	
-10936	H10	SLES	1	52.8327	48.8706	26.5481	HAL2	10935	0	0	0	0.09	
-10937	H10	SLES	1	51.2975	49.7983	26.3759	HAL2	10935	0	0	0	0.09	
-10938	C11	SLES	1	51.0293	47.7197	26.9954	CTL2	10935	10939	10940	10941	-0.18	
-10939	H11	SLES	1	51.5197	46.7366	26.8104	HAL2	10938	0	0	0	0.09	
-10940	H11	SLES	1	49.9825	47.6526	26.6205	HAL2	10938	0	0	0	0.09	
-10941	C12	SLES	1	50.997	47.9822	28.5233	CTL3	10938	10942	10943	10944	-0.27	
-10942	H12	SLES	1	51.4802	47.1425	29.0701	HAL3	10941	0	0	0	0.09	
-10943	H12	SLES	1	49.9467	48.0775	28.877	HAL3	10941	0	0	0	0.09	
-10944	H12	SLES	1	51.5393	48.9218	28.7663	HAL3	10941	0	0	0	0.09	
-10945	NA	SLES	1	44.7478	56.0744	5.50699	NA	0	0	0	0	1	
-10946	S	SLES	1	46.4981	52.9681	6.30528	SL	10947	10948	10949	10950	1.33	
-10947	OS1	SLES	1	45.9702	54.077	7.44491	OSL	10946	10951	0	0	-0.28	
-10948	OS2	SLES	1	45.3266	52.5626	5.55665	O2L	10946	0	0	0	-0.65	
-10949	OS3	SLES	1	47.412	53.684	5.43977	O2L	10946	0	0	0	-0.65	
-10950	OS4	SLES	1	47.1586	51.7988	6.86301	O2L	10946	0	0	0	-0.65	
-10951	C2	SLES	1	46.123	53.5185	8.81791	CC32A	10947	10952	10953	10954	-0.11	
-10952	H2A	SLES	1	45.5879	52.5322	8.90719	HCA2	10951	0	0	0	0.09	
-10953	H2B	SLES	1	47.2185	53.3583	9.01854	HCA2	10951	0	0	0	0.09	
-10954	C1	SLES	1	45.5242	54.5561	9.88154	CC32A	10951	10955	10956	10957	-0.01	
-10955	H1B	SLES	1	44.4625	54.7844	9.63201	HCA2	10954	0	0	0	0.09	
-10956	H1A	SLES	1	46.1107	55.504	9.85846	HCA2	10954	0	0	0	0.09	
-10957	O1	SLES	1	45.4623	54.1987	11.312	OC30A	10954	10958	0	0	-0.34	
-10958	C2	SLES	1	46.3024	53.1067	11.7415	CC32A	10957	10959	10960	10961	-0.01	
-10959	H2A	SLES	1	45.9118	52.2686	11.1318	HCA2	10958	0	0	0	0.09	
-10960	H2B	SLES	1	47.3005	53.4027	11.3469	HCA2	10958	0	0	0	0.09	
-10961	C1	SLES	1	46.441	52.6485	13.2275	CC32A	10958	10962	10963	10964	-0.01	
-10962	H1B	SLES	1	45.6877	51.8614	13.4491	HCA2	10961	0	0	0	0.09	
-10963	H1A	SLES	1	47.4533	52.2263	13.3872	HCA2	10961	0	0	0	0.09	
-10964	O1	SLES	1	46.2181	53.5397	14.3672	OC30A	10961	10965	0	0	-0.34	
-10965	C1	SLES	1	47.0039	53.2184	15.5727	CTL2	10964	10966	10967	10968	-0.18	
-10966	H11	SLES	1	47.4685	52.2299	15.4049	HAL2	10965	0	0	0	0.09	
-10967	H12	SLES	1	47.795	53.9954	15.5295	HAL2	10965	0	0	0	0.09	
-10968	C2	SLES	1	46.3064	53.2427	16.9901	CTL2	10965	10969	10970	10971	-0.18	
-10969	H21	SLES	1	45.2271	53.4818	16.8613	HAL2	10968	0	0	0	0.09	
-10970	H22	SLES	1	46.7647	54.0482	17.6047	HAL2	10968	0	0	0	0.09	
-10971	C3	SLES	1	46.4442	51.8444	17.7675	CTL2	10968	10972	10973	10974	-0.18	
-10972	H31	SLES	1	45.4736	51.3028	17.7116	HAL2	10971	0	0	0	0.09	
-10973	H32	SLES	1	47.2095	51.2232	17.2609	HAL2	10971	0	0	0	0.09	
-10974	C4	SLES	1	46.8486	52.0188	19.29	CTL2	10971	10975	10976	10977	-0.18	
-10975	H41	SLES	1	45.9443	51.8859	19.9198	HAL2	10974	0	0	0	0.09	
-10976	H42	SLES	1	47.229	53.0505	19.4506	HAL2	10974	0	0	0	0.09	
-10977	C5	SLES	1	47.9649	50.9771	19.7524	CTL2	10974	10978	10979	10980	-0.18	
-10978	H51	SLES	1	48.0013	50.1369	19.0242	HAL2	10977	0	0	0	0.09	
-10979	H52	SLES	1	48.958	51.4816	19.7426	HAL2	10977	0	0	0	0.09	
-10980	C6	SLES	1	47.7011	50.3934	21.1915	CTL2	10977	10981	10982	10983	-0.18	
-10981	H61	SLES	1	46.8401	49.6893	21.1452	HAL2	10980	0	0	0	0.09	
-10982	H62	SLES	1	48.5981	49.8172	21.5184	HAL2	10980	0	0	0	0.09	
-10983	C7	SLES	1	47.3963	51.502	22.248	CTL2	10980	10984	10985	10986	-0.18	
-10984	H71	SLES	1	46.3277	51.7999	22.1632	HAL2	10983	0	0	0	0.09	
-10985	H72	SLES	1	48.0207	52.3963	22.0276	HAL2	10983	0	0	0	0.09	
-10986	C8	SLES	1	47.6753	51.0365	23.6988	CTL2	10983	10987	10988	10989	-0.18	
-10987	H81	SLES	1	47.2334	50.0247	23.848	HAL2	10986	0	0	0	0.09	
-10988	H82	SLES	1	48.7759	50.9572	23.8502	HAL2	10986	0	0	0	0.09	
-10989	C9	SLES	1	47.0877	52.0062	24.7547	CTL2	10986	10990	10991	10992	-0.18	
-10990	H91	SLES	1	45.9918	52.108	24.584	HAL2	10989	0	0	0	0.09	
-10991	H92	SLES	1	47.5505	53.0101	24.6227	HAL2	10989	0	0	0	0.09	
-10992	C10	SLES	1	47.3295	51.5257	26.2052	CTL2	10989	10993	10994	10995	-0.18	
-10993	H10	SLES	1	46.8464	50.5316	26.3443	HAL2	10992	0	0	0	0.09	
-10994	H10	SLES	1	48.4239	51.4023	26.3697	HAL2	10992	0	0	0	0.09	
-10995	C11	SLES	1	46.7667	52.5144	27.2604	CTL2	10992	10996	10997	10998	-0.18	
-10996	H11	SLES	1	45.6708	52.6292	27.096	HAL2	10995	0	0	0	0.09	
-10997	H11	SLES	1	47.2392	53.5113	27.1058	HAL2	10995	0	0	0	0.09	
-10998	C12	SLES	1	47.0081	52.0688	28.7258	CTL3	10995	10999	11000	11001	-0.27	
-10999	H12	SLES	1	46.039	51.9545	29.2598	HAL3	10998	0	0	0	0.09	
-11000	H12	SLES	1	47.6219	52.8248	29.2636	HAL3	10998	0	0	0	0.09	
-11001	H12	SLES	1	47.5436	51.0948	28.7511	HAL3	10998	0	0	0	0.09	
-11002	NA	SLES	1	48.5149	43.8115	5.01317	NA	0	0	0	0	1	
-11003	S	SLES	1	45.1735	44.0034	6.47893	SL	11004	11005	11006	11007	1.33	
-11004	OS1	SLES	1	46.5968	44.0113	7.36277	OSL	11003	11008	0	0	-0.28	
-11005	OS2	SLES	1	45.2532	45.125	5.56627	O2L	11003	0	0	0	-0.65	
-11006	OS3	SLES	1	45.1689	42.7618	5.7338	O2L	11003	0	0	0	-0.65	
-11007	OS4	SLES	1	43.965	44.1029	7.28165	O2L	11003	0	0	0	-0.65	
-11008	C2	SLES	1	46.3147	44.3209	8.79278	CC32A	11004	11009	11010	11011	-0.11	
-11009	H2A	SLES	1	45.7531	45.2921	8.88552	HCA2	11008	0	0	0	0.09	
-11010	H2B	SLES	1	45.6837	43.4928	9.21974	HCA2	11008	0	0	0	0.09	
-11011	C1	SLES	1	47.697	44.4173	9.59671	CC32A	11008	11012	11013	11014	-0.01	
-11012	H1B	SLES	1	48.3599	45.1762	9.12111	HCA2	11011	0	0	0	0.09	
-11013	H1A	SLES	1	48.2136	43.4294	9.58279	HCA2	11011	0	0	0	0.09	
-11014	O1	SLES	1	47.7018	44.8128	11.0185	OC30A	11011	11015	0	0	-0.34	
-11015	C2	SLES	1	46.4467	44.7055	11.7226	CC32A	11014	11016	11017	11018	-0.01	
-11016	H2A	SLES	1	45.8046	45.3998	11.1459	HCA2	11015	0	0	0	0.09	
-11017	H2B	SLES	1	46.1354	43.6601	11.4996	HCA2	11015	0	0	0	0.09	
-11018	C1	SLES	1	46.2788	44.9883	13.2487	CC32A	11015	11019	11020	11021	-0.01	
-11019	H1B	SLES	1	46.0189	46.0579	13.4056	HCA2	11018	0	0	0	0.09	
-11020	H1A	SLES	1	45.4573	44.3609	13.6489	HCA2	11018	0	0	0	0.09	
-11021	O1	SLES	1	47.3682	44.8483	14.2164	OC30A	11018	11022	0	0	-0.34	
-11022	C1	SLES	1	46.9468	44.4786	15.5801	CTL2	11021	11023	11024	11025	-0.18	
-11023	H11	SLES	1	45.8463	44.5712	15.6176	HAL2	11022	0	0	0	0.09	
-11024	H12	SLES	1	47.2144	43.402	15.6056	HAL2	11022	0	0	0	0.09	
-11025	C2	SLES	1	47.5837	45.2181	16.8227	CTL2	11022	11026	11027	11028	-0.18	
-11026	H21	SLES	1	48.288	45.9999	16.46	HAL2	11025	0	0	0	0.09	
-11027	H22	SLES	1	48.1659	44.4835	17.421	HAL2	11025	0	0	0	0.09	
-11028	C3	SLES	1	46.4777	45.9045	17.7631	CTL2	11025	11029	11030	11031	-0.18	
-11029	H31	SLES	1	46.4787	47.0022	17.5798	HAL2	11028	0	0	0	0.09	
-11030	H32	SLES	1	45.4774	45.515	17.4879	HAL2	11028	0	0	0	0.09	
-11031	C4	SLES	1	46.726	45.6407	19.306	CTL2	11028	11032	11033	11034	-0.18	
-11032	H41	SLES	1	47.1762	46.5489	19.7583	HAL2	11031	0	0	0	0.09	
-11033	H42	SLES	1	47.4503	44.8058	19.4216	HAL2	11031	0	0	0	0.09	
-11034	C5	SLES	1	45.3856	45.2763	20.0905	CTL2	11031	11035	11036	11037	-0.18	
-11035	H51	SLES	1	44.5107	45.5948	19.4818	HAL2	11034	0	0	0	0.09	
-11036	H52	SLES	1	45.3293	44.171	20.2182	HAL2	11034	0	0	0	0.09	
-11037	C6	SLES	1	45.2978	45.9607	21.5065	CTL2	11034	11038	11039	11040	-0.18	
-11038	H61	SLES	1	45.1089	47.0494	21.3721	HAL2	11037	0	0	0	0.09	
-11039	H62	SLES	1	44.434	45.529	22.0643	HAL2	11037	0	0	0	0.09	
-11040	C7	SLES	1	46.5959	45.7696	22.3529	CTL2	11037	11041	11042	11043	-0.18	
-11041	H71	SLES	1	47.3536	46.517	22.0287	HAL2	11040	0	0	0	0.09	
-11042	H72	SLES	1	47.0101	44.7549	22.1601	HAL2	11040	0	0	0	0.09	
-11043	C8	SLES	1	46.3466	45.9327	23.873	CTL2	11040	11044	11045	11046	-0.18	
-11044	H81	SLES	1	45.7297	46.8443	24.0452	HAL2	11043	0	0	0	0.09	
-11045	H82	SLES	1	45.7724	45.0533	24.2439	HAL2	11043	0	0	0	0.09	
-11046	C9	SLES	1	47.6642	46.0535	24.6791	CTL2	11043	11047	11048	11049	-0.18	
-11047	H91	SLES	1	48.2515	46.9151	24.2878	HAL2	11046	0	0	0	0.09	
-11048	H92	SLES	1	48.2676	45.13	24.5287	HAL2	11046	0	0	0	0.09	
-11049	C10	SLES	1	47.4201	46.2559	26.1933	CTL2	11046	11050	11051	11052	-0.18	
-11050	H10	SLES	1	46.8364	47.1923	26.3456	HAL2	11049	0	0	0	0.09	
-11051	H10	SLES	1	46.814	45.4059	26.5807	HAL2	11049	0	0	0	0.09	
-11052	C11	SLES	1	48.7417	46.3457	27.0015	CTL2	11049	11053	11054	11055	-0.18	
-11053	H11	SLES	1	49.3412	47.2014	26.6148	HAL2	11052	0	0	0	0.09	
-11054	H11	SLES	1	49.3299	45.4151	26.8317	HAL2	11052	0	0	0	0.09	
-11055	C12	SLES	1	48.5304	46.5323	28.5263	CTL3	11052	11056	11057	11058	-0.27	
-11056	H12	SLES	1	49.0093	47.4754	28.8704	HAL3	11055	0	0	0	0.09	
-11057	H12	SLES	1	48.9797	45.6821	29.0856	HAL3	11055	0	0	0	0.09	
-11058	H12	SLES	1	47.4453	46.5786	28.7639	HAL3	11055	0	0	0	0.09	
Index: tests/regression/Filling/RegularGrid/pre/tensid.potentials
===================================================================
--- tests/regression/Filling/RegularGrid/pre/tensid.potentials	(revision 4a4f3d8ce22775957b51c385fd5f8d8a6fb427cc)
+++ 	(revision )
@@ -1,1546 +1,0 @@
-particles	{
-	particle:	particle_type=OW,	element_name=O,	sigma=3.1506,	epsilon=0.1521,	sigma14=3.1506,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=-0.834;
-	particle:	particle_type=HW,	element_name=H,	sigma=0.4,	epsilon=0.046,	sigma14=0.4,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0.417;
-	particle:	particle_type=Na,	element_name=Na,	sigma=2.22,	epsilon=0.9999999,	sigma14=2.22,	epsilon14=0.9999999,	mass=22.98977,	free=3,	charge=0.9999995;
-	particle:	particle_type=Cl,	element_name=Cl,	sigma=3.88,	epsilon=0.9999999,	sigma14=3.88,	epsilon14=0.9999999,	mass=35.45271,	free=3,	charge=-0.9999995;
-	particle:	particle_type=CC30A,	element_name=C,	sigma=4,	epsilon=0.032,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CEL2,	element_name=C,	sigma=4.16,	epsilon=0.064,	sigma14=4.16,	epsilon14=0.064,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CTL3,	element_name=C,	sigma=4.08,	epsilon=0.078,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=OBL,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=2.8,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=HT,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HCA25A,	element_name=H,	sigma=2.6,	epsilon=0.035,	sigma14=2.6,	epsilon14=0.035,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=NTL,	element_name=N,	sigma=3.7,	epsilon=0.2,	sigma14=3.7,	epsilon14=0.2,	mass=14.007,	free=3,	charge=0;
-	particle:	particle_type=HOL,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=CC326A,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CC33A,	element_name=C,	sigma=4.08,	epsilon=0.078,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=NE,	element_name=Ne,	sigma=3.06,	epsilon=0.086,	sigma14=3.06,	epsilon14=0.086,	mass=20.1797,	free=3,	charge=0;
-	particle:	particle_type=CLA,	element_name=Cl,	sigma=4.54,	epsilon=0.15,	sigma14=4.54,	epsilon14=0.15,	mass=35.45,	free=3,	charge=0;
-	particle:	particle_type=DUM,	element_name=H,	sigma=0,	epsilon=0,	sigma14=0,	epsilon14=0,	mass=0,	free=3,	charge=0;
-	particle:	particle_type=NA,	element_name=Na,	sigma=2.7275,	epsilon=0.0469,	sigma14=2.7275,	epsilon14=0.0469,	mass=22.98977,	free=3,	charge=0;
-	particle:	particle_type=CC32A,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=O2L,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=3.4,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=CC31A,	element_name=C,	sigma=4,	epsilon=0.032,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=OSL,	element_name=O,	sigma=3.54,	epsilon=0.1521,	sigma14=3.54,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=CTL5,	element_name=C,	sigma=4.12,	epsilon=0.08,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=HEL1,	element_name=H,	sigma=2.5,	epsilon=0.031,	sigma14=2.5,	epsilon14=0.031,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=SL,	element_name=S,	sigma=4.2,	epsilon=0.47,	sigma14=4.2,	epsilon14=0.47,	mass=32.06,	free=3,	charge=0;
-	particle:	particle_type=OT,	element_name=O,	sigma=3.5364,	epsilon=0.1521,	sigma14=3.5364,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=HAL1,	element_name=H,	sigma=2.64,	epsilon=0.022,	sigma14=2.64,	epsilon14=0.022,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HEL2,	element_name=H,	sigma=2.52,	epsilon=0.026,	sigma14=2.52,	epsilon14=0.026,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HE,	element_name=H,	sigma=2.96,	epsilon=0.02127,	sigma14=2.96,	epsilon14=0.02127,	mass=4.0026,	free=3,	charge=0;
-	particle:	particle_type=HCA3,	element_name=H,	sigma=2.68,	epsilon=0.024,	sigma14=2.68,	epsilon14=0.024,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=OHL,	element_name=O,	sigma=3.54,	epsilon=0.1521,	sigma14=3.54,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=OC305A,	element_name=O,	sigma=3.3,	epsilon=0.1,	sigma14=3.3,	epsilon14=0.1,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=CC325B,	element_name=C,	sigma=4.04,	epsilon=0.06,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=NH3L,	element_name=N,	sigma=3.7,	epsilon=0.2,	sigma14=3.7,	epsilon14=0.2,	mass=14.007,	free=3,	charge=0;
-	particle:	particle_type=HL,	element_name=H,	sigma=1.4,	epsilon=0.046,	sigma14=1.4,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=CEL1,	element_name=C,	sigma=4.18,	epsilon=0.068,	sigma14=4.18,	epsilon14=0.068,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CTL1,	element_name=C,	sigma=4.55,	epsilon=0.02,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=HAL2,	element_name=H,	sigma=2.68,	epsilon=0.028,	sigma14=2.68,	epsilon14=0.028,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=OCL,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=3.4,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=MG,	element_name=Mg,	sigma=2.37,	epsilon=0.015,	sigma14=2.37,	epsilon14=0.015,	mass=24.305,	free=3,	charge=0;
-	particle:	particle_type=OC30A,	element_name=O,	sigma=3.3,	epsilon=0.1,	sigma14=3.3,	epsilon14=0.1,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=HAL3,	element_name=H,	sigma=2.68,	epsilon=0.024,	sigma14=2.68,	epsilon14=0.024,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HCA2,	element_name=H,	sigma=2.68,	epsilon=0.035,	sigma14=2.68,	epsilon14=0.035,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=PL,	element_name=P,	sigma=4.3,	epsilon=0.585,	sigma14=4.3,	epsilon14=0.585,	mass=30.974,	free=3,	charge=0;
-	particle:	particle_type=HCA1,	element_name=H,	sigma=2.68,	epsilon=0.045,	sigma14=2.68,	epsilon14=0.045,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HCL,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=CC325A,	element_name=C,	sigma=4.04,	epsilon=0.06,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CTL2,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=POT,	element_name=K,	sigma=3.5275,	epsilon=0.087,	sigma14=3.5275,	epsilon14=0.087,	mass=39.102,	free=3,	charge=0;
-	particle:	particle_type=CL,	element_name=C,	sigma=4,	epsilon=0.07,	sigma14=4,	epsilon14=0.07,	mass=12.011,	free=3,	charge=0;
-	};
-bonds	{
-	bond:	particle_type1=OW,	particle_type2=HW,	bond_type=harmonic,	k_b=450,	r_0=0.957,	k=0,	e_0=0;
-	bond:	particle_type1=CC30A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CC30A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=HEL2,	particle_type2=CEL2,	bond_type=harmonic,	k_b=365,	r_0=1.1,	k=0,	e_0=0;
-	bond:	particle_type1=CEL2,	particle_type2=CEL2,	bond_type=harmonic,	k_b=510,	r_0=1.33,	k=0,	e_0=0;
-	bond:	particle_type1=CTL3,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CTL3,	particle_type2=HAL3,	bond_type=harmonic,	k_b=322,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=CTL3,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
-	bond:	particle_type1=CTL3,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
-	bond:	particle_type1=OBL,	particle_type2=CL,	bond_type=harmonic,	k_b=750,	r_0=1.22,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=CTL3,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=CTL2,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=CTL1,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=CL,	bond_type=harmonic,	k_b=230,	r_0=1.4,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=PL,	bond_type=harmonic,	k_b=237,	r_0=1.59,	k=0,	e_0=0;
-	bond:	particle_type1=HT,	particle_type2=HT,	bond_type=harmonic,	k_b=0,	r_0=1.5139,	k=0,	e_0=0;
-	bond:	particle_type1=HT,	particle_type2=OT,	bond_type=harmonic,	k_b=450,	r_0=0.9572,	k=0,	e_0=0;
-	bond:	particle_type1=CC325B,	particle_type2=OC305A,	bond_type=harmonic,	k_b=350,	r_0=1.425,	k=0,	e_0=0;
-	bond:	particle_type1=CC325B,	particle_type2=HCA25A,	bond_type=harmonic,	k_b=307,	r_0=1.1,	k=0,	e_0=0;
-	bond:	particle_type1=CC325B,	particle_type2=CC325B,	bond_type=harmonic,	k_b=195,	r_0=1.518,	k=0,	e_0=0;
-	bond:	particle_type1=CC325B,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
-	bond:	particle_type1=NTL,	particle_type2=CTL5,	bond_type=harmonic,	k_b=215,	r_0=1.51,	k=0,	e_0=0;
-	bond:	particle_type1=NTL,	particle_type2=CTL2,	bond_type=harmonic,	k_b=215,	r_0=1.51,	k=0,	e_0=0;
-	bond:	particle_type1=HOL,	particle_type2=OHL,	bond_type=harmonic,	k_b=545,	r_0=0.96,	k=0,	e_0=0;
-	bond:	particle_type1=CC326A,	particle_type2=CC326A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CC326A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
-	bond:	particle_type1=CC326A,	particle_type2=HCA2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=NH3L,	particle_type2=HCL,	bond_type=harmonic,	k_b=410,	r_0=1.04,	k=0,	e_0=0;
-	bond:	particle_type1=NH3L,	particle_type2=CTL2,	bond_type=harmonic,	k_b=261,	r_0=1.51,	k=0,	e_0=0;
-	bond:	particle_type1=CC33A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CC33A,	particle_type2=HCA3,	bond_type=harmonic,	k_b=322,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=CC33A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
-	bond:	particle_type1=CEL1,	particle_type2=CEL2,	bond_type=harmonic,	k_b=500,	r_0=1.342,	k=0,	e_0=0;
-	bond:	particle_type1=CEL1,	particle_type2=CTL3,	bond_type=harmonic,	k_b=383,	r_0=1.504,	k=0,	e_0=0;
-	bond:	particle_type1=CEL1,	particle_type2=CEL1,	bond_type=harmonic,	k_b=440,	r_0=1.34,	k=0,	e_0=0;
-	bond:	particle_type1=CEL1,	particle_type2=CTL2,	bond_type=harmonic,	k_b=365,	r_0=1.502,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=CTL1,	bond_type=harmonic,	k_b=222.5,	r_0=1.5,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=HAL1,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=HCA2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=O2L,	particle_type2=PL,	bond_type=harmonic,	k_b=580,	r_0=1.48,	k=0,	e_0=0;
-	bond:	particle_type1=CC31A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CC31A,	particle_type2=HCA1,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=CC31A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CC31A,	particle_type2=CC31A,	bond_type=harmonic,	k_b=222.5,	r_0=1.5,	k=0,	e_0=0;
-	bond:	particle_type1=OCL,	particle_type2=CL,	bond_type=harmonic,	k_b=525,	r_0=1.26,	k=0,	e_0=0;
-	bond:	particle_type1=OSL,	particle_type2=CL,	bond_type=harmonic,	k_b=150,	r_0=1.334,	k=0,	e_0=0;
-	bond:	particle_type1=OSL,	particle_type2=PL,	bond_type=harmonic,	k_b=270,	r_0=1.6,	k=0,	e_0=0;
-	bond:	particle_type1=CTL5,	particle_type2=HL,	bond_type=harmonic,	k_b=300,	r_0=1.08,	k=0,	e_0=0;
-	bond:	particle_type1=CC325A,	particle_type2=HCA25A,	bond_type=harmonic,	k_b=307,	r_0=1.116,	k=0,	e_0=0;
-	bond:	particle_type1=CC325A,	particle_type2=CC325A,	bond_type=harmonic,	k_b=195,	r_0=1.548,	k=0,	e_0=0;
-	bond:	particle_type1=HEL1,	particle_type2=CEL1,	bond_type=harmonic,	k_b=360.5,	r_0=1.1,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=HL,	bond_type=harmonic,	k_b=300,	r_0=1.08,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=HAL2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=SL,	particle_type2=O2L,	bond_type=harmonic,	k_b=540,	r_0=1.448,	k=0,	e_0=0;
-	bond:	particle_type1=SL,	particle_type2=OSL,	bond_type=harmonic,	k_b=250,	r_0=1.575,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=OSL,	bond_type=harmonic,	k_b=349.86,	r_0=1.4225,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
-	};
-angles	{
-	angle:	particle_type1=HW,	particle_type2=OW,	particle_type3=HW,	angle_type=harmonic,	k_th=55,	theta_0=104.52,	k_1=0,	k_2=0,	k=0,	cos_theta_0=0,	k_ub=0.696552476618639,	S_0=2.561;
-	angle:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=47,	theta_0=125.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=48,	theta_0=126,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CL,	angle_type=harmonic,	k_th=52,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=20,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HT,	particle_type2=OT,	particle_type3=HT,	angle_type=harmonic,	k_th=55,	theta_0=104.52,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=OC305A,	angle_type=harmonic,	k_th=70,	theta_0=107.3,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=HCA25A,	angle_type=SongHiLee,	k_th=38.5,	theta_0=106.8,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=35,	theta_0=111.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=HCA25A,	angle_type=SongHiLee,	k_th=38.5,	theta_0=106.8,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=CC325A,	angle_type=SongHiLee,	k_th=35,	theta_0=111.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NTL,	particle_type2=CTL5,	particle_type3=HL,	angle_type=SongHiLee,	k_th=40,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=67.7,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=HL,	angle_type=SongHiLee,	k_th=40,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=67.7,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL3,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL2,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL1,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CL,	angle_type=harmonic,	k_th=55,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=30,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=112,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=OC30A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=OC30A,	particle_type3=CC33A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=OC30A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=O2L,	particle_type2=SL,	particle_type3=O2L,	angle_type=SongHiLee,	k_th=130,	theta_0=109.47,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=O2L,	particle_type2=SL,	particle_type3=OSL,	angle_type=harmonic,	k_th=85,	theta_0=98,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=O2L,	particle_type2=PL,	particle_type3=O2L,	angle_type=harmonic,	k_th=120,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OHL,	angle_type=harmonic,	k_th=98.9,	theta_0=108.23,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=108.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=55,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=55,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=OBL,	angle_type=SongHiLee,	k_th=90,	theta_0=125.9,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=O2L,	angle_type=harmonic,	k_th=98.9,	theta_0=111.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	angle_type=harmonic,	k_th=80,	theta_0=104.3,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OHL,	angle_type=harmonic,	k_th=48.1,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL5,	particle_type2=NTL,	particle_type3=CTL5,	angle_type=SongHiLee,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL5,	particle_type2=NTL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL2,	angle_type=harmonic,	k_th=42,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=22,	theta_0=117,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL1,	angle_type=harmonic,	k_th=52,	theta_0=119.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=40,	theta_0=116,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=HEL2,	angle_type=harmonic,	k_th=19,	theta_0=119,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=CEL2,	angle_type=harmonic,	k_th=55.5,	theta_0=120.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=CEL1,	angle_type=harmonic,	k_th=45,	theta_0=120.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC30A,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=HCA3,	angle_type=SongHiLee,	k_th=35.5,	theta_0=108.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=37.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL3,	particle_type3=HAL3,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL1,	particle_type3=HAL1,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=harmonic,	k_th=55,	theta_0=110.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=harmonic,	k_th=55,	theta_0=110.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=OBL,	angle_type=SongHiLee,	k_th=50,	theta_0=123,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=harmonic,	k_th=45,	theta_0=111.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC325B,	particle_type2=OC305A,	particle_type3=CC325B,	angle_type=harmonic,	k_th=95,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=58,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=67.7,	theta_0=110,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=SongHiLee,	k_th=45,	theta_0=107.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HL,	particle_type2=CTL5,	particle_type3=HL,	angle_type=SongHiLee,	k_th=24,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=HL,	angle_type=SongHiLee,	k_th=24,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=48,	theta_0=123.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=48,	theta_0=123.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL1,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=32,	theta_0=112.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL1,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=32,	theta_0=112.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=53.35,	theta_0=108.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=53.35,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CEL1,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CL,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=OCL,	angle_type=SongHiLee,	k_th=100,	theta_0=124,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=40,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=40,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=37.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CEL1,	angle_type=harmonic,	k_th=42,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=HAL3,	angle_type=SongHiLee,	k_th=35.5,	theta_0=108.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CL,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC30A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=HCA2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=45,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=HCA2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCL,	particle_type2=NH3L,	particle_type3=HCL,	angle_type=harmonic,	k_th=41,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCL,	particle_type2=NH3L,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	angle_type=SongHiLee,	k_th=58,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CL,	angle_type=harmonic,	k_th=52,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=20,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CTL2,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=OC30A,	particle_type3=CTL2,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	};
-torsions	{
-	torsion:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=HEL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OHL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0;
-	torsion:	particle_type1=OHL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0;
-	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0,	k_4=0,	n_4=2,	delta_4=0;
-	torsion:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0,	k_4=0,	n_4=1,	delta_4=0;
-	torsion:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=5,	delta_1=0,	k_2=0,	n_2=5,	delta_2=0,	k_3=0,	n_3=5,	delta_3=0,	k_4=0,	n_4=5,	delta_4=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=6,	delta_1=0,	k_2=0,	n_2=6,	delta_2=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC325A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=5,	delta_1=0,	k_2=0,	n_2=5,	delta_2=0,	k_3=0,	n_3=5,	delta_3=0,	k_4=0,	n_4=5,	delta_4=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CEL2,	particle_type3=CEL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL5,	particle_type3=NTL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=CL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=NTL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=NH3L,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CL,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CL,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL1,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=OHL,	particle_type3=PL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC30A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0,	k_4=0,	n_4=1,	delta_4=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=OSL,	particle_type4=SL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CL,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC31A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC325A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=HEL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OSL,	particle_type4=SL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OSL,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	};
-impropers	{
-	improper:	particle_type1=HEL2,	particle_type2=HEL2,	particle_type3=CEL2,	particle_type4=CEL2,	improper_type=harmonic,	k_psi=3,	psi_0=0;
-	improper:	particle_type1=OCL,	particle_type2=X,	particle_type3=X,	particle_type4=CL,	improper_type=harmonic,	k_psi=96,	psi_0=0;
-	improper:	particle_type1=OBL,	particle_type2=X,	particle_type3=X,	particle_type4=CL,	improper_type=harmonic,	k_psi=100,	psi_0=0;
-	};
-nonbonded_2body_potentials	{
-	lennardjones:	particle_type1=HW,	particle_type2=OW,	r_cut=12.75;
-	lennardjones:	particle_type1=HW,	particle_type2=HW,	r_cut=12.75;
-	lennardjones:	particle_type1=OW,	particle_type2=OW,	r_cut=12.75;
-	lennardjones:	particle_type1=Na,	particle_type2=Na,	r_cut=12.70025;
-	lennardjones:	particle_type1=Na,	particle_type2=Cl,	r_cut=12.70025;
-	lennardjones:	particle_type1=Cl,	particle_type2=Cl,	r_cut=12.70025;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=POT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=POT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	};
Index: tests/regression/Filling/RegularGrid/pre/water.data
===================================================================
--- tests/regression/Filling/RegularGrid/pre/water.data	(revision 4a4f3d8ce22775957b51c385fd5f8d8a6fb427cc)
+++ tests/regression/Filling/RegularGrid/pre/water.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
@@ -1,4 +1,4 @@
-# ATOMDATA	Id	type	x=3	neighbors=4
-1	OW	0	0	0	2	3	0	0	
-2	HW	0.759	0	0.504	1	0	0	0	
-3	HW	0.759	0	-0.504	1	0	0	0	
+# ATOMDATA	Id	name	resName	chainID	x=3	type	neighbors=4	charge
+1	OW	TIP3	0	0	0	0	OW	2	3	0	0	-0.834
+2	HW	TIP3	0	0.759	0	0.504	HW	1	0	0	0	0.417
+3	HW	TIP3	0	0.759	0	-0.504	HW	1	0	0	0	0.417
