Index: tests/regression/Filling/RegularGrid/post/double_sles-undo.data
===================================================================
--- tests/regression/Filling/RegularGrid/post/double_sles-undo.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
+++ tests/regression/Filling/RegularGrid/post/double_sles-undo.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
@@ -0,0 +1,119 @@
+# 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	
+115	OW	TIP3	0	0	0	0	OW	116	117	0	0	-0.834	
+116	HW	TIP3	0	0.759	0	0.504	HW	115	0	0	0	0.417	
+117	HW	TIP3	0	0.759	0	-0.504	HW	115	0	0	0	0.417	
Index: tests/regression/Filling/RegularGrid/post/single_sles-undo.data
===================================================================
--- tests/regression/Filling/RegularGrid/post/single_sles-undo.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
+++ tests/regression/Filling/RegularGrid/post/single_sles-undo.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
@@ -0,0 +1,62 @@
+# 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	
+58	OW	TIP3	0	0	0	0	OW	59	60	0	0	-0.834	
+59	HW	TIP3	0	0.759	0	0.504	HW	58	0	0	0	0.417	
+60	HW	TIP3	0	0.759	0	-0.504	HW	58	0	0	0	0.417	
Index: tests/regression/Filling/RegularGrid/post/solved_double_sles.data
===================================================================
--- tests/regression/Filling/RegularGrid/post/solved_double_sles.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
+++ tests/regression/Filling/RegularGrid/post/solved_double_sles.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
@@ -0,0 +1,1214 @@
+# 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	
+115	OW	TIP3	0	1.4199	1.5444	1.54163	OW	116	117	0	0	-0.834	
+116	HW	TIP3	0	2.1789	1.5444	2.04563	HW	115	0	0	0	0.417	
+117	HW	TIP3	0	2.1789	1.5444	1.03763	HW	115	0	0	0	0.417	
+118	OW	TIP3	0	1.4199	1.5444	4.6249	OW	119	120	0	0	-0.834	
+119	HW	TIP3	0	2.1789	1.5444	5.1289	HW	118	0	0	0	0.417	
+120	HW	TIP3	0	2.1789	1.5444	4.1209	HW	118	0	0	0	0.417	
+121	OW	TIP3	0	1.4199	1.5444	7.70816	OW	122	123	0	0	-0.834	
+122	HW	TIP3	0	2.1789	1.5444	8.21216	HW	121	0	0	0	0.417	
+123	HW	TIP3	0	2.1789	1.5444	7.20416	HW	121	0	0	0	0.417	
+124	OW	TIP3	0	1.4199	1.5444	10.7914	OW	125	126	0	0	-0.834	
+125	HW	TIP3	0	2.1789	1.5444	11.2954	HW	124	0	0	0	0.417	
+126	HW	TIP3	0	2.1789	1.5444	10.2874	HW	124	0	0	0	0.417	
+127	OW	TIP3	0	1.4199	1.5444	13.8747	OW	128	129	0	0	-0.834	
+128	HW	TIP3	0	2.1789	1.5444	14.3787	HW	127	0	0	0	0.417	
+129	HW	TIP3	0	2.1789	1.5444	13.3707	HW	127	0	0	0	0.417	
+130	OW	TIP3	0	1.4199	1.5444	16.958	OW	131	132	0	0	-0.834	
+131	HW	TIP3	0	2.1789	1.5444	17.4619	HW	130	0	0	0	0.417	
+132	HW	TIP3	0	2.1789	1.5444	16.454	HW	130	0	0	0	0.417	
+133	OW	TIP3	0	1.4199	1.5444	20.0412	OW	134	135	0	0	-0.834	
+134	HW	TIP3	0	2.1789	1.5444	20.5452	HW	133	0	0	0	0.417	
+135	HW	TIP3	0	2.1789	1.5444	19.5372	HW	133	0	0	0	0.417	
+136	OW	TIP3	0	1.4199	1.5444	23.1245	OW	137	138	0	0	-0.834	
+137	HW	TIP3	0	2.1789	1.5444	23.6285	HW	136	0	0	0	0.417	
+138	HW	TIP3	0	2.1789	1.5444	22.6205	HW	136	0	0	0	0.417	
+139	OW	TIP3	0	1.4199	1.5444	26.2077	OW	140	141	0	0	-0.834	
+140	HW	TIP3	0	2.1789	1.5444	26.7117	HW	139	0	0	0	0.417	
+141	HW	TIP3	0	2.1789	1.5444	25.7037	HW	139	0	0	0	0.417	
+142	OW	TIP3	0	1.4199	1.5444	29.291	OW	143	144	0	0	-0.834	
+143	HW	TIP3	0	2.1789	1.5444	29.795	HW	142	0	0	0	0.417	
+144	HW	TIP3	0	2.1789	1.5444	28.787	HW	142	0	0	0	0.417	
+145	OW	TIP3	0	1.4199	1.5444	32.3743	OW	146	147	0	0	-0.834	
+146	HW	TIP3	0	2.1789	1.5444	32.8783	HW	145	0	0	0	0.417	
+147	HW	TIP3	0	2.1789	1.5444	31.8703	HW	145	0	0	0	0.417	
+148	OW	TIP3	0	1.4199	4.6332	1.54163	OW	149	150	0	0	-0.834	
+149	HW	TIP3	0	2.1789	4.6332	2.04563	HW	148	0	0	0	0.417	
+150	HW	TIP3	0	2.1789	4.6332	1.03763	HW	148	0	0	0	0.417	
+151	OW	TIP3	0	1.4199	4.6332	4.6249	OW	152	153	0	0	-0.834	
+152	HW	TIP3	0	2.1789	4.6332	5.1289	HW	151	0	0	0	0.417	
+153	HW	TIP3	0	2.1789	4.6332	4.1209	HW	151	0	0	0	0.417	
+154	OW	TIP3	0	1.4199	4.6332	7.70816	OW	155	156	0	0	-0.834	
+155	HW	TIP3	0	2.1789	4.6332	8.21216	HW	154	0	0	0	0.417	
+156	HW	TIP3	0	2.1789	4.6332	7.20416	HW	154	0	0	0	0.417	
+157	OW	TIP3	0	1.4199	4.6332	10.7914	OW	158	159	0	0	-0.834	
+158	HW	TIP3	0	2.1789	4.6332	11.2954	HW	157	0	0	0	0.417	
+159	HW	TIP3	0	2.1789	4.6332	10.2874	HW	157	0	0	0	0.417	
+160	OW	TIP3	0	1.4199	4.6332	13.8747	OW	161	162	0	0	-0.834	
+161	HW	TIP3	0	2.1789	4.6332	14.3787	HW	160	0	0	0	0.417	
+162	HW	TIP3	0	2.1789	4.6332	13.3707	HW	160	0	0	0	0.417	
+163	OW	TIP3	0	1.4199	4.6332	16.958	OW	164	165	0	0	-0.834	
+164	HW	TIP3	0	2.1789	4.6332	17.4619	HW	163	0	0	0	0.417	
+165	HW	TIP3	0	2.1789	4.6332	16.454	HW	163	0	0	0	0.417	
+166	OW	TIP3	0	1.4199	4.6332	20.0412	OW	167	168	0	0	-0.834	
+167	HW	TIP3	0	2.1789	4.6332	20.5452	HW	166	0	0	0	0.417	
+168	HW	TIP3	0	2.1789	4.6332	19.5372	HW	166	0	0	0	0.417	
+169	OW	TIP3	0	1.4199	4.6332	23.1245	OW	170	171	0	0	-0.834	
+170	HW	TIP3	0	2.1789	4.6332	23.6285	HW	169	0	0	0	0.417	
+171	HW	TIP3	0	2.1789	4.6332	22.6205	HW	169	0	0	0	0.417	
+172	OW	TIP3	0	1.4199	4.6332	26.2077	OW	173	174	0	0	-0.834	
+173	HW	TIP3	0	2.1789	4.6332	26.7117	HW	172	0	0	0	0.417	
+174	HW	TIP3	0	2.1789	4.6332	25.7037	HW	172	0	0	0	0.417	
+175	OW	TIP3	0	1.4199	4.6332	29.291	OW	176	177	0	0	-0.834	
+176	HW	TIP3	0	2.1789	4.6332	29.795	HW	175	0	0	0	0.417	
+177	HW	TIP3	0	2.1789	4.6332	28.787	HW	175	0	0	0	0.417	
+178	OW	TIP3	0	1.4199	4.6332	32.3743	OW	179	180	0	0	-0.834	
+179	HW	TIP3	0	2.1789	4.6332	32.8783	HW	178	0	0	0	0.417	
+180	HW	TIP3	0	2.1789	4.6332	31.8703	HW	178	0	0	0	0.417	
+181	OW	TIP3	0	1.4199	7.722	1.54163	OW	182	183	0	0	-0.834	
+182	HW	TIP3	0	2.1789	7.722	2.04563	HW	181	0	0	0	0.417	
+183	HW	TIP3	0	2.1789	7.722	1.03763	HW	181	0	0	0	0.417	
+184	OW	TIP3	0	1.4199	7.722	4.6249	OW	185	186	0	0	-0.834	
+185	HW	TIP3	0	2.1789	7.722	5.1289	HW	184	0	0	0	0.417	
+186	HW	TIP3	0	2.1789	7.722	4.1209	HW	184	0	0	0	0.417	
+187	OW	TIP3	0	1.4199	7.722	7.70816	OW	188	189	0	0	-0.834	
+188	HW	TIP3	0	2.1789	7.722	8.21216	HW	187	0	0	0	0.417	
+189	HW	TIP3	0	2.1789	7.722	7.20416	HW	187	0	0	0	0.417	
+190	OW	TIP3	0	1.4199	7.722	10.7914	OW	191	192	0	0	-0.834	
+191	HW	TIP3	0	2.1789	7.722	11.2954	HW	190	0	0	0	0.417	
+192	HW	TIP3	0	2.1789	7.722	10.2874	HW	190	0	0	0	0.417	
+193	OW	TIP3	0	1.4199	7.722	13.8747	OW	194	195	0	0	-0.834	
+194	HW	TIP3	0	2.1789	7.722	14.3787	HW	193	0	0	0	0.417	
+195	HW	TIP3	0	2.1789	7.722	13.3707	HW	193	0	0	0	0.417	
+196	OW	TIP3	0	1.4199	7.722	16.958	OW	197	198	0	0	-0.834	
+197	HW	TIP3	0	2.1789	7.722	17.4619	HW	196	0	0	0	0.417	
+198	HW	TIP3	0	2.1789	7.722	16.454	HW	196	0	0	0	0.417	
+199	OW	TIP3	0	1.4199	7.722	20.0412	OW	200	201	0	0	-0.834	
+200	HW	TIP3	0	2.1789	7.722	20.5452	HW	199	0	0	0	0.417	
+201	HW	TIP3	0	2.1789	7.722	19.5372	HW	199	0	0	0	0.417	
+202	OW	TIP3	0	1.4199	7.722	23.1245	OW	203	204	0	0	-0.834	
+203	HW	TIP3	0	2.1789	7.722	23.6285	HW	202	0	0	0	0.417	
+204	HW	TIP3	0	2.1789	7.722	22.6205	HW	202	0	0	0	0.417	
+205	OW	TIP3	0	1.4199	7.722	26.2077	OW	206	207	0	0	-0.834	
+206	HW	TIP3	0	2.1789	7.722	26.7117	HW	205	0	0	0	0.417	
+207	HW	TIP3	0	2.1789	7.722	25.7037	HW	205	0	0	0	0.417	
+208	OW	TIP3	0	1.4199	7.722	29.291	OW	209	210	0	0	-0.834	
+209	HW	TIP3	0	2.1789	7.722	29.795	HW	208	0	0	0	0.417	
+210	HW	TIP3	0	2.1789	7.722	28.787	HW	208	0	0	0	0.417	
+211	OW	TIP3	0	1.4199	7.722	32.3743	OW	212	213	0	0	-0.834	
+212	HW	TIP3	0	2.1789	7.722	32.8783	HW	211	0	0	0	0.417	
+213	HW	TIP3	0	2.1789	7.722	31.8703	HW	211	0	0	0	0.417	
+214	OW	TIP3	0	1.4199	10.8108	1.54163	OW	215	216	0	0	-0.834	
+215	HW	TIP3	0	2.1789	10.8108	2.04563	HW	214	0	0	0	0.417	
+216	HW	TIP3	0	2.1789	10.8108	1.03763	HW	214	0	0	0	0.417	
+217	OW	TIP3	0	1.4199	10.8108	4.6249	OW	218	219	0	0	-0.834	
+218	HW	TIP3	0	2.1789	10.8108	5.1289	HW	217	0	0	0	0.417	
+219	HW	TIP3	0	2.1789	10.8108	4.1209	HW	217	0	0	0	0.417	
+220	OW	TIP3	0	1.4199	10.8108	7.70816	OW	221	222	0	0	-0.834	
+221	HW	TIP3	0	2.1789	10.8108	8.21216	HW	220	0	0	0	0.417	
+222	HW	TIP3	0	2.1789	10.8108	7.20416	HW	220	0	0	0	0.417	
+223	OW	TIP3	0	1.4199	10.8108	10.7914	OW	224	225	0	0	-0.834	
+224	HW	TIP3	0	2.1789	10.8108	11.2954	HW	223	0	0	0	0.417	
+225	HW	TIP3	0	2.1789	10.8108	10.2874	HW	223	0	0	0	0.417	
+226	OW	TIP3	0	1.4199	10.8108	13.8747	OW	227	228	0	0	-0.834	
+227	HW	TIP3	0	2.1789	10.8108	14.3787	HW	226	0	0	0	0.417	
+228	HW	TIP3	0	2.1789	10.8108	13.3707	HW	226	0	0	0	0.417	
+229	OW	TIP3	0	1.4199	10.8108	16.958	OW	230	231	0	0	-0.834	
+230	HW	TIP3	0	2.1789	10.8108	17.4619	HW	229	0	0	0	0.417	
+231	HW	TIP3	0	2.1789	10.8108	16.454	HW	229	0	0	0	0.417	
+232	OW	TIP3	0	1.4199	10.8108	20.0412	OW	233	234	0	0	-0.834	
+233	HW	TIP3	0	2.1789	10.8108	20.5452	HW	232	0	0	0	0.417	
+234	HW	TIP3	0	2.1789	10.8108	19.5372	HW	232	0	0	0	0.417	
+235	OW	TIP3	0	1.4199	10.8108	23.1245	OW	236	237	0	0	-0.834	
+236	HW	TIP3	0	2.1789	10.8108	23.6285	HW	235	0	0	0	0.417	
+237	HW	TIP3	0	2.1789	10.8108	22.6205	HW	235	0	0	0	0.417	
+238	OW	TIP3	0	1.4199	10.8108	26.2077	OW	239	240	0	0	-0.834	
+239	HW	TIP3	0	2.1789	10.8108	26.7117	HW	238	0	0	0	0.417	
+240	HW	TIP3	0	2.1789	10.8108	25.7037	HW	238	0	0	0	0.417	
+241	OW	TIP3	0	1.4199	10.8108	29.291	OW	242	243	0	0	-0.834	
+242	HW	TIP3	0	2.1789	10.8108	29.795	HW	241	0	0	0	0.417	
+243	HW	TIP3	0	2.1789	10.8108	28.787	HW	241	0	0	0	0.417	
+244	OW	TIP3	0	1.4199	10.8108	32.3743	OW	245	246	0	0	-0.834	
+245	HW	TIP3	0	2.1789	10.8108	32.8783	HW	244	0	0	0	0.417	
+246	HW	TIP3	0	2.1789	10.8108	31.8703	HW	244	0	0	0	0.417	
+247	OW	TIP3	0	1.4199	13.8996	1.54163	OW	248	249	0	0	-0.834	
+248	HW	TIP3	0	2.1789	13.8996	2.04563	HW	247	0	0	0	0.417	
+249	HW	TIP3	0	2.1789	13.8996	1.03763	HW	247	0	0	0	0.417	
+250	OW	TIP3	0	1.4199	13.8996	4.6249	OW	251	252	0	0	-0.834	
+251	HW	TIP3	0	2.1789	13.8996	5.1289	HW	250	0	0	0	0.417	
+252	HW	TIP3	0	2.1789	13.8996	4.1209	HW	250	0	0	0	0.417	
+253	OW	TIP3	0	1.4199	13.8996	7.70816	OW	254	255	0	0	-0.834	
+254	HW	TIP3	0	2.1789	13.8996	8.21216	HW	253	0	0	0	0.417	
+255	HW	TIP3	0	2.1789	13.8996	7.20416	HW	253	0	0	0	0.417	
+256	OW	TIP3	0	1.4199	13.8996	10.7914	OW	257	258	0	0	-0.834	
+257	HW	TIP3	0	2.1789	13.8996	11.2954	HW	256	0	0	0	0.417	
+258	HW	TIP3	0	2.1789	13.8996	10.2874	HW	256	0	0	0	0.417	
+259	OW	TIP3	0	1.4199	13.8996	13.8747	OW	260	261	0	0	-0.834	
+260	HW	TIP3	0	2.1789	13.8996	14.3787	HW	259	0	0	0	0.417	
+261	HW	TIP3	0	2.1789	13.8996	13.3707	HW	259	0	0	0	0.417	
+262	OW	TIP3	0	1.4199	13.8996	16.958	OW	263	264	0	0	-0.834	
+263	HW	TIP3	0	2.1789	13.8996	17.4619	HW	262	0	0	0	0.417	
+264	HW	TIP3	0	2.1789	13.8996	16.454	HW	262	0	0	0	0.417	
+265	OW	TIP3	0	1.4199	13.8996	20.0412	OW	266	267	0	0	-0.834	
+266	HW	TIP3	0	2.1789	13.8996	20.5452	HW	265	0	0	0	0.417	
+267	HW	TIP3	0	2.1789	13.8996	19.5372	HW	265	0	0	0	0.417	
+268	OW	TIP3	0	1.4199	13.8996	23.1245	OW	269	270	0	0	-0.834	
+269	HW	TIP3	0	2.1789	13.8996	23.6285	HW	268	0	0	0	0.417	
+270	HW	TIP3	0	2.1789	13.8996	22.6205	HW	268	0	0	0	0.417	
+271	OW	TIP3	0	1.4199	13.8996	26.2077	OW	272	273	0	0	-0.834	
+272	HW	TIP3	0	2.1789	13.8996	26.7117	HW	271	0	0	0	0.417	
+273	HW	TIP3	0	2.1789	13.8996	25.7037	HW	271	0	0	0	0.417	
+274	OW	TIP3	0	1.4199	13.8996	29.291	OW	275	276	0	0	-0.834	
+275	HW	TIP3	0	2.1789	13.8996	29.795	HW	274	0	0	0	0.417	
+276	HW	TIP3	0	2.1789	13.8996	28.787	HW	274	0	0	0	0.417	
+277	OW	TIP3	0	1.4199	13.8996	32.3743	OW	278	279	0	0	-0.834	
+278	HW	TIP3	0	2.1789	13.8996	32.8783	HW	277	0	0	0	0.417	
+279	HW	TIP3	0	2.1789	13.8996	31.8703	HW	277	0	0	0	0.417	
+280	OW	TIP3	0	1.4199	16.9884	1.54163	OW	281	282	0	0	-0.834	
+281	HW	TIP3	0	2.1789	16.9884	2.04563	HW	280	0	0	0	0.417	
+282	HW	TIP3	0	2.1789	16.9884	1.03763	HW	280	0	0	0	0.417	
+283	OW	TIP3	0	1.4199	16.9884	4.6249	OW	284	285	0	0	-0.834	
+284	HW	TIP3	0	2.1789	16.9884	5.1289	HW	283	0	0	0	0.417	
+285	HW	TIP3	0	2.1789	16.9884	4.1209	HW	283	0	0	0	0.417	
+286	OW	TIP3	0	1.4199	16.9884	7.70816	OW	287	288	0	0	-0.834	
+287	HW	TIP3	0	2.1789	16.9884	8.21216	HW	286	0	0	0	0.417	
+288	HW	TIP3	0	2.1789	16.9884	7.20416	HW	286	0	0	0	0.417	
+289	OW	TIP3	0	1.4199	16.9884	10.7914	OW	290	291	0	0	-0.834	
+290	HW	TIP3	0	2.1789	16.9884	11.2954	HW	289	0	0	0	0.417	
+291	HW	TIP3	0	2.1789	16.9884	10.2874	HW	289	0	0	0	0.417	
+292	OW	TIP3	0	1.4199	16.9884	13.8747	OW	293	294	0	0	-0.834	
+293	HW	TIP3	0	2.1789	16.9884	14.3787	HW	292	0	0	0	0.417	
+294	HW	TIP3	0	2.1789	16.9884	13.3707	HW	292	0	0	0	0.417	
+295	OW	TIP3	0	1.4199	16.9884	16.958	OW	296	297	0	0	-0.834	
+296	HW	TIP3	0	2.1789	16.9884	17.4619	HW	295	0	0	0	0.417	
+297	HW	TIP3	0	2.1789	16.9884	16.454	HW	295	0	0	0	0.417	
+298	OW	TIP3	0	1.4199	16.9884	20.0412	OW	299	300	0	0	-0.834	
+299	HW	TIP3	0	2.1789	16.9884	20.5452	HW	298	0	0	0	0.417	
+300	HW	TIP3	0	2.1789	16.9884	19.5372	HW	298	0	0	0	0.417	
+301	OW	TIP3	0	1.4199	16.9884	23.1245	OW	302	303	0	0	-0.834	
+302	HW	TIP3	0	2.1789	16.9884	23.6285	HW	301	0	0	0	0.417	
+303	HW	TIP3	0	2.1789	16.9884	22.6205	HW	301	0	0	0	0.417	
+304	OW	TIP3	0	1.4199	16.9884	26.2077	OW	305	306	0	0	-0.834	
+305	HW	TIP3	0	2.1789	16.9884	26.7117	HW	304	0	0	0	0.417	
+306	HW	TIP3	0	2.1789	16.9884	25.7037	HW	304	0	0	0	0.417	
+307	OW	TIP3	0	1.4199	16.9884	29.291	OW	308	309	0	0	-0.834	
+308	HW	TIP3	0	2.1789	16.9884	29.795	HW	307	0	0	0	0.417	
+309	HW	TIP3	0	2.1789	16.9884	28.787	HW	307	0	0	0	0.417	
+310	OW	TIP3	0	1.4199	16.9884	32.3743	OW	311	312	0	0	-0.834	
+311	HW	TIP3	0	2.1789	16.9884	32.8783	HW	310	0	0	0	0.417	
+312	HW	TIP3	0	2.1789	16.9884	31.8703	HW	310	0	0	0	0.417	
+313	OW	TIP3	0	1.4199	20.0772	1.54163	OW	314	315	0	0	-0.834	
+314	HW	TIP3	0	2.1789	20.0772	2.04563	HW	313	0	0	0	0.417	
+315	HW	TIP3	0	2.1789	20.0772	1.03763	HW	313	0	0	0	0.417	
+316	OW	TIP3	0	1.4199	20.0772	4.6249	OW	317	318	0	0	-0.834	
+317	HW	TIP3	0	2.1789	20.0772	5.1289	HW	316	0	0	0	0.417	
+318	HW	TIP3	0	2.1789	20.0772	4.1209	HW	316	0	0	0	0.417	
+319	OW	TIP3	0	1.4199	20.0772	7.70816	OW	320	321	0	0	-0.834	
+320	HW	TIP3	0	2.1789	20.0772	8.21216	HW	319	0	0	0	0.417	
+321	HW	TIP3	0	2.1789	20.0772	7.20416	HW	319	0	0	0	0.417	
+322	OW	TIP3	0	1.4199	20.0772	10.7914	OW	323	324	0	0	-0.834	
+323	HW	TIP3	0	2.1789	20.0772	11.2954	HW	322	0	0	0	0.417	
+324	HW	TIP3	0	2.1789	20.0772	10.2874	HW	322	0	0	0	0.417	
+325	OW	TIP3	0	1.4199	20.0772	13.8747	OW	326	327	0	0	-0.834	
+326	HW	TIP3	0	2.1789	20.0772	14.3787	HW	325	0	0	0	0.417	
+327	HW	TIP3	0	2.1789	20.0772	13.3707	HW	325	0	0	0	0.417	
+328	OW	TIP3	0	1.4199	20.0772	16.958	OW	329	330	0	0	-0.834	
+329	HW	TIP3	0	2.1789	20.0772	17.4619	HW	328	0	0	0	0.417	
+330	HW	TIP3	0	2.1789	20.0772	16.454	HW	328	0	0	0	0.417	
+331	OW	TIP3	0	1.4199	20.0772	20.0412	OW	332	333	0	0	-0.834	
+332	HW	TIP3	0	2.1789	20.0772	20.5452	HW	331	0	0	0	0.417	
+333	HW	TIP3	0	2.1789	20.0772	19.5372	HW	331	0	0	0	0.417	
+334	OW	TIP3	0	1.4199	20.0772	23.1245	OW	335	336	0	0	-0.834	
+335	HW	TIP3	0	2.1789	20.0772	23.6285	HW	334	0	0	0	0.417	
+336	HW	TIP3	0	2.1789	20.0772	22.6205	HW	334	0	0	0	0.417	
+337	OW	TIP3	0	1.4199	20.0772	26.2077	OW	338	339	0	0	-0.834	
+338	HW	TIP3	0	2.1789	20.0772	26.7117	HW	337	0	0	0	0.417	
+339	HW	TIP3	0	2.1789	20.0772	25.7037	HW	337	0	0	0	0.417	
+340	OW	TIP3	0	1.4199	20.0772	29.291	OW	341	342	0	0	-0.834	
+341	HW	TIP3	0	2.1789	20.0772	29.795	HW	340	0	0	0	0.417	
+342	HW	TIP3	0	2.1789	20.0772	28.787	HW	340	0	0	0	0.417	
+343	OW	TIP3	0	1.4199	20.0772	32.3743	OW	344	345	0	0	-0.834	
+344	HW	TIP3	0	2.1789	20.0772	32.8783	HW	343	0	0	0	0.417	
+345	HW	TIP3	0	2.1789	20.0772	31.8703	HW	343	0	0	0	0.417	
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+347	HW	TIP3	0	5.0187	1.5444	2.04563	HW	346	0	0	0	0.417	
+348	HW	TIP3	0	5.0187	1.5444	1.03763	HW	346	0	0	0	0.417	
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+350	HW	TIP3	0	5.0187	1.5444	5.1289	HW	349	0	0	0	0.417	
+351	HW	TIP3	0	5.0187	1.5444	4.1209	HW	349	0	0	0	0.417	
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+353	HW	TIP3	0	5.0187	1.5444	8.21216	HW	352	0	0	0	0.417	
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+363	HW	TIP3	0	5.0187	1.5444	16.454	HW	361	0	0	0	0.417	
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+377	HW	TIP3	0	5.0187	1.5444	32.8783	HW	376	0	0	0	0.417	
+378	HW	TIP3	0	5.0187	1.5444	31.8703	HW	376	0	0	0	0.417	
+379	OW	TIP3	0	4.2597	4.6332	1.54163	OW	380	381	0	0	-0.834	
+380	HW	TIP3	0	5.0187	4.6332	2.04563	HW	379	0	0	0	0.417	
+381	HW	TIP3	0	5.0187	4.6332	1.03763	HW	379	0	0	0	0.417	
+382	OW	TIP3	0	4.2597	4.6332	4.6249	OW	383	384	0	0	-0.834	
+383	HW	TIP3	0	5.0187	4.6332	5.1289	HW	382	0	0	0	0.417	
+384	HW	TIP3	0	5.0187	4.6332	4.1209	HW	382	0	0	0	0.417	
+385	OW	TIP3	0	4.2597	4.6332	7.70816	OW	386	387	0	0	-0.834	
+386	HW	TIP3	0	5.0187	4.6332	8.21216	HW	385	0	0	0	0.417	
+387	HW	TIP3	0	5.0187	4.6332	7.20416	HW	385	0	0	0	0.417	
+388	OW	TIP3	0	4.2597	4.6332	10.7914	OW	389	390	0	0	-0.834	
+389	HW	TIP3	0	5.0187	4.6332	11.2954	HW	388	0	0	0	0.417	
+390	HW	TIP3	0	5.0187	4.6332	10.2874	HW	388	0	0	0	0.417	
+391	OW	TIP3	0	4.2597	4.6332	13.8747	OW	392	393	0	0	-0.834	
+392	HW	TIP3	0	5.0187	4.6332	14.3787	HW	391	0	0	0	0.417	
+393	HW	TIP3	0	5.0187	4.6332	13.3707	HW	391	0	0	0	0.417	
+394	OW	TIP3	0	4.2597	4.6332	16.958	OW	395	396	0	0	-0.834	
+395	HW	TIP3	0	5.0187	4.6332	17.4619	HW	394	0	0	0	0.417	
+396	HW	TIP3	0	5.0187	4.6332	16.454	HW	394	0	0	0	0.417	
+397	OW	TIP3	0	4.2597	4.6332	20.0412	OW	398	399	0	0	-0.834	
+398	HW	TIP3	0	5.0187	4.6332	20.5452	HW	397	0	0	0	0.417	
+399	HW	TIP3	0	5.0187	4.6332	19.5372	HW	397	0	0	0	0.417	
+400	OW	TIP3	0	4.2597	4.6332	23.1245	OW	401	402	0	0	-0.834	
+401	HW	TIP3	0	5.0187	4.6332	23.6285	HW	400	0	0	0	0.417	
+402	HW	TIP3	0	5.0187	4.6332	22.6205	HW	400	0	0	0	0.417	
+403	OW	TIP3	0	4.2597	4.6332	26.2077	OW	404	405	0	0	-0.834	
+404	HW	TIP3	0	5.0187	4.6332	26.7117	HW	403	0	0	0	0.417	
+405	HW	TIP3	0	5.0187	4.6332	25.7037	HW	403	0	0	0	0.417	
+406	OW	TIP3	0	4.2597	4.6332	29.291	OW	407	408	0	0	-0.834	
+407	HW	TIP3	0	5.0187	4.6332	29.795	HW	406	0	0	0	0.417	
+408	HW	TIP3	0	5.0187	4.6332	28.787	HW	406	0	0	0	0.417	
+409	OW	TIP3	0	4.2597	4.6332	32.3743	OW	410	411	0	0	-0.834	
+410	HW	TIP3	0	5.0187	4.6332	32.8783	HW	409	0	0	0	0.417	
+411	HW	TIP3	0	5.0187	4.6332	31.8703	HW	409	0	0	0	0.417	
+412	OW	TIP3	0	4.2597	7.722	1.54163	OW	413	414	0	0	-0.834	
+413	HW	TIP3	0	5.0187	7.722	2.04563	HW	412	0	0	0	0.417	
+414	HW	TIP3	0	5.0187	7.722	1.03763	HW	412	0	0	0	0.417	
+415	OW	TIP3	0	4.2597	7.722	4.6249	OW	416	417	0	0	-0.834	
+416	HW	TIP3	0	5.0187	7.722	5.1289	HW	415	0	0	0	0.417	
+417	HW	TIP3	0	5.0187	7.722	4.1209	HW	415	0	0	0	0.417	
+418	OW	TIP3	0	4.2597	7.722	7.70816	OW	419	420	0	0	-0.834	
+419	HW	TIP3	0	5.0187	7.722	8.21216	HW	418	0	0	0	0.417	
+420	HW	TIP3	0	5.0187	7.722	7.20416	HW	418	0	0	0	0.417	
+421	OW	TIP3	0	4.2597	7.722	10.7914	OW	422	423	0	0	-0.834	
+422	HW	TIP3	0	5.0187	7.722	11.2954	HW	421	0	0	0	0.417	
+423	HW	TIP3	0	5.0187	7.722	10.2874	HW	421	0	0	0	0.417	
+424	OW	TIP3	0	4.2597	7.722	13.8747	OW	425	426	0	0	-0.834	
+425	HW	TIP3	0	5.0187	7.722	14.3787	HW	424	0	0	0	0.417	
+426	HW	TIP3	0	5.0187	7.722	13.3707	HW	424	0	0	0	0.417	
+427	OW	TIP3	0	4.2597	7.722	16.958	OW	428	429	0	0	-0.834	
+428	HW	TIP3	0	5.0187	7.722	17.4619	HW	427	0	0	0	0.417	
+429	HW	TIP3	0	5.0187	7.722	16.454	HW	427	0	0	0	0.417	
+430	OW	TIP3	0	4.2597	7.722	20.0412	OW	431	432	0	0	-0.834	
+431	HW	TIP3	0	5.0187	7.722	20.5452	HW	430	0	0	0	0.417	
+432	HW	TIP3	0	5.0187	7.722	19.5372	HW	430	0	0	0	0.417	
+433	OW	TIP3	0	4.2597	7.722	23.1245	OW	434	435	0	0	-0.834	
+434	HW	TIP3	0	5.0187	7.722	23.6285	HW	433	0	0	0	0.417	
+435	HW	TIP3	0	5.0187	7.722	22.6205	HW	433	0	0	0	0.417	
+436	OW	TIP3	0	4.2597	7.722	26.2077	OW	437	438	0	0	-0.834	
+437	HW	TIP3	0	5.0187	7.722	26.7117	HW	436	0	0	0	0.417	
+438	HW	TIP3	0	5.0187	7.722	25.7037	HW	436	0	0	0	0.417	
+439	OW	TIP3	0	4.2597	7.722	29.291	OW	440	441	0	0	-0.834	
+440	HW	TIP3	0	5.0187	7.722	29.795	HW	439	0	0	0	0.417	
+441	HW	TIP3	0	5.0187	7.722	28.787	HW	439	0	0	0	0.417	
+442	OW	TIP3	0	4.2597	7.722	32.3743	OW	443	444	0	0	-0.834	
+443	HW	TIP3	0	5.0187	7.722	32.8783	HW	442	0	0	0	0.417	
+444	HW	TIP3	0	5.0187	7.722	31.8703	HW	442	0	0	0	0.417	
+445	OW	TIP3	0	4.2597	10.8108	1.54163	OW	446	447	0	0	-0.834	
+446	HW	TIP3	0	5.0187	10.8108	2.04563	HW	445	0	0	0	0.417	
+447	HW	TIP3	0	5.0187	10.8108	1.03763	HW	445	0	0	0	0.417	
+448	OW	TIP3	0	4.2597	10.8108	4.6249	OW	449	450	0	0	-0.834	
+449	HW	TIP3	0	5.0187	10.8108	5.1289	HW	448	0	0	0	0.417	
+450	HW	TIP3	0	5.0187	10.8108	4.1209	HW	448	0	0	0	0.417	
+451	OW	TIP3	0	4.2597	10.8108	7.70816	OW	452	453	0	0	-0.834	
+452	HW	TIP3	0	5.0187	10.8108	8.21216	HW	451	0	0	0	0.417	
+453	HW	TIP3	0	5.0187	10.8108	7.20416	HW	451	0	0	0	0.417	
+454	OW	TIP3	0	4.2597	10.8108	10.7914	OW	455	456	0	0	-0.834	
+455	HW	TIP3	0	5.0187	10.8108	11.2954	HW	454	0	0	0	0.417	
+456	HW	TIP3	0	5.0187	10.8108	10.2874	HW	454	0	0	0	0.417	
+457	OW	TIP3	0	4.2597	10.8108	13.8747	OW	458	459	0	0	-0.834	
+458	HW	TIP3	0	5.0187	10.8108	14.3787	HW	457	0	0	0	0.417	
+459	HW	TIP3	0	5.0187	10.8108	13.3707	HW	457	0	0	0	0.417	
+460	OW	TIP3	0	4.2597	10.8108	16.958	OW	461	462	0	0	-0.834	
+461	HW	TIP3	0	5.0187	10.8108	17.4619	HW	460	0	0	0	0.417	
+462	HW	TIP3	0	5.0187	10.8108	16.454	HW	460	0	0	0	0.417	
+463	OW	TIP3	0	4.2597	10.8108	20.0412	OW	464	465	0	0	-0.834	
+464	HW	TIP3	0	5.0187	10.8108	20.5452	HW	463	0	0	0	0.417	
+465	HW	TIP3	0	5.0187	10.8108	19.5372	HW	463	0	0	0	0.417	
+466	OW	TIP3	0	4.2597	10.8108	23.1245	OW	467	468	0	0	-0.834	
+467	HW	TIP3	0	5.0187	10.8108	23.6285	HW	466	0	0	0	0.417	
+468	HW	TIP3	0	5.0187	10.8108	22.6205	HW	466	0	0	0	0.417	
+469	OW	TIP3	0	4.2597	10.8108	26.2077	OW	470	471	0	0	-0.834	
+470	HW	TIP3	0	5.0187	10.8108	26.7117	HW	469	0	0	0	0.417	
+471	HW	TIP3	0	5.0187	10.8108	25.7037	HW	469	0	0	0	0.417	
+472	OW	TIP3	0	4.2597	10.8108	29.291	OW	473	474	0	0	-0.834	
+473	HW	TIP3	0	5.0187	10.8108	29.795	HW	472	0	0	0	0.417	
+474	HW	TIP3	0	5.0187	10.8108	28.787	HW	472	0	0	0	0.417	
+475	OW	TIP3	0	4.2597	10.8108	32.3743	OW	476	477	0	0	-0.834	
+476	HW	TIP3	0	5.0187	10.8108	32.8783	HW	475	0	0	0	0.417	
+477	HW	TIP3	0	5.0187	10.8108	31.8703	HW	475	0	0	0	0.417	
+478	OW	TIP3	0	4.2597	13.8996	1.54163	OW	479	480	0	0	-0.834	
+479	HW	TIP3	0	5.0187	13.8996	2.04563	HW	478	0	0	0	0.417	
+480	HW	TIP3	0	5.0187	13.8996	1.03763	HW	478	0	0	0	0.417	
+481	OW	TIP3	0	4.2597	13.8996	4.6249	OW	482	483	0	0	-0.834	
+482	HW	TIP3	0	5.0187	13.8996	5.1289	HW	481	0	0	0	0.417	
+483	HW	TIP3	0	5.0187	13.8996	4.1209	HW	481	0	0	0	0.417	
+484	OW	TIP3	0	4.2597	13.8996	7.70816	OW	485	486	0	0	-0.834	
+485	HW	TIP3	0	5.0187	13.8996	8.21216	HW	484	0	0	0	0.417	
+486	HW	TIP3	0	5.0187	13.8996	7.20416	HW	484	0	0	0	0.417	
+487	OW	TIP3	0	4.2597	13.8996	10.7914	OW	488	489	0	0	-0.834	
+488	HW	TIP3	0	5.0187	13.8996	11.2954	HW	487	0	0	0	0.417	
+489	HW	TIP3	0	5.0187	13.8996	10.2874	HW	487	0	0	0	0.417	
+490	OW	TIP3	0	4.2597	13.8996	13.8747	OW	491	492	0	0	-0.834	
+491	HW	TIP3	0	5.0187	13.8996	14.3787	HW	490	0	0	0	0.417	
+492	HW	TIP3	0	5.0187	13.8996	13.3707	HW	490	0	0	0	0.417	
+493	OW	TIP3	0	4.2597	13.8996	16.958	OW	494	495	0	0	-0.834	
+494	HW	TIP3	0	5.0187	13.8996	17.4619	HW	493	0	0	0	0.417	
+495	HW	TIP3	0	5.0187	13.8996	16.454	HW	493	0	0	0	0.417	
+496	OW	TIP3	0	4.2597	13.8996	20.0412	OW	497	498	0	0	-0.834	
+497	HW	TIP3	0	5.0187	13.8996	20.5452	HW	496	0	0	0	0.417	
+498	HW	TIP3	0	5.0187	13.8996	19.5372	HW	496	0	0	0	0.417	
+499	OW	TIP3	0	4.2597	13.8996	23.1245	OW	500	501	0	0	-0.834	
+500	HW	TIP3	0	5.0187	13.8996	23.6285	HW	499	0	0	0	0.417	
+501	HW	TIP3	0	5.0187	13.8996	22.6205	HW	499	0	0	0	0.417	
+502	OW	TIP3	0	4.2597	13.8996	26.2077	OW	503	504	0	0	-0.834	
+503	HW	TIP3	0	5.0187	13.8996	26.7117	HW	502	0	0	0	0.417	
+504	HW	TIP3	0	5.0187	13.8996	25.7037	HW	502	0	0	0	0.417	
+505	OW	TIP3	0	4.2597	13.8996	29.291	OW	506	507	0	0	-0.834	
+506	HW	TIP3	0	5.0187	13.8996	29.795	HW	505	0	0	0	0.417	
+507	HW	TIP3	0	5.0187	13.8996	28.787	HW	505	0	0	0	0.417	
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+509	HW	TIP3	0	5.0187	13.8996	32.8783	HW	508	0	0	0	0.417	
+510	HW	TIP3	0	5.0187	13.8996	31.8703	HW	508	0	0	0	0.417	
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+512	HW	TIP3	0	5.0187	16.9884	2.04563	HW	511	0	0	0	0.417	
+513	HW	TIP3	0	5.0187	16.9884	1.03763	HW	511	0	0	0	0.417	
+514	OW	TIP3	0	4.2597	16.9884	4.6249	OW	515	516	0	0	-0.834	
+515	HW	TIP3	0	5.0187	16.9884	5.1289	HW	514	0	0	0	0.417	
+516	HW	TIP3	0	5.0187	16.9884	4.1209	HW	514	0	0	0	0.417	
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+518	HW	TIP3	0	5.0187	16.9884	8.21216	HW	517	0	0	0	0.417	
+519	HW	TIP3	0	5.0187	16.9884	7.20416	HW	517	0	0	0	0.417	
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+522	HW	TIP3	0	5.0187	16.9884	10.2874	HW	520	0	0	0	0.417	
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+524	HW	TIP3	0	5.0187	16.9884	14.3787	HW	523	0	0	0	0.417	
+525	HW	TIP3	0	5.0187	16.9884	13.3707	HW	523	0	0	0	0.417	
+526	OW	TIP3	0	4.2597	16.9884	16.958	OW	527	528	0	0	-0.834	
+527	HW	TIP3	0	5.0187	16.9884	17.4619	HW	526	0	0	0	0.417	
+528	HW	TIP3	0	5.0187	16.9884	16.454	HW	526	0	0	0	0.417	
+529	OW	TIP3	0	4.2597	16.9884	20.0412	OW	530	531	0	0	-0.834	
+530	HW	TIP3	0	5.0187	16.9884	20.5452	HW	529	0	0	0	0.417	
+531	HW	TIP3	0	5.0187	16.9884	19.5372	HW	529	0	0	0	0.417	
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+533	HW	TIP3	0	5.0187	16.9884	23.6285	HW	532	0	0	0	0.417	
+534	HW	TIP3	0	5.0187	16.9884	22.6205	HW	532	0	0	0	0.417	
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+536	HW	TIP3	0	5.0187	16.9884	26.7117	HW	535	0	0	0	0.417	
+537	HW	TIP3	0	5.0187	16.9884	25.7037	HW	535	0	0	0	0.417	
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+539	HW	TIP3	0	5.0187	16.9884	29.795	HW	538	0	0	0	0.417	
+540	HW	TIP3	0	5.0187	16.9884	28.787	HW	538	0	0	0	0.417	
+541	OW	TIP3	0	4.2597	16.9884	32.3743	OW	542	543	0	0	-0.834	
+542	HW	TIP3	0	5.0187	16.9884	32.8783	HW	541	0	0	0	0.417	
+543	HW	TIP3	0	5.0187	16.9884	31.8703	HW	541	0	0	0	0.417	
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+555	HW	TIP3	0	5.0187	20.0772	10.2874	HW	553	0	0	0	0.417	
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+563	HW	TIP3	0	5.0187	20.0772	20.5452	HW	562	0	0	0	0.417	
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+566	HW	TIP3	0	5.0187	20.0772	23.6285	HW	565	0	0	0	0.417	
+567	HW	TIP3	0	5.0187	20.0772	22.6205	HW	565	0	0	0	0.417	
+568	OW	TIP3	0	4.2597	20.0772	26.2077	OW	569	570	0	0	-0.834	
+569	HW	TIP3	0	5.0187	20.0772	26.7117	HW	568	0	0	0	0.417	
+570	HW	TIP3	0	5.0187	20.0772	25.7037	HW	568	0	0	0	0.417	
+571	OW	TIP3	0	4.2597	20.0772	29.291	OW	572	573	0	0	-0.834	
+572	HW	TIP3	0	5.0187	20.0772	29.795	HW	571	0	0	0	0.417	
+573	HW	TIP3	0	5.0187	20.0772	28.787	HW	571	0	0	0	0.417	
+574	OW	TIP3	0	4.2597	20.0772	32.3743	OW	575	576	0	0	-0.834	
+575	HW	TIP3	0	5.0187	20.0772	32.8783	HW	574	0	0	0	0.417	
+576	HW	TIP3	0	5.0187	20.0772	31.8703	HW	574	0	0	0	0.417	
+577	OW	TIP3	0	7.0995	1.5444	1.54163	OW	578	579	0	0	-0.834	
+578	HW	TIP3	0	7.8585	1.5444	2.04563	HW	577	0	0	0	0.417	
+579	HW	TIP3	0	7.8585	1.5444	1.03763	HW	577	0	0	0	0.417	
+580	OW	TIP3	0	7.0995	1.5444	4.6249	OW	581	582	0	0	-0.834	
+581	HW	TIP3	0	7.8585	1.5444	5.1289	HW	580	0	0	0	0.417	
+582	HW	TIP3	0	7.8585	1.5444	4.1209	HW	580	0	0	0	0.417	
+583	OW	TIP3	0	7.0995	1.5444	7.70816	OW	584	585	0	0	-0.834	
+584	HW	TIP3	0	7.8585	1.5444	8.21216	HW	583	0	0	0	0.417	
+585	HW	TIP3	0	7.8585	1.5444	7.20416	HW	583	0	0	0	0.417	
+586	OW	TIP3	0	7.0995	1.5444	10.7914	OW	587	588	0	0	-0.834	
+587	HW	TIP3	0	7.8585	1.5444	11.2954	HW	586	0	0	0	0.417	
+588	HW	TIP3	0	7.8585	1.5444	10.2874	HW	586	0	0	0	0.417	
+589	OW	TIP3	0	7.0995	1.5444	13.8747	OW	590	591	0	0	-0.834	
+590	HW	TIP3	0	7.8585	1.5444	14.3787	HW	589	0	0	0	0.417	
+591	HW	TIP3	0	7.8585	1.5444	13.3707	HW	589	0	0	0	0.417	
+592	OW	TIP3	0	7.0995	1.5444	16.958	OW	593	594	0	0	-0.834	
+593	HW	TIP3	0	7.8585	1.5444	17.4619	HW	592	0	0	0	0.417	
+594	HW	TIP3	0	7.8585	1.5444	16.454	HW	592	0	0	0	0.417	
+595	OW	TIP3	0	7.0995	1.5444	20.0412	OW	596	597	0	0	-0.834	
+596	HW	TIP3	0	7.8585	1.5444	20.5452	HW	595	0	0	0	0.417	
+597	HW	TIP3	0	7.8585	1.5444	19.5372	HW	595	0	0	0	0.417	
+598	OW	TIP3	0	7.0995	1.5444	23.1245	OW	599	600	0	0	-0.834	
+599	HW	TIP3	0	7.8585	1.5444	23.6285	HW	598	0	0	0	0.417	
+600	HW	TIP3	0	7.8585	1.5444	22.6205	HW	598	0	0	0	0.417	
+601	OW	TIP3	0	7.0995	1.5444	26.2077	OW	602	603	0	0	-0.834	
+602	HW	TIP3	0	7.8585	1.5444	26.7117	HW	601	0	0	0	0.417	
+603	HW	TIP3	0	7.8585	1.5444	25.7037	HW	601	0	0	0	0.417	
+604	OW	TIP3	0	7.0995	1.5444	29.291	OW	605	606	0	0	-0.834	
+605	HW	TIP3	0	7.8585	1.5444	29.795	HW	604	0	0	0	0.417	
+606	HW	TIP3	0	7.8585	1.5444	28.787	HW	604	0	0	0	0.417	
+607	OW	TIP3	0	7.0995	1.5444	32.3743	OW	608	609	0	0	-0.834	
+608	HW	TIP3	0	7.8585	1.5444	32.8783	HW	607	0	0	0	0.417	
+609	HW	TIP3	0	7.8585	1.5444	31.8703	HW	607	0	0	0	0.417	
+610	OW	TIP3	0	7.0995	4.6332	1.54163	OW	611	612	0	0	-0.834	
+611	HW	TIP3	0	7.8585	4.6332	2.04563	HW	610	0	0	0	0.417	
+612	HW	TIP3	0	7.8585	4.6332	1.03763	HW	610	0	0	0	0.417	
+613	OW	TIP3	0	7.0995	4.6332	4.6249	OW	614	615	0	0	-0.834	
+614	HW	TIP3	0	7.8585	4.6332	5.1289	HW	613	0	0	0	0.417	
+615	HW	TIP3	0	7.8585	4.6332	4.1209	HW	613	0	0	0	0.417	
+616	OW	TIP3	0	7.0995	4.6332	7.70816	OW	617	618	0	0	-0.834	
+617	HW	TIP3	0	7.8585	4.6332	8.21216	HW	616	0	0	0	0.417	
+618	HW	TIP3	0	7.8585	4.6332	7.20416	HW	616	0	0	0	0.417	
+619	OW	TIP3	0	7.0995	4.6332	10.7914	OW	620	621	0	0	-0.834	
+620	HW	TIP3	0	7.8585	4.6332	11.2954	HW	619	0	0	0	0.417	
+621	HW	TIP3	0	7.8585	4.6332	10.2874	HW	619	0	0	0	0.417	
+622	OW	TIP3	0	7.0995	4.6332	13.8747	OW	623	624	0	0	-0.834	
+623	HW	TIP3	0	7.8585	4.6332	14.3787	HW	622	0	0	0	0.417	
+624	HW	TIP3	0	7.8585	4.6332	13.3707	HW	622	0	0	0	0.417	
+625	OW	TIP3	0	7.0995	4.6332	16.958	OW	626	627	0	0	-0.834	
+626	HW	TIP3	0	7.8585	4.6332	17.4619	HW	625	0	0	0	0.417	
+627	HW	TIP3	0	7.8585	4.6332	16.454	HW	625	0	0	0	0.417	
+628	OW	TIP3	0	7.0995	4.6332	20.0412	OW	629	630	0	0	-0.834	
+629	HW	TIP3	0	7.8585	4.6332	20.5452	HW	628	0	0	0	0.417	
+630	HW	TIP3	0	7.8585	4.6332	19.5372	HW	628	0	0	0	0.417	
+631	OW	TIP3	0	7.0995	4.6332	23.1245	OW	632	633	0	0	-0.834	
+632	HW	TIP3	0	7.8585	4.6332	23.6285	HW	631	0	0	0	0.417	
+633	HW	TIP3	0	7.8585	4.6332	22.6205	HW	631	0	0	0	0.417	
+634	OW	TIP3	0	7.0995	4.6332	26.2077	OW	635	636	0	0	-0.834	
+635	HW	TIP3	0	7.8585	4.6332	26.7117	HW	634	0	0	0	0.417	
+636	HW	TIP3	0	7.8585	4.6332	25.7037	HW	634	0	0	0	0.417	
+637	OW	TIP3	0	7.0995	4.6332	29.291	OW	638	639	0	0	-0.834	
+638	HW	TIP3	0	7.8585	4.6332	29.795	HW	637	0	0	0	0.417	
+639	HW	TIP3	0	7.8585	4.6332	28.787	HW	637	0	0	0	0.417	
+640	OW	TIP3	0	7.0995	4.6332	32.3743	OW	641	642	0	0	-0.834	
+641	HW	TIP3	0	7.8585	4.6332	32.8783	HW	640	0	0	0	0.417	
+642	HW	TIP3	0	7.8585	4.6332	31.8703	HW	640	0	0	0	0.417	
+643	OW	TIP3	0	7.0995	7.722	1.54163	OW	644	645	0	0	-0.834	
+644	HW	TIP3	0	7.8585	7.722	2.04563	HW	643	0	0	0	0.417	
+645	HW	TIP3	0	7.8585	7.722	1.03763	HW	643	0	0	0	0.417	
+646	OW	TIP3	0	7.0995	7.722	4.6249	OW	647	648	0	0	-0.834	
+647	HW	TIP3	0	7.8585	7.722	5.1289	HW	646	0	0	0	0.417	
+648	HW	TIP3	0	7.8585	7.722	4.1209	HW	646	0	0	0	0.417	
+649	OW	TIP3	0	7.0995	7.722	7.70816	OW	650	651	0	0	-0.834	
+650	HW	TIP3	0	7.8585	7.722	8.21216	HW	649	0	0	0	0.417	
+651	HW	TIP3	0	7.8585	7.722	7.20416	HW	649	0	0	0	0.417	
+652	OW	TIP3	0	7.0995	7.722	32.3743	OW	653	654	0	0	-0.834	
+653	HW	TIP3	0	7.8585	7.722	32.8783	HW	652	0	0	0	0.417	
+654	HW	TIP3	0	7.8585	7.722	31.8703	HW	652	0	0	0	0.417	
+655	OW	TIP3	0	7.0995	10.8108	1.54163	OW	656	657	0	0	-0.834	
+656	HW	TIP3	0	7.8585	10.8108	2.04563	HW	655	0	0	0	0.417	
+657	HW	TIP3	0	7.8585	10.8108	1.03763	HW	655	0	0	0	0.417	
+658	OW	TIP3	0	7.0995	10.8108	4.6249	OW	659	660	0	0	-0.834	
+659	HW	TIP3	0	7.8585	10.8108	5.1289	HW	658	0	0	0	0.417	
+660	HW	TIP3	0	7.8585	10.8108	4.1209	HW	658	0	0	0	0.417	
+661	OW	TIP3	0	7.0995	10.8108	29.291	OW	662	663	0	0	-0.834	
+662	HW	TIP3	0	7.8585	10.8108	29.795	HW	661	0	0	0	0.417	
+663	HW	TIP3	0	7.8585	10.8108	28.787	HW	661	0	0	0	0.417	
+664	OW	TIP3	0	7.0995	10.8108	32.3743	OW	665	666	0	0	-0.834	
+665	HW	TIP3	0	7.8585	10.8108	32.8783	HW	664	0	0	0	0.417	
+666	HW	TIP3	0	7.8585	10.8108	31.8703	HW	664	0	0	0	0.417	
+667	OW	TIP3	0	7.0995	13.8996	1.54163	OW	668	669	0	0	-0.834	
+668	HW	TIP3	0	7.8585	13.8996	2.04563	HW	667	0	0	0	0.417	
+669	HW	TIP3	0	7.8585	13.8996	1.03763	HW	667	0	0	0	0.417	
+670	OW	TIP3	0	7.0995	13.8996	4.6249	OW	671	672	0	0	-0.834	
+671	HW	TIP3	0	7.8585	13.8996	5.1289	HW	670	0	0	0	0.417	
+672	HW	TIP3	0	7.8585	13.8996	4.1209	HW	670	0	0	0	0.417	
+673	OW	TIP3	0	7.0995	13.8996	20.0412	OW	674	675	0	0	-0.834	
+674	HW	TIP3	0	7.8585	13.8996	20.5452	HW	673	0	0	0	0.417	
+675	HW	TIP3	0	7.8585	13.8996	19.5372	HW	673	0	0	0	0.417	
+676	OW	TIP3	0	7.0995	13.8996	23.1245	OW	677	678	0	0	-0.834	
+677	HW	TIP3	0	7.8585	13.8996	23.6285	HW	676	0	0	0	0.417	
+678	HW	TIP3	0	7.8585	13.8996	22.6205	HW	676	0	0	0	0.417	
+679	OW	TIP3	0	7.0995	13.8996	26.2077	OW	680	681	0	0	-0.834	
+680	HW	TIP3	0	7.8585	13.8996	26.7117	HW	679	0	0	0	0.417	
+681	HW	TIP3	0	7.8585	13.8996	25.7037	HW	679	0	0	0	0.417	
+682	OW	TIP3	0	7.0995	13.8996	29.291	OW	683	684	0	0	-0.834	
+683	HW	TIP3	0	7.8585	13.8996	29.795	HW	682	0	0	0	0.417	
+684	HW	TIP3	0	7.8585	13.8996	28.787	HW	682	0	0	0	0.417	
+685	OW	TIP3	0	7.0995	13.8996	32.3743	OW	686	687	0	0	-0.834	
+686	HW	TIP3	0	7.8585	13.8996	32.8783	HW	685	0	0	0	0.417	
+687	HW	TIP3	0	7.8585	13.8996	31.8703	HW	685	0	0	0	0.417	
+688	OW	TIP3	0	7.0995	16.9884	1.54163	OW	689	690	0	0	-0.834	
+689	HW	TIP3	0	7.8585	16.9884	2.04563	HW	688	0	0	0	0.417	
+690	HW	TIP3	0	7.8585	16.9884	1.03763	HW	688	0	0	0	0.417	
+691	OW	TIP3	0	7.0995	16.9884	4.6249	OW	692	693	0	0	-0.834	
+692	HW	TIP3	0	7.8585	16.9884	5.1289	HW	691	0	0	0	0.417	
+693	HW	TIP3	0	7.8585	16.9884	4.1209	HW	691	0	0	0	0.417	
+694	OW	TIP3	0	7.0995	16.9884	7.70816	OW	695	696	0	0	-0.834	
+695	HW	TIP3	0	7.8585	16.9884	8.21216	HW	694	0	0	0	0.417	
+696	HW	TIP3	0	7.8585	16.9884	7.20416	HW	694	0	0	0	0.417	
+697	OW	TIP3	0	7.0995	16.9884	10.7914	OW	698	699	0	0	-0.834	
+698	HW	TIP3	0	7.8585	16.9884	11.2954	HW	697	0	0	0	0.417	
+699	HW	TIP3	0	7.8585	16.9884	10.2874	HW	697	0	0	0	0.417	
+700	OW	TIP3	0	7.0995	16.9884	13.8747	OW	701	702	0	0	-0.834	
+701	HW	TIP3	0	7.8585	16.9884	14.3787	HW	700	0	0	0	0.417	
+702	HW	TIP3	0	7.8585	16.9884	13.3707	HW	700	0	0	0	0.417	
+703	OW	TIP3	0	7.0995	16.9884	16.958	OW	704	705	0	0	-0.834	
+704	HW	TIP3	0	7.8585	16.9884	17.4619	HW	703	0	0	0	0.417	
+705	HW	TIP3	0	7.8585	16.9884	16.454	HW	703	0	0	0	0.417	
+706	OW	TIP3	0	7.0995	16.9884	20.0412	OW	707	708	0	0	-0.834	
+707	HW	TIP3	0	7.8585	16.9884	20.5452	HW	706	0	0	0	0.417	
+708	HW	TIP3	0	7.8585	16.9884	19.5372	HW	706	0	0	0	0.417	
+709	OW	TIP3	0	7.0995	16.9884	23.1245	OW	710	711	0	0	-0.834	
+710	HW	TIP3	0	7.8585	16.9884	23.6285	HW	709	0	0	0	0.417	
+711	HW	TIP3	0	7.8585	16.9884	22.6205	HW	709	0	0	0	0.417	
+712	OW	TIP3	0	7.0995	16.9884	26.2077	OW	713	714	0	0	-0.834	
+713	HW	TIP3	0	7.8585	16.9884	26.7117	HW	712	0	0	0	0.417	
+714	HW	TIP3	0	7.8585	16.9884	25.7037	HW	712	0	0	0	0.417	
+715	OW	TIP3	0	7.0995	16.9884	29.291	OW	716	717	0	0	-0.834	
+716	HW	TIP3	0	7.8585	16.9884	29.795	HW	715	0	0	0	0.417	
+717	HW	TIP3	0	7.8585	16.9884	28.787	HW	715	0	0	0	0.417	
+718	OW	TIP3	0	7.0995	16.9884	32.3743	OW	719	720	0	0	-0.834	
+719	HW	TIP3	0	7.8585	16.9884	32.8783	HW	718	0	0	0	0.417	
+720	HW	TIP3	0	7.8585	16.9884	31.8703	HW	718	0	0	0	0.417	
+721	OW	TIP3	0	7.0995	20.0772	1.54163	OW	722	723	0	0	-0.834	
+722	HW	TIP3	0	7.8585	20.0772	2.04563	HW	721	0	0	0	0.417	
+723	HW	TIP3	0	7.8585	20.0772	1.03763	HW	721	0	0	0	0.417	
+724	OW	TIP3	0	7.0995	20.0772	4.6249	OW	725	726	0	0	-0.834	
+725	HW	TIP3	0	7.8585	20.0772	5.1289	HW	724	0	0	0	0.417	
+726	HW	TIP3	0	7.8585	20.0772	4.1209	HW	724	0	0	0	0.417	
+727	OW	TIP3	0	7.0995	20.0772	7.70816	OW	728	729	0	0	-0.834	
+728	HW	TIP3	0	7.8585	20.0772	8.21216	HW	727	0	0	0	0.417	
+729	HW	TIP3	0	7.8585	20.0772	7.20416	HW	727	0	0	0	0.417	
+730	OW	TIP3	0	7.0995	20.0772	10.7914	OW	731	732	0	0	-0.834	
+731	HW	TIP3	0	7.8585	20.0772	11.2954	HW	730	0	0	0	0.417	
+732	HW	TIP3	0	7.8585	20.0772	10.2874	HW	730	0	0	0	0.417	
+733	OW	TIP3	0	7.0995	20.0772	13.8747	OW	734	735	0	0	-0.834	
+734	HW	TIP3	0	7.8585	20.0772	14.3787	HW	733	0	0	0	0.417	
+735	HW	TIP3	0	7.8585	20.0772	13.3707	HW	733	0	0	0	0.417	
+736	OW	TIP3	0	7.0995	20.0772	16.958	OW	737	738	0	0	-0.834	
+737	HW	TIP3	0	7.8585	20.0772	17.4619	HW	736	0	0	0	0.417	
+738	HW	TIP3	0	7.8585	20.0772	16.454	HW	736	0	0	0	0.417	
+739	OW	TIP3	0	7.0995	20.0772	20.0412	OW	740	741	0	0	-0.834	
+740	HW	TIP3	0	7.8585	20.0772	20.5452	HW	739	0	0	0	0.417	
+741	HW	TIP3	0	7.8585	20.0772	19.5372	HW	739	0	0	0	0.417	
+742	OW	TIP3	0	7.0995	20.0772	23.1245	OW	743	744	0	0	-0.834	
+743	HW	TIP3	0	7.8585	20.0772	23.6285	HW	742	0	0	0	0.417	
+744	HW	TIP3	0	7.8585	20.0772	22.6205	HW	742	0	0	0	0.417	
+745	OW	TIP3	0	7.0995	20.0772	26.2077	OW	746	747	0	0	-0.834	
+746	HW	TIP3	0	7.8585	20.0772	26.7117	HW	745	0	0	0	0.417	
+747	HW	TIP3	0	7.8585	20.0772	25.7037	HW	745	0	0	0	0.417	
+748	OW	TIP3	0	7.0995	20.0772	29.291	OW	749	750	0	0	-0.834	
+749	HW	TIP3	0	7.8585	20.0772	29.795	HW	748	0	0	0	0.417	
+750	HW	TIP3	0	7.8585	20.0772	28.787	HW	748	0	0	0	0.417	
+751	OW	TIP3	0	7.0995	20.0772	32.3743	OW	752	753	0	0	-0.834	
+752	HW	TIP3	0	7.8585	20.0772	32.8783	HW	751	0	0	0	0.417	
+753	HW	TIP3	0	7.8585	20.0772	31.8703	HW	751	0	0	0	0.417	
+754	OW	TIP3	0	9.9393	1.5444	1.54163	OW	755	756	0	0	-0.834	
+755	HW	TIP3	0	10.6983	1.5444	2.04563	HW	754	0	0	0	0.417	
+756	HW	TIP3	0	10.6983	1.5444	1.03763	HW	754	0	0	0	0.417	
+757	OW	TIP3	0	9.9393	1.5444	4.6249	OW	758	759	0	0	-0.834	
+758	HW	TIP3	0	10.6983	1.5444	5.1289	HW	757	0	0	0	0.417	
+759	HW	TIP3	0	10.6983	1.5444	4.1209	HW	757	0	0	0	0.417	
+760	OW	TIP3	0	9.9393	1.5444	7.70816	OW	761	762	0	0	-0.834	
+761	HW	TIP3	0	10.6983	1.5444	8.21216	HW	760	0	0	0	0.417	
+762	HW	TIP3	0	10.6983	1.5444	7.20416	HW	760	0	0	0	0.417	
+763	OW	TIP3	0	9.9393	1.5444	10.7914	OW	764	765	0	0	-0.834	
+764	HW	TIP3	0	10.6983	1.5444	11.2954	HW	763	0	0	0	0.417	
+765	HW	TIP3	0	10.6983	1.5444	10.2874	HW	763	0	0	0	0.417	
+766	OW	TIP3	0	9.9393	1.5444	13.8747	OW	767	768	0	0	-0.834	
+767	HW	TIP3	0	10.6983	1.5444	14.3787	HW	766	0	0	0	0.417	
+768	HW	TIP3	0	10.6983	1.5444	13.3707	HW	766	0	0	0	0.417	
+769	OW	TIP3	0	9.9393	1.5444	16.958	OW	770	771	0	0	-0.834	
+770	HW	TIP3	0	10.6983	1.5444	17.4619	HW	769	0	0	0	0.417	
+771	HW	TIP3	0	10.6983	1.5444	16.454	HW	769	0	0	0	0.417	
+772	OW	TIP3	0	9.9393	1.5444	20.0412	OW	773	774	0	0	-0.834	
+773	HW	TIP3	0	10.6983	1.5444	20.5452	HW	772	0	0	0	0.417	
+774	HW	TIP3	0	10.6983	1.5444	19.5372	HW	772	0	0	0	0.417	
+775	OW	TIP3	0	9.9393	1.5444	23.1245	OW	776	777	0	0	-0.834	
+776	HW	TIP3	0	10.6983	1.5444	23.6285	HW	775	0	0	0	0.417	
+777	HW	TIP3	0	10.6983	1.5444	22.6205	HW	775	0	0	0	0.417	
+778	OW	TIP3	0	9.9393	1.5444	26.2077	OW	779	780	0	0	-0.834	
+779	HW	TIP3	0	10.6983	1.5444	26.7117	HW	778	0	0	0	0.417	
+780	HW	TIP3	0	10.6983	1.5444	25.7037	HW	778	0	0	0	0.417	
+781	OW	TIP3	0	9.9393	1.5444	29.291	OW	782	783	0	0	-0.834	
+782	HW	TIP3	0	10.6983	1.5444	29.795	HW	781	0	0	0	0.417	
+783	HW	TIP3	0	10.6983	1.5444	28.787	HW	781	0	0	0	0.417	
+784	OW	TIP3	0	9.9393	1.5444	32.3743	OW	785	786	0	0	-0.834	
+785	HW	TIP3	0	10.6983	1.5444	32.8783	HW	784	0	0	0	0.417	
+786	HW	TIP3	0	10.6983	1.5444	31.8703	HW	784	0	0	0	0.417	
+787	OW	TIP3	0	9.9393	4.6332	1.54163	OW	788	789	0	0	-0.834	
+788	HW	TIP3	0	10.6983	4.6332	2.04563	HW	787	0	0	0	0.417	
+789	HW	TIP3	0	10.6983	4.6332	1.03763	HW	787	0	0	0	0.417	
+790	OW	TIP3	0	9.9393	4.6332	4.6249	OW	791	792	0	0	-0.834	
+791	HW	TIP3	0	10.6983	4.6332	5.1289	HW	790	0	0	0	0.417	
+792	HW	TIP3	0	10.6983	4.6332	4.1209	HW	790	0	0	0	0.417	
+793	OW	TIP3	0	9.9393	4.6332	7.70816	OW	794	795	0	0	-0.834	
+794	HW	TIP3	0	10.6983	4.6332	8.21216	HW	793	0	0	0	0.417	
+795	HW	TIP3	0	10.6983	4.6332	7.20416	HW	793	0	0	0	0.417	
+796	OW	TIP3	0	9.9393	4.6332	10.7914	OW	797	798	0	0	-0.834	
+797	HW	TIP3	0	10.6983	4.6332	11.2954	HW	796	0	0	0	0.417	
+798	HW	TIP3	0	10.6983	4.6332	10.2874	HW	796	0	0	0	0.417	
+799	OW	TIP3	0	9.9393	4.6332	13.8747	OW	800	801	0	0	-0.834	
+800	HW	TIP3	0	10.6983	4.6332	14.3787	HW	799	0	0	0	0.417	
+801	HW	TIP3	0	10.6983	4.6332	13.3707	HW	799	0	0	0	0.417	
+802	OW	TIP3	0	9.9393	4.6332	16.958	OW	803	804	0	0	-0.834	
+803	HW	TIP3	0	10.6983	4.6332	17.4619	HW	802	0	0	0	0.417	
+804	HW	TIP3	0	10.6983	4.6332	16.454	HW	802	0	0	0	0.417	
+805	OW	TIP3	0	9.9393	4.6332	20.0412	OW	806	807	0	0	-0.834	
+806	HW	TIP3	0	10.6983	4.6332	20.5452	HW	805	0	0	0	0.417	
+807	HW	TIP3	0	10.6983	4.6332	19.5372	HW	805	0	0	0	0.417	
+808	OW	TIP3	0	9.9393	4.6332	23.1245	OW	809	810	0	0	-0.834	
+809	HW	TIP3	0	10.6983	4.6332	23.6285	HW	808	0	0	0	0.417	
+810	HW	TIP3	0	10.6983	4.6332	22.6205	HW	808	0	0	0	0.417	
+811	OW	TIP3	0	9.9393	4.6332	26.2077	OW	812	813	0	0	-0.834	
+812	HW	TIP3	0	10.6983	4.6332	26.7117	HW	811	0	0	0	0.417	
+813	HW	TIP3	0	10.6983	4.6332	25.7037	HW	811	0	0	0	0.417	
+814	OW	TIP3	0	9.9393	4.6332	29.291	OW	815	816	0	0	-0.834	
+815	HW	TIP3	0	10.6983	4.6332	29.795	HW	814	0	0	0	0.417	
+816	HW	TIP3	0	10.6983	4.6332	28.787	HW	814	0	0	0	0.417	
+817	OW	TIP3	0	9.9393	4.6332	32.3743	OW	818	819	0	0	-0.834	
+818	HW	TIP3	0	10.6983	4.6332	32.8783	HW	817	0	0	0	0.417	
+819	HW	TIP3	0	10.6983	4.6332	31.8703	HW	817	0	0	0	0.417	
+820	OW	TIP3	0	9.9393	7.722	1.54163	OW	821	822	0	0	-0.834	
+821	HW	TIP3	0	10.6983	7.722	2.04563	HW	820	0	0	0	0.417	
+822	HW	TIP3	0	10.6983	7.722	1.03763	HW	820	0	0	0	0.417	
+823	OW	TIP3	0	9.9393	7.722	4.6249	OW	824	825	0	0	-0.834	
+824	HW	TIP3	0	10.6983	7.722	5.1289	HW	823	0	0	0	0.417	
+825	HW	TIP3	0	10.6983	7.722	4.1209	HW	823	0	0	0	0.417	
+826	OW	TIP3	0	9.9393	7.722	7.70816	OW	827	828	0	0	-0.834	
+827	HW	TIP3	0	10.6983	7.722	8.21216	HW	826	0	0	0	0.417	
+828	HW	TIP3	0	10.6983	7.722	7.20416	HW	826	0	0	0	0.417	
+829	OW	TIP3	0	9.9393	7.722	10.7914	OW	830	831	0	0	-0.834	
+830	HW	TIP3	0	10.6983	7.722	11.2954	HW	829	0	0	0	0.417	
+831	HW	TIP3	0	10.6983	7.722	10.2874	HW	829	0	0	0	0.417	
+832	OW	TIP3	0	9.9393	7.722	13.8747	OW	833	834	0	0	-0.834	
+833	HW	TIP3	0	10.6983	7.722	14.3787	HW	832	0	0	0	0.417	
+834	HW	TIP3	0	10.6983	7.722	13.3707	HW	832	0	0	0	0.417	
+835	OW	TIP3	0	9.9393	7.722	16.958	OW	836	837	0	0	-0.834	
+836	HW	TIP3	0	10.6983	7.722	17.4619	HW	835	0	0	0	0.417	
+837	HW	TIP3	0	10.6983	7.722	16.454	HW	835	0	0	0	0.417	
+838	OW	TIP3	0	9.9393	7.722	20.0412	OW	839	840	0	0	-0.834	
+839	HW	TIP3	0	10.6983	7.722	20.5452	HW	838	0	0	0	0.417	
+840	HW	TIP3	0	10.6983	7.722	19.5372	HW	838	0	0	0	0.417	
+841	OW	TIP3	0	9.9393	7.722	23.1245	OW	842	843	0	0	-0.834	
+842	HW	TIP3	0	10.6983	7.722	23.6285	HW	841	0	0	0	0.417	
+843	HW	TIP3	0	10.6983	7.722	22.6205	HW	841	0	0	0	0.417	
+844	OW	TIP3	0	9.9393	7.722	26.2077	OW	845	846	0	0	-0.834	
+845	HW	TIP3	0	10.6983	7.722	26.7117	HW	844	0	0	0	0.417	
+846	HW	TIP3	0	10.6983	7.722	25.7037	HW	844	0	0	0	0.417	
+847	OW	TIP3	0	9.9393	7.722	29.291	OW	848	849	0	0	-0.834	
+848	HW	TIP3	0	10.6983	7.722	29.795	HW	847	0	0	0	0.417	
+849	HW	TIP3	0	10.6983	7.722	28.787	HW	847	0	0	0	0.417	
+850	OW	TIP3	0	9.9393	7.722	32.3743	OW	851	852	0	0	-0.834	
+851	HW	TIP3	0	10.6983	7.722	32.8783	HW	850	0	0	0	0.417	
+852	HW	TIP3	0	10.6983	7.722	31.8703	HW	850	0	0	0	0.417	
+853	OW	TIP3	0	9.9393	10.8108	1.54163	OW	854	855	0	0	-0.834	
+854	HW	TIP3	0	10.6983	10.8108	2.04563	HW	853	0	0	0	0.417	
+855	HW	TIP3	0	10.6983	10.8108	1.03763	HW	853	0	0	0	0.417	
+856	OW	TIP3	0	9.9393	10.8108	4.6249	OW	857	858	0	0	-0.834	
+857	HW	TIP3	0	10.6983	10.8108	5.1289	HW	856	0	0	0	0.417	
+858	HW	TIP3	0	10.6983	10.8108	4.1209	HW	856	0	0	0	0.417	
+859	OW	TIP3	0	9.9393	10.8108	7.70816	OW	860	861	0	0	-0.834	
+860	HW	TIP3	0	10.6983	10.8108	8.21216	HW	859	0	0	0	0.417	
+861	HW	TIP3	0	10.6983	10.8108	7.20416	HW	859	0	0	0	0.417	
+862	OW	TIP3	0	9.9393	10.8108	10.7914	OW	863	864	0	0	-0.834	
+863	HW	TIP3	0	10.6983	10.8108	11.2954	HW	862	0	0	0	0.417	
+864	HW	TIP3	0	10.6983	10.8108	10.2874	HW	862	0	0	0	0.417	
+865	OW	TIP3	0	9.9393	10.8108	13.8747	OW	866	867	0	0	-0.834	
+866	HW	TIP3	0	10.6983	10.8108	14.3787	HW	865	0	0	0	0.417	
+867	HW	TIP3	0	10.6983	10.8108	13.3707	HW	865	0	0	0	0.417	
+868	OW	TIP3	0	9.9393	10.8108	16.958	OW	869	870	0	0	-0.834	
+869	HW	TIP3	0	10.6983	10.8108	17.4619	HW	868	0	0	0	0.417	
+870	HW	TIP3	0	10.6983	10.8108	16.454	HW	868	0	0	0	0.417	
+871	OW	TIP3	0	9.9393	10.8108	20.0412	OW	872	873	0	0	-0.834	
+872	HW	TIP3	0	10.6983	10.8108	20.5452	HW	871	0	0	0	0.417	
+873	HW	TIP3	0	10.6983	10.8108	19.5372	HW	871	0	0	0	0.417	
+874	OW	TIP3	0	9.9393	10.8108	23.1245	OW	875	876	0	0	-0.834	
+875	HW	TIP3	0	10.6983	10.8108	23.6285	HW	874	0	0	0	0.417	
+876	HW	TIP3	0	10.6983	10.8108	22.6205	HW	874	0	0	0	0.417	
+877	OW	TIP3	0	9.9393	10.8108	26.2077	OW	878	879	0	0	-0.834	
+878	HW	TIP3	0	10.6983	10.8108	26.7117	HW	877	0	0	0	0.417	
+879	HW	TIP3	0	10.6983	10.8108	25.7037	HW	877	0	0	0	0.417	
+880	OW	TIP3	0	9.9393	10.8108	29.291	OW	881	882	0	0	-0.834	
+881	HW	TIP3	0	10.6983	10.8108	29.795	HW	880	0	0	0	0.417	
+882	HW	TIP3	0	10.6983	10.8108	28.787	HW	880	0	0	0	0.417	
+883	OW	TIP3	0	9.9393	10.8108	32.3743	OW	884	885	0	0	-0.834	
+884	HW	TIP3	0	10.6983	10.8108	32.8783	HW	883	0	0	0	0.417	
+885	HW	TIP3	0	10.6983	10.8108	31.8703	HW	883	0	0	0	0.417	
+886	OW	TIP3	0	9.9393	13.8996	1.54163	OW	887	888	0	0	-0.834	
+887	HW	TIP3	0	10.6983	13.8996	2.04563	HW	886	0	0	0	0.417	
+888	HW	TIP3	0	10.6983	13.8996	1.03763	HW	886	0	0	0	0.417	
+889	OW	TIP3	0	9.9393	13.8996	4.6249	OW	890	891	0	0	-0.834	
+890	HW	TIP3	0	10.6983	13.8996	5.1289	HW	889	0	0	0	0.417	
+891	HW	TIP3	0	10.6983	13.8996	4.1209	HW	889	0	0	0	0.417	
+892	OW	TIP3	0	9.9393	13.8996	7.70816	OW	893	894	0	0	-0.834	
+893	HW	TIP3	0	10.6983	13.8996	8.21216	HW	892	0	0	0	0.417	
+894	HW	TIP3	0	10.6983	13.8996	7.20416	HW	892	0	0	0	0.417	
+895	OW	TIP3	0	9.9393	13.8996	10.7914	OW	896	897	0	0	-0.834	
+896	HW	TIP3	0	10.6983	13.8996	11.2954	HW	895	0	0	0	0.417	
+897	HW	TIP3	0	10.6983	13.8996	10.2874	HW	895	0	0	0	0.417	
+898	OW	TIP3	0	9.9393	13.8996	13.8747	OW	899	900	0	0	-0.834	
+899	HW	TIP3	0	10.6983	13.8996	14.3787	HW	898	0	0	0	0.417	
+900	HW	TIP3	0	10.6983	13.8996	13.3707	HW	898	0	0	0	0.417	
+901	OW	TIP3	0	9.9393	13.8996	16.958	OW	902	903	0	0	-0.834	
+902	HW	TIP3	0	10.6983	13.8996	17.4619	HW	901	0	0	0	0.417	
+903	HW	TIP3	0	10.6983	13.8996	16.454	HW	901	0	0	0	0.417	
+904	OW	TIP3	0	9.9393	13.8996	20.0412	OW	905	906	0	0	-0.834	
+905	HW	TIP3	0	10.6983	13.8996	20.5452	HW	904	0	0	0	0.417	
+906	HW	TIP3	0	10.6983	13.8996	19.5372	HW	904	0	0	0	0.417	
+907	OW	TIP3	0	9.9393	13.8996	23.1245	OW	908	909	0	0	-0.834	
+908	HW	TIP3	0	10.6983	13.8996	23.6285	HW	907	0	0	0	0.417	
+909	HW	TIP3	0	10.6983	13.8996	22.6205	HW	907	0	0	0	0.417	
+910	OW	TIP3	0	9.9393	13.8996	26.2077	OW	911	912	0	0	-0.834	
+911	HW	TIP3	0	10.6983	13.8996	26.7117	HW	910	0	0	0	0.417	
+912	HW	TIP3	0	10.6983	13.8996	25.7037	HW	910	0	0	0	0.417	
+913	OW	TIP3	0	9.9393	13.8996	29.291	OW	914	915	0	0	-0.834	
+914	HW	TIP3	0	10.6983	13.8996	29.795	HW	913	0	0	0	0.417	
+915	HW	TIP3	0	10.6983	13.8996	28.787	HW	913	0	0	0	0.417	
+916	OW	TIP3	0	9.9393	13.8996	32.3743	OW	917	918	0	0	-0.834	
+917	HW	TIP3	0	10.6983	13.8996	32.8783	HW	916	0	0	0	0.417	
+918	HW	TIP3	0	10.6983	13.8996	31.8703	HW	916	0	0	0	0.417	
+919	OW	TIP3	0	9.9393	16.9884	1.54163	OW	920	921	0	0	-0.834	
+920	HW	TIP3	0	10.6983	16.9884	2.04563	HW	919	0	0	0	0.417	
+921	HW	TIP3	0	10.6983	16.9884	1.03763	HW	919	0	0	0	0.417	
+922	OW	TIP3	0	9.9393	16.9884	4.6249	OW	923	924	0	0	-0.834	
+923	HW	TIP3	0	10.6983	16.9884	5.1289	HW	922	0	0	0	0.417	
+924	HW	TIP3	0	10.6983	16.9884	4.1209	HW	922	0	0	0	0.417	
+925	OW	TIP3	0	9.9393	16.9884	7.70816	OW	926	927	0	0	-0.834	
+926	HW	TIP3	0	10.6983	16.9884	8.21216	HW	925	0	0	0	0.417	
+927	HW	TIP3	0	10.6983	16.9884	7.20416	HW	925	0	0	0	0.417	
+928	OW	TIP3	0	9.9393	16.9884	10.7914	OW	929	930	0	0	-0.834	
+929	HW	TIP3	0	10.6983	16.9884	11.2954	HW	928	0	0	0	0.417	
+930	HW	TIP3	0	10.6983	16.9884	10.2874	HW	928	0	0	0	0.417	
+931	OW	TIP3	0	9.9393	16.9884	13.8747	OW	932	933	0	0	-0.834	
+932	HW	TIP3	0	10.6983	16.9884	14.3787	HW	931	0	0	0	0.417	
+933	HW	TIP3	0	10.6983	16.9884	13.3707	HW	931	0	0	0	0.417	
+934	OW	TIP3	0	9.9393	16.9884	16.958	OW	935	936	0	0	-0.834	
+935	HW	TIP3	0	10.6983	16.9884	17.4619	HW	934	0	0	0	0.417	
+936	HW	TIP3	0	10.6983	16.9884	16.454	HW	934	0	0	0	0.417	
+937	OW	TIP3	0	9.9393	16.9884	20.0412	OW	938	939	0	0	-0.834	
+938	HW	TIP3	0	10.6983	16.9884	20.5452	HW	937	0	0	0	0.417	
+939	HW	TIP3	0	10.6983	16.9884	19.5372	HW	937	0	0	0	0.417	
+940	OW	TIP3	0	9.9393	16.9884	23.1245	OW	941	942	0	0	-0.834	
+941	HW	TIP3	0	10.6983	16.9884	23.6285	HW	940	0	0	0	0.417	
+942	HW	TIP3	0	10.6983	16.9884	22.6205	HW	940	0	0	0	0.417	
+943	OW	TIP3	0	9.9393	16.9884	26.2077	OW	944	945	0	0	-0.834	
+944	HW	TIP3	0	10.6983	16.9884	26.7117	HW	943	0	0	0	0.417	
+945	HW	TIP3	0	10.6983	16.9884	25.7037	HW	943	0	0	0	0.417	
+946	OW	TIP3	0	9.9393	16.9884	29.291	OW	947	948	0	0	-0.834	
+947	HW	TIP3	0	10.6983	16.9884	29.795	HW	946	0	0	0	0.417	
+948	HW	TIP3	0	10.6983	16.9884	28.787	HW	946	0	0	0	0.417	
+949	OW	TIP3	0	9.9393	16.9884	32.3743	OW	950	951	0	0	-0.834	
+950	HW	TIP3	0	10.6983	16.9884	32.8783	HW	949	0	0	0	0.417	
+951	HW	TIP3	0	10.6983	16.9884	31.8703	HW	949	0	0	0	0.417	
+952	OW	TIP3	0	9.9393	20.0772	1.54163	OW	953	954	0	0	-0.834	
+953	HW	TIP3	0	10.6983	20.0772	2.04563	HW	952	0	0	0	0.417	
+954	HW	TIP3	0	10.6983	20.0772	1.03763	HW	952	0	0	0	0.417	
+955	OW	TIP3	0	9.9393	20.0772	4.6249	OW	956	957	0	0	-0.834	
+956	HW	TIP3	0	10.6983	20.0772	5.1289	HW	955	0	0	0	0.417	
+957	HW	TIP3	0	10.6983	20.0772	4.1209	HW	955	0	0	0	0.417	
+958	OW	TIP3	0	9.9393	20.0772	7.70816	OW	959	960	0	0	-0.834	
+959	HW	TIP3	0	10.6983	20.0772	8.21216	HW	958	0	0	0	0.417	
+960	HW	TIP3	0	10.6983	20.0772	7.20416	HW	958	0	0	0	0.417	
+961	OW	TIP3	0	9.9393	20.0772	10.7914	OW	962	963	0	0	-0.834	
+962	HW	TIP3	0	10.6983	20.0772	11.2954	HW	961	0	0	0	0.417	
+963	HW	TIP3	0	10.6983	20.0772	10.2874	HW	961	0	0	0	0.417	
+964	OW	TIP3	0	9.9393	20.0772	13.8747	OW	965	966	0	0	-0.834	
+965	HW	TIP3	0	10.6983	20.0772	14.3787	HW	964	0	0	0	0.417	
+966	HW	TIP3	0	10.6983	20.0772	13.3707	HW	964	0	0	0	0.417	
+967	OW	TIP3	0	9.9393	20.0772	16.958	OW	968	969	0	0	-0.834	
+968	HW	TIP3	0	10.6983	20.0772	17.4619	HW	967	0	0	0	0.417	
+969	HW	TIP3	0	10.6983	20.0772	16.454	HW	967	0	0	0	0.417	
+970	OW	TIP3	0	9.9393	20.0772	20.0412	OW	971	972	0	0	-0.834	
+971	HW	TIP3	0	10.6983	20.0772	20.5452	HW	970	0	0	0	0.417	
+972	HW	TIP3	0	10.6983	20.0772	19.5372	HW	970	0	0	0	0.417	
+973	OW	TIP3	0	9.9393	20.0772	23.1245	OW	974	975	0	0	-0.834	
+974	HW	TIP3	0	10.6983	20.0772	23.6285	HW	973	0	0	0	0.417	
+975	HW	TIP3	0	10.6983	20.0772	22.6205	HW	973	0	0	0	0.417	
+976	OW	TIP3	0	9.9393	20.0772	26.2077	OW	977	978	0	0	-0.834	
+977	HW	TIP3	0	10.6983	20.0772	26.7117	HW	976	0	0	0	0.417	
+978	HW	TIP3	0	10.6983	20.0772	25.7037	HW	976	0	0	0	0.417	
+979	OW	TIP3	0	9.9393	20.0772	29.291	OW	980	981	0	0	-0.834	
+980	HW	TIP3	0	10.6983	20.0772	29.795	HW	979	0	0	0	0.417	
+981	HW	TIP3	0	10.6983	20.0772	28.787	HW	979	0	0	0	0.417	
+982	OW	TIP3	0	9.9393	20.0772	32.3743	OW	983	984	0	0	-0.834	
+983	HW	TIP3	0	10.6983	20.0772	32.8783	HW	982	0	0	0	0.417	
+984	HW	TIP3	0	10.6983	20.0772	31.8703	HW	982	0	0	0	0.417	
+985	OW	TIP3	0	12.7791	1.5444	1.54163	OW	986	987	0	0	-0.834	
+986	HW	TIP3	0	13.5381	1.5444	2.04563	HW	985	0	0	0	0.417	
+987	HW	TIP3	0	13.5381	1.5444	1.03763	HW	985	0	0	0	0.417	
+988	OW	TIP3	0	12.7791	1.5444	4.6249	OW	989	990	0	0	-0.834	
+989	HW	TIP3	0	13.5381	1.5444	5.1289	HW	988	0	0	0	0.417	
+990	HW	TIP3	0	13.5381	1.5444	4.1209	HW	988	0	0	0	0.417	
+991	OW	TIP3	0	12.7791	1.5444	7.70816	OW	992	993	0	0	-0.834	
+992	HW	TIP3	0	13.5381	1.5444	8.21216	HW	991	0	0	0	0.417	
+993	HW	TIP3	0	13.5381	1.5444	7.20416	HW	991	0	0	0	0.417	
+994	OW	TIP3	0	12.7791	1.5444	10.7914	OW	995	996	0	0	-0.834	
+995	HW	TIP3	0	13.5381	1.5444	11.2954	HW	994	0	0	0	0.417	
+996	HW	TIP3	0	13.5381	1.5444	10.2874	HW	994	0	0	0	0.417	
+997	OW	TIP3	0	12.7791	1.5444	13.8747	OW	998	999	0	0	-0.834	
+998	HW	TIP3	0	13.5381	1.5444	14.3787	HW	997	0	0	0	0.417	
+999	HW	TIP3	0	13.5381	1.5444	13.3707	HW	997	0	0	0	0.417	
+1000	OW	TIP3	0	12.7791	1.5444	16.958	OW	1001	1002	0	0	-0.834	
+1001	HW	TIP3	0	13.5381	1.5444	17.4619	HW	1000	0	0	0	0.417	
+1002	HW	TIP3	0	13.5381	1.5444	16.454	HW	1000	0	0	0	0.417	
+1003	OW	TIP3	0	12.7791	1.5444	20.0412	OW	1004	1005	0	0	-0.834	
+1004	HW	TIP3	0	13.5381	1.5444	20.5452	HW	1003	0	0	0	0.417	
+1005	HW	TIP3	0	13.5381	1.5444	19.5372	HW	1003	0	0	0	0.417	
+1006	OW	TIP3	0	12.7791	1.5444	23.1245	OW	1007	1008	0	0	-0.834	
+1007	HW	TIP3	0	13.5381	1.5444	23.6285	HW	1006	0	0	0	0.417	
+1008	HW	TIP3	0	13.5381	1.5444	22.6205	HW	1006	0	0	0	0.417	
+1009	OW	TIP3	0	12.7791	1.5444	26.2077	OW	1010	1011	0	0	-0.834	
+1010	HW	TIP3	0	13.5381	1.5444	26.7117	HW	1009	0	0	0	0.417	
+1011	HW	TIP3	0	13.5381	1.5444	25.7037	HW	1009	0	0	0	0.417	
+1012	OW	TIP3	0	12.7791	1.5444	29.291	OW	1013	1014	0	0	-0.834	
+1013	HW	TIP3	0	13.5381	1.5444	29.795	HW	1012	0	0	0	0.417	
+1014	HW	TIP3	0	13.5381	1.5444	28.787	HW	1012	0	0	0	0.417	
+1015	OW	TIP3	0	12.7791	1.5444	32.3743	OW	1016	1017	0	0	-0.834	
+1016	HW	TIP3	0	13.5381	1.5444	32.8783	HW	1015	0	0	0	0.417	
+1017	HW	TIP3	0	13.5381	1.5444	31.8703	HW	1015	0	0	0	0.417	
+1018	OW	TIP3	0	12.7791	4.6332	1.54163	OW	1019	1020	0	0	-0.834	
+1019	HW	TIP3	0	13.5381	4.6332	2.04563	HW	1018	0	0	0	0.417	
+1020	HW	TIP3	0	13.5381	4.6332	1.03763	HW	1018	0	0	0	0.417	
+1021	OW	TIP3	0	12.7791	4.6332	4.6249	OW	1022	1023	0	0	-0.834	
+1022	HW	TIP3	0	13.5381	4.6332	5.1289	HW	1021	0	0	0	0.417	
+1023	HW	TIP3	0	13.5381	4.6332	4.1209	HW	1021	0	0	0	0.417	
+1024	OW	TIP3	0	12.7791	4.6332	7.70816	OW	1025	1026	0	0	-0.834	
+1025	HW	TIP3	0	13.5381	4.6332	8.21216	HW	1024	0	0	0	0.417	
+1026	HW	TIP3	0	13.5381	4.6332	7.20416	HW	1024	0	0	0	0.417	
+1027	OW	TIP3	0	12.7791	4.6332	10.7914	OW	1028	1029	0	0	-0.834	
+1028	HW	TIP3	0	13.5381	4.6332	11.2954	HW	1027	0	0	0	0.417	
+1029	HW	TIP3	0	13.5381	4.6332	10.2874	HW	1027	0	0	0	0.417	
+1030	OW	TIP3	0	12.7791	4.6332	13.8747	OW	1031	1032	0	0	-0.834	
+1031	HW	TIP3	0	13.5381	4.6332	14.3787	HW	1030	0	0	0	0.417	
+1032	HW	TIP3	0	13.5381	4.6332	13.3707	HW	1030	0	0	0	0.417	
+1033	OW	TIP3	0	12.7791	4.6332	16.958	OW	1034	1035	0	0	-0.834	
+1034	HW	TIP3	0	13.5381	4.6332	17.4619	HW	1033	0	0	0	0.417	
+1035	HW	TIP3	0	13.5381	4.6332	16.454	HW	1033	0	0	0	0.417	
+1036	OW	TIP3	0	12.7791	4.6332	20.0412	OW	1037	1038	0	0	-0.834	
+1037	HW	TIP3	0	13.5381	4.6332	20.5452	HW	1036	0	0	0	0.417	
+1038	HW	TIP3	0	13.5381	4.6332	19.5372	HW	1036	0	0	0	0.417	
+1039	OW	TIP3	0	12.7791	4.6332	23.1245	OW	1040	1041	0	0	-0.834	
+1040	HW	TIP3	0	13.5381	4.6332	23.6285	HW	1039	0	0	0	0.417	
+1041	HW	TIP3	0	13.5381	4.6332	22.6205	HW	1039	0	0	0	0.417	
+1042	OW	TIP3	0	12.7791	4.6332	26.2077	OW	1043	1044	0	0	-0.834	
+1043	HW	TIP3	0	13.5381	4.6332	26.7117	HW	1042	0	0	0	0.417	
+1044	HW	TIP3	0	13.5381	4.6332	25.7037	HW	1042	0	0	0	0.417	
+1045	OW	TIP3	0	12.7791	4.6332	29.291	OW	1046	1047	0	0	-0.834	
+1046	HW	TIP3	0	13.5381	4.6332	29.795	HW	1045	0	0	0	0.417	
+1047	HW	TIP3	0	13.5381	4.6332	28.787	HW	1045	0	0	0	0.417	
+1048	OW	TIP3	0	12.7791	4.6332	32.3743	OW	1049	1050	0	0	-0.834	
+1049	HW	TIP3	0	13.5381	4.6332	32.8783	HW	1048	0	0	0	0.417	
+1050	HW	TIP3	0	13.5381	4.6332	31.8703	HW	1048	0	0	0	0.417	
+1051	OW	TIP3	0	12.7791	7.722	1.54163	OW	1052	1053	0	0	-0.834	
+1052	HW	TIP3	0	13.5381	7.722	2.04563	HW	1051	0	0	0	0.417	
+1053	HW	TIP3	0	13.5381	7.722	1.03763	HW	1051	0	0	0	0.417	
+1054	OW	TIP3	0	12.7791	7.722	4.6249	OW	1055	1056	0	0	-0.834	
+1055	HW	TIP3	0	13.5381	7.722	5.1289	HW	1054	0	0	0	0.417	
+1056	HW	TIP3	0	13.5381	7.722	4.1209	HW	1054	0	0	0	0.417	
+1057	OW	TIP3	0	12.7791	7.722	7.70816	OW	1058	1059	0	0	-0.834	
+1058	HW	TIP3	0	13.5381	7.722	8.21216	HW	1057	0	0	0	0.417	
+1059	HW	TIP3	0	13.5381	7.722	7.20416	HW	1057	0	0	0	0.417	
+1060	OW	TIP3	0	12.7791	7.722	10.7914	OW	1061	1062	0	0	-0.834	
+1061	HW	TIP3	0	13.5381	7.722	11.2954	HW	1060	0	0	0	0.417	
+1062	HW	TIP3	0	13.5381	7.722	10.2874	HW	1060	0	0	0	0.417	
+1063	OW	TIP3	0	12.7791	7.722	13.8747	OW	1064	1065	0	0	-0.834	
+1064	HW	TIP3	0	13.5381	7.722	14.3787	HW	1063	0	0	0	0.417	
+1065	HW	TIP3	0	13.5381	7.722	13.3707	HW	1063	0	0	0	0.417	
+1066	OW	TIP3	0	12.7791	7.722	16.958	OW	1067	1068	0	0	-0.834	
+1067	HW	TIP3	0	13.5381	7.722	17.4619	HW	1066	0	0	0	0.417	
+1068	HW	TIP3	0	13.5381	7.722	16.454	HW	1066	0	0	0	0.417	
+1069	OW	TIP3	0	12.7791	7.722	20.0412	OW	1070	1071	0	0	-0.834	
+1070	HW	TIP3	0	13.5381	7.722	20.5452	HW	1069	0	0	0	0.417	
+1071	HW	TIP3	0	13.5381	7.722	19.5372	HW	1069	0	0	0	0.417	
+1072	OW	TIP3	0	12.7791	7.722	23.1245	OW	1073	1074	0	0	-0.834	
+1073	HW	TIP3	0	13.5381	7.722	23.6285	HW	1072	0	0	0	0.417	
+1074	HW	TIP3	0	13.5381	7.722	22.6205	HW	1072	0	0	0	0.417	
+1075	OW	TIP3	0	12.7791	7.722	26.2077	OW	1076	1077	0	0	-0.834	
+1076	HW	TIP3	0	13.5381	7.722	26.7117	HW	1075	0	0	0	0.417	
+1077	HW	TIP3	0	13.5381	7.722	25.7037	HW	1075	0	0	0	0.417	
+1078	OW	TIP3	0	12.7791	7.722	29.291	OW	1079	1080	0	0	-0.834	
+1079	HW	TIP3	0	13.5381	7.722	29.795	HW	1078	0	0	0	0.417	
+1080	HW	TIP3	0	13.5381	7.722	28.787	HW	1078	0	0	0	0.417	
+1081	OW	TIP3	0	12.7791	7.722	32.3743	OW	1082	1083	0	0	-0.834	
+1082	HW	TIP3	0	13.5381	7.722	32.8783	HW	1081	0	0	0	0.417	
+1083	HW	TIP3	0	13.5381	7.722	31.8703	HW	1081	0	0	0	0.417	
+1084	OW	TIP3	0	12.7791	10.8108	1.54163	OW	1085	1086	0	0	-0.834	
+1085	HW	TIP3	0	13.5381	10.8108	2.04563	HW	1084	0	0	0	0.417	
+1086	HW	TIP3	0	13.5381	10.8108	1.03763	HW	1084	0	0	0	0.417	
+1087	OW	TIP3	0	12.7791	10.8108	4.6249	OW	1088	1089	0	0	-0.834	
+1088	HW	TIP3	0	13.5381	10.8108	5.1289	HW	1087	0	0	0	0.417	
+1089	HW	TIP3	0	13.5381	10.8108	4.1209	HW	1087	0	0	0	0.417	
+1090	OW	TIP3	0	12.7791	10.8108	7.70816	OW	1091	1092	0	0	-0.834	
+1091	HW	TIP3	0	13.5381	10.8108	8.21216	HW	1090	0	0	0	0.417	
+1092	HW	TIP3	0	13.5381	10.8108	7.20416	HW	1090	0	0	0	0.417	
+1093	OW	TIP3	0	12.7791	10.8108	10.7914	OW	1094	1095	0	0	-0.834	
+1094	HW	TIP3	0	13.5381	10.8108	11.2954	HW	1093	0	0	0	0.417	
+1095	HW	TIP3	0	13.5381	10.8108	10.2874	HW	1093	0	0	0	0.417	
+1096	OW	TIP3	0	12.7791	10.8108	13.8747	OW	1097	1098	0	0	-0.834	
+1097	HW	TIP3	0	13.5381	10.8108	14.3787	HW	1096	0	0	0	0.417	
+1098	HW	TIP3	0	13.5381	10.8108	13.3707	HW	1096	0	0	0	0.417	
+1099	OW	TIP3	0	12.7791	10.8108	16.958	OW	1100	1101	0	0	-0.834	
+1100	HW	TIP3	0	13.5381	10.8108	17.4619	HW	1099	0	0	0	0.417	
+1101	HW	TIP3	0	13.5381	10.8108	16.454	HW	1099	0	0	0	0.417	
+1102	OW	TIP3	0	12.7791	10.8108	20.0412	OW	1103	1104	0	0	-0.834	
+1103	HW	TIP3	0	13.5381	10.8108	20.5452	HW	1102	0	0	0	0.417	
+1104	HW	TIP3	0	13.5381	10.8108	19.5372	HW	1102	0	0	0	0.417	
+1105	OW	TIP3	0	12.7791	10.8108	23.1245	OW	1106	1107	0	0	-0.834	
+1106	HW	TIP3	0	13.5381	10.8108	23.6285	HW	1105	0	0	0	0.417	
+1107	HW	TIP3	0	13.5381	10.8108	22.6205	HW	1105	0	0	0	0.417	
+1108	OW	TIP3	0	12.7791	10.8108	26.2077	OW	1109	1110	0	0	-0.834	
+1109	HW	TIP3	0	13.5381	10.8108	26.7117	HW	1108	0	0	0	0.417	
+1110	HW	TIP3	0	13.5381	10.8108	25.7037	HW	1108	0	0	0	0.417	
+1111	OW	TIP3	0	12.7791	10.8108	29.291	OW	1112	1113	0	0	-0.834	
+1112	HW	TIP3	0	13.5381	10.8108	29.795	HW	1111	0	0	0	0.417	
+1113	HW	TIP3	0	13.5381	10.8108	28.787	HW	1111	0	0	0	0.417	
+1114	OW	TIP3	0	12.7791	10.8108	32.3743	OW	1115	1116	0	0	-0.834	
+1115	HW	TIP3	0	13.5381	10.8108	32.8783	HW	1114	0	0	0	0.417	
+1116	HW	TIP3	0	13.5381	10.8108	31.8703	HW	1114	0	0	0	0.417	
+1117	OW	TIP3	0	12.7791	13.8996	1.54163	OW	1118	1119	0	0	-0.834	
+1118	HW	TIP3	0	13.5381	13.8996	2.04563	HW	1117	0	0	0	0.417	
+1119	HW	TIP3	0	13.5381	13.8996	1.03763	HW	1117	0	0	0	0.417	
+1120	OW	TIP3	0	12.7791	13.8996	4.6249	OW	1121	1122	0	0	-0.834	
+1121	HW	TIP3	0	13.5381	13.8996	5.1289	HW	1120	0	0	0	0.417	
+1122	HW	TIP3	0	13.5381	13.8996	4.1209	HW	1120	0	0	0	0.417	
+1123	OW	TIP3	0	12.7791	13.8996	7.70816	OW	1124	1125	0	0	-0.834	
+1124	HW	TIP3	0	13.5381	13.8996	8.21216	HW	1123	0	0	0	0.417	
+1125	HW	TIP3	0	13.5381	13.8996	7.20416	HW	1123	0	0	0	0.417	
+1126	OW	TIP3	0	12.7791	13.8996	10.7914	OW	1127	1128	0	0	-0.834	
+1127	HW	TIP3	0	13.5381	13.8996	11.2954	HW	1126	0	0	0	0.417	
+1128	HW	TIP3	0	13.5381	13.8996	10.2874	HW	1126	0	0	0	0.417	
+1129	OW	TIP3	0	12.7791	13.8996	13.8747	OW	1130	1131	0	0	-0.834	
+1130	HW	TIP3	0	13.5381	13.8996	14.3787	HW	1129	0	0	0	0.417	
+1131	HW	TIP3	0	13.5381	13.8996	13.3707	HW	1129	0	0	0	0.417	
+1132	OW	TIP3	0	12.7791	13.8996	16.958	OW	1133	1134	0	0	-0.834	
+1133	HW	TIP3	0	13.5381	13.8996	17.4619	HW	1132	0	0	0	0.417	
+1134	HW	TIP3	0	13.5381	13.8996	16.454	HW	1132	0	0	0	0.417	
+1135	OW	TIP3	0	12.7791	13.8996	20.0412	OW	1136	1137	0	0	-0.834	
+1136	HW	TIP3	0	13.5381	13.8996	20.5452	HW	1135	0	0	0	0.417	
+1137	HW	TIP3	0	13.5381	13.8996	19.5372	HW	1135	0	0	0	0.417	
+1138	OW	TIP3	0	12.7791	13.8996	23.1245	OW	1139	1140	0	0	-0.834	
+1139	HW	TIP3	0	13.5381	13.8996	23.6285	HW	1138	0	0	0	0.417	
+1140	HW	TIP3	0	13.5381	13.8996	22.6205	HW	1138	0	0	0	0.417	
+1141	OW	TIP3	0	12.7791	13.8996	26.2077	OW	1142	1143	0	0	-0.834	
+1142	HW	TIP3	0	13.5381	13.8996	26.7117	HW	1141	0	0	0	0.417	
+1143	HW	TIP3	0	13.5381	13.8996	25.7037	HW	1141	0	0	0	0.417	
+1144	OW	TIP3	0	12.7791	13.8996	29.291	OW	1145	1146	0	0	-0.834	
+1145	HW	TIP3	0	13.5381	13.8996	29.795	HW	1144	0	0	0	0.417	
+1146	HW	TIP3	0	13.5381	13.8996	28.787	HW	1144	0	0	0	0.417	
+1147	OW	TIP3	0	12.7791	13.8996	32.3743	OW	1148	1149	0	0	-0.834	
+1148	HW	TIP3	0	13.5381	13.8996	32.8783	HW	1147	0	0	0	0.417	
+1149	HW	TIP3	0	13.5381	13.8996	31.8703	HW	1147	0	0	0	0.417	
+1150	OW	TIP3	0	12.7791	16.9884	1.54163	OW	1151	1152	0	0	-0.834	
+1151	HW	TIP3	0	13.5381	16.9884	2.04563	HW	1150	0	0	0	0.417	
+1152	HW	TIP3	0	13.5381	16.9884	1.03763	HW	1150	0	0	0	0.417	
+1153	OW	TIP3	0	12.7791	16.9884	4.6249	OW	1154	1155	0	0	-0.834	
+1154	HW	TIP3	0	13.5381	16.9884	5.1289	HW	1153	0	0	0	0.417	
+1155	HW	TIP3	0	13.5381	16.9884	4.1209	HW	1153	0	0	0	0.417	
+1156	OW	TIP3	0	12.7791	16.9884	7.70816	OW	1157	1158	0	0	-0.834	
+1157	HW	TIP3	0	13.5381	16.9884	8.21216	HW	1156	0	0	0	0.417	
+1158	HW	TIP3	0	13.5381	16.9884	7.20416	HW	1156	0	0	0	0.417	
+1159	OW	TIP3	0	12.7791	16.9884	10.7914	OW	1160	1161	0	0	-0.834	
+1160	HW	TIP3	0	13.5381	16.9884	11.2954	HW	1159	0	0	0	0.417	
+1161	HW	TIP3	0	13.5381	16.9884	10.2874	HW	1159	0	0	0	0.417	
+1162	OW	TIP3	0	12.7791	16.9884	13.8747	OW	1163	1164	0	0	-0.834	
+1163	HW	TIP3	0	13.5381	16.9884	14.3787	HW	1162	0	0	0	0.417	
+1164	HW	TIP3	0	13.5381	16.9884	13.3707	HW	1162	0	0	0	0.417	
+1165	OW	TIP3	0	12.7791	16.9884	16.958	OW	1166	1167	0	0	-0.834	
+1166	HW	TIP3	0	13.5381	16.9884	17.4619	HW	1165	0	0	0	0.417	
+1167	HW	TIP3	0	13.5381	16.9884	16.454	HW	1165	0	0	0	0.417	
+1168	OW	TIP3	0	12.7791	16.9884	20.0412	OW	1169	1170	0	0	-0.834	
+1169	HW	TIP3	0	13.5381	16.9884	20.5452	HW	1168	0	0	0	0.417	
+1170	HW	TIP3	0	13.5381	16.9884	19.5372	HW	1168	0	0	0	0.417	
+1171	OW	TIP3	0	12.7791	16.9884	26.2077	OW	1172	1173	0	0	-0.834	
+1172	HW	TIP3	0	13.5381	16.9884	26.7117	HW	1171	0	0	0	0.417	
+1173	HW	TIP3	0	13.5381	16.9884	25.7037	HW	1171	0	0	0	0.417	
+1174	OW	TIP3	0	12.7791	16.9884	29.291	OW	1175	1176	0	0	-0.834	
+1175	HW	TIP3	0	13.5381	16.9884	29.795	HW	1174	0	0	0	0.417	
+1176	HW	TIP3	0	13.5381	16.9884	28.787	HW	1174	0	0	0	0.417	
+1177	OW	TIP3	0	12.7791	16.9884	32.3743	OW	1178	1179	0	0	-0.834	
+1178	HW	TIP3	0	13.5381	16.9884	32.8783	HW	1177	0	0	0	0.417	
+1179	HW	TIP3	0	13.5381	16.9884	31.8703	HW	1177	0	0	0	0.417	
+1180	OW	TIP3	0	12.7791	20.0772	1.54163	OW	1181	1182	0	0	-0.834	
+1181	HW	TIP3	0	13.5381	20.0772	2.04563	HW	1180	0	0	0	0.417	
+1182	HW	TIP3	0	13.5381	20.0772	1.03763	HW	1180	0	0	0	0.417	
+1183	OW	TIP3	0	12.7791	20.0772	4.6249	OW	1184	1185	0	0	-0.834	
+1184	HW	TIP3	0	13.5381	20.0772	5.1289	HW	1183	0	0	0	0.417	
+1185	HW	TIP3	0	13.5381	20.0772	4.1209	HW	1183	0	0	0	0.417	
+1186	OW	TIP3	0	12.7791	20.0772	7.70816	OW	1187	1188	0	0	-0.834	
+1187	HW	TIP3	0	13.5381	20.0772	8.21216	HW	1186	0	0	0	0.417	
+1188	HW	TIP3	0	13.5381	20.0772	7.20416	HW	1186	0	0	0	0.417	
+1189	OW	TIP3	0	12.7791	20.0772	10.7914	OW	1190	1191	0	0	-0.834	
+1190	HW	TIP3	0	13.5381	20.0772	11.2954	HW	1189	0	0	0	0.417	
+1191	HW	TIP3	0	13.5381	20.0772	10.2874	HW	1189	0	0	0	0.417	
+1192	OW	TIP3	0	12.7791	20.0772	13.8747	OW	1193	1194	0	0	-0.834	
+1193	HW	TIP3	0	13.5381	20.0772	14.3787	HW	1192	0	0	0	0.417	
+1194	HW	TIP3	0	13.5381	20.0772	13.3707	HW	1192	0	0	0	0.417	
+1195	OW	TIP3	0	12.7791	20.0772	16.958	OW	1196	1197	0	0	-0.834	
+1196	HW	TIP3	0	13.5381	20.0772	17.4619	HW	1195	0	0	0	0.417	
+1197	HW	TIP3	0	13.5381	20.0772	16.454	HW	1195	0	0	0	0.417	
+1198	OW	TIP3	0	12.7791	20.0772	20.0412	OW	1199	1200	0	0	-0.834	
+1199	HW	TIP3	0	13.5381	20.0772	20.5452	HW	1198	0	0	0	0.417	
+1200	HW	TIP3	0	13.5381	20.0772	19.5372	HW	1198	0	0	0	0.417	
+1201	OW	TIP3	0	12.7791	20.0772	23.1245	OW	1202	1203	0	0	-0.834	
+1202	HW	TIP3	0	13.5381	20.0772	23.6285	HW	1201	0	0	0	0.417	
+1203	HW	TIP3	0	13.5381	20.0772	22.6205	HW	1201	0	0	0	0.417	
+1204	OW	TIP3	0	12.7791	20.0772	26.2077	OW	1205	1206	0	0	-0.834	
+1205	HW	TIP3	0	13.5381	20.0772	26.7117	HW	1204	0	0	0	0.417	
+1206	HW	TIP3	0	13.5381	20.0772	25.7037	HW	1204	0	0	0	0.417	
+1207	OW	TIP3	0	12.7791	20.0772	29.291	OW	1208	1209	0	0	-0.834	
+1208	HW	TIP3	0	13.5381	20.0772	29.795	HW	1207	0	0	0	0.417	
+1209	HW	TIP3	0	13.5381	20.0772	28.787	HW	1207	0	0	0	0.417	
+1210	OW	TIP3	0	12.7791	20.0772	32.3743	OW	1211	1212	0	0	-0.834	
+1211	HW	TIP3	0	13.5381	20.0772	32.8783	HW	1210	0	0	0	0.417	
+1212	HW	TIP3	0	13.5381	20.0772	31.8703	HW	1210	0	0	0	0.417	
Index: tests/regression/Filling/RegularGrid/post/solved_single_sles.data
===================================================================
--- tests/regression/Filling/RegularGrid/post/solved_single_sles.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
+++ tests/regression/Filling/RegularGrid/post/solved_single_sles.data	(revision 531f27764dc2eabbcb727eb49be1867ac1257e30)
@@ -0,0 +1,725 @@
+# 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	
+58	OW	TIP3	0	1.4199	1.66216	1.54163	OW	59	60	0	0	-0.834	
+59	HW	TIP3	0	2.1789	1.66216	2.04563	HW	58	0	0	0	0.417	
+60	HW	TIP3	0	2.1789	1.66216	1.03763	HW	58	0	0	0	0.417	
+61	OW	TIP3	0	1.4199	1.66216	4.6249	OW	62	63	0	0	-0.834	
+62	HW	TIP3	0	2.1789	1.66216	5.1289	HW	61	0	0	0	0.417	
+63	HW	TIP3	0	2.1789	1.66216	4.1209	HW	61	0	0	0	0.417	
+64	OW	TIP3	0	1.4199	1.66216	7.70816	OW	65	66	0	0	-0.834	
+65	HW	TIP3	0	2.1789	1.66216	8.21216	HW	64	0	0	0	0.417	
+66	HW	TIP3	0	2.1789	1.66216	7.20416	HW	64	0	0	0	0.417	
+67	OW	TIP3	0	1.4199	1.66216	10.7914	OW	68	69	0	0	-0.834	
+68	HW	TIP3	0	2.1789	1.66216	11.2954	HW	67	0	0	0	0.417	
+69	HW	TIP3	0	2.1789	1.66216	10.2874	HW	67	0	0	0	0.417	
+70	OW	TIP3	0	1.4199	1.66216	13.8747	OW	71	72	0	0	-0.834	
+71	HW	TIP3	0	2.1789	1.66216	14.3787	HW	70	0	0	0	0.417	
+72	HW	TIP3	0	2.1789	1.66216	13.3707	HW	70	0	0	0	0.417	
+73	OW	TIP3	0	1.4199	1.66216	16.958	OW	74	75	0	0	-0.834	
+74	HW	TIP3	0	2.1789	1.66216	17.4619	HW	73	0	0	0	0.417	
+75	HW	TIP3	0	2.1789	1.66216	16.454	HW	73	0	0	0	0.417	
+76	OW	TIP3	0	1.4199	1.66216	20.0412	OW	77	78	0	0	-0.834	
+77	HW	TIP3	0	2.1789	1.66216	20.5452	HW	76	0	0	0	0.417	
+78	HW	TIP3	0	2.1789	1.66216	19.5372	HW	76	0	0	0	0.417	
+79	OW	TIP3	0	1.4199	1.66216	23.1245	OW	80	81	0	0	-0.834	
+80	HW	TIP3	0	2.1789	1.66216	23.6285	HW	79	0	0	0	0.417	
+81	HW	TIP3	0	2.1789	1.66216	22.6205	HW	79	0	0	0	0.417	
+82	OW	TIP3	0	1.4199	1.66216	26.2077	OW	83	84	0	0	-0.834	
+83	HW	TIP3	0	2.1789	1.66216	26.7117	HW	82	0	0	0	0.417	
+84	HW	TIP3	0	2.1789	1.66216	25.7037	HW	82	0	0	0	0.417	
+85	OW	TIP3	0	1.4199	1.66216	29.291	OW	86	87	0	0	-0.834	
+86	HW	TIP3	0	2.1789	1.66216	29.795	HW	85	0	0	0	0.417	
+87	HW	TIP3	0	2.1789	1.66216	28.787	HW	85	0	0	0	0.417	
+88	OW	TIP3	0	1.4199	1.66216	32.3743	OW	89	90	0	0	-0.834	
+89	HW	TIP3	0	2.1789	1.66216	32.8783	HW	88	0	0	0	0.417	
+90	HW	TIP3	0	2.1789	1.66216	31.8703	HW	88	0	0	0	0.417	
+91	OW	TIP3	0	1.4199	4.98648	1.54163	OW	92	93	0	0	-0.834	
+92	HW	TIP3	0	2.1789	4.98648	2.04563	HW	91	0	0	0	0.417	
+93	HW	TIP3	0	2.1789	4.98648	1.03763	HW	91	0	0	0	0.417	
+94	OW	TIP3	0	1.4199	4.98648	4.6249	OW	95	96	0	0	-0.834	
+95	HW	TIP3	0	2.1789	4.98648	5.1289	HW	94	0	0	0	0.417	
+96	HW	TIP3	0	2.1789	4.98648	4.1209	HW	94	0	0	0	0.417	
+97	OW	TIP3	0	1.4199	4.98648	7.70816	OW	98	99	0	0	-0.834	
+98	HW	TIP3	0	2.1789	4.98648	8.21216	HW	97	0	0	0	0.417	
+99	HW	TIP3	0	2.1789	4.98648	7.20416	HW	97	0	0	0	0.417	
+100	OW	TIP3	0	1.4199	4.98648	10.7914	OW	101	102	0	0	-0.834	
+101	HW	TIP3	0	2.1789	4.98648	11.2954	HW	100	0	0	0	0.417	
+102	HW	TIP3	0	2.1789	4.98648	10.2874	HW	100	0	0	0	0.417	
+103	OW	TIP3	0	1.4199	4.98648	13.8747	OW	104	105	0	0	-0.834	
+104	HW	TIP3	0	2.1789	4.98648	14.3787	HW	103	0	0	0	0.417	
+105	HW	TIP3	0	2.1789	4.98648	13.3707	HW	103	0	0	0	0.417	
+106	OW	TIP3	0	1.4199	4.98648	16.958	OW	107	108	0	0	-0.834	
+107	HW	TIP3	0	2.1789	4.98648	17.4619	HW	106	0	0	0	0.417	
+108	HW	TIP3	0	2.1789	4.98648	16.454	HW	106	0	0	0	0.417	
+109	OW	TIP3	0	1.4199	4.98648	20.0412	OW	110	111	0	0	-0.834	
+110	HW	TIP3	0	2.1789	4.98648	20.5452	HW	109	0	0	0	0.417	
+111	HW	TIP3	0	2.1789	4.98648	19.5372	HW	109	0	0	0	0.417	
+112	OW	TIP3	0	1.4199	4.98648	23.1245	OW	113	114	0	0	-0.834	
+113	HW	TIP3	0	2.1789	4.98648	23.6285	HW	112	0	0	0	0.417	
+114	HW	TIP3	0	2.1789	4.98648	22.6205	HW	112	0	0	0	0.417	
+115	OW	TIP3	0	1.4199	4.98648	26.2077	OW	116	117	0	0	-0.834	
+116	HW	TIP3	0	2.1789	4.98648	26.7117	HW	115	0	0	0	0.417	
+117	HW	TIP3	0	2.1789	4.98648	25.7037	HW	115	0	0	0	0.417	
+118	OW	TIP3	0	1.4199	4.98648	29.291	OW	119	120	0	0	-0.834	
+119	HW	TIP3	0	2.1789	4.98648	29.795	HW	118	0	0	0	0.417	
+120	HW	TIP3	0	2.1789	4.98648	28.787	HW	118	0	0	0	0.417	
+121	OW	TIP3	0	1.4199	4.98648	32.3743	OW	122	123	0	0	-0.834	
+122	HW	TIP3	0	2.1789	4.98648	32.8783	HW	121	0	0	0	0.417	
+123	HW	TIP3	0	2.1789	4.98648	31.8703	HW	121	0	0	0	0.417	
+124	OW	TIP3	0	1.4199	8.3108	1.54163	OW	125	126	0	0	-0.834	
+125	HW	TIP3	0	2.1789	8.3108	2.04563	HW	124	0	0	0	0.417	
+126	HW	TIP3	0	2.1789	8.3108	1.03763	HW	124	0	0	0	0.417	
+127	OW	TIP3	0	1.4199	8.3108	4.6249	OW	128	129	0	0	-0.834	
+128	HW	TIP3	0	2.1789	8.3108	5.1289	HW	127	0	0	0	0.417	
+129	HW	TIP3	0	2.1789	8.3108	4.1209	HW	127	0	0	0	0.417	
+130	OW	TIP3	0	1.4199	8.3108	7.70816	OW	131	132	0	0	-0.834	
+131	HW	TIP3	0	2.1789	8.3108	8.21216	HW	130	0	0	0	0.417	
+132	HW	TIP3	0	2.1789	8.3108	7.20416	HW	130	0	0	0	0.417	
+133	OW	TIP3	0	1.4199	8.3108	10.7914	OW	134	135	0	0	-0.834	
+134	HW	TIP3	0	2.1789	8.3108	11.2954	HW	133	0	0	0	0.417	
+135	HW	TIP3	0	2.1789	8.3108	10.2874	HW	133	0	0	0	0.417	
+136	OW	TIP3	0	1.4199	8.3108	13.8747	OW	137	138	0	0	-0.834	
+137	HW	TIP3	0	2.1789	8.3108	14.3787	HW	136	0	0	0	0.417	
+138	HW	TIP3	0	2.1789	8.3108	13.3707	HW	136	0	0	0	0.417	
+139	OW	TIP3	0	1.4199	8.3108	16.958	OW	140	141	0	0	-0.834	
+140	HW	TIP3	0	2.1789	8.3108	17.4619	HW	139	0	0	0	0.417	
+141	HW	TIP3	0	2.1789	8.3108	16.454	HW	139	0	0	0	0.417	
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+143	HW	TIP3	0	2.1789	8.3108	20.5452	HW	142	0	0	0	0.417	
+144	HW	TIP3	0	2.1789	8.3108	19.5372	HW	142	0	0	0	0.417	
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+146	HW	TIP3	0	2.1789	8.3108	23.6285	HW	145	0	0	0	0.417	
+147	HW	TIP3	0	2.1789	8.3108	22.6205	HW	145	0	0	0	0.417	
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+149	HW	TIP3	0	2.1789	8.3108	26.7117	HW	148	0	0	0	0.417	
+150	HW	TIP3	0	2.1789	8.3108	25.7037	HW	148	0	0	0	0.417	
+151	OW	TIP3	0	1.4199	8.3108	29.291	OW	152	153	0	0	-0.834	
+152	HW	TIP3	0	2.1789	8.3108	29.795	HW	151	0	0	0	0.417	
+153	HW	TIP3	0	2.1789	8.3108	28.787	HW	151	0	0	0	0.417	
+154	OW	TIP3	0	1.4199	8.3108	32.3743	OW	155	156	0	0	-0.834	
+155	HW	TIP3	0	2.1789	8.3108	32.8783	HW	154	0	0	0	0.417	
+156	HW	TIP3	0	2.1789	8.3108	31.8703	HW	154	0	0	0	0.417	
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+158	HW	TIP3	0	2.1789	11.6351	2.04563	HW	157	0	0	0	0.417	
+159	HW	TIP3	0	2.1789	11.6351	1.03763	HW	157	0	0	0	0.417	
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+162	HW	TIP3	0	2.1789	11.6351	4.1209	HW	160	0	0	0	0.417	
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+165	HW	TIP3	0	2.1789	11.6351	7.20416	HW	163	0	0	0	0.417	
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+167	HW	TIP3	0	2.1789	11.6351	11.2954	HW	166	0	0	0	0.417	
+168	HW	TIP3	0	2.1789	11.6351	10.2874	HW	166	0	0	0	0.417	
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+171	HW	TIP3	0	2.1789	11.6351	13.3707	HW	169	0	0	0	0.417	
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+177	HW	TIP3	0	2.1789	11.6351	19.5372	HW	175	0	0	0	0.417	
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+180	HW	TIP3	0	2.1789	11.6351	22.6205	HW	178	0	0	0	0.417	
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+182	HW	TIP3	0	2.1789	11.6351	26.7117	HW	181	0	0	0	0.417	
+183	HW	TIP3	0	2.1789	11.6351	25.7037	HW	181	0	0	0	0.417	
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+186	HW	TIP3	0	2.1789	11.6351	28.787	HW	184	0	0	0	0.417	
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+188	HW	TIP3	0	2.1789	11.6351	32.8783	HW	187	0	0	0	0.417	
+189	HW	TIP3	0	2.1789	11.6351	31.8703	HW	187	0	0	0	0.417	
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+191	HW	TIP3	0	2.1789	14.9594	2.04563	HW	190	0	0	0	0.417	
+192	HW	TIP3	0	2.1789	14.9594	1.03763	HW	190	0	0	0	0.417	
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+284	HW	TIP3	0	5.0187	11.6351	2.04563	HW	283	0	0	0	0.417	
+285	HW	TIP3	0	5.0187	11.6351	1.03763	HW	283	0	0	0	0.417	
+286	OW	TIP3	0	4.2597	11.6351	7.70816	OW	287	288	0	0	-0.834	
+287	HW	TIP3	0	5.0187	11.6351	8.21216	HW	286	0	0	0	0.417	
+288	HW	TIP3	0	5.0187	11.6351	7.20416	HW	286	0	0	0	0.417	
+289	OW	TIP3	0	4.2597	11.6351	10.7914	OW	290	291	0	0	-0.834	
+290	HW	TIP3	0	5.0187	11.6351	11.2954	HW	289	0	0	0	0.417	
+291	HW	TIP3	0	5.0187	11.6351	10.2874	HW	289	0	0	0	0.417	
+292	OW	TIP3	0	4.2597	11.6351	13.8747	OW	293	294	0	0	-0.834	
+293	HW	TIP3	0	5.0187	11.6351	14.3787	HW	292	0	0	0	0.417	
+294	HW	TIP3	0	5.0187	11.6351	13.3707	HW	292	0	0	0	0.417	
+295	OW	TIP3	0	4.2597	11.6351	16.958	OW	296	297	0	0	-0.834	
+296	HW	TIP3	0	5.0187	11.6351	17.4619	HW	295	0	0	0	0.417	
+297	HW	TIP3	0	5.0187	11.6351	16.454	HW	295	0	0	0	0.417	
+298	OW	TIP3	0	4.2597	11.6351	20.0412	OW	299	300	0	0	-0.834	
+299	HW	TIP3	0	5.0187	11.6351	20.5452	HW	298	0	0	0	0.417	
+300	HW	TIP3	0	5.0187	11.6351	19.5372	HW	298	0	0	0	0.417	
+301	OW	TIP3	0	4.2597	11.6351	23.1245	OW	302	303	0	0	-0.834	
+302	HW	TIP3	0	5.0187	11.6351	23.6285	HW	301	0	0	0	0.417	
+303	HW	TIP3	0	5.0187	11.6351	22.6205	HW	301	0	0	0	0.417	
+304	OW	TIP3	0	4.2597	11.6351	26.2077	OW	305	306	0	0	-0.834	
+305	HW	TIP3	0	5.0187	11.6351	26.7117	HW	304	0	0	0	0.417	
+306	HW	TIP3	0	5.0187	11.6351	25.7037	HW	304	0	0	0	0.417	
+307	OW	TIP3	0	4.2597	11.6351	29.291	OW	308	309	0	0	-0.834	
+308	HW	TIP3	0	5.0187	11.6351	29.795	HW	307	0	0	0	0.417	
+309	HW	TIP3	0	5.0187	11.6351	28.787	HW	307	0	0	0	0.417	
+310	OW	TIP3	0	4.2597	11.6351	32.3743	OW	311	312	0	0	-0.834	
+311	HW	TIP3	0	5.0187	11.6351	32.8783	HW	310	0	0	0	0.417	
+312	HW	TIP3	0	5.0187	11.6351	31.8703	HW	310	0	0	0	0.417	
+313	OW	TIP3	0	4.2597	14.9594	1.54163	OW	314	315	0	0	-0.834	
+314	HW	TIP3	0	5.0187	14.9594	2.04563	HW	313	0	0	0	0.417	
+315	HW	TIP3	0	5.0187	14.9594	1.03763	HW	313	0	0	0	0.417	
+316	OW	TIP3	0	4.2597	14.9594	4.6249	OW	317	318	0	0	-0.834	
+317	HW	TIP3	0	5.0187	14.9594	5.1289	HW	316	0	0	0	0.417	
+318	HW	TIP3	0	5.0187	14.9594	4.1209	HW	316	0	0	0	0.417	
+319	OW	TIP3	0	4.2597	14.9594	7.70816	OW	320	321	0	0	-0.834	
+320	HW	TIP3	0	5.0187	14.9594	8.21216	HW	319	0	0	0	0.417	
+321	HW	TIP3	0	5.0187	14.9594	7.20416	HW	319	0	0	0	0.417	
+322	OW	TIP3	0	4.2597	14.9594	10.7914	OW	323	324	0	0	-0.834	
+323	HW	TIP3	0	5.0187	14.9594	11.2954	HW	322	0	0	0	0.417	
+324	HW	TIP3	0	5.0187	14.9594	10.2874	HW	322	0	0	0	0.417	
+325	OW	TIP3	0	4.2597	14.9594	13.8747	OW	326	327	0	0	-0.834	
+326	HW	TIP3	0	5.0187	14.9594	14.3787	HW	325	0	0	0	0.417	
+327	HW	TIP3	0	5.0187	14.9594	13.3707	HW	325	0	0	0	0.417	
+328	OW	TIP3	0	4.2597	14.9594	16.958	OW	329	330	0	0	-0.834	
+329	HW	TIP3	0	5.0187	14.9594	17.4619	HW	328	0	0	0	0.417	
+330	HW	TIP3	0	5.0187	14.9594	16.454	HW	328	0	0	0	0.417	
+331	OW	TIP3	0	4.2597	14.9594	20.0412	OW	332	333	0	0	-0.834	
+332	HW	TIP3	0	5.0187	14.9594	20.5452	HW	331	0	0	0	0.417	
+333	HW	TIP3	0	5.0187	14.9594	19.5372	HW	331	0	0	0	0.417	
+334	OW	TIP3	0	4.2597	14.9594	23.1245	OW	335	336	0	0	-0.834	
+335	HW	TIP3	0	5.0187	14.9594	23.6285	HW	334	0	0	0	0.417	
+336	HW	TIP3	0	5.0187	14.9594	22.6205	HW	334	0	0	0	0.417	
+337	OW	TIP3	0	4.2597	14.9594	26.2077	OW	338	339	0	0	-0.834	
+338	HW	TIP3	0	5.0187	14.9594	26.7117	HW	337	0	0	0	0.417	
+339	HW	TIP3	0	5.0187	14.9594	25.7037	HW	337	0	0	0	0.417	
+340	OW	TIP3	0	4.2597	14.9594	29.291	OW	341	342	0	0	-0.834	
+341	HW	TIP3	0	5.0187	14.9594	29.795	HW	340	0	0	0	0.417	
+342	HW	TIP3	0	5.0187	14.9594	28.787	HW	340	0	0	0	0.417	
+343	OW	TIP3	0	4.2597	14.9594	32.3743	OW	344	345	0	0	-0.834	
+344	HW	TIP3	0	5.0187	14.9594	32.8783	HW	343	0	0	0	0.417	
+345	HW	TIP3	0	5.0187	14.9594	31.8703	HW	343	0	0	0	0.417	
+346	OW	TIP3	0	7.0995	1.66216	1.54163	OW	347	348	0	0	-0.834	
+347	HW	TIP3	0	7.8585	1.66216	2.04563	HW	346	0	0	0	0.417	
+348	HW	TIP3	0	7.8585	1.66216	1.03763	HW	346	0	0	0	0.417	
+349	OW	TIP3	0	7.0995	1.66216	4.6249	OW	350	351	0	0	-0.834	
+350	HW	TIP3	0	7.8585	1.66216	5.1289	HW	349	0	0	0	0.417	
+351	HW	TIP3	0	7.8585	1.66216	4.1209	HW	349	0	0	0	0.417	
+352	OW	TIP3	0	7.0995	1.66216	7.70816	OW	353	354	0	0	-0.834	
+353	HW	TIP3	0	7.8585	1.66216	8.21216	HW	352	0	0	0	0.417	
+354	HW	TIP3	0	7.8585	1.66216	7.20416	HW	352	0	0	0	0.417	
+355	OW	TIP3	0	7.0995	1.66216	10.7914	OW	356	357	0	0	-0.834	
+356	HW	TIP3	0	7.8585	1.66216	11.2954	HW	355	0	0	0	0.417	
+357	HW	TIP3	0	7.8585	1.66216	10.2874	HW	355	0	0	0	0.417	
+358	OW	TIP3	0	7.0995	1.66216	13.8747	OW	359	360	0	0	-0.834	
+359	HW	TIP3	0	7.8585	1.66216	14.3787	HW	358	0	0	0	0.417	
+360	HW	TIP3	0	7.8585	1.66216	13.3707	HW	358	0	0	0	0.417	
+361	OW	TIP3	0	7.0995	1.66216	16.958	OW	362	363	0	0	-0.834	
+362	HW	TIP3	0	7.8585	1.66216	17.4619	HW	361	0	0	0	0.417	
+363	HW	TIP3	0	7.8585	1.66216	16.454	HW	361	0	0	0	0.417	
+364	OW	TIP3	0	7.0995	1.66216	20.0412	OW	365	366	0	0	-0.834	
+365	HW	TIP3	0	7.8585	1.66216	20.5452	HW	364	0	0	0	0.417	
+366	HW	TIP3	0	7.8585	1.66216	19.5372	HW	364	0	0	0	0.417	
+367	OW	TIP3	0	7.0995	1.66216	23.1245	OW	368	369	0	0	-0.834	
+368	HW	TIP3	0	7.8585	1.66216	23.6285	HW	367	0	0	0	0.417	
+369	HW	TIP3	0	7.8585	1.66216	22.6205	HW	367	0	0	0	0.417	
+370	OW	TIP3	0	7.0995	1.66216	26.2077	OW	371	372	0	0	-0.834	
+371	HW	TIP3	0	7.8585	1.66216	26.7117	HW	370	0	0	0	0.417	
+372	HW	TIP3	0	7.8585	1.66216	25.7037	HW	370	0	0	0	0.417	
+373	OW	TIP3	0	7.0995	1.66216	29.291	OW	374	375	0	0	-0.834	
+374	HW	TIP3	0	7.8585	1.66216	29.795	HW	373	0	0	0	0.417	
+375	HW	TIP3	0	7.8585	1.66216	28.787	HW	373	0	0	0	0.417	
+376	OW	TIP3	0	7.0995	1.66216	32.3743	OW	377	378	0	0	-0.834	
+377	HW	TIP3	0	7.8585	1.66216	32.8783	HW	376	0	0	0	0.417	
+378	HW	TIP3	0	7.8585	1.66216	31.8703	HW	376	0	0	0	0.417	
+379	OW	TIP3	0	7.0995	4.98648	1.54163	OW	380	381	0	0	-0.834	
+380	HW	TIP3	0	7.8585	4.98648	2.04563	HW	379	0	0	0	0.417	
+381	HW	TIP3	0	7.8585	4.98648	1.03763	HW	379	0	0	0	0.417	
+382	OW	TIP3	0	7.0995	4.98648	4.6249	OW	383	384	0	0	-0.834	
+383	HW	TIP3	0	7.8585	4.98648	5.1289	HW	382	0	0	0	0.417	
+384	HW	TIP3	0	7.8585	4.98648	4.1209	HW	382	0	0	0	0.417	
+385	OW	TIP3	0	7.0995	4.98648	10.7914	OW	386	387	0	0	-0.834	
+386	HW	TIP3	0	7.8585	4.98648	11.2954	HW	385	0	0	0	0.417	
+387	HW	TIP3	0	7.8585	4.98648	10.2874	HW	385	0	0	0	0.417	
+388	OW	TIP3	0	7.0995	4.98648	32.3743	OW	389	390	0	0	-0.834	
+389	HW	TIP3	0	7.8585	4.98648	32.8783	HW	388	0	0	0	0.417	
+390	HW	TIP3	0	7.8585	4.98648	31.8703	HW	388	0	0	0	0.417	
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+392	HW	TIP3	0	7.8585	8.3108	2.04563	HW	391	0	0	0	0.417	
+393	HW	TIP3	0	7.8585	8.3108	1.03763	HW	391	0	0	0	0.417	
+394	OW	TIP3	0	7.0995	8.3108	32.3743	OW	395	396	0	0	-0.834	
+395	HW	TIP3	0	7.8585	8.3108	32.8783	HW	394	0	0	0	0.417	
+396	HW	TIP3	0	7.8585	8.3108	31.8703	HW	394	0	0	0	0.417	
+397	OW	TIP3	0	7.0995	11.6351	1.54163	OW	398	399	0	0	-0.834	
+398	HW	TIP3	0	7.8585	11.6351	2.04563	HW	397	0	0	0	0.417	
+399	HW	TIP3	0	7.8585	11.6351	1.03763	HW	397	0	0	0	0.417	
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+401	HW	TIP3	0	7.8585	11.6351	20.5452	HW	400	0	0	0	0.417	
+402	HW	TIP3	0	7.8585	11.6351	19.5372	HW	400	0	0	0	0.417	
+403	OW	TIP3	0	7.0995	11.6351	23.1245	OW	404	405	0	0	-0.834	
+404	HW	TIP3	0	7.8585	11.6351	23.6285	HW	403	0	0	0	0.417	
+405	HW	TIP3	0	7.8585	11.6351	22.6205	HW	403	0	0	0	0.417	
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+407	HW	TIP3	0	7.8585	11.6351	29.795	HW	406	0	0	0	0.417	
+408	HW	TIP3	0	7.8585	11.6351	28.787	HW	406	0	0	0	0.417	
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+410	HW	TIP3	0	7.8585	11.6351	32.8783	HW	409	0	0	0	0.417	
+411	HW	TIP3	0	7.8585	11.6351	31.8703	HW	409	0	0	0	0.417	
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+413	HW	TIP3	0	7.8585	14.9594	2.04563	HW	412	0	0	0	0.417	
+414	HW	TIP3	0	7.8585	14.9594	1.03763	HW	412	0	0	0	0.417	
+415	OW	TIP3	0	7.0995	14.9594	4.6249	OW	416	417	0	0	-0.834	
+416	HW	TIP3	0	7.8585	14.9594	5.1289	HW	415	0	0	0	0.417	
+417	HW	TIP3	0	7.8585	14.9594	4.1209	HW	415	0	0	0	0.417	
+418	OW	TIP3	0	7.0995	14.9594	7.70816	OW	419	420	0	0	-0.834	
+419	HW	TIP3	0	7.8585	14.9594	8.21216	HW	418	0	0	0	0.417	
+420	HW	TIP3	0	7.8585	14.9594	7.20416	HW	418	0	0	0	0.417	
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+422	HW	TIP3	0	7.8585	14.9594	11.2954	HW	421	0	0	0	0.417	
+423	HW	TIP3	0	7.8585	14.9594	10.2874	HW	421	0	0	0	0.417	
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+425	HW	TIP3	0	7.8585	14.9594	14.3787	HW	424	0	0	0	0.417	
+426	HW	TIP3	0	7.8585	14.9594	13.3707	HW	424	0	0	0	0.417	
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+428	HW	TIP3	0	7.8585	14.9594	17.4619	HW	427	0	0	0	0.417	
+429	HW	TIP3	0	7.8585	14.9594	16.454	HW	427	0	0	0	0.417	
+430	OW	TIP3	0	7.0995	14.9594	20.0412	OW	431	432	0	0	-0.834	
+431	HW	TIP3	0	7.8585	14.9594	20.5452	HW	430	0	0	0	0.417	
+432	HW	TIP3	0	7.8585	14.9594	19.5372	HW	430	0	0	0	0.417	
+433	OW	TIP3	0	7.0995	14.9594	23.1245	OW	434	435	0	0	-0.834	
+434	HW	TIP3	0	7.8585	14.9594	23.6285	HW	433	0	0	0	0.417	
+435	HW	TIP3	0	7.8585	14.9594	22.6205	HW	433	0	0	0	0.417	
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+437	HW	TIP3	0	7.8585	14.9594	26.7117	HW	436	0	0	0	0.417	
+438	HW	TIP3	0	7.8585	14.9594	25.7037	HW	436	0	0	0	0.417	
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+440	HW	TIP3	0	7.8585	14.9594	29.795	HW	439	0	0	0	0.417	
+441	HW	TIP3	0	7.8585	14.9594	28.787	HW	439	0	0	0	0.417	
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+443	HW	TIP3	0	7.8585	14.9594	32.8783	HW	442	0	0	0	0.417	
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+453	HW	TIP3	0	10.6983	1.66216	7.20416	HW	451	0	0	0	0.417	
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+472	OW	TIP3	0	9.9393	1.66216	29.291	OW	473	474	0	0	-0.834	
+473	HW	TIP3	0	10.6983	1.66216	29.795	HW	472	0	0	0	0.417	
+474	HW	TIP3	0	10.6983	1.66216	28.787	HW	472	0	0	0	0.417	
+475	OW	TIP3	0	9.9393	1.66216	32.3743	OW	476	477	0	0	-0.834	
+476	HW	TIP3	0	10.6983	1.66216	32.8783	HW	475	0	0	0	0.417	
+477	HW	TIP3	0	10.6983	1.66216	31.8703	HW	475	0	0	0	0.417	
+478	OW	TIP3	0	9.9393	4.98648	1.54163	OW	479	480	0	0	-0.834	
+479	HW	TIP3	0	10.6983	4.98648	2.04563	HW	478	0	0	0	0.417	
+480	HW	TIP3	0	10.6983	4.98648	1.03763	HW	478	0	0	0	0.417	
+481	OW	TIP3	0	9.9393	4.98648	4.6249	OW	482	483	0	0	-0.834	
+482	HW	TIP3	0	10.6983	4.98648	5.1289	HW	481	0	0	0	0.417	
+483	HW	TIP3	0	10.6983	4.98648	4.1209	HW	481	0	0	0	0.417	
+484	OW	TIP3	0	9.9393	4.98648	7.70816	OW	485	486	0	0	-0.834	
+485	HW	TIP3	0	10.6983	4.98648	8.21216	HW	484	0	0	0	0.417	
+486	HW	TIP3	0	10.6983	4.98648	7.20416	HW	484	0	0	0	0.417	
+487	OW	TIP3	0	9.9393	4.98648	10.7914	OW	488	489	0	0	-0.834	
+488	HW	TIP3	0	10.6983	4.98648	11.2954	HW	487	0	0	0	0.417	
+489	HW	TIP3	0	10.6983	4.98648	10.2874	HW	487	0	0	0	0.417	
+490	OW	TIP3	0	9.9393	4.98648	16.958	OW	491	492	0	0	-0.834	
+491	HW	TIP3	0	10.6983	4.98648	17.4619	HW	490	0	0	0	0.417	
+492	HW	TIP3	0	10.6983	4.98648	16.454	HW	490	0	0	0	0.417	
+493	OW	TIP3	0	9.9393	4.98648	32.3743	OW	494	495	0	0	-0.834	
+494	HW	TIP3	0	10.6983	4.98648	32.8783	HW	493	0	0	0	0.417	
+495	HW	TIP3	0	10.6983	4.98648	31.8703	HW	493	0	0	0	0.417	
+496	OW	TIP3	0	9.9393	8.3108	1.54163	OW	497	498	0	0	-0.834	
+497	HW	TIP3	0	10.6983	8.3108	2.04563	HW	496	0	0	0	0.417	
+498	HW	TIP3	0	10.6983	8.3108	1.03763	HW	496	0	0	0	0.417	
+499	OW	TIP3	0	9.9393	8.3108	32.3743	OW	500	501	0	0	-0.834	
+500	HW	TIP3	0	10.6983	8.3108	32.8783	HW	499	0	0	0	0.417	
+501	HW	TIP3	0	10.6983	8.3108	31.8703	HW	499	0	0	0	0.417	
+502	OW	TIP3	0	9.9393	11.6351	1.54163	OW	503	504	0	0	-0.834	
+503	HW	TIP3	0	10.6983	11.6351	2.04563	HW	502	0	0	0	0.417	
+504	HW	TIP3	0	10.6983	11.6351	1.03763	HW	502	0	0	0	0.417	
+505	OW	TIP3	0	9.9393	11.6351	13.8747	OW	506	507	0	0	-0.834	
+506	HW	TIP3	0	10.6983	11.6351	14.3787	HW	505	0	0	0	0.417	
+507	HW	TIP3	0	10.6983	11.6351	13.3707	HW	505	0	0	0	0.417	
+508	OW	TIP3	0	9.9393	11.6351	16.958	OW	509	510	0	0	-0.834	
+509	HW	TIP3	0	10.6983	11.6351	17.4619	HW	508	0	0	0	0.417	
+510	HW	TIP3	0	10.6983	11.6351	16.454	HW	508	0	0	0	0.417	
+511	OW	TIP3	0	9.9393	11.6351	20.0412	OW	512	513	0	0	-0.834	
+512	HW	TIP3	0	10.6983	11.6351	20.5452	HW	511	0	0	0	0.417	
+513	HW	TIP3	0	10.6983	11.6351	19.5372	HW	511	0	0	0	0.417	
+514	OW	TIP3	0	9.9393	11.6351	23.1245	OW	515	516	0	0	-0.834	
+515	HW	TIP3	0	10.6983	11.6351	23.6285	HW	514	0	0	0	0.417	
+516	HW	TIP3	0	10.6983	11.6351	22.6205	HW	514	0	0	0	0.417	
+517	OW	TIP3	0	9.9393	11.6351	26.2077	OW	518	519	0	0	-0.834	
+518	HW	TIP3	0	10.6983	11.6351	26.7117	HW	517	0	0	0	0.417	
+519	HW	TIP3	0	10.6983	11.6351	25.7037	HW	517	0	0	0	0.417	
+520	OW	TIP3	0	9.9393	11.6351	29.291	OW	521	522	0	0	-0.834	
+521	HW	TIP3	0	10.6983	11.6351	29.795	HW	520	0	0	0	0.417	
+522	HW	TIP3	0	10.6983	11.6351	28.787	HW	520	0	0	0	0.417	
+523	OW	TIP3	0	9.9393	11.6351	32.3743	OW	524	525	0	0	-0.834	
+524	HW	TIP3	0	10.6983	11.6351	32.8783	HW	523	0	0	0	0.417	
+525	HW	TIP3	0	10.6983	11.6351	31.8703	HW	523	0	0	0	0.417	
+526	OW	TIP3	0	9.9393	14.9594	1.54163	OW	527	528	0	0	-0.834	
+527	HW	TIP3	0	10.6983	14.9594	2.04563	HW	526	0	0	0	0.417	
+528	HW	TIP3	0	10.6983	14.9594	1.03763	HW	526	0	0	0	0.417	
+529	OW	TIP3	0	9.9393	14.9594	4.6249	OW	530	531	0	0	-0.834	
+530	HW	TIP3	0	10.6983	14.9594	5.1289	HW	529	0	0	0	0.417	
+531	HW	TIP3	0	10.6983	14.9594	4.1209	HW	529	0	0	0	0.417	
+532	OW	TIP3	0	9.9393	14.9594	7.70816	OW	533	534	0	0	-0.834	
+533	HW	TIP3	0	10.6983	14.9594	8.21216	HW	532	0	0	0	0.417	
+534	HW	TIP3	0	10.6983	14.9594	7.20416	HW	532	0	0	0	0.417	
+535	OW	TIP3	0	9.9393	14.9594	10.7914	OW	536	537	0	0	-0.834	
+536	HW	TIP3	0	10.6983	14.9594	11.2954	HW	535	0	0	0	0.417	
+537	HW	TIP3	0	10.6983	14.9594	10.2874	HW	535	0	0	0	0.417	
+538	OW	TIP3	0	9.9393	14.9594	13.8747	OW	539	540	0	0	-0.834	
+539	HW	TIP3	0	10.6983	14.9594	14.3787	HW	538	0	0	0	0.417	
+540	HW	TIP3	0	10.6983	14.9594	13.3707	HW	538	0	0	0	0.417	
+541	OW	TIP3	0	9.9393	14.9594	16.958	OW	542	543	0	0	-0.834	
+542	HW	TIP3	0	10.6983	14.9594	17.4619	HW	541	0	0	0	0.417	
+543	HW	TIP3	0	10.6983	14.9594	16.454	HW	541	0	0	0	0.417	
+544	OW	TIP3	0	9.9393	14.9594	20.0412	OW	545	546	0	0	-0.834	
+545	HW	TIP3	0	10.6983	14.9594	20.5452	HW	544	0	0	0	0.417	
+546	HW	TIP3	0	10.6983	14.9594	19.5372	HW	544	0	0	0	0.417	
+547	OW	TIP3	0	9.9393	14.9594	23.1245	OW	548	549	0	0	-0.834	
+548	HW	TIP3	0	10.6983	14.9594	23.6285	HW	547	0	0	0	0.417	
+549	HW	TIP3	0	10.6983	14.9594	22.6205	HW	547	0	0	0	0.417	
+550	OW	TIP3	0	9.9393	14.9594	26.2077	OW	551	552	0	0	-0.834	
+551	HW	TIP3	0	10.6983	14.9594	26.7117	HW	550	0	0	0	0.417	
+552	HW	TIP3	0	10.6983	14.9594	25.7037	HW	550	0	0	0	0.417	
+553	OW	TIP3	0	9.9393	14.9594	29.291	OW	554	555	0	0	-0.834	
+554	HW	TIP3	0	10.6983	14.9594	29.795	HW	553	0	0	0	0.417	
+555	HW	TIP3	0	10.6983	14.9594	28.787	HW	553	0	0	0	0.417	
+556	OW	TIP3	0	9.9393	14.9594	32.3743	OW	557	558	0	0	-0.834	
+557	HW	TIP3	0	10.6983	14.9594	32.8783	HW	556	0	0	0	0.417	
+558	HW	TIP3	0	10.6983	14.9594	31.8703	HW	556	0	0	0	0.417	
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+560	HW	TIP3	0	13.5381	1.66216	2.04563	HW	559	0	0	0	0.417	
+561	HW	TIP3	0	13.5381	1.66216	1.03763	HW	559	0	0	0	0.417	
+562	OW	TIP3	0	12.7791	1.66216	4.6249	OW	563	564	0	0	-0.834	
+563	HW	TIP3	0	13.5381	1.66216	5.1289	HW	562	0	0	0	0.417	
+564	HW	TIP3	0	13.5381	1.66216	4.1209	HW	562	0	0	0	0.417	
+565	OW	TIP3	0	12.7791	1.66216	7.70816	OW	566	567	0	0	-0.834	
+566	HW	TIP3	0	13.5381	1.66216	8.21216	HW	565	0	0	0	0.417	
+567	HW	TIP3	0	13.5381	1.66216	7.20416	HW	565	0	0	0	0.417	
+568	OW	TIP3	0	12.7791	1.66216	10.7914	OW	569	570	0	0	-0.834	
+569	HW	TIP3	0	13.5381	1.66216	11.2954	HW	568	0	0	0	0.417	
+570	HW	TIP3	0	13.5381	1.66216	10.2874	HW	568	0	0	0	0.417	
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+572	HW	TIP3	0	13.5381	1.66216	14.3787	HW	571	0	0	0	0.417	
+573	HW	TIP3	0	13.5381	1.66216	13.3707	HW	571	0	0	0	0.417	
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+575	HW	TIP3	0	13.5381	1.66216	17.4619	HW	574	0	0	0	0.417	
+576	HW	TIP3	0	13.5381	1.66216	16.454	HW	574	0	0	0	0.417	
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+578	HW	TIP3	0	13.5381	1.66216	20.5452	HW	577	0	0	0	0.417	
+579	HW	TIP3	0	13.5381	1.66216	19.5372	HW	577	0	0	0	0.417	
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+581	HW	TIP3	0	13.5381	1.66216	23.6285	HW	580	0	0	0	0.417	
+582	HW	TIP3	0	13.5381	1.66216	22.6205	HW	580	0	0	0	0.417	
+583	OW	TIP3	0	12.7791	1.66216	26.2077	OW	584	585	0	0	-0.834	
+584	HW	TIP3	0	13.5381	1.66216	26.7117	HW	583	0	0	0	0.417	
+585	HW	TIP3	0	13.5381	1.66216	25.7037	HW	583	0	0	0	0.417	
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+587	HW	TIP3	0	13.5381	1.66216	29.795	HW	586	0	0	0	0.417	
+588	HW	TIP3	0	13.5381	1.66216	28.787	HW	586	0	0	0	0.417	
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+590	HW	TIP3	0	13.5381	1.66216	32.8783	HW	589	0	0	0	0.417	
+591	HW	TIP3	0	13.5381	1.66216	31.8703	HW	589	0	0	0	0.417	
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+593	HW	TIP3	0	13.5381	4.98648	2.04563	HW	592	0	0	0	0.417	
+594	HW	TIP3	0	13.5381	4.98648	1.03763	HW	592	0	0	0	0.417	
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+600	HW	TIP3	0	13.5381	4.98648	7.20416	HW	598	0	0	0	0.417	
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+606	HW	TIP3	0	13.5381	4.98648	13.3707	HW	604	0	0	0	0.417	
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+611	HW	TIP3	0	13.5381	4.98648	20.5452	HW	610	0	0	0	0.417	
+612	HW	TIP3	0	13.5381	4.98648	19.5372	HW	610	0	0	0	0.417	
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+618	HW	TIP3	0	13.5381	4.98648	25.7037	HW	616	0	0	0	0.417	
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+620	HW	TIP3	0	13.5381	4.98648	29.795	HW	619	0	0	0	0.417	
+621	HW	TIP3	0	13.5381	4.98648	28.787	HW	619	0	0	0	0.417	
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+623	HW	TIP3	0	13.5381	4.98648	32.8783	HW	622	0	0	0	0.417	
+624	HW	TIP3	0	13.5381	4.98648	31.8703	HW	622	0	0	0	0.417	
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+626	HW	TIP3	0	13.5381	8.3108	2.04563	HW	625	0	0	0	0.417	
+627	HW	TIP3	0	13.5381	8.3108	1.03763	HW	625	0	0	0	0.417	
+628	OW	TIP3	0	12.7791	8.3108	4.6249	OW	629	630	0	0	-0.834	
+629	HW	TIP3	0	13.5381	8.3108	5.1289	HW	628	0	0	0	0.417	
+630	HW	TIP3	0	13.5381	8.3108	4.1209	HW	628	0	0	0	0.417	
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+632	HW	TIP3	0	13.5381	8.3108	8.21216	HW	631	0	0	0	0.417	
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+644	HW	TIP3	0	13.5381	8.3108	20.5452	HW	643	0	0	0	0.417	
+645	HW	TIP3	0	13.5381	8.3108	19.5372	HW	643	0	0	0	0.417	
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+656	HW	TIP3	0	13.5381	8.3108	32.8783	HW	655	0	0	0	0.417	
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+661	OW	TIP3	0	12.7791	11.6351	4.6249	OW	662	663	0	0	-0.834	
+662	HW	TIP3	0	13.5381	11.6351	5.1289	HW	661	0	0	0	0.417	
+663	HW	TIP3	0	13.5381	11.6351	4.1209	HW	661	0	0	0	0.417	
+664	OW	TIP3	0	12.7791	11.6351	7.70816	OW	665	666	0	0	-0.834	
+665	HW	TIP3	0	13.5381	11.6351	8.21216	HW	664	0	0	0	0.417	
+666	HW	TIP3	0	13.5381	11.6351	7.20416	HW	664	0	0	0	0.417	
+667	OW	TIP3	0	12.7791	11.6351	10.7914	OW	668	669	0	0	-0.834	
+668	HW	TIP3	0	13.5381	11.6351	11.2954	HW	667	0	0	0	0.417	
+669	HW	TIP3	0	13.5381	11.6351	10.2874	HW	667	0	0	0	0.417	
+670	OW	TIP3	0	12.7791	11.6351	13.8747	OW	671	672	0	0	-0.834	
+671	HW	TIP3	0	13.5381	11.6351	14.3787	HW	670	0	0	0	0.417	
+672	HW	TIP3	0	13.5381	11.6351	13.3707	HW	670	0	0	0	0.417	
+673	OW	TIP3	0	12.7791	11.6351	16.958	OW	674	675	0	0	-0.834	
+674	HW	TIP3	0	13.5381	11.6351	17.4619	HW	673	0	0	0	0.417	
+675	HW	TIP3	0	13.5381	11.6351	16.454	HW	673	0	0	0	0.417	
+676	OW	TIP3	0	12.7791	11.6351	20.0412	OW	677	678	0	0	-0.834	
+677	HW	TIP3	0	13.5381	11.6351	20.5452	HW	676	0	0	0	0.417	
+678	HW	TIP3	0	13.5381	11.6351	19.5372	HW	676	0	0	0	0.417	
+679	OW	TIP3	0	12.7791	11.6351	23.1245	OW	680	681	0	0	-0.834	
+680	HW	TIP3	0	13.5381	11.6351	23.6285	HW	679	0	0	0	0.417	
+681	HW	TIP3	0	13.5381	11.6351	22.6205	HW	679	0	0	0	0.417	
+682	OW	TIP3	0	12.7791	11.6351	26.2077	OW	683	684	0	0	-0.834	
+683	HW	TIP3	0	13.5381	11.6351	26.7117	HW	682	0	0	0	0.417	
+684	HW	TIP3	0	13.5381	11.6351	25.7037	HW	682	0	0	0	0.417	
+685	OW	TIP3	0	12.7791	11.6351	29.291	OW	686	687	0	0	-0.834	
+686	HW	TIP3	0	13.5381	11.6351	29.795	HW	685	0	0	0	0.417	
+687	HW	TIP3	0	13.5381	11.6351	28.787	HW	685	0	0	0	0.417	
+688	OW	TIP3	0	12.7791	11.6351	32.3743	OW	689	690	0	0	-0.834	
+689	HW	TIP3	0	13.5381	11.6351	32.8783	HW	688	0	0	0	0.417	
+690	HW	TIP3	0	13.5381	11.6351	31.8703	HW	688	0	0	0	0.417	
+691	OW	TIP3	0	12.7791	14.9594	1.54163	OW	692	693	0	0	-0.834	
+692	HW	TIP3	0	13.5381	14.9594	2.04563	HW	691	0	0	0	0.417	
+693	HW	TIP3	0	13.5381	14.9594	1.03763	HW	691	0	0	0	0.417	
+694	OW	TIP3	0	12.7791	14.9594	4.6249	OW	695	696	0	0	-0.834	
+695	HW	TIP3	0	13.5381	14.9594	5.1289	HW	694	0	0	0	0.417	
+696	HW	TIP3	0	13.5381	14.9594	4.1209	HW	694	0	0	0	0.417	
+697	OW	TIP3	0	12.7791	14.9594	7.70816	OW	698	699	0	0	-0.834	
+698	HW	TIP3	0	13.5381	14.9594	8.21216	HW	697	0	0	0	0.417	
+699	HW	TIP3	0	13.5381	14.9594	7.20416	HW	697	0	0	0	0.417	
+700	OW	TIP3	0	12.7791	14.9594	10.7914	OW	701	702	0	0	-0.834	
+701	HW	TIP3	0	13.5381	14.9594	11.2954	HW	700	0	0	0	0.417	
+702	HW	TIP3	0	13.5381	14.9594	10.2874	HW	700	0	0	0	0.417	
+703	OW	TIP3	0	12.7791	14.9594	13.8747	OW	704	705	0	0	-0.834	
+704	HW	TIP3	0	13.5381	14.9594	14.3787	HW	703	0	0	0	0.417	
+705	HW	TIP3	0	13.5381	14.9594	13.3707	HW	703	0	0	0	0.417	
+706	OW	TIP3	0	12.7791	14.9594	16.958	OW	707	708	0	0	-0.834	
+707	HW	TIP3	0	13.5381	14.9594	17.4619	HW	706	0	0	0	0.417	
+708	HW	TIP3	0	13.5381	14.9594	16.454	HW	706	0	0	0	0.417	
+709	OW	TIP3	0	12.7791	14.9594	20.0412	OW	710	711	0	0	-0.834	
+710	HW	TIP3	0	13.5381	14.9594	20.5452	HW	709	0	0	0	0.417	
+711	HW	TIP3	0	13.5381	14.9594	19.5372	HW	709	0	0	0	0.417	
+712	OW	TIP3	0	12.7791	14.9594	23.1245	OW	713	714	0	0	-0.834	
+713	HW	TIP3	0	13.5381	14.9594	23.6285	HW	712	0	0	0	0.417	
+714	HW	TIP3	0	13.5381	14.9594	22.6205	HW	712	0	0	0	0.417	
+715	OW	TIP3	0	12.7791	14.9594	26.2077	OW	716	717	0	0	-0.834	
+716	HW	TIP3	0	13.5381	14.9594	26.7117	HW	715	0	0	0	0.417	
+717	HW	TIP3	0	13.5381	14.9594	25.7037	HW	715	0	0	0	0.417	
+718	OW	TIP3	0	12.7791	14.9594	29.291	OW	719	720	0	0	-0.834	
+719	HW	TIP3	0	13.5381	14.9594	29.795	HW	718	0	0	0	0.417	
+720	HW	TIP3	0	13.5381	14.9594	28.787	HW	718	0	0	0	0.417	
+721	OW	TIP3	0	12.7791	14.9594	32.3743	OW	722	723	0	0	-0.834	
+722	HW	TIP3	0	13.5381	14.9594	32.8783	HW	721	0	0	0	0.417	
+723	HW	TIP3	0	13.5381	14.9594	31.8703	HW	721	0	0	0	0.417	
Index: tests/regression/Filling/RegularGrid/post/tensid.data
===================================================================
--- tests/regression/Filling/RegularGrid/post/tensid.data	(revision 4a4f3d8ce22775957b51c385fd5f8d8a6fb427cc)
+++ 	(revision )
@@ -1,11060 +1,0 @@
-# ATOMDATA	Id	name	resName	chainID	x=3	type	neighbors=4	charge
-# Box	20	0	0	0	20	0	0	0	20
-1	NA	SLES	1	7.07428	-2.18434	43.5576	NA	0	0	0	0	1	
-2	S	SLES	1	5.17764	0.768073	42.5396	SL	3	4	5	6	1.33	
-3	OS1	SLES	1	5.80998	-0.363386	41.4778	OSL	2	7	0	0	-0.28	
-4	OS2	SLES	1	4.30017	0.0424865	43.4346	O2L	2	0	0	0	-0.65	
-5	OS3	SLES	1	6.30341	1.30044	43.2783	O2L	2	0	0	0	-0.65	
-6	OS4	SLES	1	4.44786	1.85171	41.9011	O2L	2	0	0	0	-0.65	
-7	C2	SLES	1	5.31011	-0.111291	40.0969	CC32A	3	8	9	10	-0.11	
-8	H2A	SLES	1	4.18468	-0.0958529	40.0786	HCA2	7	0	0	0	0.09	
-9	H2B	SLES	1	5.69381	0.889903	39.7554	HCA2	7	0	0	0	0.09	
-10	C1	SLES	1	5.85058	-1.25975	39.1198	CC32A	7	11	12	13	-0.01	
-11	H1B	SLES	1	5.54585	-2.2599	39.5053	HCA2	10	0	0	0	0.09	
-12	H1A	SLES	1	6.96351	-1.2194	39.0657	HCA2	10	0	0	0	0.09	
-13	O1	SLES	1	5.41683	-1.29844	37.7097	OC30A	10	14	0	0	-0.34	
-14	C2	SLES	1	4.85058	-0.0835074	37.1751	CC32A	13	15	16	17	-0.01	
-15	H2A	SLES	1	3.96994	0.0623772	37.8308	HCA2	14	0	0	0	0.09	
-16	H2B	SLES	1	5.62189	0.675615	37.4361	HCA2	14	0	0	0	0.09	
-17	C1	SLES	1	4.42363	0.0942148	35.6839	CC32A	14	18	19	20	-0.01	
-18	H1B	SLES	1	3.35619	-0.192016	35.5627	HCA2	17	0	0	0	0.09	
-19	H1A	SLES	1	4.54128	1.15752	35.3939	HCA2	17	0	0	0	0.09	
-20	O1	SLES	1	5.01603	-0.666656	34.5826	OC30A	17	21	0	0	-0.34	
-21	C1	SLES	1	5.04326	0.0332149	33.2851	CTL2	20	22	23	24	-0.18	
-22	H11	SLES	1	4.42192	0.940877	33.3913	HAL2	21	0	0	0	0.09	
-23	H12	SLES	1	6.10887	0.336632	33.2245	HAL2	21	0	0	0	0.09	
-24	C2	SLES	1	4.63118	-0.740536	31.9707	CTL2	21	25	26	27	-0.18	
-25	H21	SLES	1	4.31934	-1.77472	32.2391	HAL2	24	0	0	0	0.09	
-26	H22	SLES	1	5.51619	-0.812638	31.3013	HAL2	24	0	0	0	0.09	
-27	C3	SLES	1	3.43217	-0.0194775	31.1827	CTL2	24	28	29	30	-0.18	
-28	H31	SLES	1	2.48992	-0.582784	31.3648	HAL2	27	0	0	0	0.09	
-29	H32	SLES	1	3.29928	1.00439	31.5855	HAL2	27	0	0	0	0.09	
-30	C4	SLES	1	3.68329	0.0710401	29.6204	CTL2	27	31	32	33	-0.18	
-31	H41	SLES	1	3.0844	-0.714336	29.1138	HAL2	30	0	0	0	0.09	
-32	H42	SLES	1	4.75634	-0.128388	29.411	HAL2	30	0	0	0	0.09	
-33	C5	SLES	1	3.2937	1.49546	29.017	CTL2	30	34	35	36	-0.18	
-34	H51	SLES	1	2.62789	2.02394	29.7346	HAL2	33	0	0	0	0.09	
-35	H52	SLES	1	4.21908	2.10392	28.8971	HAL2	33	0	0	0	0.09	
-36	C6	SLES	1	2.56377	1.39347	27.6248	CTL2	33	37	38	39	-0.18	
-37	H61	SLES	1	1.53321	1.00367	27.7832	HAL2	36	0	0	0	0.09	
-38	H62	SLES	1	2.48041	2.41437	27.1841	HAL2	36	0	0	0	0.09	
-39	C7	SLES	1	3.31048	0.464015	26.6164	CTL2	36	40	41	42	-0.18	
-40	H71	SLES	1	3.05223	-0.594905	26.8395	HAL2	39	0	0	0	0.09	
-41	H72	SLES	1	4.40809	0.586053	26.7532	HAL2	39	0	0	0	0.09	
-42	C8	SLES	1	2.94832	0.770338	25.1418	CTL2	39	43	44	45	-0.18	
-43	H81	SLES	1	1.84242	0.871867	25.0519	HAL2	42	0	0	0	0.09	
-44	H82	SLES	1	3.40802	1.74153	24.8484	HAL2	42	0	0	0	0.09	
-45	C9	SLES	1	3.43572	-0.334343	24.171	CTL2	42	46	47	48	-0.18	
-46	H91	SLES	1	2.99911	-1.31029	24.4829	HAL2	45	0	0	0	0.09	
-47	H92	SLES	1	4.54385	-0.415843	24.2411	HAL2	45	0	0	0	0.09	
-48	C10	SLES	1	3.04229	-0.0525604	22.7016	CTL2	45	49	50	51	-0.18	
-49	H10	SLES	1	1.93242	0.00582877	22.6271	HAL2	48	0	0	0	0.09	
-50	H10	SLES	1	3.45991	0.933459	22.396	HAL2	48	0	0	0	0.09	
-51	C11	SLES	1	3.55856	-1.14523	21.7282	CTL2	48	52	53	54	-0.18	
-52	H11	SLES	1	3.13268	-2.12824	22.0339	HAL2	51	0	0	0	0.09	
-53	H11	SLES	1	4.66677	-1.21228	21.8194	HAL2	51	0	0	0	0.09	
-54	C12	SLES	1	3.19432	-0.88269	20.244	CTL3	51	55	56	57	-0.27	
-55	H12	SLES	1	2.58607	-1.72229	19.8409	HAL3	54	0	0	0	0.09	
-56	H12	SLES	1	4.11733	-0.787318	19.6305	HAL3	54	0	0	0	0.09	
-57	H12	SLES	1	2.6076	0.0569904	20.1497	HAL3	54	0	0	0	0.09	
-58	NA	SLES	1	-1.56123	2.82056	44.0646	NA	0	0	0	0	1	
-59	S	SLES	1	-3.21206	5.60548	42.3707	SL	60	61	62	63	1.33	
-60	OS1	SLES	1	-2.38905	4.37445	41.5867	OSL	59	64	0	0	-0.28	
-61	OS2	SLES	1	-4.24986	4.96825	43.1545	O2L	59	0	0	0	-0.65	
-62	OS3	SLES	1	-2.24995	6.23762	43.2489	O2L	59	0	0	0	-0.65	
-63	OS4	SLES	1	-3.79936	6.59748	41.4844	O2L	59	0	0	0	-0.65	
-64	C2	SLES	1	-2.60919	4.46162	40.1155	CC32A	60	65	66	67	-0.11	
-65	H2A	SLES	1	-3.70939	4.45418	39.8775	HCA2	64	0	0	0	0.09	
-66	H2B	SLES	1	-2.16256	5.42535	39.7441	HCA2	64	0	0	0	0.09	
-67	C1	SLES	1	-1.89285	3.22146	39.3981	CC32A	64	68	69	70	-0.01	
-68	H1B	SLES	1	-2.2706	2.26513	39.8277	HCA2	67	0	0	0	0.09	
-69	H1A	SLES	1	-0.790602	3.27602	39.5569	HCA2	67	0	0	0	0.09	
-70	O1	SLES	1	-2.04353	3.01767	37.9443	OC30A	67	71	0	0	-0.34	
-71	C2	SLES	1	-2.49018	4.15472	37.176	CC32A	70	72	73	74	-0.01	
-72	H2A	SLES	1	-3.48122	4.35662	37.6276	HCA2	71	0	0	0	0.09	
-73	H2B	SLES	1	-1.78175	4.95231	37.4943	HCA2	71	0	0	0	0.09	
-74	C1	SLES	1	-2.61758	4.15704	35.6201	CC32A	71	75	76	77	-0.01	
-75	H1B	SLES	1	-3.64195	3.83945	35.3271	HCA2	74	0	0	0	0.09	
-76	H1A	SLES	1	-2.44169	5.18333	35.2401	HCA2	74	0	0	0	0.09	
-77	O1	SLES	1	-1.82466	3.28907	34.7479	OC30A	74	78	0	0	-0.34	
-78	C1	SLES	1	-1.54242	3.84017	33.4097	CTL2	77	79	80	81	-0.18	
-79	H11	SLES	1	-2.16916	4.74241	33.29	HAL2	78	0	0	0	0.09	
-80	H12	SLES	1	-0.484308	4.15451	33.5232	HAL2	78	0	0	0	0.09	
-81	C2	SLES	1	-1.6932	2.91711	32.1364	CTL2	78	82	83	84	-0.18	
-82	H21	SLES	1	-2.0552	1.91377	32.4543	HAL2	81	0	0	0	0.09	
-83	H22	SLES	1	-0.694934	2.78708	31.664	HAL2	81	0	0	0	0.09	
-84	C3	SLES	1	-2.71291	3.52352	31.0543	CTL2	81	85	86	87	-0.18	
-85	H31	SLES	1	-3.67465	2.96678	31.1124	HAL2	84	0	0	0	0.09	
-86	H32	SLES	1	-2.91798	4.58332	31.3053	HAL2	84	0	0	0	0.09	
-87	C4	SLES	1	-2.16169	3.44375	29.5703	CTL2	84	88	89	90	-0.18	
-88	H41	SLES	1	-2.65323	2.59584	29.0492	HAL2	87	0	0	0	0.09	
-89	H42	SLES	1	-1.06916	3.24201	29.5972	HAL2	87	0	0	0	0.09	
-90	C5	SLES	1	-2.4209	4.78452	28.7458	CTL2	87	91	92	93	-0.18	
-91	H51	SLES	1	-3.21185	5.37741	29.256	HAL2	90	0	0	0	0.09	
-92	H52	SLES	1	-1.48765	5.39275	28.7398	HAL2	90	0	0	0	0.09	
-93	C6	SLES	1	-2.86578	4.51438	27.259	CTL2	90	94	95	96	-0.18	
-94	H61	SLES	1	-3.90888	4.12576	27.2573	HAL2	93	0	0	0	0.09	
-95	H62	SLES	1	-2.85784	5.47801	26.6979	HAL2	93	0	0	0	0.09	
-96	C7	SLES	1	-1.94027	3.49213	26.5264	CTL2	93	97	98	99	-0.18	
-97	H71	SLES	1	-2.24097	2.46013	26.8133	HAL2	96	0	0	0	0.09	
-98	H72	SLES	1	-0.889924	3.64886	26.8589	HAL2	96	0	0	0	0.09	
-99	C8	SLES	1	-2.00686	3.62526	24.9845	CTL2	96	100	101	102	-0.18	
-100	H81	SLES	1	-3.07364	3.69573	24.6708	HAL2	99	0	0	0	0.09	
-101	H82	SLES	1	-1.49519	4.56595	24.6781	HAL2	99	0	0	0	0.09	
-102	C9	SLES	1	-1.34365	2.42832	24.258	CTL2	99	103	104	105	-0.18	
-103	H91	SLES	1	-1.83629	1.48539	24.5875	HAL2	102	0	0	0	0.09	
-104	H92	SLES	1	-0.270742	2.37558	24.5506	HAL2	102	0	0	0	0.09	
-105	C10	SLES	1	-1.44202	2.53707	22.7179	CTL2	102	106	107	108	-0.18	
-106	H10	SLES	1	-2.51584	2.56632	22.4233	HAL2	105	0	0	0	0.09	
-107	H10	SLES	1	-0.969179	3.49036	22.3898	HAL2	105	0	0	0	0.09	
-108	C11	SLES	1	-0.749936	1.3523	21.9931	CTL2	105	109	110	111	-0.18	
-109	H11	SLES	1	-1.23088	0.401874	22.3195	HAL2	108	0	0	0	0.09	
-110	H11	SLES	1	0.318963	1.31629	22.3047	HAL2	108	0	0	0	0.09	
-111	C12	SLES	1	-0.816856	1.44083	20.4465	CTL3	108	112	113	114	-0.27	
-112	H12	SLES	1	-1.33797	0.550431	20.0306	HAL3	111	0	0	0	0.09	
-113	H12	SLES	1	0.208378	1.48414	20.0171	HAL3	111	0	0	0	0.09	
-114	H12	SLES	1	-1.37046	2.35315	20.1345	HAL3	111	0	0	0	0.09	
-115	NA	SLES	1	-1.54505	-7.16121	43.5708	NA	0	0	0	0	1	
-116	S	SLES	1	-3.21775	-4.07919	42.5443	SL	117	118	119	120	1.33	
-117	OS1	SLES	1	-2.38636	-5.09656	41.5045	OSL	116	121	0	0	-0.28	
-118	OS2	SLES	1	-4.25018	-4.88382	43.1641	O2L	116	0	0	0	-0.65	
-119	OS3	SLES	1	-2.25958	-3.65342	43.5429	O2L	116	0	0	0	-0.65	
-120	OS4	SLES	1	-3.81308	-2.91781	41.903	O2L	116	0	0	0	-0.65	
-121	C2	SLES	1	-2.60836	-4.68278	40.0904	CC32A	117	122	123	124	-0.11	
-122	H2A	SLES	1	-3.70868	-4.64466	39.8559	HCA2	121	0	0	0	0.09	
-123	H2B	SLES	1	-2.16915	-3.65697	39.9452	HCA2	121	0	0	0	0.09	
-124	C1	SLES	1	-1.88352	-5.7248	39.1133	CC32A	121	125	126	127	-0.01	
-125	H1B	SLES	1	-2.25386	-6.75593	39.3168	HCA2	124	0	0	0	0.09	
-126	H1A	SLES	1	-0.781567	-5.69918	39.2812	HCA2	124	0	0	0	0.09	
-127	O1	SLES	1	-2.03391	-5.5979	37.6507	OC30A	124	128	0	0	-0.34	
-128	C2	SLES	1	-2.48956	-4.32066	37.1571	CC32A	127	129	130	131	-0.01	
-129	H2A	SLES	1	-3.48168	-4.23266	37.6417	HCA2	128	0	0	0	0.09	
-130	H2B	SLES	1	-1.78676	-3.60975	37.6471	HCA2	128	0	0	0	0.09	
-131	C1	SLES	1	-2.61828	-3.96982	35.6414	CC32A	128	132	133	134	-0.01	
-132	H1B	SLES	1	-3.64053	-4.22101	35.2837	HCA2	131	0	0	0	0.09	
-133	H1A	SLES	1	-2.45027	-2.88313	35.5017	HCA2	131	0	0	0	0.09	
-134	O1	SLES	1	-1.81972	-4.61383	34.5971	OC30A	131	135	0	0	-0.34	
-135	C1	SLES	1	-1.54266	-3.77417	33.4172	CTL2	134	136	137	138	-0.18	
-136	H11	SLES	1	-2.17613	-2.87272	33.5027	HAL2	135	0	0	0	0.09	
-137	H12	SLES	1	-0.486803	-3.48557	33.5993	HAL2	135	0	0	0	0.09	
-138	C2	SLES	1	-1.68771	-4.38868	31.9689	CTL2	135	139	140	141	-0.18	
-139	H21	SLES	1	-2.04205	-5.44043	32.053	HAL2	138	0	0	0	0.09	
-140	H22	SLES	1	-0.688914	-4.40193	31.4803	HAL2	138	0	0	0	0.09	
-141	C3	SLES	1	-2.71276	-3.56223	31.0499	CTL2	138	142	143	144	-0.18	
-142	H31	SLES	1	-3.67033	-4.12487	30.9807	HAL2	141	0	0	0	0.09	
-143	H32	SLES	1	-2.92542	-2.58743	31.5323	HAL2	141	0	0	0	0.09	
-144	C4	SLES	1	-2.16222	-3.30258	29.5864	CTL2	141	145	146	147	-0.18	
-145	H41	SLES	1	-2.64794	-4.01535	28.8877	HAL2	144	0	0	0	0.09	
-146	H42	SLES	1	-1.06821	-3.49714	29.5682	HAL2	144	0	0	0	0.09	
-147	C5	SLES	1	-2.43198	-1.81279	29.0839	CTL2	144	148	149	150	-0.18	
-148	H51	SLES	1	-3.22685	-1.3555	29.7136	HAL2	147	0	0	0	0.09	
-149	H52	SLES	1	-1.50323	-1.2119	29.2154	HAL2	147	0	0	0	0.09	
-150	C6	SLES	1	-2.87611	-1.74533	27.574	CTL2	147	151	152	153	-0.18	
-151	H61	SLES	1	-3.91631	-2.13131	27.4842	HAL2	150	0	0	0	0.09	
-152	H62	SLES	1	-2.87573	-0.680254	27.2438	HAL2	150	0	0	0	0.09	
-153	C7	SLES	1	-1.94371	-2.57005	26.6313	CTL2	150	154	155	156	-0.18	
-154	H71	SLES	1	-2.23656	-3.64231	26.6788	HAL2	153	0	0	0	0.09	
-155	H72	SLES	1	-0.894266	-2.48428	26.9914	HAL2	153	0	0	0	0.09	
-156	C8	SLES	1	-2.01257	-2.09447	25.1587	CTL2	153	157	158	159	-0.18	
-157	H81	SLES	1	-3.0801	-1.96318	24.8679	HAL2	156	0	0	0	0.09	
-158	H82	SLES	1	-1.50809	-1.10524	25.0718	HAL2	156	0	0	0	0.09	
-159	C9	SLES	1	-1.34117	-3.09271	24.1824	CTL2	156	160	161	162	-0.18	
-160	H91	SLES	1	-1.82658	-4.08915	24.2912	HAL2	159	0	0	0	0.09	
-161	H92	SLES	1	-0.267661	-3.20193	24.4566	HAL2	159	0	0	0	0.09	
-162	C10	SLES	1	-1.44163	-2.64152	22.706	CTL2	159	163	164	165	-0.18	
-163	H10	SLES	1	-2.51589	-2.55474	22.4246	HAL2	162	0	0	0	0.09	
-164	H10	SLES	1	-0.976095	-1.63542	22.6008	HAL2	162	0	0	0	0.09	
-165	C11	SLES	1	-0.741451	-3.62808	21.7342	CTL2	162	166	167	168	-0.18	
-166	H11	SLES	1	-1.21511	-4.63103	21.8383	HAL2	165	0	0	0	0.09	
-167	H11	SLES	1	0.327945	-3.72529	22.0307	HAL2	165	0	0	0	0.09	
-168	C12	SLES	1	-0.810316	-3.19488	20.2469	CTL3	165	169	170	171	-0.27	
-169	H12	SLES	1	-1.32521	-3.97291	19.6412	HAL3	168	0	0	0	0.09	
-170	H12	SLES	1	0.214211	-3.04868	19.8391	HAL3	168	0	0	0	0.09	
-171	H12	SLES	1	-1.37089	-2.2399	20.1474	HAL3	168	0	0	0	0.09	
-172	NA	SLES	1	18.1068	-2.18434	40.2425	NA	0	0	0	0	1	
-173	S	SLES	1	16.0113	0.768073	39.75	SL	174	175	176	177	1.33	
-174	OS1	SLES	1	16.3473	-0.363386	38.5607	OSL	173	178	0	0	-0.28	
-175	OS2	SLES	1	15.3953	0.0424865	40.8416	O2L	173	0	0	0	-0.65	
-176	OS3	SLES	1	17.2899	1.30044	40.1722	O2L	173	0	0	0	-0.65	
-177	OS4	SLES	1	15.1411	1.85171	39.3222	O2L	173	0	0	0	-0.65	
-178	C2	SLES	1	15.507	-0.111291	37.3563	CC32A	174	179	180	181	-0.11	
-179	H2A	SLES	1	14.4152	-0.0958529	37.6299	HCA2	178	0	0	0	0.09	
-180	H2B	SLES	1	15.7892	0.889903	36.9271	HCA2	178	0	0	0	0.09	
-181	C1	SLES	1	15.7762	-1.25975	36.2726	CC32A	178	182	183	184	-0.01	
-182	H1B	SLES	1	15.5816	-2.2599	36.7238	HCA2	181	0	0	0	0.09	
-183	H1A	SLES	1	16.8372	-1.2194	35.9323	HCA2	181	0	0	0	0.09	
-184	O1	SLES	1	14.9923	-1.29844	35.0228	OC30A	181	185	0	0	-0.34	
-185	C2	SLES	1	14.3069	-0.0835074	34.6529	CC32A	184	186	187	188	-0.01	
-186	H2A	SLES	1	13.626	0.0623772	35.5143	HCA2	185	0	0	0	0.09	
-187	H2B	SLES	1	15.1195	0.675615	34.7055	HCA2	185	0	0	0	0.09	
-188	C1	SLES	1	13.5086	0.0942148	33.3231	CC32A	185	189	190	191	-0.01	
-189	H1B	SLES	1	12.4461	-0.192016	33.4823	HCA2	188	0	0	0	0.09	
-190	H1A	SLES	1	13.5472	1.15752	33.0125	HCA2	188	0	0	0	0.09	
-191	O1	SLES	1	13.7958	-0.666656	32.106	OC30A	188	192	0	0	-0.34	
-192	C1	SLES	1	13.4862	0.0332149	30.8457	CTL2	191	193	194	195	-0.18	
-193	H11	SLES	1	12.9136	0.940877	31.109	HAL2	192	0	0	0	0.09	
-194	H12	SLES	1	14.4998	0.336632	30.5113	HAL2	192	0	0	0	0.09	
-195	C2	SLES	1	12.748	-0.740536	29.6827	CTL2	192	196	197	198	-0.18	
-196	H21	SLES	1	12.5163	-1.77472	30.0226	HAL2	195	0	0	0	0.09	
-197	H22	SLES	1	13.4296	-0.812638	28.807	HAL2	195	0	0	0	0.09	
-198	C3	SLES	1	11.3859	-0.0194775	29.2319	CTL2	195	199	200	201	-0.18	
-199	H31	SLES	1	10.5229	-0.582784	29.6516	HAL2	198	0	0	0	0.09	
-200	H32	SLES	1	11.3618	1.00439	29.6554	HAL2	198	0	0	0	0.09	
-201	C4	SLES	1	11.2241	0.0710401	27.6578	CTL2	198	202	203	204	-0.18	
-202	H41	SLES	1	10.5145	-0.714336	27.3234	HAL2	201	0	0	0	0.09	
-203	H42	SLES	1	12.2064	-0.128388	27.1779	HAL2	201	0	0	0	0.09	
-204	C5	SLES	1	10.6916	1.49546	27.1758	CTL2	201	205	206	207	-0.18	
-205	H51	SLES	1	10.2342	2.02394	28.0412	HAL2	204	0	0	0	0.09	
-206	H52	SLES	1	11.5544	2.10392	26.8205	HAL2	204	0	0	0	0.09	
-207	C6	SLES	1	9.62624	1.39347	26.02	CTL2	204	208	209	210	-0.18	
-208	H61	SLES	1	8.67178	1.00367	26.4397	HAL2	207	0	0	0	0.09	
-209	H62	SLES	1	9.43165	2.41437	25.6158	HAL2	207	0	0	0	0.09	
-210	C7	SLES	1	10.0865	0.464015	24.8527	CTL2	207	211	212	213	-0.18	
-211	H71	SLES	1	9.8948	-0.594905	25.135	HAL2	210	0	0	0	0.09	
-212	H72	SLES	1	11.1821	0.586053	24.7007	HAL2	210	0	0	0	0.09	
-213	C8	SLES	1	9.35503	0.770338	23.522	CTL2	210	214	215	216	-0.18	
-214	H81	SLES	1	8.26356	0.871867	23.7215	HAL2	213	0	0	0	0.09	
-215	H82	SLES	1	9.72314	1.74153	23.1197	HAL2	213	0	0	0	0.09	
-216	C9	SLES	1	9.57457	-0.334343	22.4582	CTL2	213	217	218	219	-0.18	
-217	H91	SLES	1	9.23355	-1.31029	22.8724	HAL2	216	0	0	0	0.09	
-218	H92	SLES	1	10.6631	-0.415843	22.239	HAL2	216	0	0	0	0.09	
-219	C10	SLES	1	8.81423	-0.0525604	21.1407	CTL2	216	220	221	222	-0.18	
-220	H10	SLES	1	7.72289	0.00582877	21.3559	HAL2	219	0	0	0	0.09	
-221	H10	SLES	1	9.13853	0.933459	20.7374	HAL2	219	0	0	0	0.09	
-222	C11	SLES	1	9.06098	-1.14523	20.0668	CTL2	219	223	224	225	-0.18	
-223	H11	SLES	1	8.72873	-2.12824	20.4723	HAL2	222	0	0	0	0.09	
-224	H11	SLES	1	10.155	-1.21228	19.8681	HAL2	222	0	0	0	0.09	
-225	C12	SLES	1	8.325	-0.88269	18.7274	CTL3	222	226	227	228	-0.27	
-226	H12	SLES	1	7.63316	-1.72229	18.4955	HAL3	225	0	0	0	0.09	
-227	H12	SLES	1	9.05779	-0.787318	17.896	HAL3	225	0	0	0	0.09	
-228	H12	SLES	1	7.73388	0.0569904	18.7882	HAL3	225	0	0	0	0.09	
-229	NA	SLES	1	14.9971	7.74656	40.8309	NA	0	0	0	0	1	
-230	S	SLES	1	12.8406	10.4019	39.5466	SL	231	232	233	234	1.33	
-231	OS1	SLES	1	13.3086	9.05423	38.6678	OSL	230	235	0	0	-0.28	
-232	OS2	SLES	1	12.1685	9.90492	40.7293	O2L	230	0	0	0	-0.65	
-233	OS3	SLES	1	14.0625	11.0811	39.9236	O2L	230	0	0	0	-0.65	
-234	OS4	SLES	1	11.9676	11.3164	38.8283	O2L	230	0	0	0	-0.65	
-235	C2	SLES	1	12.5558	8.98848	37.3836	CC32A	231	236	237	238	-0.11	
-236	H2A	SLES	1	11.4462	9.0067	37.5723	HCA2	235	0	0	0	0.09	
-237	H2B	SLES	1	12.834	9.88306	36.7602	HCA2	235	0	0	0	0.09	
-238	C1	SLES	1	12.9496	7.64417	36.6067	CC32A	235	239	240	241	-0.01	
-239	H1B	SLES	1	12.7569	6.76012	37.2572	HCA2	238	0	0	0	0.09	
-240	H1A	SLES	1	14.0316	7.66388	36.3385	HCA2	238	0	0	0	0.09	
-241	O1	SLES	1	12.2669	7.28821	35.3477	OC30A	238	242	0	0	-0.34	
-242	C2	SLES	1	11.5688	8.35312	34.6685	CC32A	241	243	244	245	-0.01	
-243	H2A	SLES	1	10.8183	8.65027	35.427	HCA2	242	0	0	0	0.09	
-244	H2B	SLES	1	12.3469	9.1467	34.6037	HCA2	242	0	0	0	0.09	
-245	C1	SLES	1	10.8701	8.18938	33.2821	CC32A	242	246	247	248	-0.01	
-246	H1B	SLES	1	9.80961	7.89004	33.4294	HCA2	245	0	0	0	0.09	
-247	H1A	SLES	1	10.8942	9.1579	32.7435	HCA2	245	0	0	0	0.09	
-248	O1	SLES	1	11.2782	7.19384	32.2895	OC30A	245	249	0	0	-0.34	
-249	C1	SLES	1	11.0423	7.57964	30.8861	CTL2	248	250	251	252	-0.18	
-250	H11	SLES	1	10.4184	8.49167	30.8993	HAL2	249	0	0	0	0.09	
-251	H12	SLES	1	12.0671	7.85431	30.5613	HAL2	249	0	0	0	0.09	
-252	C2	SLES	1	10.425	6.52959	29.8798	CTL2	249	253	254	255	-0.18	
-253	H21	SLES	1	10.2052	5.58576	30.4273	HAL2	252	0	0	0	0.09	
-254	H22	SLES	1	11.1747	6.30115	29.0909	HAL2	252	0	0	0	0.09	
-255	C3	SLES	1	9.0768	7.06006	29.1875	CTL2	252	256	257	258	-0.18	
-256	H31	SLES	1	8.20476	6.55917	29.6639	HAL2	255	0	0	0	0.09	
-257	H32	SLES	1	8.98286	8.1496	29.3672	HAL2	255	0	0	0	0.09	
-258	C4	SLES	1	9.03443	6.79075	27.6261	CTL2	255	259	260	261	-0.18	
-259	H41	SLES	1	8.3818	5.91457	27.4299	HAL2	258	0	0	0	0.09	
-260	H42	SLES	1	10.0576	6.54189	27.2708	HAL2	258	0	0	0	0.09	
-261	C5	SLES	1	8.48975	8.04285	26.8013	CTL2	258	262	263	264	-0.18	
-262	H51	SLES	1	7.94775	8.72519	27.4927	HAL2	261	0	0	0	0.09	
-263	H52	SLES	1	9.35493	8.60196	26.3773	HAL2	261	0	0	0	0.09	
-264	C6	SLES	1	7.52165	7.63126	25.6288	CTL2	261	265	266	267	-0.18	
-265	H61	SLES	1	6.55224	7.29449	26.06	HAL2	264	0	0	0	0.09	
-266	H62	SLES	1	7.32217	8.52548	24.9931	HAL2	264	0	0	0	0.09	
-267	C7	SLES	1	8.10445	6.49173	24.7343	CTL2	264	268	269	270	-0.18	
-268	H71	SLES	1	7.92986	5.51314	25.2339	HAL2	267	0	0	0	0.09	
-269	H72	SLES	1	9.2034	6.63452	24.633	HAL2	267	0	0	0	0.09	
-270	C8	SLES	1	7.4678	6.45653	23.3226	CTL2	267	271	272	273	-0.18	
-271	H81	SLES	1	6.36118	6.54214	23.4199	HAL2	270	0	0	0	0.09	
-272	H82	SLES	1	7.83062	7.33236	22.7378	HAL2	270	0	0	0	0.09	
-273	C9	SLES	1	7.80906	5.15663	22.5518	CTL2	270	274	275	276	-0.18	
-274	H91	SLES	1	7.47248	4.28023	23.1509	HAL2	273	0	0	0	0.09	
-275	H92	SLES	1	8.91351	5.08599	22.4306	HAL2	273	0	0	0	0.09	
-276	C10	SLES	1	7.14353	5.09893	21.1564	CTL2	273	277	278	279	-0.18	
-277	H10	SLES	1	6.03738	5.14606	21.2788	HAL2	276	0	0	0	0.09	
-278	H10	SLES	1	7.46224	5.9867	20.5645	HAL2	276	0	0	0	0.09	
-279	C11	SLES	1	7.51224	3.80995	20.375	CTL2	276	280	281	282	-0.18	
-280	H11	SLES	1	7.18534	2.9252	20.9678	HAL2	279	0	0	0	0.09	
-281	H11	SLES	1	8.62012	3.75821	20.2708	HAL2	279	0	0	0	0.09	
-282	C12	SLES	1	6.87339	3.72995	18.9643	CTL3	279	283	284	285	-0.27	
-283	H12	SLES	1	6.23247	2.82462	18.8811	HAL3	282	0	0	0	0.09	
-284	H12	SLES	1	7.66453	3.67709	18.1842	HAL3	282	0	0	0	0.09	
-285	H12	SLES	1	6.2457	4.62729	18.7721	HAL3	282	0	0	0	0.09	
-286	NA	SLES	1	6.58362	13.9897	41.3887	NA	0	0	0	0	1	
-287	S	SLES	1	4.63411	16.3205	39.3596	SL	288	289	290	291	1.33	
-288	OS1	SLES	1	5.30465	14.8967	38.7846	OSL	287	292	0	0	-0.28	
-289	OS2	SLES	1	3.76212	15.9482	40.4544	O2L	287	0	0	0	-0.65	
-290	OS3	SLES	1	5.73849	17.1135	39.8577	O2L	287	0	0	0	-0.65	
-291	OS4	SLES	1	3.88819	17.0788	38.3681	O2L	287	0	0	0	-0.65	
-292	C2	SLES	1	4.81634	14.6165	37.405	CC32A	288	293	294	295	-0.11	
-293	H2A	SLES	1	3.69115	14.5957	37.3786	HCA2	292	0	0	0	0.09	
-294	H2B	SLES	1	5.18172	15.4342	36.7238	HCA2	292	0	0	0	0.09	
-295	C1	SLES	1	5.39437	13.2054	36.9147	CC32A	292	296	297	298	-0.01	
-296	H1B	SLES	1	5.10736	12.4066	37.6368	HCA2	295	0	0	0	0.09	
-297	H1A	SLES	1	6.5067	13.2515	36.8534	HCA2	295	0	0	0	0.09	
-298	O1	SLES	1	4.97902	12.6454	35.614	OC30A	295	299	0	0	-0.34	
-299	C2	SLES	1	4.39237	13.5679	34.6719	CC32A	298	300	301	302	-0.01	
-300	H2A	SLES	1	3.50067	13.92	35.2266	HCA2	299	0	0	0	0.09	
-301	H2B	SLES	1	5.14323	14.3892	34.6413	HCA2	299	0	0	0	0.09	
-302	C1	SLES	1	3.97997	13.1801	33.2169	CC32A	299	303	304	305	-0.01	
-303	H1B	SLES	1	2.92078	12.8425	33.2046	HCA2	302	0	0	0	0.09	
-304	H1A	SLES	1	4.07738	14.0677	32.5602	HCA2	302	0	0	0	0.09	
-305	O1	SLES	1	4.60279	12.086	32.47	OC30A	302	306	0	0	-0.34	
-306	C1	SLES	1	4.63035	12.2664	31.0069	CTL2	305	307	308	309	-0.18	
-307	H11	SLES	1	3.9876	13.1345	30.7734	HAL2	306	0	0	0	0.09	
-308	H12	SLES	1	5.68958	12.5539	30.8436	HAL2	306	0	0	0	0.09	
-309	C2	SLES	1	4.25193	11.0574	30.0629	CTL2	306	310	311	312	-0.18	
-310	H21	SLES	1	3.96002	10.1841	30.6882	HAL2	309	0	0	0	0.09	
-311	H22	SLES	1	5.14652	10.7692	29.4686	HAL2	309	0	0	0	0.09	
-312	C3	SLES	1	3.0469	11.4118	29.0625	CTL2	309	313	314	315	-0.18	
-313	H31	SLES	1	2.11531	10.9296	29.4339	HAL2	312	0	0	0	0.09	
-314	H32	SLES	1	2.88618	12.5083	29.0646	HAL2	312	0	0	0	0.09	
-315	C4	SLES	1	3.31517	10.9341	27.5752	CTL2	312	316	317	318	-0.18	
-316	H41	SLES	1	2.7403	10.0034	27.3872	HAL2	315	0	0	0	0.09	
-317	H42	SLES	1	4.39492	10.6995	27.4564	HAL2	315	0	0	0	0.09	
-318	C5	SLES	1	2.90129	12.0311	26.4935	CTL2	315	319	320	321	-0.18	
-319	H51	SLES	1	2.21503	12.7674	26.9673	HAL2	318	0	0	0	0.09	
-320	H52	SLES	1	3.81423	12.5775	26.1634	HAL2	318	0	0	0	0.09	
-321	C6	SLES	1	2.19105	11.4113	25.2315	CTL2	318	322	323	324	-0.18	
-322	H61	SLES	1	1.1676	11.0798	25.5174	HAL2	321	0	0	0	0.09	
-323	H62	SLES	1	2.09032	12.1994	24.4491	HAL2	321	0	0	0	0.09	
-324	C7	SLES	1	2.97075	10.1979	24.6331	CTL2	321	325	326	327	-0.18	
-325	H71	SLES	1	2.73352	9.28649	25.2253	HAL2	324	0	0	0	0.09	
-326	H72	SLES	1	4.06358	10.3891	24.7196	HAL2	324	0	0	0	0.09	
-327	C8	SLES	1	2.62004	9.93755	23.1469	CTL2	324	328	329	330	-0.18	
-328	H81	SLES	1	1.51334	9.97139	23.0225	HAL2	327	0	0	0	0.09	
-329	H82	SLES	1	3.06148	10.7468	22.5217	HAL2	327	0	0	0	0.09	
-330	C9	SLES	1	3.14397	8.56814	22.6463	CTL2	327	331	332	333	-0.18	
-331	H91	SLES	1	2.72549	7.76177	23.2905	HAL2	330	0	0	0	0.09	
-332	H92	SLES	1	4.2527	8.54579	22.7449	HAL2	330	0	0	0	0.09	
-333	C10	SLES	1	2.76248	8.28604	21.1738	CTL2	330	334	335	336	-0.18	
-334	H10	SLES	1	1.65259	8.28519	21.0795	HAL2	333	0	0	0	0.09	
-335	H10	SLES	1	3.16168	9.10358	20.5317	HAL2	333	0	0	0	0.09	
-336	C11	SLES	1	3.31504	6.92759	20.6666	CTL2	333	337	338	339	-0.18	
-337	H11	SLES	1	2.90752	6.11268	21.3077	HAL2	336	0	0	0	0.09	
-338	H11	SLES	1	4.42325	6.92641	20.7797	HAL2	336	0	0	0	0.09	
-339	C12	SLES	1	2.96335	6.62293	19.1874	CTL3	336	340	341	342	-0.27	
-340	H12	SLES	1	2.37905	5.67912	19.1155	HAL3	339	0	0	0	0.09	
-341	H12	SLES	1	3.89149	6.51196	18.5844	HAL3	339	0	0	0	0.09	
-342	H12	SLES	1	2.35696	7.44877	18.7557	HAL3	339	0	0	0	0.09	
-343	NA	SLES	1	-3.94623	14.0492	41.7029	NA	0	0	0	0	1	
-344	S	SLES	1	-5.46638	16.3017	39.2605	SL	345	346	347	348	1.33	
-345	OS1	SLES	1	-4.61701	14.9122	38.8665	OSL	344	349	0	0	-0.28	
-346	OS2	SLES	1	-6.55362	15.8853	40.1218	O2L	344	0	0	0	-0.65	
-347	OS3	SLES	1	-4.54617	17.1403	39.9997	O2L	344	0	0	0	-0.65	
-348	OS4	SLES	1	-5.99158	17.0314	38.1176	O2L	344	0	0	0	-0.65	
-349	C2	SLES	1	-4.75481	14.6179	37.4123	CC32A	345	350	351	352	-0.11	
-350	H2A	SLES	1	-5.84027	14.5473	37.1226	HCA2	349	0	0	0	0.09	
-351	H2B	SLES	1	-4.27639	15.4546	36.8316	HCA2	349	0	0	0	0.09	
-352	C1	SLES	1	-4.01572	13.2364	37.0789	CC32A	349	353	354	355	-0.01	
-353	H1B	SLES	1	-4.42848	12.4219	37.7176	HCA2	352	0	0	0	0.09	
-354	H1A	SLES	1	-2.92327	13.3322	37.2802	HCA2	352	0	0	0	0.09	
-355	O1	SLES	1	-4.08878	12.6655	35.72	OC30A	352	356	0	0	-0.34	
-356	C2	SLES	1	-4.47822	13.5659	34.6617	CC32A	355	357	358	359	-0.01	
-357	H2A	SLES	1	-5.48998	13.8751	34.9897	HCA2	356	0	0	0	0.09	
-358	H2B	SLES	1	-3.77842	14.42	34.8039	HCA2	356	0	0	0	0.09	
-359	C1	SLES	1	-4.51983	13.168	33.1526	CC32A	356	360	361	362	-0.01	
-360	H1B	SLES	1	-5.53044	12.7837	32.8937	HCA2	359	0	0	0	0.09	
-361	H1A	SLES	1	-4.31046	14.0625	32.5324	HCA2	359	0	0	0	0.09	
-362	O1	SLES	1	-3.6911	12.1066	32.5786	OC30A	359	363	0	0	-0.34	
-363	C1	SLES	1	-3.32882	12.2958	31.162	CTL2	362	364	365	366	-0.18	
-364	H11	SLES	1	-3.93666	13.1356	30.7794	HAL2	363	0	0	0	0.09	
-365	H12	SLES	1	-2.27469	12.6309	31.2504	HAL2	363	0	0	0	0.09	
-366	C2	SLES	1	-3.42092	11.0761	30.1619	CTL2	363	367	368	369	-0.18	
-367	H21	SLES	1	-3.81241	10.1875	30.7058	HAL2	366	0	0	0	0.09	
-368	H22	SLES	1	-2.3999	10.8311	29.7958	HAL2	366	0	0	0	0.09	
-369	C3	SLES	1	-4.3719	11.382	28.9047	CTL2	366	370	371	372	-0.18	
-370	H31	SLES	1	-5.34229	10.8569	29.0495	HAL2	369	0	0	0	0.09	
-371	H32	SLES	1	-4.57716	12.4702	28.8632	HAL2	369	0	0	0	0.09	
-372	C4	SLES	1	-3.74097	10.9245	27.5245	CTL2	369	373	374	375	-0.18	
-373	H41	SLES	1	-4.21371	9.97018	27.2117	HAL2	372	0	0	0	0.09	
-374	H42	SLES	1	-2.65419	10.7387	27.6638	HAL2	372	0	0	0	0.09	
-375	C5	SLES	1	-3.93762	12.0078	26.3701	CTL2	372	376	377	378	-0.18	
-376	H51	SLES	1	-4.74794	12.7103	26.6655	HAL2	375	0	0	0	0.09	
-377	H52	SLES	1	-2.9979	12.5959	26.2607	HAL2	375	0	0	0	0.09	
-378	C6	SLES	1	-4.30344	11.3637	24.9799	CTL2	375	379	380	381	-0.18	
-379	H61	SLES	1	-5.34965	10.9856	25.0192	HAL2	378	0	0	0	0.09	
-380	H62	SLES	1	-4.25257	12.1507	24.1916	HAL2	378	0	0	0	0.09	
-381	C7	SLES	1	-3.35193	10.1893	24.5876	CTL2	378	382	383	384	-0.18	
-382	H71	SLES	1	-3.68087	9.26514	25.1125	HAL2	381	0	0	0	0.09	
-383	H72	SLES	1	-2.31957	10.4284	24.9274	HAL2	381	0	0	0	0.09	
-384	C8	SLES	1	-3.33197	9.92151	23.0621	CTL2	381	385	386	387	-0.18	
-385	H81	SLES	1	-4.37891	9.90681	22.6811	HAL2	384	0	0	0	0.09	
-386	H82	SLES	1	-2.79246	10.7529	22.5537	HAL2	384	0	0	0	0.09	
-387	C9	SLES	1	-2.64487	8.57938	22.7058	CTL2	384	388	389	390	-0.18	
-388	H91	SLES	1	-3.16666	7.75183	23.238	HAL2	387	0	0	0	0.09	
-389	H92	SLES	1	-1.59042	8.60578	23.0621	HAL2	387	0	0	0	0.09	
-390	C10	SLES	1	-2.65704	8.28841	21.1864	CTL2	387	391	392	393	-0.18	
-391	H10	SLES	1	-3.71259	8.23877	20.8341	HAL2	390	0	0	0	0.09	
-392	H10	SLES	1	-2.15496	9.12627	20.6516	HAL2	390	0	0	0	0.09	
-393	C11	SLES	1	-1.94106	6.95855	20.8303	CTL2	390	394	395	396	-0.18	
-394	H11	SLES	1	-2.4511	6.12297	21.362	HAL2	393	0	0	0	0.09	
-395	H11	SLES	1	-0.891447	7.006	21.2004	HAL2	393	0	0	0	0.09	
-396	C12	SLES	1	-1.92172	6.6464	19.3115	CTL3	393	397	398	399	-0.27	
-397	H12	SLES	1	-2.4303	5.67796	19.1094	HAL3	396	0	0	0	0.09	
-398	H12	SLES	1	-0.873967	6.57996	18.9439	HAL3	396	0	0	0	0.09	
-399	H12	SLES	1	-2.44586	7.44676	18.7451	HAL3	396	0	0	0	0.09	
-400	NA	SLES	1	-12.4727	7.84273	41.6534	NA	0	0	0	0	1	
-401	S	SLES	1	-13.6372	10.3715	39.287	SL	402	403	404	405	1.33	
-402	OS1	SLES	1	-12.6504	9.07931	38.8822	OSL	401	406	0	0	-0.28	
-403	OS2	SLES	1	-14.8403	9.80313	39.8587	O2L	401	0	0	0	-0.65	
-404	OS3	SLES	1	-12.9213	11.1246	40.2954	O2L	401	0	0	0	-0.65	
-405	OS4	SLES	1	-13.9808	11.2397	38.1723	O2L	401	0	0	0	-0.65	
-406	C2	SLES	1	-12.4969	8.99073	37.4028	CC32A	402	407	408	409	-0.11	
-407	H2A	SLES	1	-13.5032	8.92833	36.9021	HCA2	406	0	0	0	0.09	
-408	H2B	SLES	1	-11.9675	9.91607	37.0426	HCA2	406	0	0	0	0.09	
-409	C1	SLES	1	-11.63	7.69444	37.0366	CC32A	406	410	411	412	-0.01	
-410	H1B	SLES	1	-12.1071	6.78487	37.4689	HCA2	409	0	0	0	0.09	
-411	H1A	SLES	1	-10.6018	7.79454	37.456	HCA2	409	0	0	0	0.09	
-412	O1	SLES	1	-11.4148	7.32067	35.6253	OC30A	409	413	0	0	-0.34	
-413	C2	SLES	1	-11.651	8.34999	34.6418	CC32A	412	414	415	416	-0.01	
-414	H2A	SLES	1	-12.7223	8.57773	34.8066	HCA2	413	0	0	0	0.09	
-415	H2B	SLES	1	-11.0405	9.19647	35.0294	HCA2	413	0	0	0	0.09	
-416	C1	SLES	1	-11.3869	8.1697	33.1137	CC32A	413	417	418	419	-0.01	
-417	H1B	SLES	1	-12.3074	7.79488	32.6156	HCA2	416	0	0	0	0.09	
-418	H1A	SLES	1	-11.1173	9.1494	32.6709	HCA2	416	0	0	0	0.09	
-419	O1	SLES	1	-10.4056	7.22708	32.5738	OC30A	416	420	0	0	-0.34	
-420	C1	SLES	1	-9.79656	7.6271	31.292	CTL2	419	421	422	423	-0.18	
-421	H11	SLES	1	-10.3697	8.49353	30.9152	HAL2	420	0	0	0	0.09	
-422	H12	SLES	1	-8.79864	7.97883	31.6263	HAL2	420	0	0	0	0.09	
-423	C2	SLES	1	-9.62963	6.55989	30.139	CTL2	420	424	425	426	-0.18	
-424	H21	SLES	1	-10.0639	5.59114	30.4733	HAL2	423	0	0	0	0.09	
-425	H22	SLES	1	-8.54577	6.4013	29.9475	HAL2	423	0	0	0	0.09	
-426	C3	SLES	1	-10.345	7.01175	28.7743	CTL2	423	427	428	429	-0.18	
-427	H31	SLES	1	-11.2934	6.44151	28.6575	HAL2	426	0	0	0	0.09	
-428	H32	SLES	1	-10.6014	8.08795	28.8398	HAL2	426	0	0	0	0.09	
-429	C4	SLES	1	-9.44198	6.77523	27.4933	CTL2	426	430	431	432	-0.18	
-430	H41	SLES	1	-9.79206	5.86084	26.9704	HAL2	429	0	0	0	0.09	
-431	H42	SLES	1	-8.39148	6.60537	27.8137	HAL2	429	0	0	0	0.09	
-432	C5	SLES	1	-9.48166	8.00506	26.4781	CTL2	429	433	434	435	-0.18	
-433	H51	SLES	1	-10.3721	8.63283	26.7028	HAL2	432	0	0	0	0.09	
-434	H52	SLES	1	-8.57359	8.63172	26.6318	HAL2	432	0	0	0	0.09	
-435	C6	SLES	1	-9.54349	7.55423	24.97	CTL2	432	436	437	438	-0.18	
-436	H61	SLES	1	-10.555	7.142	24.7557	HAL2	435	0	0	0	0.09	
-437	H62	SLES	1	-9.39174	8.44663	24.3188	HAL2	435	0	0	0	0.09	
-438	C7	SLES	1	-8.46929	6.47783	24.6154	CTL2	435	439	440	441	-0.18	
-439	H71	SLES	1	-8.8366	5.47859	24.9385	HAL2	438	0	0	0	0.09	
-440	H72	SLES	1	-7.53414	6.69811	25.1769	HAL2	438	0	0	0	0.09	
-441	C8	SLES	1	-8.14921	6.43057	23.1005	CTL2	438	442	443	444	-0.18	
-442	H81	SLES	1	-9.10393	6.43765	22.5262	HAL2	441	0	0	0	0.09	
-443	H82	SLES	1	-7.57313	7.34217	22.8217	HAL2	441	0	0	0	0.09	
-444	C9	SLES	1	-7.33135	5.17483	22.7074	CTL2	441	445	446	447	-0.18	
-445	H91	SLES	1	-7.89474	4.26414	23.0133	HAL2	444	0	0	0	0.09	
-446	H92	SLES	1	-6.36535	5.18307	23.2608	HAL2	444	0	0	0	0.09	
-447	C10	SLES	1	-7.0426	5.10278	21.1892	CTL2	444	448	449	450	-0.18	
-448	H10	SLES	1	-8.00908	5.07095	20.6364	HAL2	447	0	0	0	0.09	
-449	H10	SLES	1	-6.49866	6.02341	20.8784	HAL2	447	0	0	0	0.09	
-450	C11	SLES	1	-6.19716	3.86005	20.8035	CTL2	447	451	452	453	-0.18	
-451	H11	SLES	1	-6.74848	2.94184	21.1102	HAL2	450	0	0	0	0.09	
-452	H11	SLES	1	-5.2397	3.88699	21.3722	HAL2	450	0	0	0	0.09	
-453	C12	SLES	1	-5.87641	3.76793	19.2892	CTL3	450	454	455	456	-0.27	
-454	H12	SLES	1	-6.28152	2.82275	18.8651	HAL3	453	0	0	0	0.09	
-455	H12	SLES	1	-4.77636	3.78711	19.1252	HAL3	453	0	0	0	0.09	
-456	H12	SLES	1	-6.33079	4.62405	18.7444	HAL3	453	0	0	0	0.09	
-457	NA	SLES	1	-15.6523	-2.18434	41.2591	NA	0	0	0	0	1	
-458	S	SLES	1	-16.7858	0.768073	39.4292	SL	459	460	461	462	1.33	
-459	OS1	SLES	1	-15.7073	-0.363386	38.8258	OSL	458	463	0	0	-0.28	
-460	OS2	SLES	1	-17.9932	0.0424865	39.7655	O2L	458	0	0	0	-0.65	
-461	OS3	SLES	1	-16.1803	1.30044	40.6318	O2L	458	0	0	0	-0.65	
-462	OS4	SLES	1	-17.0986	1.85171	38.5114	O2L	458	0	0	0	-0.65	
-463	C2	SLES	1	-15.4498	-0.111291	37.38	CC32A	459	464	465	466	-0.11	
-464	H2A	SLES	1	-16.4153	-0.0958529	36.8014	HCA2	463	0	0	0	0.09	
-465	H2B	SLES	1	-14.9467	0.889903	37.2761	HCA2	463	0	0	0	0.09	
-466	C1	SLES	1	-14.4931	-1.25975	36.804	CC32A	463	467	468	469	-0.01	
-467	H1B	SLES	1	-14.9498	-2.2599	36.9855	HCA2	466	0	0	0	0.09	
-468	H1A	SLES	1	-13.5023	-1.2194	37.3137	HCA2	466	0	0	0	0.09	
-469	O1	SLES	1	-14.1638	-1.29844	35.366	OC30A	466	470	0	0	-0.34	
-470	C2	SLES	1	-14.3868	-0.0835074	34.6198	CC32A	469	471	472	473	-0.01	
-471	H2A	SLES	1	-15.4774	0.0623772	34.7474	HCA2	470	0	0	0	0.09	
-472	H2B	SLES	1	-13.8494	0.675615	35.2316	HCA2	470	0	0	0	0.09	
-473	C1	SLES	1	-14.011	0.0942148	33.115	CC32A	470	474	475	476	-0.01	
-474	H1B	SLES	1	-14.8748	-0.192016	32.4763	HCA2	473	0	0	0	0.09	
-475	H1A	SLES	1	-13.7641	1.15752	32.9226	HCA2	473	0	0	0	0.09	
-476	O1	SLES	1	-12.9473	-0.666656	32.4574	OC30A	473	477	0	0	-0.34	
-477	C1	SLES	1	-12.275	0.0332149	31.3474	CTL2	476	478	479	480	-0.18	
-478	H11	SLES	1	-12.8661	0.940877	31.1287	HAL2	477	0	0	0	0.09	
-479	H12	SLES	1	-11.3218	0.336632	31.8277	HAL2	477	0	0	0	0.09	
-480	C2	SLES	1	-11.9746	-0.740536	30.003	CTL2	477	481	482	483	-0.18	
-481	H21	SLES	1	-12.3789	-1.77472	30.0795	HAL2	480	0	0	0	0.09	
-482	H22	SLES	1	-10.8735	-0.812638	29.8658	HAL2	480	0	0	0	0.09	
-483	C3	SLES	1	-12.619	-0.0194775	28.7211	CTL2	480	484	485	486	-0.18	
-484	H31	SLES	1	-13.526	-0.582784	28.4076	HAL2	483	0	0	0	0.09	
-485	H32	SLES	1	-12.9355	1.00439	29.0035	HAL2	483	0	0	0	0.09	
-486	C4	SLES	1	-11.6204	0.0710401	27.4936	CTL2	483	487	488	489	-0.18	
-487	H41	SLES	1	-11.8857	-0.714336	26.7555	HAL2	486	0	0	0	0.09	
-488	H42	SLES	1	-10.5864	-0.128388	27.8489	HAL2	486	0	0	0	0.09	
-489	C5	SLES	1	-11.6561	1.49546	26.7763	CTL2	486	490	491	492	-0.18	
-490	H51	SLES	1	-12.5915	2.02394	27.0648	HAL2	489	0	0	0	0.09	
-491	H52	SLES	1	-10.7947	2.10392	27.1351	HAL2	489	0	0	0	0.09	
-492	C6	SLES	1	-11.5921	1.39347	25.2057	CTL2	489	493	494	495	-0.18	
-493	H61	SLES	1	-12.5638	1.00367	24.8275	HAL2	492	0	0	0	0.09	
-494	H62	SLES	1	-11.4439	2.41437	24.7823	HAL2	492	0	0	0	0.09	
-495	C7	SLES	1	-10.4413	0.464015	24.7058	CTL2	492	496	497	498	-0.18	
-496	H71	SLES	1	-10.7764	-0.594905	24.7698	HAL2	495	0	0	0	0.09	
-497	H72	SLES	1	-9.55906	0.586053	25.373	HAL2	495	0	0	0	0.09	
-498	C8	SLES	1	-10.0176	0.770338	23.2476	CTL2	495	499	500	501	-0.18	
-499	H81	SLES	1	-10.9304	0.871867	22.6168	HAL2	498	0	0	0	0.09	
-500	H82	SLES	1	-9.47278	1.74153	23.2234	HAL2	498	0	0	0	0.09	
-501	C9	SLES	1	-9.11009	-0.334343	22.6506	CTL2	498	502	503	504	-0.18	
-502	H91	SLES	1	-9.64413	-1.31029	22.7023	HAL2	501	0	0	0	0.09	
-503	H92	SLES	1	-8.18544	-0.415843	23.2653	HAL2	501	0	0	0	0.09	
-504	C10	SLES	1	-8.7161	-0.0525604	21.1813	CTL2	501	505	506	507	-0.18	
-505	H10	SLES	1	-9.64002	0.00582877	20.5618	HAL2	504	0	0	0	0.09	
-506	H10	SLES	1	-8.20163	0.933459	21.1255	HAL2	504	0	0	0	0.09	
-507	C11	SLES	1	-7.7823	-1.14523	20.5965	CTL2	504	508	509	510	-0.18	
-508	H11	SLES	1	-8.30397	-2.12824	20.6483	HAL2	507	0	0	0	0.09	
-509	H11	SLES	1	-6.86818	-1.21228	21.2296	HAL2	507	0	0	0	0.09	
-510	C12	SLES	1	-7.35562	-0.88269	19.129	CTL3	507	511	512	513	-0.27	
-511	H12	SLES	1	-7.68086	-1.72229	18.4758	HAL3	510	0	0	0	0.09	
-512	H12	SLES	1	-6.24955	-0.787318	19.0592	HAL3	510	0	0	0	0.09	
-513	H12	SLES	1	-7.81661	0.0569904	18.754	HAL3	510	0	0	0	0.09	
-514	NA	SLES	1	-12.3146	-12.0965	40.6707	NA	0	0	0	0	1	
-515	S	SLES	1	-13.6928	-8.87577	39.6326	SL	516	517	518	519	1.33	
-516	OS1	SLES	1	-12.6241	-9.78697	38.7188	OSL	515	520	0	0	-0.28	
-517	OS2	SLES	1	-14.8434	-9.72039	39.8778	O2L	515	0	0	0	-0.65	
-518	OS3	SLES	1	-13.0154	-8.59212	40.8805	O2L	515	0	0	0	-0.65	
-519	OS4	SLES	1	-14.1149	-7.63366	39.0053	O2L	515	0	0	0	-0.65	
-520	C2	SLES	1	-12.4888	-9.20745	37.3527	CC32A	516	521	522	523	-0.11	
-521	H2A	SLES	1	-13.4962	-9.115	36.859	HCA2	520	0	0	0	0.09	
-522	H2B	SLES	1	-12.0319	-8.18307	37.4429	HCA2	520	0	0	0	0.09	
-523	C1	SLES	1	-11.5388	-10.1477	36.4699	CC32A	520	524	525	526	-0.01	
-524	H1B	SLES	1	-11.9435	-11.1858	36.4522	HCA2	523	0	0	0	0.09	
-525	H1A	SLES	1	-10.5135	-10.1692	36.9075	HCA2	523	0	0	0	0.09	
-526	O1	SLES	1	-11.3208	-9.84926	35.0412	OC30A	523	527	0	0	-0.34	
-527	C2	SLES	1	-11.6449	-8.51262	34.6042	CC32A	526	528	529	530	-0.01	
-528	H2A	SLES	1	-12.7268	-8.45626	34.8347	HCA2	527	0	0	0	0.09	
-529	H2B	SLES	1	-11.0895	-7.88077	35.3333	HCA2	527	0	0	0	0.09	
-530	C1	SLES	1	-11.3937	-7.98622	33.1561	CC32A	527	531	532	533	-0.01	
-531	H1B	SLES	1	-12.2935	-8.16881	32.5292	HCA2	530	0	0	0	0.09	
-532	H1A	SLES	1	-11.2011	-6.89524	33.1916	HCA2	530	0	0	0	0.09	
-533	O1	SLES	1	-10.3574	-8.52533	32.2739	OC30A	530	534	0	0	-0.34	
-534	C1	SLES	1	-9.79896	-7.56242	31.307	CTL2	533	535	536	537	-0.18	
-535	H11	SLES	1	-10.4378	-6.66126	31.3384	HAL2	534	0	0	0	0.09	
-536	H12	SLES	1	-8.82301	-7.32327	31.7777	HAL2	534	0	0	0	0.09	
-537	C2	SLES	1	-9.57602	-8.00201	29.8059	CTL2	534	538	539	540	-0.18	
-538	H21	SLES	1	-9.93541	-9.04723	29.6749	HAL2	537	0	0	0	0.09	
-539	H22	SLES	1	-8.48694	-7.98383	29.5819	HAL2	537	0	0	0	0.09	
-540	C3	SLES	1	-10.3436	-7.04968	28.7655	CTL2	537	541	542	543	-0.18	
-541	H31	SLES	1	-11.2512	-7.57643	28.3953	HAL2	540	0	0	0	0.09	
-542	H32	SLES	1	-10.6741	-6.132	29.2917	HAL2	540	0	0	0	0.09	
-543	C4	SLES	1	-9.44712	-6.63688	27.5253	CTL2	540	544	545	546	-0.18	
-544	H41	SLES	1	-9.74034	-7.25194	26.649	HAL2	543	0	0	0	0.09	
-545	H42	SLES	1	-8.38218	-6.85539	27.7559	HAL2	543	0	0	0	0.09	
-546	C5	SLES	1	-9.58993	-5.0928	27.1509	CTL2	543	547	548	549	-0.18	
-547	H51	SLES	1	-10.5186	-4.69141	27.6133	HAL2	546	0	0	0	0.09	
-548	H52	SLES	1	-8.7259	-4.53454	27.5783	HAL2	546	0	0	0	0.09	
-549	C6	SLES	1	-9.64437	-4.84059	25.5969	CTL2	546	550	551	552	-0.18	
-550	H61	SLES	1	-10.6277	-5.18746	25.2072	HAL2	549	0	0	0	0.09	
-551	H62	SLES	1	-9.56653	-3.74488	25.405	HAL2	549	0	0	0	0.09	
-552	C7	SLES	1	-8.50288	-5.5742	24.8242	CTL2	549	553	554	555	-0.18	
-553	H71	SLES	1	-8.79353	-6.63711	24.6709	HAL2	552	0	0	0	0.09	
-554	H72	SLES	1	-7.57657	-5.55683	25.4406	HAL2	552	0	0	0	0.09	
-555	C8	SLES	1	-8.20498	-4.93041	23.4471	CTL2	552	556	557	558	-0.18	
-556	H81	SLES	1	-9.16704	-4.73978	22.9184	HAL2	555	0	0	0	0.09	
-557	H82	SLES	1	-7.69921	-3.95071	23.6052	HAL2	555	0	0	0	0.09	
-558	C9	SLES	1	-7.30715	-5.82593	22.557	CTL2	555	559	560	561	-0.18	
-559	H91	SLES	1	-7.79988	-6.81579	22.4238	HAL2	558	0	0	0	0.09	
-560	H92	SLES	1	-6.33525	-5.99288	23.0738	HAL2	558	0	0	0	0.09	
-561	C10	SLES	1	-7.0388	-5.20513	21.1656	CTL2	558	562	563	564	-0.18	
-562	H10	SLES	1	-8.00951	-5.0596	20.639	HAL2	561	0	0	0	0.09	
-563	H10	SLES	1	-6.56624	-4.20559	21.2984	HAL2	561	0	0	0	0.09	
-564	C11	SLES	1	-6.11425	-6.09028	20.2883	CTL2	561	565	566	567	-0.18	
-565	H11	SLES	1	-6.59441	-7.08637	20.1527	HAL2	564	0	0	0	0.09	
-566	H11	SLES	1	-5.15194	-6.24778	20.8269	HAL2	564	0	0	0	0.09	
-567	C12	SLES	1	-5.8125	-5.48689	18.8921	CTL3	564	568	569	570	-0.27	
-568	H12	SLES	1	-6.15684	-6.17674	18.0903	HAL3	567	0	0	0	0.09	
-569	H12	SLES	1	-4.71936	-5.32034	18.771	HAL3	567	0	0	0	0.09	
-570	H12	SLES	1	-6.33491	-4.51306	18.7701	HAL3	567	0	0	0	0.09	
-571	NA	SLES	1	-3.8485	-18.1171	40.1129	NA	0	0	0	0	1	
-572	S	SLES	1	-5.50075	-14.8714	39.8195	SL	573	574	575	576	1.33	
-573	OS1	SLES	1	-4.60075	-15.589	38.602	OSL	572	577	0	0	-0.28	
-574	OS2	SLES	1	-6.55552	-15.8062	40.1528	O2L	572	0	0	0	-0.65	
-575	OS3	SLES	1	-4.60435	-14.7185	40.9464	O2L	572	0	0	0	-0.65	
-576	OS4	SLES	1	-6.07443	-13.583	39.4655	O2L	572	0	0	0	-0.65	
-577	C2	SLES	1	-4.74983	-14.8251	37.3313	CC32A	573	578	579	580	-0.11	
-578	H2A	SLES	1	-5.83598	-14.7258	37.0528	HCA2	577	0	0	0	0.09	
-579	H2B	SLES	1	-4.31621	-13.7974	37.4794	HCA2	577	0	0	0	0.09	
-580	C1	SLES	1	-3.95936	-15.5825	36.1619	CC32A	577	581	582	583	-0.01	
-581	H1B	SLES	1	-4.32737	-16.6305	36.0726	HCA2	580	0	0	0	0.09	
-582	H1A	SLES	1	-2.86871	-15.6031	36.3926	HCA2	580	0	0	0	0.09	
-583	O1	SLES	1	-4.03068	-15.0836	34.7749	OC30A	580	584	0	0	-0.34	
-584	C2	SLES	1	-4.47448	-13.7215	34.6009	CC32A	583	585	586	587	-0.01	
-585	H2A	SLES	1	-5.49277	-13.759	35.0351	HCA2	584	0	0	0	0.09	
-586	H2B	SLES	1	-3.80865	-13.1618	35.2957	HCA2	584	0	0	0	0.09	
-587	C1	SLES	1	-4.52404	-12.9925	33.2212	CC32A	584	588	589	590	-0.01	
-588	H1B	SLES	1	-5.52185	-13.1413	32.754	HCA2	587	0	0	0	0.09	
-589	H1A	SLES	1	-4.36225	-11.9068	33.375	HCA2	587	0	0	0	0.09	
-590	O1	SLES	1	-3.66127	-13.3481	32.0934	OC30A	587	591	0	0	-0.34	
-591	C1	SLES	1	-3.33031	-12.2339	31.1861	CTL2	590	592	593	594	-0.18	
-592	H11	SLES	1	-3.97876	-11.3835	31.4643	HAL2	591	0	0	0	0.09	
-593	H12	SLES	1	-2.28975	-12.0039	31.4954	HAL2	591	0	0	0	0.09	
-594	C2	SLES	1	-3.38779	-12.4552	29.6228	CTL2	591	595	596	597	-0.18	
-595	H21	SLES	1	-3.733	-13.4925	29.414	HAL2	594	0	0	0	0.09	
-596	H22	SLES	1	-2.36354	-12.3444	29.2042	HAL2	594	0	0	0	0.09	
-597	C3	SLES	1	-4.37103	-11.4182	28.8905	CTL2	594	598	599	600	-0.18	
-598	H31	SLES	1	-5.31621	-11.9422	28.6253	HAL2	597	0	0	0	0.09	
-599	H32	SLES	1	-4.6221	-10.5998	29.5943	HAL2	597	0	0	0	0.09	
-600	C4	SLES	1	-3.74415	-10.7922	27.5762	CTL2	597	601	602	603	-0.18	
-601	H41	SLES	1	-4.18175	-11.3005	26.6917	HAL2	600	0	0	0	0.09	
-602	H42	SLES	1	-2.64845	-10.9778	27.5703	HAL2	600	0	0	0	0.09	
-603	C5	SLES	1	-4.00453	-9.22279	27.4586	CTL2	600	604	605	606	-0.18	
-604	H51	SLES	1	-4.83849	-8.94113	28.1388	HAL2	603	0	0	0	0.09	
-605	H52	SLES	1	-3.09203	-8.67778	27.7921	HAL2	603	0	0	0	0.09	
-606	C6	SLES	1	-4.36578	-8.7686	25.9942	CTL2	603	607	608	609	-0.18	
-607	H61	SLES	1	-5.39455	-9.11643	25.7498	HAL2	606	0	0	0	0.09	
-608	H62	SLES	1	-4.36059	-7.65443	25.949	HAL2	606	0	0	0	0.09	
-609	C7	SLES	1	-3.37269	-9.32518	24.9254	CTL2	606	610	611	612	-0.18	
-610	H71	SLES	1	-3.65425	-10.373	24.6795	HAL2	609	0	0	0	0.09	
-611	H72	SLES	1	-2.34579	-9.33696	25.354	HAL2	609	0	0	0	0.09	
-612	C8	SLES	1	-3.36643	-8.48691	23.6228	CTL2	609	613	614	615	-0.18	
-613	H81	SLES	1	-4.41792	-8.28314	23.3158	HAL2	612	0	0	0	0.09	
-614	H82	SLES	1	-2.87038	-7.50961	23.8214	HAL2	612	0	0	0	0.09	
-615	C9	SLES	1	-2.62991	-9.20203	22.4624	CTL2	612	616	617	618	-0.18	
-616	H91	SLES	1	-3.10804	-10.192	22.2842	HAL2	615	0	0	0	0.09	
-617	H92	SLES	1	-1.57181	-9.38021	22.7594	HAL2	615	0	0	0	0.09	
-618	C10	SLES	1	-2.65468	-8.3863	21.1481	CTL2	615	619	620	621	-0.18	
-619	H10	SLES	1	-3.71285	-8.22792	20.8383	HAL2	618	0	0	0	0.09	
-620	H10	SLES	1	-2.19672	-7.38789	21.3311	HAL2	618	0	0	0	0.09	
-621	C11	SLES	1	-1.88982	-9.09132	19.9967	CTL2	618	622	623	624	-0.18	
-622	H11	SLES	1	-2.35587	-10.0864	19.8129	HAL2	621	0	0	0	0.09	
-623	H11	SLES	1	-0.837207	-9.26362	20.318	HAL2	621	0	0	0	0.09	
-624	C12	SLES	1	-1.88223	-8.29023	18.669	CTL3	621	625	626	627	-0.27	
-625	H12	SLES	1	-2.35324	-8.88538	17.8558	HAL3	624	0	0	0	0.09	
-626	H12	SLES	1	-0.838741	-8.04618	18.3708	HAL3	624	0	0	0	0.09	
-627	H12	SLES	1	-2.44841	-7.34063	18.7866	HAL3	624	0	0	0	0.09	
-628	NA	SLES	1	6.48589	-18.0576	39.7987	NA	0	0	0	0	1	
-629	S	SLES	1	4.66847	-14.8901	39.9187	SL	630	631	632	633	1.33	
-630	OS1	SLES	1	5.28839	-15.5735	38.5201	OSL	629	634	0	0	-0.28	
-631	OS2	SLES	1	3.76402	-15.8691	40.4853	O2L	629	0	0	0	-0.65	
-632	OS3	SLES	1	5.79668	-14.6917	40.8043	O2L	629	0	0	0	-0.65	
-633	OS4	SLES	1	3.97104	-13.6304	39.716	O2L	629	0	0	0	-0.65	
-634	C2	SLES	1	4.81136	-14.8238	37.324	CC32A	630	635	636	637	-0.11	
-635	H2A	SLES	1	3.68687	-14.7742	37.3088	HCA2	634	0	0	0	0.09	
-636	H2B	SLES	1	5.22154	-13.777	37.3715	HCA2	634	0	0	0	0.09	
-637	C1	SLES	1	5.33801	-15.5514	35.9977	CC32A	634	638	639	640	-0.01	
-638	H1B	SLES	1	5.00625	-16.6152	35.9918	HCA2	637	0	0	0	0.09	
-639	H1A	SLES	1	6.45214	-15.5223	35.9657	HCA2	637	0	0	0	0.09	
-640	O1	SLES	1	4.92093	-15.0635	34.6688	OC30A	637	641	0	0	-0.34	
-641	C2	SLES	1	4.38863	-13.7234	34.6111	CC32A	640	642	643	644	-0.01	
-642	H2A	SLES	1	3.50346	-13.8038	35.2721	HCA2	641	0	0	0	0.09	
-643	H2B	SLES	1	5.17346	-13.131	35.1331	HCA2	641	0	0	0	0.09	
-644	C1	SLES	1	3.98419	-13.0047	33.2855	CC32A	641	645	646	647	-0.01	
-645	H1B	SLES	1	2.91219	-13.2001	33.0648	HCA2	644	0	0	0	0.09	
-646	H1A	SLES	1	4.12917	-11.9121	33.4027	HCA2	644	0	0	0	0.09	
-647	O1	SLES	1	4.57296	-13.3276	31.9848	OC30A	644	648	0	0	-0.34	
-648	C1	SLES	1	4.63183	-12.2046	31.0311	CTL2	647	649	650	651	-0.18	
-649	H11	SLES	1	4.0297	-11.3823	31.4583	HAL2	648	0	0	0	0.09	
-650	H12	SLES	1	5.70464	-11.927	31.0886	HAL2	648	0	0	0	0.09	
-651	C2	SLES	1	4.21879	-12.4365	29.5238	CTL2	648	652	653	654	-0.18	
-652	H21	SLES	1	3.88061	-13.4892	29.3964	HAL2	651	0	0	0	0.09	
-653	H22	SLES	1	5.11016	-12.2825	28.877	HAL2	651	0	0	0	0.09	
-654	C3	SLES	1	3.04603	-11.4481	29.0483	CTL2	651	655	656	657	-0.18	
-655	H31	SLES	1	2.08924	-12.015	29.0097	HAL2	654	0	0	0	0.09	
-656	H32	SLES	1	2.93112	-10.6379	29.7957	HAL2	654	0	0	0	0.09	
-657	C4	SLES	1	3.31835	-10.8018	27.6269	CTL2	654	658	659	660	-0.18	
-658	H41	SLES	1	2.70834	-11.3337	26.8672	HAL2	657	0	0	0	0.09	
-659	H42	SLES	1	4.38918	-10.9386	27.363	HAL2	657	0	0	0	0.09	
-660	C5	SLES	1	2.9682	-9.24615	27.5821	CTL2	657	661	662	663	-0.18	
-661	H51	SLES	1	2.30558	-8.9982	28.4405	HAL2	660	0	0	0	0.09	
-662	H52	SLES	1	3.90837	-8.65939	27.6949	HAL2	660	0	0	0	0.09	
-663	C6	SLES	1	2.2534	-8.81621	26.2458	CTL2	660	664	665	666	-0.18	
-664	H61	SLES	1	1.2125	-9.21067	26.248	HAL2	663	0	0	0	0.09	
-665	H62	SLES	1	2.19834	-7.70315	26.2066	HAL2	663	0	0	0	0.09	
-666	C7	SLES	1	2.99151	-9.33377	24.9708	CTL2	663	667	668	669	-0.18	
-667	H71	SLES	1	2.7069	-10.3944	24.7923	HAL2	666	0	0	0	0.09	
-668	H72	SLES	1	4.0898	-9.29766	25.1462	HAL2	666	0	0	0	0.09	
-669	C8	SLES	1	2.6545	-8.50295	23.7076	CTL2	666	670	671	672	-0.18	
-670	H81	SLES	1	1.55234	-8.34771	23.6571	HAL2	669	0	0	0	0.09	
-671	H82	SLES	1	3.1394	-7.50355	23.7893	HAL2	669	0	0	0	0.09	
-672	C9	SLES	1	3.12901	-9.19078	22.403	CTL2	669	673	674	675	-0.18	
-673	H91	SLES	1	2.66686	-10.2019	22.3368	HAL2	672	0	0	0	0.09	
-674	H92	SLES	1	4.23409	-9.32021	22.4422	HAL2	672	0	0	0	0.09	
-675	C10	SLES	1	2.76013	-8.38392	21.1356	CTL2	672	676	677	678	-0.18	
-676	H10	SLES	1	1.65285	-8.27434	21.0837	HAL2	675	0	0	0	0.09	
-677	H10	SLES	1	3.20345	-7.3652	21.2112	HAL2	675	0	0	0	0.09	
-678	C11	SLES	1	3.2638	-9.06035	19.833	CTL2	675	679	680	681	-0.18	
-679	H11	SLES	1	2.8123	-10.0761	19.7585	HAL2	678	0	0	0	0.09	
-680	H11	SLES	1	4.36901	-9.18403	19.8973	HAL2	678	0	0	0	0.09	
-681	C12	SLES	1	2.92386	-8.26676	18.5449	CTL3	678	682	683	684	-0.27	
-682	H12	SLES	1	2.30199	-8.88654	17.8619	HAL3	681	0	0	0	0.09	
-683	H12	SLES	1	3.85626	-7.97818	18.0113	HAL3	681	0	0	0	0.09	
-684	H12	SLES	1	2.35951	-7.34263	18.7971	HAL3	681	0	0	0	0.09	
-685	NA	SLES	1	14.8389	-12.0004	39.8482	NA	0	0	0	0	1	
-686	S	SLES	1	12.8962	-8.90612	39.8921	SL	687	688	689	690	1.33	
-687	OS1	SLES	1	13.2823	-9.76189	38.5043	OSL	686	691	0	0	-0.28	
-688	OS2	SLES	1	12.1716	-9.82218	40.7484	O2L	686	0	0	0	-0.65	
-689	OS3	SLES	1	14.1566	-8.54865	40.5086	O2L	686	0	0	0	-0.65	
-690	OS4	SLES	1	12.1017	-7.71035	39.6613	O2L	686	0	0	0	-0.65	
-691	C2	SLES	1	12.5477	-9.20521	37.3335	CC32A	687	692	693	694	-0.11	
-692	H2A	SLES	1	11.4392	-9.19336	37.5292	HCA2	691	0	0	0	0.09	
-693	H2B	SLES	1	12.8984	-8.15006	37.1606	HCA2	691	0	0	0	0.09	
-694	C1	SLES	1	12.8584	-10.0974	36.04	CC32A	691	695	696	697	-0.01	
-695	H1B	SLES	1	12.5933	-11.161	36.2405	HCA2	694	0	0	0	0.09	
-696	H1A	SLES	1	13.9433	-10.0385	35.7899	HCA2	694	0	0	0	0.09	
-697	O1	SLES	1	12.1729	-9.8168	34.7635	OC30A	694	698	0	0	-0.34	
-698	C2	SLES	1	11.5627	-8.51575	34.631	CC32A	697	699	700	701	-0.01	
-699	H2A	SLES	1	10.8228	-8.52879	35.4551	HCA2	698	0	0	0	0.09	
-700	H2B	SLES	1	12.3958	-7.83101	34.9077	HCA2	698	0	0	0	0.09	
-701	C1	SLES	1	10.877	-8.00591	33.3244	CC32A	698	702	703	704	-0.01	
-702	H1B	SLES	1	9.7957	-8.26397	33.343	HCA2	701	0	0	0	0.09	
-703	H1A	SLES	1	10.978	-6.90373	33.2643	HCA2	701	0	0	0	0.09	
-704	O1	SLES	1	11.23	-8.49208	31.9896	OC30A	701	705	0	0	-0.34	
-705	C1	SLES	1	11.0447	-7.51496	30.9011	CTL2	704	706	707	708	-0.18	
-706	H11	SLES	1	10.4865	-6.6594	31.3225	HAL2	705	0	0	0	0.09	
-707	H12	SLES	1	12.0915	-7.19876	30.7127	HAL2	705	0	0	0	0.09	
-708	C2	SLES	1	10.3714	-7.97171	29.5467	CTL2	705	709	710	711	-0.18	
-709	H21	SLES	1	10.0767	-9.04185	29.6289	HAL2	708	0	0	0	0.09	
-710	H22	SLES	1	11.1158	-7.88368	28.7253	HAL2	708	0	0	0	0.09	
-711	C3	SLES	1	9.07539	-7.09799	29.1787	CTL2	708	712	713	714	-0.18	
-712	H31	SLES	1	8.16257	-7.69409	29.4017	HAL2	711	0	0	0	0.09	
-713	H32	SLES	1	9.05557	-6.19365	29.819	HAL2	711	0	0	0	0.09	
-714	C4	SLES	1	9.03957	-6.65241	27.6581	CTL2	711	715	716	717	-0.18	
-715	H41	SLES	1	8.33009	-7.30567	27.1085	HAL2	714	0	0	0	0.09	
-716	H42	SLES	1	10.0483	-6.79192	27.2131	HAL2	714	0	0	0	0.09	
-717	C5	SLES	1	8.59801	-5.13059	27.474	CTL2	714	718	719	720	-0.18	
-718	H51	SLES	1	8.09427	-4.78376	28.4032	HAL2	717	0	0	0	0.09	
-719	H52	SLES	1	9.50725	-4.50477	27.3238	HAL2	717	0	0	0	0.09	
-720	C6	SLES	1	7.62253	-4.91761	26.2557	CTL2	717	721	722	723	-0.18	
-721	H61	SLES	1	6.6249	-5.33995	26.5115	HAL2	720	0	0	0	0.09	
-722	H62	SLES	1	7.49696	-3.82372	26.0793	HAL2	720	0	0	0	0.09	
-723	C7	SLES	1	8.13804	-5.5881	24.943	CTL2	720	724	725	726	-0.18	
-724	H71	SLES	1	7.88679	-6.67166	24.9663	HAL2	723	0	0	0	0.09	
-725	H72	SLES	1	9.24582	-5.49324	24.8967	HAL2	723	0	0	0	0.09	
-726	C8	SLES	1	7.52357	-4.95637	23.6691	CTL2	723	727	728	729	-0.18	
-727	H81	SLES	1	6.4243	-4.84426	23.8121	HAL2	726	0	0	0	0.09	
-728	H82	SLES	1	7.95669	-3.9409	23.5213	HAL2	726	0	0	0	0.09	
-729	C9	SLES	1	7.78485	-5.80773	22.4013	CTL2	726	730	731	732	-0.18	
-730	H91	SLES	1	7.37762	-6.83188	22.5614	HAL2	729	0	0	0	0.09	
-731	H92	SLES	1	8.88341	-5.89581	22.2435	HAL2	729	0	0	0	0.09	
-732	C10	SLES	1	7.13973	-5.20129	21.1327	CTL2	729	733	734	735	-0.18	
-733	H10	SLES	1	6.03781	-5.13471	21.2814	HAL2	732	0	0	0	0.09	
-734	H10	SLES	1	7.52981	-4.16888	20.9844	HAL2	732	0	0	0	0.09	
-735	C11	SLES	1	7.42933	-6.04018	19.8598	CTL2	732	736	737	738	-0.18	
-736	H11	SLES	1	7.03126	-7.06973	20.0104	HAL2	735	0	0	0	0.09	
-737	H11	SLES	1	8.53236	-6.119	19.7254	HAL2	735	0	0	0	0.09	
-738	C12	SLES	1	6.80948	-5.4489	18.5672	CTL3	735	739	740	741	-0.27	
-739	H12	SLES	1	6.10778	-6.17861	18.1062	HAL3	738	0	0	0	0.09	
-740	H12	SLES	1	7.60754	-5.21031	17.83	HAL3	738	0	0	0	0.09	
-741	H12	SLES	1	6.24982	-4.5163	18.7978	HAL3	738	0	0	0	0.09	
-742	NA	SLES	1	27.9053	-2.18434	34.1849	NA	0	0	0	0	1	
-743	S	SLES	1	25.7537	0.768073	34.2515	SL	744	745	746	747	1.33	
-744	OS1	SLES	1	25.7705	-0.363386	33.0158	OSL	743	748	0	0	-0.28	
-745	OS2	SLES	1	25.4413	0.0424865	35.4654	O2L	743	0	0	0	-0.65	
-746	OS3	SLES	1	27.0981	1.30044	34.3284	O2L	743	0	0	0	-0.65	
-747	OS4	SLES	1	24.8025	1.85171	34.0635	O2L	743	0	0	0	-0.65	
-748	C2	SLES	1	24.6471	-0.111291	32.0699	CC32A	744	749	750	751	-0.11	
-749	H2A	SLES	1	23.6634	-0.0958529	32.6168	HCA2	748	0	0	0	0.09	
-750	H2B	SLES	1	24.8087	0.889903	31.5823	HCA2	748	0	0	0	0.09	
-751	C1	SLES	1	24.6267	-1.25975	30.9534	CC32A	748	752	753	754	-0.01	
-752	H1B	SLES	1	24.5555	-2.2599	31.4397	HCA2	751	0	0	0	0.09	
-753	H1A	SLES	1	25.5634	-1.2194	30.3502	HCA2	751	0	0	0	0.09	
-754	O1	SLES	1	23.546	-1.29844	29.9492	OC30A	751	755	0	0	-0.34	
-755	C2	SLES	1	22.7882	-0.0835074	29.7693	CC32A	754	756	757	758	-0.01	
-756	H2A	SLES	1	22.3535	0.0623772	30.7775	HCA2	755	0	0	0	0.09	
-757	H2B	SLES	1	23.5868	0.675615	29.6097	HCA2	755	0	0	0	0.09	
-758	C1	SLES	1	21.6729	0.0942148	28.6914	CC32A	755	759	760	761	-0.01	
-759	H1B	SLES	1	20.6879	-0.192016	29.1201	HCA2	758	0	0	0	0.09	
-760	H1A	SLES	1	21.6298	1.15752	28.3814	HCA2	758	0	0	0	0.09	
-761	O1	SLES	1	21.6353	-0.666656	27.4414	OC30A	758	762	0	0	-0.34	
-762	C1	SLES	1	21.0101	0.0332149	26.3041	CTL2	761	763	764	765	-0.18	
-763	H11	SLES	1	20.5251	0.940877	26.7067	HAL2	762	0	0	0	0.09	
-764	H12	SLES	1	21.9027	0.336632	25.7188	HAL2	762	0	0	0	0.09	
-765	C2	SLES	1	19.9961	-0.740536	25.3718	CTL2	762	766	767	768	-0.18	
-766	H21	SLES	1	19.8602	-1.77472	25.7602	HAL2	765	0	0	0	0.09	
-767	H22	SLES	1	20.4278	-0.812638	24.3496	HAL2	765	0	0	0	0.09	
-768	C3	SLES	1	18.5637	-0.0194775	25.2889	CTL2	765	769	770	771	-0.18	
-769	H31	SLES	1	17.8387	-0.582784	25.9177	HAL2	768	0	0	0	0.09	
-770	H32	SLES	1	18.65	1.00439	25.7042	HAL2	768	0	0	0	0.09	
-771	C4	SLES	1	18	0.0710401	23.8103	CTL2	768	772	773	774	-0.18	
-772	H41	SLES	1	17.228	-0.714336	23.6711	HAL2	771	0	0	0	0.09	
-773	H42	SLES	1	18.8246	-0.128388	23.0925	HAL2	771	0	0	0	0.09	
-774	C5	SLES	1	17.3609	1.49546	23.4826	CTL2	771	775	776	777	-0.18	
-775	H51	SLES	1	17.1431	2.02394	24.4369	HAL2	774	0	0	0	0.09	
-776	H52	SLES	1	18.1024	2.10392	22.9161	HAL2	774	0	0	0	0.09	
-777	C6	SLES	1	16.0327	1.39347	22.6419	CTL2	774	778	779	780	-0.18	
-778	H61	SLES	1	15.2194	1.00367	23.2943	HAL2	777	0	0	0	0.09	
-779	H62	SLES	1	15.7401	2.41437	22.3019	HAL2	777	0	0	0	0.09	
-780	C7	SLES	1	16.1752	0.464015	21.3953	CTL2	777	781	782	783	-0.18	
-781	H71	SLES	1	16.0631	-0.594905	21.7176	HAL2	780	0	0	0	0.09	
-782	H72	SLES	1	17.1941	0.586053	20.9649	HAL2	780	0	0	0	0.09	
-783	C8	SLES	1	15.1242	0.770338	20.2993	CTL2	780	784	785	786	-0.18	
-784	H81	SLES	1	14.1215	0.871867	20.7744	HAL2	783	0	0	0	0.09	
-785	H82	SLES	1	15.3756	1.74153	19.8154	HAL2	783	0	0	0	0.09	
-786	C9	SLES	1	15.0609	-0.334343	19.2149	CTL2	783	787	788	789	-0.18	
-787	H91	SLES	1	14.8387	-1.31029	19.7032	HAL2	786	0	0	0	0.09	
-788	H92	SLES	1	16.0556	-0.415843	18.7214	HAL2	786	0	0	0	0.09	
-789	C10	SLES	1	13.9855	-0.0525604	18.139	CTL2	786	790	791	792	-0.18	
-790	H10	SLES	1	12.9871	0.00582877	18.6294	HAL2	789	0	0	0	0.09	
-791	H10	SLES	1	14.1944	0.933459	17.6655	HAL2	789	0	0	0	0.09	
-792	C11	SLES	1	13.9459	-1.14523	17.0379	CTL2	789	793	794	795	-0.18	
-793	H11	SLES	1	13.7299	-2.12824	17.5156	HAL2	792	0	0	0	0.09	
-794	H11	SLES	1	14.9513	-1.21228	16.5628	HAL2	792	0	0	0	0.09	
-795	C12	SLES	1	12.8883	-0.88269	15.9346	CTL3	792	796	797	798	-0.27	
-796	H12	SLES	1	12.1601	-1.72229	15.8897	HAL3	795	0	0	0	0.09	
-797	H12	SLES	1	13.381	-0.787318	14.9419	HAL3	795	0	0	0	0.09	
-798	H12	SLES	1	12.3331	0.0569904	16.1464	HAL3	795	0	0	0	0.09	
-799	NA	SLES	1	25.797	8.70981	34.7956	NA	0	0	0	0	1	
-800	S	SLES	1	23.4252	11.3843	34.0393	SL	801	802	803	804	1.33	
-801	OS1	SLES	1	23.606	9.99249	33.124	OSL	800	805	0	0	-0.28	
-802	OS2	SLES	1	23.0941	10.9506	35.3809	O2L	800	0	0	0	-0.65	
-803	OS3	SLES	1	24.7172	12.0379	34.038	O2L	800	0	0	0	-0.65	
-804	OS4	SLES	1	22.4072	12.2997	33.5493	O2L	800	0	0	0	-0.65	
-805	C2	SLES	1	22.528	9.90503	32.0991	CC32A	801	806	807	808	-0.11	
-806	H2A	SLES	1	21.5137	9.96457	32.5835	HCA2	805	0	0	0	0.09	
-807	H2B	SLES	1	22.6424	10.7679	31.3859	HCA2	805	0	0	0	0.09	
-808	C1	SLES	1	22.6657	8.52249	31.3019	CC32A	805	809	810	811	-0.01	
-809	H1B	SLES	1	22.6412	7.6684	32.0172	HCA2	808	0	0	0	0.09	
-810	H1A	SLES	1	23.6325	8.49889	30.7471	HCA2	808	0	0	0	0.09	
-811	O1	SLES	1	21.6561	8.14384	30.2943	OC30A	808	812	0	0	-0.34	
-812	C2	SLES	1	20.8201	9.20544	29.7877	CC32A	811	813	814	815	-0.01	
-813	H2A	SLES	1	20.3132	9.55247	30.7093	HCA2	812	0	0	0	0.09	
-814	H2B	SLES	1	21.5664	9.97152	29.4786	HCA2	812	0	0	0	0.09	
-815	C1	SLES	1	19.764	9.01479	28.6537	CC32A	812	816	817	818	-0.01	
-816	H1B	SLES	1	18.779	8.75413	29.0985	HCA2	815	0	0	0	0.09	
-817	H1A	SLES	1	19.6589	9.96249	28.0886	HCA2	815	0	0	0	0.09	
-818	O1	SLES	1	19.8632	7.97258	27.6306	OC30A	815	819	0	0	-0.34	
-819	C1	SLES	1	19.2585	8.31581	26.3304	CTL2	818	820	821	822	-0.18	
-820	H11	SLES	1	18.681	9.24679	26.4751	HAL2	819	0	0	0	0.09	
-821	H12	SLES	1	20.16	8.54668	25.726	HAL2	819	0	0	0	0.09	
-822	C2	SLES	1	18.3672	7.25072	25.5772	CTL2	819	823	824	825	-0.18	
-823	H21	SLES	1	18.2871	6.33412	26.2035	HAL2	822	0	0	0	0.09	
-824	H22	SLES	1	18.8663	6.97126	24.6236	HAL2	822	0	0	0	0.09	
-825	C3	SLES	1	16.8917	7.79832	25.2586	CTL2	822	826	827	828	-0.18	
-826	H31	SLES	1	16.1742	7.34206	25.9765	HAL2	825	0	0	0	0.09	
-827	H32	SLES	1	16.873	8.89593	25.4107	HAL2	825	0	0	0	0.09	
-828	C4	SLES	1	16.4163	7.47554	23.7815	CTL2	825	829	830	831	-0.18	
-829	H41	SLES	1	15.7172	6.61381	23.8089	HAL2	828	0	0	0	0.09	
-830	H42	SLES	1	17.2971	7.18244	23.1705	HAL2	828	0	0	0	0.09	
-831	C5	SLES	1	15.6915	8.71417	23.0849	CTL2	828	832	833	834	-0.18	
-832	H51	SLES	1	15.3745	9.43709	23.8687	HAL2	831	0	0	0	0.09	
-833	H52	SLES	1	16.418	9.23065	22.4168	HAL2	831	0	0	0	0.09	
-834	C6	SLES	1	14.4303	8.29193	22.2409	CTL2	831	835	836	837	-0.18	
-835	H61	SLES	1	13.6101	8.00106	22.935	HAL2	834	0	0	0	0.09	
-836	H62	SLES	1	14.082	9.16896	21.6468	HAL2	834	0	0	0	0.09	
-837	C7	SLES	1	14.7214	7.10388	21.2703	CTL2	834	838	839	840	-0.18	
-838	H71	SLES	1	14.671	6.14947	21.8398	HAL2	837	0	0	0	0.09	
-839	H72	SLES	1	15.7529	7.2086	20.866	HAL2	837	0	0	0	0.09	
-840	C8	SLES	1	13.7207	7.03882	20.0897	CTL2	837	841	842	843	-0.18	
-841	H81	SLES	1	12.6854	7.16236	20.4826	HAL2	840	0	0	0	0.09	
-842	H82	SLES	1	13.9266	7.8817	19.3913	HAL2	840	0	0	0	0.09	
-843	C9	SLES	1	13.8104	5.7025	19.3109	CTL2	840	844	845	846	-0.18	
-844	H91	SLES	1	13.6336	4.85873	20.016	HAL2	843	0	0	0	0.09	
-845	H92	SLES	1	14.8373	5.59314	18.895	HAL2	843	0	0	0	0.09	
-846	C10	SLES	1	12.7859	5.61643	18.1548	CTL2	843	847	848	849	-0.18	
-847	H10	SLES	1	11.7572	5.70241	18.5734	HAL2	846	0	0	0	0.09	
-848	H10	SLES	1	12.9476	6.47237	17.4611	HAL2	846	0	0	0	0.09	
-849	C11	SLES	1	12.8993	4.28979	17.3579	CTL2	846	850	851	852	-0.18	
-850	H11	SLES	1	12.73	3.43716	18.0546	HAL2	849	0	0	0	0.09	
-851	H11	SLES	1	13.9346	4.1998	16.9566	HAL2	849	0	0	0	0.09	
-852	C12	SLES	1	11.8958	4.18008	16.1808	CTL3	849	853	854	855	-0.27	
-853	H12	SLES	1	11.2384	3.29284	16.3148	HAL3	852	0	0	0	0.09	
-854	H12	SLES	1	12.4408	4.07501	15.2168	HAL3	852	0	0	0	0.09	
-855	H12	SLES	1	11.2579	5.08926	16.1299	HAL3	852	0	0	0	0.09	
-856	NA	SLES	1	19.397	17.883	35.4406	NA	0	0	0	0	1	
-857	S	SLES	1	16.9958	20.1094	33.8196	SL	858	859	860	861	1.33	
-858	OS1	SLES	1	17.4116	18.5895	33.25	OSL	857	862	0	0	-0.28	
-859	OS2	SLES	1	16.4897	19.9176	35.163	O2L	857	0	0	0	-0.65	
-860	OS3	SLES	1	18.2247	20.8741	33.8611	O2L	857	0	0	0	-0.65	
-861	OS4	SLES	1	16.0069	20.8057	33.0124	O2L	857	0	0	0	-0.65	
-862	C2	SLES	1	16.5153	18.1964	32.1265	CC32A	858	863	864	865	-0.11	
-863	H2A	SLES	1	15.4361	18.2498	32.4421	HCA2	862	0	0	0	0.09	
-864	H2B	SLES	1	16.6805	18.9091	31.2715	HCA2	862	0	0	0	0.09	
-865	C1	SLES	1	16.8694	16.7044	31.6632	CC32A	862	866	867	868	-0.01	
-866	H1B	SLES	1	16.7918	16.0096	32.5309	HCA2	865	0	0	0	0.09	
-867	H1A	SLES	1	17.9103	16.6675	31.2653	HCA2	865	0	0	0	0.09	
-868	O1	SLES	1	16.0576	16.0374	30.6269	OC30A	865	869	0	0	-0.34	
-869	C2	SLES	1	15.2406	16.8909	29.7983	CC32A	868	870	871	872	-0.01	
-870	H2A	SLES	1	14.5736	17.3608	30.5475	HCA2	869	0	0	0	0.09	
-871	H2B	SLES	1	15.9721	17.651	29.4425	HCA2	869	0	0	0	0.09	
-872	C1	SLES	1	14.3899	16.3779	28.594	CC32A	869	873	874	875	-0.01	
-873	H1B	SLES	1	13.3676	16.114	28.9422	HCA2	872	0	0	0	0.09	
-874	H1A	SLES	1	14.31	17.1808	27.8341	HCA2	872	0	0	0	0.09	
-875	O1	SLES	1	14.7183	15.1697	27.8355	OC30A	872	876	0	0	-0.34	
-876	C1	SLES	1	14.302	15.1892	26.4211	CTL2	875	877	878	879	-0.18	
-877	H11	SLES	1	13.647	16.0689	26.2863	HAL2	876	0	0	0	0.09	
-878	H12	SLES	1	15.2689	15.3843	25.913	HAL2	876	0	0	0	0.09	
-879	C2	SLES	1	13.6137	13.9142	25.7912	CTL2	876	880	881	882	-0.18	
-880	H21	SLES	1	13.4994	13.1354	26.578	HAL2	879	0	0	0	0.09	
-881	H22	SLES	1	14.2734	13.5032	24.9959	HAL2	879	0	0	0	0.09	
-882	C3	SLES	1	12.1722	14.2403	25.1633	CTL2	879	883	884	885	-0.18	
-883	H31	SLES	1	11.3842	13.8657	25.854	HAL2	882	0	0	0	0.09	
-884	H32	SLES	1	12.0553	15.3391	25.0783	HAL2	882	0	0	0	0.09	
-885	C4	SLES	1	11.9563	13.588	23.735	CTL2	882	886	887	888	-0.18	
-886	H41	SLES	1	11.3217	12.6839	23.8447	HAL2	885	0	0	0	0.09	
-887	H42	SLES	1	12.9395	13.2687	23.3272	HAL2	885	0	0	0	0.09	
-888	C5	SLES	1	11.2665	14.5879	22.7009	CTL2	885	889	890	891	-0.18	
-889	H51	SLES	1	10.7825	15.416	23.2643	HAL2	888	0	0	0	0.09	
-890	H52	SLES	1	12.0515	15.0318	22.0471	HAL2	888	0	0	0	0.09	
-891	C6	SLES	1	10.1841	13.8857	21.7972	CTL2	888	892	893	894	-0.18	
-892	H61	SLES	1	9.28734	13.6576	22.416	HAL2	891	0	0	0	0.09	
-893	H62	SLES	1	9.87395	14.59	20.9903	HAL2	891	0	0	0	0.09	
-894	C7	SLES	1	10.7033	12.5645	21.1467	CTL2	891	895	896	897	-0.18	
-895	H71	SLES	1	10.6297	11.7405	21.8906	HAL2	894	0	0	0	0.09	
-896	H72	SLES	1	11.7757	12.6887	20.8767	HAL2	894	0	0	0	0.09	
-897	C8	SLES	1	9.90588	12.1702	19.8786	CTL2	894	898	899	900	-0.18	
-898	H81	SLES	1	8.816	12.266	20.0893	HAL2	897	0	0	0	0.09	
-899	H82	SLES	1	10.1604	12.8753	19.0548	HAL2	897	0	0	0	0.09	
-900	C9	SLES	1	10.2068	10.7222	19.4167	CTL2	897	901	902	903	-0.18	
-901	H91	SLES	1	9.98001	10.0204	20.2512	HAL2	900	0	0	0	0.09	
-902	H92	SLES	1	11.291	10.6349	19.1797	HAL2	900	0	0	0	0.09	
-903	C10	SLES	1	9.38353	10.3099	18.1735	CTL2	900	904	905	906	-0.18	
-904	H10	SLES	1	8.29868	10.3748	18.4178	HAL2	903	0	0	0	0.09	
-905	H10	SLES	1	9.59293	11.0244	17.3454	HAL2	903	0	0	0	0.09	
-906	C11	SLES	1	9.70994	8.87018	17.6954	CTL2	903	907	908	909	-0.18	
-907	H11	SLES	1	9.49239	8.15882	18.5247	HAL2	906	0	0	0	0.09	
-908	H11	SLES	1	10.7989	8.80547	17.4695	HAL2	906	0	0	0	0.09	
-909	C12	SLES	1	8.91228	8.43274	16.4396	CTL3	906	910	911	912	-0.27	
-910	H12	SLES	1	8.30393	7.52882	16.6637	HAL3	909	0	0	0	0.09	
-911	H12	SLES	1	9.60691	8.19432	15.6042	HAL3	909	0	0	0	0.09	
-912	H12	SLES	1	8.22974	9.24677	16.1116	HAL3	909	0	0	0	0.09	
-913	NA	SLES	1	9.73235	23.6805	36.0083	NA	0	0	0	0	1	
-914	S	SLES	1	7.60355	25.4595	33.6305	SL	915	916	917	918	1.33	
-915	OS1	SLES	1	8.24018	23.9314	33.3719	OSL	914	919	0	0	-0.28	
-916	OS2	SLES	1	6.82569	25.3769	34.8494	O2L	914	0	0	0	-0.65	
-917	OS3	SLES	1	8.73624	26.3396	33.8281	O2L	914	0	0	0	-0.65	
-918	OS4	SLES	1	6.77318	25.9579	32.5458	O2L	914	0	0	0	-0.65	
-919	C2	SLES	1	7.64592	23.3251	32.1473	CC32A	915	920	921	922	-0.11	
-920	H2A	SLES	1	6.5225	23.3097	32.2169	HCA2	919	0	0	0	0.09	
-921	H2B	SLES	1	7.94745	23.9463	31.2588	HCA2	919	0	0	0	0.09	
-922	C1	SLES	1	8.197	21.831	31.9749	CC32A	919	923	924	925	-0.01	
-923	H1B	SLES	1	7.97667	21.2374	32.8919	HCA2	922	0	0	0	0.09	
-924	H1A	SLES	1	9.30034	21.8494	31.8153	HCA2	922	0	0	0	0.09	
-925	O1	SLES	1	7.68457	20.9723	30.8895	OC30A	922	926	0	0	-0.34	
-926	C2	SLES	1	7.01524	21.6403	29.7994	CC32A	925	927	928	929	-0.01	
-927	H2A	SLES	1	6.16729	22.127	30.3199	HCA2	926	0	0	0	0.09	
-928	H2B	SLES	1	7.75299	22.4213	29.5077	HCA2	926	0	0	0	0.09	
-929	C1	SLES	1	6.49171	20.9105	28.5225	CC32A	926	930	931	932	-0.01	
-930	H1B	SLES	1	5.43836	20.5908	28.6784	HCA2	929	0	0	0	0.09	
-931	H1A	SLES	1	6.52738	21.608	27.6618	HCA2	929	0	0	0	0.09	
-932	O1	SLES	1	7.06371	19.66	28.0205	OC30A	929	933	0	0	-0.34	
-933	C1	SLES	1	6.97236	19.4744	26.5607	CTL2	932	934	935	936	-0.18	
-934	H11	SLES	1	6.30434	20.2647	26.1728	HAL2	933	0	0	0	0.09	
-935	H12	SLES	1	8.0122	19.7022	26.2474	HAL2	933	0	0	0	0.09	
-936	C2	SLES	1	6.53178	18.074	25.9767	CTL2	933	937	938	939	-0.18	
-937	H21	SLES	1	6.29958	17.3846	26.819	HAL2	936	0	0	0	0.09	
-938	H22	SLES	1	7.37881	17.6394	25.402	HAL2	936	0	0	0	0.09	
-939	C3	SLES	1	5.24711	18.1834	25.0195	CTL2	936	940	941	942	-0.18	
-940	H31	SLES	1	4.35309	17.8168	25.5715	HAL2	939	0	0	0	0.09	
-941	H32	SLES	1	5.0761	19.2482	24.7645	HAL2	939	0	0	0	0.09	
-942	C4	SLES	1	5.40034	17.3516	23.679	CTL2	939	943	944	945	-0.18	
-943	H41	SLES	1	4.82162	16.409	23.7725	HAL2	942	0	0	0	0.09	
-944	H42	SLES	1	6.46942	17.0841	23.5357	HAL2	942	0	0	0	0.09	
-945	C5	SLES	1	4.8903	18.1527	22.3972	CTL2	942	946	947	948	-0.18	
-946	H51	SLES	1	4.2368	18.9897	22.7285	HAL2	945	0	0	0	0.09	
-947	H52	SLES	1	5.76841	18.5918	21.8709	HAL2	945	0	0	0	0.09	
-948	C6	SLES	1	4.08765	17.2484	21.3876	CTL2	945	949	950	951	-0.18	
-949	H61	SLES	1	3.09371	17.0078	21.8272	HAL2	948	0	0	0	0.09	
-950	H62	SLES	1	3.91678	17.8207	20.4459	HAL2	948	0	0	0	0.09	
-951	C7	SLES	1	4.8291	15.9173	21.0459	CTL2	948	952	953	954	-0.18	
-952	H71	SLES	1	4.64914	15.1822	21.8613	HAL2	951	0	0	0	0.09	
-953	H72	SLES	1	5.92339	16.113	20.9951	HAL2	951	0	0	0	0.09	
-954	C8	SLES	1	4.36327	15.3027	19.7025	CTL2	951	955	956	957	-0.18	
-955	H81	SLES	1	3.24988	15.3159	19.6625	HAL2	954	0	0	0	0.09	
-956	H82	SLES	1	4.74517	15.9287	18.8641	HAL2	954	0	0	0	0.09	
-957	C9	SLES	1	4.85918	13.847	19.5142	CTL2	954	958	959	960	-0.18	
-958	H91	SLES	1	4.50165	13.2283	20.3684	HAL2	957	0	0	0	0.09	
-959	H92	SLES	1	5.97241	13.8385	19.5262	HAL2	957	0	0	0	0.09	
-960	C10	SLES	1	4.36399	13.215	18.1918	CTL2	957	961	962	963	-0.18	
-961	H10	SLES	1	3.25016	13.202	18.1896	HAL2	960	0	0	0	0.09	
-962	H10	SLES	1	4.70235	13.8453	17.3384	HAL2	960	0	0	0	0.09	
-963	C11	SLES	1	4.88778	11.768	17.992	CTL2	960	964	965	966	-0.18	
-964	H11	SLES	1	4.54102	11.1401	18.8444	HAL2	963	0	0	0	0.09	
-965	H11	SLES	1	6.00145	11.7836	18.0129	HAL2	963	0	0	0	0.09	
-966	C12	SLES	1	4.42198	11.1121	16.6664	CTL3	963	967	968	969	-0.27	
-967	H12	SLES	1	3.84329	10.1856	16.876	HAL3	966	0	0	0	0.09	
-968	H12	SLES	1	5.29998	10.8469	16.037	HAL3	966	0	0	0	0.09	
-969	H12	SLES	1	3.77476	11.8123	16.0945	HAL3	966	0	0	0	0.09	
-970	NA	SLES	1	-1.52832	24.995	36.4005	NA	0	0	0	0	1	
-971	S	SLES	1	-3.1285	26.5455	33.5047	SL	972	973	974	975	1.33	
-972	OS1	SLES	1	-2.32728	25.0744	33.4687	OSL	971	976	0	0	-0.28	
-973	OS2	SLES	1	-4.17782	26.4149	34.4943	O2L	971	0	0	0	-0.65	
-974	OS3	SLES	1	-2.15561	27.5234	33.9449	O2L	971	0	0	0	-0.65	
-975	OS4	SLES	1	-3.69765	26.953	32.2301	O2L	971	0	0	0	-0.65	
-976	C2	SLES	1	-2.54523	24.3998	32.1581	CC32A	972	977	978	979	-0.11	
-977	H2A	SLES	1	-3.6453	24.2882	31.947	HCA2	976	0	0	0	0.09	
-978	H2B	SLES	1	-2.08133	25.0308	31.3501	HCA2	976	0	0	0	0.09	
-979	C1	SLES	1	-1.85086	22.9565	32.183	CC32A	976	980	981	982	-0.01	
-980	H1B	SLES	1	-2.24579	22.3606	33.0378	HCA2	979	0	0	0	0.09	
-981	H1A	SLES	1	-0.747873	23.068	32.302	HCA2	979	0	0	0	0.09	
-982	O1	SLES	1	-2.00457	22.0398	31.0368	OC30A	979	983	0	0	-0.34	
-983	C2	SLES	1	-2.43054	22.6302	29.7907	CC32A	982	984	985	986	-0.01	
-984	H2A	SLES	1	-3.418	23.0497	30.066	HCA2	983	0	0	0	0.09	
-985	H2B	SLES	1	-1.70812	23.4675	29.6629	HCA2	983	0	0	0	0.09	
-986	C1	SLES	1	-2.55726	21.8379	28.4515	CC32A	983	987	988	989	-0.01	
-987	H1B	SLES	1	-3.58701	21.4306	28.3526	HCA2	986	0	0	0	0.09	
-988	H1A	SLES	1	-2.36293	22.5224	27.6016	HCA2	986	0	0	0	0.09	
-989	O1	SLES	1	-1.7796	20.634	28.1538	OC30A	986	990	0	0	-0.34	
-990	C1	SLES	1	-1.48703	20.4183	26.7248	CTL2	989	991	992	993	-0.18	
-991	H11	SLES	1	-2.09752	21.1416	26.1544	HAL2	990	0	0	0	0.09	
-992	H12	SLES	1	-0.42353	20.7304	26.6715	HAL2	990	0	0	0	0.09	
-993	C2	SLES	1	-1.65376	18.9761	26.1016	CTL2	990	994	995	996	-0.18	
-994	H21	SLES	1	-2.03374	18.2824	26.8846	HAL2	993	0	0	0	0.09	
-995	H22	SLES	1	-0.657781	18.6076	25.7718	HAL2	993	0	0	0	0.09	
-996	C3	SLES	1	-2.66204	18.9587	24.852	CTL2	993	997	998	999	-0.18	
-997	H31	SLES	1	-3.63359	18.5248	25.1777	HAL2	996	0	0	0	0.09	
-998	H32	SLES	1	-2.84827	20.0007	24.5235	HAL2	996	0	0	0	0.09	
-999	C4	SLES	1	-2.11174	18.1225	23.6231	CTL2	996	1000	1001	1002	-0.18	
-1000	H41	SLES	1	-2.61813	17.1349	23.6046	HAL2	999	0	0	0	0.09	
-1001	H42	SLES	1	-1.023	17.9464	23.7598	HAL2	999	0	0	0	0.09	
-1002	C5	SLES	1	-2.34665	18.8563	22.2263	CTL2	999	1003	1004	1005	-0.18	
-1003	H51	SLES	1	-3.1271	19.6386	22.3538	HAL2	1002	0	0	0	0.09	
-1004	H52	SLES	1	-1.40269	19.3615	21.9188	HAL2	1002	0	0	0	0.09	
-1005	C6	SLES	1	-2.79569	17.8701	21.0829	CTL2	1002	1006	1007	1008	-0.18	
-1006	H61	SLES	1	-3.84555	17.5512	21.2704	HAL2	1005	0	0	0	0.09	
-1007	H62	SLES	1	-2.77032	18.4107	20.1079	HAL2	1005	0	0	0	0.09	
-1008	C7	SLES	1	-1.88827	16.6031	20.9853	CTL2	1005	1009	1010	1011	-0.18	
-1009	H71	SLES	1	-2.20746	15.868	21.7569	HAL2	1008	0	0	0	0.09	
-1010	H72	SLES	1	-0.835432	16.892	21.2007	HAL2	1008	0	0	0	0.09	
-1011	C8	SLES	1	-1.95186	15.9295	19.5918	CTL2	1008	1012	1013	1014	-0.18	
-1012	H81	SLES	1	-3.01708	15.8456	19.2761	HAL2	1011	0	0	0	0.09	
-1013	H82	SLES	1	-1.42335	16.573	18.8521	HAL2	1011	0	0	0	0.09	
-1014	C9	SLES	1	-1.30982	14.5195	19.5863	CTL2	1011	1015	1016	1017	-0.18	
-1015	H91	SLES	1	-1.81935	13.8855	20.3471	HAL2	1014	0	0	0	0.09	
-1016	H92	SLES	1	-0.238147	14.6076	19.8748	HAL2	1014	0	0	0	0.09	
-1017	C10	SLES	1	-1.40562	13.8263	18.2065	CTL2	1014	1018	1019	1020	-0.18	
-1018	H10	SLES	1	-2.47863	13.7169	17.9283	HAL2	1017	0	0	0	0.09	
-1019	H10	SLES	1	-0.915711	14.4701	17.4413	HAL2	1017	0	0	0	0.09	
-1020	C11	SLES	1	-0.734502	12.4272	18.1966	CTL2	1017	1021	1022	1023	-0.18	
-1021	H11	SLES	1	-1.23246	11.785	18.9586	HAL2	1020	0	0	0	0.09	
-1022	H11	SLES	1	0.333459	12.5395	18.4928	HAL2	1020	0	0	0	0.09	
-1023	C12	SLES	1	-0.799211	11.7128	16.8218	CTL3	1020	1024	1025	1026	-0.27	
-1024	H12	SLES	1	-1.33597	10.743	16.9151	HAL3	1023	0	0	0	0.09	
-1025	H12	SLES	1	0.226804	11.5148	16.4404	HAL3	1023	0	0	0	0.09	
-1026	H12	SLES	1	-1.33632	12.3453	16.0818	HAL3	1023	0	0	0	0.09	
-1027	NA	SLES	1	-12.3615	21.5271	36.5494	NA	0	0	0	0	1	
-1028	S	SLES	1	-13.372	23.2029	33.4638	SL	1029	1030	1031	1032	1.33	
-1029	OS1	SLES	1	-12.4519	21.8039	33.5237	OSL	1028	1033	0	0	-0.28	
-1030	OS2	SLES	1	-14.6079	22.9089	34.1591	O2L	1028	0	0	0	-0.65	
-1031	OS3	SLES	1	-12.625	24.2077	34.1912	O2L	1028	0	0	0	-0.65	
-1032	OS4	SLES	1	-13.6605	23.6774	32.1199	O2L	1028	0	0	0	-0.65	
-1033	C2	SLES	1	-12.2919	21.2325	32.1568	CC32A	1029	1034	1035	1036	-0.11	
-1034	H2A	SLES	1	-13.2961	21.0589	31.6789	HCA2	1033	0	0	0	0.09	
-1035	H2B	SLES	1	-11.7114	21.9644	31.5295	HCA2	1033	0	0	0	0.09	
-1036	C1	SLES	1	-11.4921	19.8478	32.2517	CC32A	1033	1037	1038	1039	-0.01	
-1037	H1B	SLES	1	-12.0201	19.1517	32.9433	HCA2	1036	0	0	0	0.09	
-1038	H1A	SLES	1	-10.4633	20.0296	32.6411	HCA2	1036	0	0	0	0.09	
-1039	O1	SLES	1	-11.2861	19.0263	31.0432	OC30A	1036	1040	0	0	-0.34	
-1040	C2	SLES	1	-11.4598	19.6905	29.7738	CC32A	1039	1041	1042	1043	-0.01	
-1041	H2A	SLES	1	-12.5188	20.0101	29.8297	HCA2	1040	0	0	0	0.09	
-1042	H2B	SLES	1	-10.8084	20.5869	29.8812	HCA2	1040	0	0	0	0.09	
-1043	C1	SLES	1	-11.1938	19.0114	28.3934	CC32A	1040	1044	1045	1046	-0.01	
-1044	H1B	SLES	1	-12.129	18.5394	28.0211	HCA2	1043	0	0	0	0.09	
-1045	H1A	SLES	1	-10.8692	19.7802	27.6639	HCA2	1043	0	0	0	0.09	
-1046	O1	SLES	1	-10.2597	17.899	28.2122	OC30A	1043	1047	0	0	-0.34	
-1047	C1	SLES	1	-9.62041	17.8317	26.8852	CTL2	1046	1048	1049	1050	-0.18	
-1048	H11	SLES	1	-10.1439	18.555	26.2341	HAL2	1047	0	0	0	0.09	
-1049	H12	SLES	1	-8.60787	18.2249	27.1119	HAL2	1047	0	0	0	0.09	
-1050	C2	SLES	1	-9.50135	16.4412	26.1445	CTL2	1047	1051	1052	1053	-0.18	
-1051	H21	SLES	1	-9.98891	15.6553	26.7637	HAL2	1050	0	0	0	0.09	
-1052	H22	SLES	1	-8.42597	16.1776	26.0412	HAL2	1050	0	0	0	0.09	
-1053	C3	SLES	1	-10.1812	16.459	24.6898	CTL2	1050	1054	1055	1056	-0.18	
-1054	H31	SLES	1	-11.1576	15.9276	24.7408	HAL2	1053	0	0	0	0.09	
-1055	H32	SLES	1	-10.3807	17.5091	24.397	HAL2	1053	0	0	0	0.09	
-1056	C4	SLES	1	-9.28209	15.7766	23.5771	CTL2	1053	1057	1058	1059	-0.18	
-1057	H41	SLES	1	-9.67608	14.7598	23.37	HAL2	1056	0	0	0	0.09	
-1058	H42	SLES	1	-8.24458	15.6702	23.9608	HAL2	1056	0	0	0	0.09	
-1059	C5	SLES	1	-9.2487	16.6106	22.2176	CTL2	1056	1060	1061	1062	-0.18	
-1060	H51	SLES	1	-10.1063	17.319	22.205	HAL2	1059	0	0	0	0.09	
-1061	H52	SLES	1	-8.30991	17.2093	22.1823	HAL2	1059	0	0	0	0.09	
-1062	C6	SLES	1	-9.32266	15.698	20.9358	CTL2	1059	1063	1064	1065	-0.18	
-1063	H61	SLES	1	-10.3529	15.2872	20.8418	HAL2	1062	0	0	0	0.09	
-1064	H62	SLES	1	-9.1188	16.3223	20.0346	HAL2	1062	0	0	0	0.09	
-1065	C7	SLES	1	-8.30429	14.5149	20.9753	CTL2	1062	1066	1067	1068	-0.18	
-1066	H71	SLES	1	-8.72652	13.6934	21.5955	HAL2	1065	0	0	0	0.09	
-1067	H72	SLES	1	-7.36316	14.8608	21.458	HAL2	1065	0	0	0	0.09	
-1068	C8	SLES	1	-7.97546	13.9632	19.5657	CTL2	1065	1069	1070	1071	-0.18	
-1069	H81	SLES	1	-8.92399	13.8288	18.9968	HAL2	1068	0	0	0	0.09	
-1070	H82	SLES	1	-7.34974	14.7063	19.0209	HAL2	1068	0	0	0	0.09	
-1071	C9	SLES	1	-7.22228	12.6104	19.6207	CTL2	1068	1072	1073	1074	-0.18	
-1072	H91	SLES	1	-7.83548	11.8763	20.1911	HAL2	1071	0	0	0	0.09	
-1073	H92	SLES	1	-6.26151	12.7519	20.1651	HAL2	1071	0	0	0	0.09	
-1074	C10	SLES	1	-6.92602	12.0356	18.2152	CTL2	1071	1075	1076	1077	-0.18	
-1075	H10	SLES	1	-7.88852	11.8721	17.6789	HAL2	1074	0	0	0	0.09	
-1076	H10	SLES	1	-6.33167	12.7785	17.6364	HAL2	1074	0	0	0	0.09	
-1077	C11	SLES	1	-6.14465	10.6962	18.2736	CTL2	1074	1078	1079	1080	-0.18	
-1078	H11	SLES	1	-6.74621	9.9547	18.8475	HAL2	1077	0	0	0	0.09	
-1079	H11	SLES	1	-5.19154	10.8608	18.8262	HAL2	1077	0	0	0	0.09	
-1080	C12	SLES	1	-5.81753	10.1022	16.879	CTL3	1077	1081	1082	1083	-0.27	
-1081	H12	SLES	1	-6.26886	9.09099	16.7741	HAL3	1080	0	0	0	0.09	
-1082	H12	SLES	1	-4.71677	10.0148	16.7447	HAL3	1080	0	0	0	0.09	
-1083	H12	SLES	1	-6.22168	10.7557	16.0754	HAL3	1080	0	0	0	0.09	
-1084	NA	SLES	1	-20.7892	13.885	36.4293	NA	0	0	0	0	1	
-1085	S	SLES	1	-21.3913	16.0052	33.5151	SL	1086	1087	1088	1089	1.33	
-1086	OS1	SLES	1	-20.3627	14.6826	33.5273	OSL	1085	1090	0	0	-0.28	
-1087	OS2	SLES	1	-22.6965	15.511	33.9018	O2L	1085	0	0	0	-0.65	
-1088	OS3	SLES	1	-20.8903	16.9144	34.5244	O2L	1085	0	0	0	-0.65	
-1089	OS4	SLES	1	-21.4798	16.688	32.2343	O2L	1085	0	0	0	-0.65	
-1090	C2	SLES	1	-19.9042	14.3725	32.1438	CC32A	1086	1091	1092	1093	-0.11	
-1091	H2A	SLES	1	-20.7842	14.2184	31.459	HCA2	1090	0	0	0	0.09	
-1092	H2B	SLES	1	-19.2962	15.2407	31.766	HCA2	1090	0	0	0	0.09	
-1093	C1	SLES	1	-19.001	13.0498	32.1689	CC32A	1090	1094	1095	1096	-0.01	
-1094	H1B	SLES	1	-19.5728	12.209	32.6249	HCA2	1093	0	0	0	0.09	
-1095	H1A	SLES	1	-18.0819	13.2292	32.7741	HCA2	1093	0	0	0	0.09	
-1096	O1	SLES	1	-18.5012	12.4692	30.9076	OC30A	1093	1097	0	0	-0.34	
-1097	C2	SLES	1	-18.5094	13.333	29.7515	CC32A	1096	1098	1099	1100	-0.01	
-1098	H2A	SLES	1	-19.5877	13.5657	29.6518	HCA2	1097	0	0	0	0.09	
-1099	H2B	SLES	1	-17.9801	14.2383	30.125	HCA2	1097	0	0	0	0.09	
-1100	C1	SLES	1	-17.9342	12.9266	28.3582	CC32A	1097	1101	1102	1103	-0.01	
-1101	H1B	SLES	1	-18.736	12.4655	27.7413	HCA2	1100	0	0	0	0.09	
-1102	H1A	SLES	1	-17.562	13.8318	27.8379	HCA2	1100	0	0	0	0.09	
-1103	O1	SLES	1	-16.877	11.9289	28.1856	OC30A	1100	1104	0	0	-0.34	
-1104	C1	SLES	1	-16.0067	12.139	27.0142	CTL2	1103	1105	1106	1107	-0.18	
-1105	H11	SLES	1	-16.4741	12.9286	26.3983	HAL2	1104	0	0	0	0.09	
-1106	H12	SLES	1	-15.0953	12.5536	27.4925	HAL2	1104	0	0	0	0.09	
-1107	C2	SLES	1	-15.6194	10.9117	26.0978	CTL2	1104	1108	1109	1110	-0.18	
-1108	H21	SLES	1	-16.1296	9.99816	26.4771	HAL2	1107	0	0	0	0.09	
-1109	H22	SLES	1	-14.5221	10.7434	26.1638	HAL2	1107	0	0	0	0.09	
-1110	C3	SLES	1	-16.0257	11.139	24.561	CTL2	1107	1111	1112	1113	-0.18	
-1111	H31	SLES	1	-16.9377	10.5424	24.3364	HAL2	1110	0	0	0	0.09	
-1112	H32	SLES	1	-16.2726	12.2084	24.4069	HAL2	1110	0	0	0	0.09	
-1113	C4	SLES	1	-14.8784	10.725	23.5487	CTL2	1110	1114	1115	1116	-0.18	
-1114	H41	SLES	1	-15.126	9.73619	23.1094	HAL2	1113	0	0	0	0.09	
-1115	H42	SLES	1	-13.9212	10.6229	24.104	HAL2	1113	0	0	0	0.09	
-1116	C5	SLES	1	-14.6847	11.7853	22.3727	CTL2	1113	1117	1118	1119	-0.18	
-1117	H51	SLES	1	-15.5922	12.4254	22.3078	HAL2	1116	0	0	0	0.09	
-1118	H52	SLES	1	-13.8189	12.4427	22.616	HAL2	1116	0	0	0	0.09	
-1119	C6	SLES	1	-14.4367	11.1094	20.9716	CTL2	1116	1120	1121	1122	-0.18	
-1120	H61	SLES	1	-15.3875	10.653	20.6156	HAL2	1119	0	0	0	0.09	
-1121	H62	SLES	1	-14.1375	11.8946	20.2387	HAL2	1119	0	0	0	0.09	
-1122	C7	SLES	1	-13.3296	10.0091	21.0178	CTL2	1119	1123	1124	1125	-0.18	
-1123	H71	SLES	1	-13.7726	9.06481	21.405	HAL2	1122	0	0	0	0.09	
-1124	H72	SLES	1	-12.5294	10.3274	21.7225	HAL2	1122	0	0	0	0.09	
-1125	C8	SLES	1	-12.7003	9.73711	19.6288	CTL2	1122	1126	1127	1128	-0.18	
-1126	H81	SLES	1	-13.5133	9.64126	18.873	HAL2	1125	0	0	0	0.09	
-1127	H82	SLES	1	-12.0639	10.6049	19.3414	HAL2	1125	0	0	0	0.09	
-1128	C9	SLES	1	-11.8387	8.4496	19.6113	CTL2	1125	1129	1130	1131	-0.18	
-1129	H91	SLES	1	-12.4683	7.58704	19.9274	HAL2	1128	0	0	0	0.09	
-1130	H92	SLES	1	-11.01	8.55758	20.3469	HAL2	1128	0	0	0	0.09	
-1131	C10	SLES	1	-11.2397	8.15211	18.2163	CTL2	1128	1132	1133	1134	-0.18	
-1132	H10	SLES	1	-12.0693	8.02089	17.4847	HAL2	1131	0	0	0	0.09	
-1133	H10	SLES	1	-10.6278	9.02343	17.8899	HAL2	1131	0	0	0	0.09	
-1134	C11	SLES	1	-10.3524	6.87903	18.2098	CTL2	1131	1135	1136	1137	-0.18	
-1135	H11	SLES	1	-10.9705	6.00935	18.5303	HAL2	1134	0	0	0	0.09	
-1136	H11	SLES	1	-9.53498	7.00769	18.9555	HAL2	1134	0	0	0	0.09	
-1137	C12	SLES	1	-9.72323	6.56282	16.8282	CTL3	1134	1138	1139	1140	-0.27	
-1138	H12	SLES	1	-10.0458	5.55768	16.4776	HAL3	1137	0	0	0	0.09	
-1139	H12	SLES	1	-8.61308	6.57466	16.8973	HAL3	1137	0	0	0	0.09	
-1140	H12	SLES	1	-10.0396	7.31862	16.0767	HAL3	1137	0	0	0	0.09	
-1141	NA	SLES	1	-25.2908	3.47373	36.061	NA	0	0	0	0	1	
-1142	S	SLES	1	-25.8203	6.16724	33.6495	SL	1143	1144	1145	1146	1.33	
-1143	OS1	SLES	1	-24.676	4.95527	33.4789	OSL	1142	1147	0	0	-0.28	
-1144	OS2	SLES	1	-27.1027	5.50448	33.7669	O2L	1142	0	0	0	-0.65	
-1145	OS3	SLES	1	-25.5035	6.84902	34.887	O2L	1142	0	0	0	-0.65	
-1146	OS4	SLES	1	-25.8548	7.12213	32.5534	O2L	1142	0	0	0	-0.65	
-1147	C2	SLES	1	-24.0643	5.01032	32.1213	CC32A	1143	1148	1149	1150	-0.11	
-1148	H2A	SLES	1	-24.8587	4.95794	31.3254	HCA2	1147	0	0	0	0.09	
-1149	H2B	SLES	1	-23.5095	5.98392	32.0187	HCA2	1147	0	0	0	0.09	
-1150	C1	SLES	1	-23.0455	3.78631	31.9491	CC32A	1147	1151	1152	1153	-0.01	
-1151	H1B	SLES	1	-23.5742	2.82364	32.1375	HCA2	1150	0	0	0	0.09	
-1152	H1A	SLES	1	-22.2075	3.88457	32.6779	HCA2	1150	0	0	0	0.09	
-1153	O1	SLES	1	-22.3783	3.55352	30.6535	OC30A	1150	1154	0	0	-0.34	
-1154	C2	SLES	1	-22.362	4.6605	29.7278	CC32A	1153	1155	1156	1157	-0.01	
-1155	H2A	SLES	1	-23.4438	4.83253	29.5631	HCA2	1154	0	0	0	0.09	
-1156	H2B	SLES	1	-21.958	5.48905	30.352	HCA2	1154	0	0	0	0.09	
-1157	C1	SLES	1	-21.6245	4.63286	28.352	CC32A	1154	1158	1159	1160	-0.01	
-1158	H1B	SLES	1	-22.3184	4.27252	27.5616	HCA2	1157	0	0	0	0.09	
-1159	H1A	SLES	1	-21.2938	5.65871	28.0935	HCA2	1157	0	0	0	0.09	
-1160	O1	SLES	1	-20.4658	3.78109	28.0787	OC30A	1157	1161	0	0	-0.34	
-1161	C1	SLES	1	-19.515	4.3206	27.0893	CTL2	1160	1162	1163	1164	-0.18	
-1162	H11	SLES	1	-19.9966	5.19674	26.6186	HAL2	1161	0	0	0	0.09	
-1163	H12	SLES	1	-18.6953	4.67603	27.7474	HAL2	1161	0	0	0	0.09	
-1164	C2	SLES	1	-18.9296	3.37205	25.9696	CTL2	1161	1165	1166	1167	-0.18	
-1165	H21	SLES	1	-19.3835	2.36116	26.0743	HAL2	1164	0	0	0	0.09	
-1166	H22	SLES	1	-17.8322	3.27175	26.1183	HAL2	1164	0	0	0	0.09	
-1167	C3	SLES	1	-19.2122	3.92234	24.4878	CTL2	1164	1168	1169	1170	-0.18	
-1168	H31	SLES	1	-20.0386	3.33108	24.0343	HAL2	1167	0	0	0	0.09	
-1169	H32	SLES	1	-19.5445	4.97767	24.5515	HAL2	1167	0	0	0	0.09	
-1170	C4	SLES	1	-17.9421	3.83918	23.5431	CTL2	1167	1171	1172	1173	-0.18	
-1171	H41	SLES	1	-18.0528	2.96518	22.8678	HAL2	1170	0	0	0	0.09	
-1172	H42	SLES	1	-17.0349	3.67885	24.1646	HAL2	1170	0	0	0	0.09	
-1173	C5	SLES	1	-17.7425	5.1558	22.6648	CTL2	1170	1174	1175	1176	-0.18	
-1174	H51	SLES	1	-18.6969	5.72693	22.6445	HAL2	1173	0	0	0	0.09	
-1175	H52	SLES	1	-16.9694	5.79828	23.1449	HAL2	1173	0	0	0	0.09	
-1176	C6	SLES	1	-17.303	4.84519	21.1843	CTL2	1173	1177	1178	1179	-0.18	
-1177	H61	SLES	1	-18.1691	4.4179	20.6308	HAL2	1176	0	0	0	0.09	
-1178	H62	SLES	1	-17.0135	5.79923	20.6849	HAL2	1176	0	0	0	0.09	
-1179	C7	SLES	1	-16.1052	3.84648	21.1054	CTL2	1176	1180	1181	1182	-0.18	
-1180	H71	SLES	1	-16.4901	2.80876	21.2183	HAL2	1179	0	0	0	0.09	
-1181	H72	SLES	1	-15.4074	4.0477	21.9485	HAL2	1179	0	0	0	0.09	
-1182	C8	SLES	1	-15.3273	3.95204	19.77	CTL2	1179	1183	1184	1185	-0.18	
-1183	H81	SLES	1	-16.0542	3.97752	18.926	HAL2	1182	0	0	0	0.09	
-1184	H82	SLES	1	-14.7526	4.90609	19.7581	HAL2	1182	0	0	0	0.09	
-1185	C9	SLES	1	-14.3491	2.76909	19.5599	CTL2	1182	1186	1187	1188	-0.18	
-1186	H91	SLES	1	-14.9202	1.81388	19.6015	HAL2	1185	0	0	0	0.09	
-1187	H92	SLES	1	-13.6059	2.7612	20.3888	HAL2	1185	0	0	0	0.09	
-1188	C10	SLES	1	-13.5983	2.84913	18.2096	CTL2	1185	1189	1190	1191	-0.18	
-1189	H10	SLES	1	-14.3406	2.83348	17.3793	HAL2	1188	0	0	0	0.09	
-1190	H10	SLES	1	-13.0447	3.81397	18.158	HAL2	1188	0	0	0	0.09	
-1191	C11	SLES	1	-12.5971	1.67945	18.0162	CTL2	1188	1192	1193	1194	-0.18	
-1192	H11	SLES	1	-13.1565	0.717131	18.0618	HAL2	1191	0	0	0	0.09	
-1193	H11	SLES	1	-11.8679	1.68843	18.8583	HAL2	1191	0	0	0	0.09	
-1194	C12	SLES	1	-11.8158	1.74034	16.6781	CTL3	1191	1195	1196	1197	-0.27	
-1195	H12	SLES	1	-12.0075	0.824486	16.0766	HAL3	1194	0	0	0	0.09	
-1196	H12	SLES	1	-10.7229	1.81496	16.8717	HAL3	1194	0	0	0	0.09	
-1197	H12	SLES	1	-12.1319	2.62618	16.0852	HAL3	1194	0	0	0	0.09	
-1198	NA	SLES	1	-25.1072	-7.80339	35.508	NA	0	0	0	0	1	
-1199	S	SLES	1	-25.8848	-4.64482	33.8439	SL	1200	1201	1202	1203	1.33	
-1200	OS1	SLES	1	-24.6454	-5.67555	33.3869	OSL	1199	1204	0	0	-0.28	
-1201	OS2	SLES	1	-27.1062	-5.42027	33.7776	O2L	1199	0	0	0	-0.65	
-1202	OS3	SLES	1	-25.6128	-4.27136	35.2162	O2L	1199	0	0	0	-0.65	
-1203	OS4	SLES	1	-26.0104	-3.45179	33.0222	O2L	1199	0	0	0	-0.65	
-1204	C2	SLES	1	-24.055	-5.23092	32.0931	CC32A	1200	1205	1206	1207	-0.11	
-1205	H2A	SLES	1	-24.8506	-5.14794	31.3011	HCA2	1204	0	0	0	0.09	
-1206	H2B	SLES	1	-23.5843	-4.22001	32.244	HCA2	1204	0	0	0	0.09	
-1207	C1	SLES	1	-22.9396	-6.28332	31.6302	CC32A	1204	1208	1209	1210	-0.01	
-1208	H1B	SLES	1	-23.3843	-7.30306	31.5654	HCA2	1207	0	0	0	0.09	
-1209	H1A	SLES	1	-22.105	-6.30159	32.3692	HCA2	1207	0	0	0	0.09	
-1210	O1	SLES	1	-22.2692	-6.12721	30.3248	OC30A	1207	1211	0	0	-0.34	
-1211	C2	SLES	1	-22.355	-4.82602	29.7066	CC32A	1210	1212	1213	1214	-0.01	
-1212	H2A	SLES	1	-23.449	-4.70889	29.5788	HCA2	1211	0	0	0	0.09	
-1213	H2B	SLES	1	-22.0148	-4.14989	30.523	HCA2	1211	0	0	0	0.09	
-1214	C1	SLES	1	-21.6324	-4.44611	28.3759	CC32A	1211	1215	1216	1217	-0.01	
-1215	H1B	SLES	1	-22.3022	-4.65312	27.513	HCA2	1214	0	0	0	0.09	
-1216	H1A	SLES	1	-21.3911	-3.36434	28.3865	HCA2	1214	0	0	0	0.09	
-1217	O1	SLES	1	-20.4098	-5.10249	27.91	OC30A	1214	1218	0	0	-0.34	
-1218	C1	SLES	1	-19.5178	-4.25476	27.0977	CTL2	1217	1219	1220	1221	-0.18	
-1219	H11	SLES	1	-20.0757	-3.33179	26.8567	HAL2	1218	0	0	0	0.09	
-1220	H12	SLES	1	-18.7236	-4.00878	27.8326	HAL2	1218	0	0	0	0.09	
-1221	C2	SLES	1	-18.8674	-4.83989	25.7821	CTL2	1218	1222	1223	1224	-0.18	
-1222	H21	SLES	1	-19.2343	-5.8789	25.6251	HAL2	1221	0	0	0	0.09	
-1223	H22	SLES	1	-17.7639	-4.88251	25.9126	HAL2	1221	0	0	0	0.09	
-1224	C3	SLES	1	-19.2105	-3.96095	24.4828	CTL2	1221	1225	1226	1227	-0.18	
-1225	H31	SLES	1	-19.9896	-4.48624	23.8867	HAL2	1224	0	0	0	0.09	
-1226	H32	SLES	1	-19.6289	-2.98683	24.8057	HAL2	1224	0	0	0	0.09	
-1227	C4	SLES	1	-17.9481	-3.69837	23.5611	CTL2	1224	1228	1229	1230	-0.18	
-1228	H41	SLES	1	-17.9928	-4.38109	22.687	HAL2	1227	0	0	0	0.09	
-1229	H42	SLES	1	-17.0241	-3.93333	24.1321	HAL2	1227	0	0	0	0.09	
-1230	C5	SLES	1	-17.8682	-2.1916	23.0433	CTL2	1227	1231	1232	1233	-0.18	
-1231	H51	SLES	1	-18.867	-1.71521	23.1568	HAL2	1230	0	0	0	0.09	
-1232	H52	SLES	1	-17.1463	-1.62803	23.6775	HAL2	1230	0	0	0	0.09	
-1233	C6	SLES	1	-17.4201	-2.08314	21.5371	CTL2	1230	1234	1235	1236	-0.18	
-1234	H61	SLES	1	-18.2534	-2.4285	20.8849	HAL2	1233	0	0	0	0.09	
-1235	H62	SLES	1	-17.2165	-1.01362	21.296	HAL2	1233	0	0	0	0.09	
-1236	C7	SLES	1	-16.1442	-2.92674	21.2228	CTL2	1233	1237	1238	1239	-0.18	
-1237	H71	SLES	1	-16.4401	-3.98794	21.0677	HAL2	1236	0	0	0	0.09	
-1238	H72	SLES	1	-15.4566	-2.88606	22.0968	HAL2	1236	0	0	0	0.09	
-1239	C8	SLES	1	-15.392	-2.42512	19.965	CTL2	1236	1240	1241	1242	-0.18	
-1240	H81	SLES	1	-16.1275	-2.24937	19.1467	HAL2	1239	0	0	0	0.09	
-1241	H82	SLES	1	-14.899	-1.45415	20.1989	HAL2	1239	0	0	0	0.09	
-1242	C9	SLES	1	-14.321	-3.4318	19.4752	CTL2	1239	1243	1244	1245	-0.18	
-1243	H91	SLES	1	-14.8101	-4.41104	19.2698	HAL2	1242	0	0	0	0.09	
-1244	H92	SLES	1	-13.571	-3.58545	20.2835	HAL2	1242	0	0	0	0.09	
-1245	C10	SLES	1	-13.5938	-2.95331	18.1963	CTL2	1242	1246	1247	1248	-0.18	
-1246	H10	SLES	1	-14.3411	-2.82192	17.3807	HAL2	1245	0	0	0	0.09	
-1247	H10	SLES	1	-13.1231	-1.96373	18.3943	HAL2	1245	0	0	0	0.09	
-1248	C11	SLES	1	-12.5008	-3.94946	17.7263	CTL2	1245	1249	1250	1251	-0.18	
-1249	H11	SLES	1	-12.9776	-4.93558	17.523	HAL2	1248	0	0	0	0.09	
-1250	H11	SLES	1	-11.766	-4.09133	18.5515	HAL2	1248	0	0	0	0.09	
-1251	C12	SLES	1	-11.7416	-3.48996	16.4547	CTL3	1248	1252	1253	1254	-0.27	
-1252	H12	SLES	1	-11.8627	-4.2383	15.6406	HAL3	1251	0	0	0	0.09	
-1253	H12	SLES	1	-10.6568	-3.37553	16.6724	HAL3	1251	0	0	0	0.09	
-1254	H12	SLES	1	-12.1367	-2.51322	16.0997	HAL3	1251	0	0	0	0.09	
-1255	NA	SLES	1	-20.36	-17.9418	34.8661	NA	0	0	0	0	1	
-1256	S	SLES	1	-21.5422	-14.5787	34.0647	SL	1257	1258	1259	1260	1.33	
-1257	OS1	SLES	1	-20.2913	-15.3575	33.2672	OSL	1256	1261	0	0	-0.28	
-1258	OS2	SLES	1	-22.7049	-15.4321	33.9322	O2L	1256	0	0	0	-0.65	
-1259	OS3	SLES	1	-21.1459	-14.4992	35.4551	O2L	1256	0	0	0	-0.65	
-1260	OS4	SLES	1	-21.8437	-13.249	33.5594	O2L	1256	0	0	0	-0.65	
-1261	C2	SLES	1	-19.8823	-14.5792	32.0642	CC32A	1257	1262	1263	1264	-0.11	
-1262	H2A	SLES	1	-20.7654	-14.3964	31.3904	HCA2	1261	0	0	0	0.09	
-1263	H2B	SLES	1	-19.4711	-13.588	32.4028	HCA2	1261	0	0	0	0.09	
-1264	C1	SLES	1	-18.7535	-15.3894	31.2674	CC32A	1261	1265	1266	1267	-0.01	
-1265	H1B	SLES	1	-19.1286	-16.4061	31.0076	HCA2	1264	0	0	0	0.09	
-1266	H1A	SLES	1	-17.8423	-15.4939	31.9014	HCA2	1264	0	0	0	0.09	
-1267	O1	SLES	1	-18.246	-14.8807	29.9783	OC30A	1264	1268	0	0	-0.34	
-1268	C2	SLES	1	-18.493	-13.4881	29.6918	CC32A	1267	1269	1270	1271	-0.01	
-1269	H2A	SLES	1	-19.6	-13.4499	29.6964	HCA2	1268	0	0	0	0.09	
-1270	H2B	SLES	1	-18.1129	-12.9836	30.6084	HCA2	1268	0	0	0	0.09	
-1271	C1	SLES	1	-17.9527	-12.7516	28.4257	CC32A	1268	1272	1273	1274	-0.01	
-1272	H1B	SLES	1	-18.6982	-12.8221	27.6039	HCA2	1271	0	0	0	0.09	
-1273	H1A	SLES	1	-17.7895	-11.682	28.6663	HCA2	1271	0	0	0	0.09	
-1274	O1	SLES	1	-16.746	-13.167	27.7085	OC30A	1271	1275	0	0	-0.34	
-1275	C1	SLES	1	-16.0132	-12.0773	27.0379	CTL2	1274	1276	1277	1278	-0.18	
-1276	H11	SLES	1	-16.659	-11.1812	27.0717	HAL2	1275	0	0	0	0.09	
-1277	H12	SLES	1	-15.1615	-11.9284	27.7334	HAL2	1275	0	0	0	0.09	
-1278	C2	SLES	1	-15.4738	-12.287	25.5678	CTL2	1275	1279	1280	1281	-0.18	
-1279	H21	SLES	1	-15.7808	-13.2942	25.207	HAL2	1278	0	0	0	0.09	
-1280	H22	SLES	1	-14.3624	-12.2526	25.5823	HAL2	1278	0	0	0	0.09	
-1281	C3	SLES	1	-16.0219	-11.1752	24.547	CTL2	1278	1282	1283	1284	-0.18	
-1282	H31	SLES	1	-16.8232	-11.6247	23.9193	HAL2	1281	0	0	0	0.09	
-1283	H32	SLES	1	-16.47	-10.343	25.1257	HAL2	1281	0	0	0	0.09	
-1284	C4	SLES	1	-14.8924	-10.5931	23.5996	CTL2	1281	1285	1286	1287	-0.18	
-1285	H41	SLES	1	-14.9856	-11.0629	22.5982	HAL2	1284	0	0	0	0.09	
-1286	H42	SLES	1	-13.896	-10.8614	24.0121	HAL2	1284	0	0	0	0.09	
-1287	C5	SLES	1	-14.9786	-9.00792	23.4429	CTL2	1284	1288	1289	1290	-0.18	
-1288	H51	SLES	1	-15.9899	-8.66656	23.7562	HAL2	1287	0	0	0	0.09	
-1289	H52	SLES	1	-14.2324	-8.53526	24.1217	HAL2	1287	0	0	0	0.09	
-1290	C6	SLES	1	-14.7106	-8.52139	21.9689	CTL2	1287	1291	1292	1293	-0.18	
-1291	H61	SLES	1	-15.5847	-8.78897	21.3338	HAL2	1290	0	0	0	0.09	
-1292	H62	SLES	1	-14.612	-7.41065	21.9665	HAL2	1290	0	0	0	0.09	
-1293	C7	SLES	1	-13.4208	-9.14731	21.3499	CTL2	1290	1294	1295	1296	-0.18	
-1294	H71	SLES	1	-13.6557	-10.1697	20.9792	HAL2	1293	0	0	0	0.09	
-1295	H72	SLES	1	-12.6445	-9.23893	22.1419	HAL2	1293	0	0	0	0.09	
-1296	C8	SLES	1	-12.8517	-8.30643	20.18	CTL2	1293	1297	1298	1299	-0.18	
-1297	H81	SLES	1	-13.6847	-8.02202	19.4969	HAL2	1296	0	0	0	0.09	
-1298	H82	SLES	1	-12.4062	-7.37051	20.5877	HAL2	1296	0	0	0	0.09	
-1299	C9	SLES	1	-11.773	-9.07054	19.3721	CTL2	1296	1300	1301	1302	-0.18	
-1300	H91	SLES	1	-12.2108	-10.0205	18.9897	HAL2	1299	0	0	0	0.09	
-1301	H92	SLES	1	-10.9282	-9.32989	20.0493	HAL2	1299	0	0	0	0.09	
-1302	C10	SLES	1	-11.2293	-8.24973	18.1787	CTL2	1299	1303	1304	1305	-0.18	
-1303	H10	SLES	1	-12.0705	-8.01006	17.4889	HAL2	1302	0	0	0	0.09	
-1304	H10	SLES	1	-10.8113	-7.2898	18.5579	HAL2	1302	0	0	0	0.09	
-1305	C11	SLES	1	-10.1274	-9.00597	17.3902	CTL2	1302	1306	1307	1308	-0.18	
-1306	H11	SLES	1	-10.5523	-9.96193	17.0072	HAL2	1305	0	0	0	0.09	
-1307	H11	SLES	1	-9.29673	-9.25914	18.088	HAL2	1305	0	0	0	0.09	
-1308	C12	SLES	1	-9.54976	-8.20216	16.1965	CTL3	1305	1309	1310	1311	-0.27	
-1309	H12	SLES	1	-9.70735	-8.75634	15.245	HAL3	1308	0	0	0	0.09	
-1310	H12	SLES	1	-8.45835	-8.03687	16.3339	HAL3	1308	0	0	0	0.09	
-1311	H12	SLES	1	-10.0508	-7.21278	16.1175	HAL3	1308	0	0	0	0.09	
-1312	NA	SLES	1	-11.9705	-25.2187	34.2462	NA	0	0	0	0	1	
-1313	S	SLES	1	-13.5094	-21.9049	34.2737	SL	1314	1315	1316	1317	1.33	
-1314	OS1	SLES	1	-12.3869	-22.418	33.1405	OSL	1313	1318	0	0	-0.28	
-1315	OS2	SLES	1	-14.6155	-22.8371	34.2039	O2L	1313	0	0	0	-0.65	
-1316	OS3	SLES	1	-12.8577	-22.0099	35.5624	O2L	1313	0	0	0	-0.65	
-1317	OS4	SLES	1	-13.9919	-20.548	34.0724	O2L	1313	0	0	0	-0.65	
-1318	C2	SLES	1	-12.2719	-21.4206	32.0395	CC32A	1314	1319	1320	1321	-0.11	
-1319	H2A	SLES	1	-13.279	-21.2209	31.5778	HCA2	1318	0	0	0	0.09	
-1320	H2B	SLES	1	-11.8707	-20.4605	32.4678	HCA2	1318	0	0	0	0.09	
-1321	C1	SLES	1	-11.2667	-21.9769	30.9234	CC32A	1318	1322	1323	1324	-0.01	
-1322	H1B	SLES	1	-11.6156	-22.971	30.5605	HCA2	1321	0	0	0	0.09	
-1323	H1A	SLES	1	-10.2451	-22.0905	31.3553	HCA2	1321	0	0	0	0.09	
-1324	O1	SLES	1	-11.0537	-21.2207	29.6741	OC30A	1321	1325	0	0	-0.34	
-1325	C2	SLES	1	-11.4448	-19.8316	29.6857	CC32A	1324	1326	1327	1328	-0.01	
-1326	H2A	SLES	1	-12.5299	-19.9047	29.8955	HCA2	1325	0	0	0	0.09	
-1327	H2B	SLES	1	-10.9293	-19.4451	30.5936	HCA2	1325	0	0	0	0.09	
-1328	C1	SLES	1	-11.2106	-18.8522	28.4928	CC32A	1325	1329	1330	1331	-0.01	
-1329	H1B	SLES	1	-12.0946	-18.864	27.8187	HCA2	1328	0	0	0	0.09	
-1330	H1A	SLES	1	-11.0764	-17.824	28.8844	HCA2	1328	0	0	0	0.09	
-1331	O1	SLES	1	-10.1404	-19.0257	27.5092	OC30A	1328	1332	0	0	-0.34	
-1332	C1	SLES	1	-9.62635	-17.7755	26.9202	CTL2	1331	1333	1334	1335	-0.18	
-1333	H11	SLES	1	-10.3123	-16.9649	27.2262	HAL2	1332	0	0	0	0.09	
-1334	H12	SLES	1	-8.66811	-17.656	27.4668	HAL2	1332	0	0	0	0.09	
-1335	C2	SLES	1	-9.36882	-17.6928	25.3636	CTL2	1332	1336	1337	1338	-0.18	
-1336	H21	SLES	1	-9.6713	-18.6547	24.8924	HAL2	1335	0	0	0	0.09	
-1337	H22	SLES	1	-8.28054	-17.551	25.1844	HAL2	1335	0	0	0	0.09	
-1338	C3	SLES	1	-10.1777	-16.4919	24.6693	CTL2	1335	1339	1340	1341	-0.18	
-1339	H31	SLES	1	-11.0533	-16.9125	24.1263	HAL2	1338	0	0	0	0.09	
-1340	H32	SLES	1	-10.5604	-15.8116	25.456	HAL2	1338	0	0	0	0.09	
-1341	C4	SLES	1	-9.2948	-15.6566	23.652	CTL2	1338	1342	1343	1344	-0.18	
-1342	H41	SLES	1	-9.54824	-15.967	22.6168	HAL2	1341	0	0	0	0.09	
-1343	H42	SLES	1	-8.2216	-15.8872	23.8254	HAL2	1341	0	0	0	0.09	
-1344	C5	SLES	1	-9.51633	-14.0832	23.7944	CTL2	1341	1345	1346	1347	-0.18	
-1345	H51	SLES	1	-10.4685	-13.8985	24.339	HAL2	1344	0	0	0	0.09	
-1346	H52	SLES	1	-8.68643	-13.6536	24.4007	HAL2	1344	0	0	0	0.09	
-1347	C6	SLES	1	-9.57204	-13.343	22.405	CTL2	1344	1348	1349	1350	-0.18	
-1348	H61	SLES	1	-10.5326	-13.591	21.9001	HAL2	1347	0	0	0	0.09	
-1349	H62	SLES	1	-9.55088	-12.242	22.5803	HAL2	1347	0	0	0	0.09	
-1350	C7	SLES	1	-8.38734	-13.7307	21.4646	CTL2	1347	1351	1352	1353	-0.18	
-1351	H71	SLES	1	-8.62006	-14.6988	20.9682	HAL2	1350	0	0	0	0.09	
-1352	H72	SLES	1	-7.46804	-13.8704	22.0759	HAL2	1350	0	0	0	0.09	
-1353	C8	SLES	1	-8.11332	-12.6613	20.378	CTL2	1350	1354	1355	1356	-0.18	
-1354	H81	SLES	1	-9.08002	-12.3554	19.9161	HAL2	1353	0	0	0	0.09	
-1355	H82	SLES	1	-7.66141	-11.7631	20.8572	HAL2	1353	0	0	0	0.09	
-1356	C9	SLES	1	-7.16244	-13.1755	19.2681	CTL2	1353	1357	1358	1359	-0.18	
-1357	H91	SLES	1	-7.60099	-14.0907	18.8095	HAL2	1356	0	0	0	0.09	
-1358	H92	SLES	1	-6.18709	-13.4547	19.7266	HAL2	1356	0	0	0	0.09	
-1359	C10	SLES	1	-6.91661	-12.1245	18.1598	CTL2	1356	1360	1361	1362	-0.18	
-1360	H10	SLES	1	-7.88956	-11.8622	17.6851	HAL2	1359	0	0	0	0.09	
-1361	H10	SLES	1	-6.49872	-11.2009	18.6207	HAL2	1359	0	0	0	0.09	
-1362	C11	SLES	1	-5.9397	-12.6317	17.066	CTL2	1359	1363	1364	1365	-0.18	
-1363	H11	SLES	1	-6.36534	-13.5515	16.6035	HAL2	1362	0	0	0	0.09	
-1364	H11	SLES	1	-4.97459	-12.9096	17.548	HAL2	1362	0	0	0	0.09	
-1365	C12	SLES	1	-5.65956	-11.594	15.9483	CTL3	1362	1366	1367	1368	-0.27	
-1366	H12	SLES	1	-5.96064	-12.0017	14.9581	HAL3	1365	0	0	0	0.09	
-1367	H12	SLES	1	-4.57587	-11.3453	15.9146	HAL3	1365	0	0	0	0.09	
-1368	H12	SLES	1	-6.23188	-10.6594	16.1355	HAL3	1365	0	0	0	0.09	
-1369	NA	SLES	1	-1.43447	-28.4708	33.7556	NA	0	0	0	0	1	
-1370	S	SLES	1	-3.1615	-25.3233	34.4347	SL	1371	1372	1373	1374	1.33	
-1371	OS1	SLES	1	-2.31167	-25.6526	33.0287	OSL	1370	1375	0	0	-0.28	
-1372	OS2	SLES	1	-4.17965	-26.3473	34.5457	O2L	1370	0	0	0	-0.65	
-1373	OS3	SLES	1	-2.21148	-25.4541	35.5196	O2L	1370	0	0	0	-0.65	
-1374	OS4	SLES	1	-3.7772	-24.0065	34.4723	O2L	1370	0	0	0	-0.65	
-1375	C2	SLES	1	-2.54045	-24.5769	32.0233	CC32A	1371	1376	1377	1378	-0.11	
-1376	H2A	SLES	1	-3.64118	-24.4408	31.8309	HCA2	1375	0	0	0	0.09	
-1377	H2B	SLES	1	-2.11956	-23.6148	32.4276	HCA2	1375	0	0	0	0.09	
-1378	C1	SLES	1	-1.79674	-24.9611	30.6576	CC32A	1375	1379	1380	1381	-0.01	
-1379	H1B	SLES	1	-2.14869	-25.9566	30.3014	HCA2	1378	0	0	0	0.09	
-1380	H1A	SLES	1	-0.695482	-25.0083	30.8255	HCA2	1378	0	0	0	0.09	
-1381	O1	SLES	1	-1.94878	-24.1059	29.4645	OC30A	1378	1382	0	0	-0.34	
-1382	C2	SLES	1	-2.42695	-22.763	29.6896	CC32A	1381	1383	1384	1385	-0.01	
-1383	H2A	SLES	1	-3.42068	-22.9504	30.1416	HCA2	1382	0	0	0	0.09	
-1384	H2B	SLES	1	-1.73715	-22.3924	30.4809	HCA2	1382	0	0	0	0.09	
-1385	C1	SLES	1	-2.5613	-21.688	28.5656	CC32A	1382	1386	1387	1388	-0.01	
-1386	H1B	SLES	1	-3.57877	-21.7362	28.1201	HCA2	1385	0	0	0	0.09	
-1387	H1A	SLES	1	-2.41266	-20.6805	29.0032	HCA2	1385	0	0	0	0.09	
-1388	O1	SLES	1	-1.75096	-21.6948	27.3465	OC30A	1385	1389	0	0	-0.34	
-1389	C1	SLES	1	-1.48846	-20.3655	26.765	CTL2	1388	1390	1391	1392	-0.18	
-1390	H11	SLES	1	-2.13795	-19.6444	27.2936	HAL2	1389	0	0	0	0.09	
-1391	H12	SLES	1	-0.437993	-20.1948	27.0791	HAL2	1389	0	0	0	0.09	
-1392	C2	SLES	1	-1.62194	-20.1545	25.2049	CTL2	1389	1393	1394	1395	-0.18	
-1393	H21	SLES	1	-1.95749	-21.1063	24.7357	HAL2	1392	0	0	0	0.09	
-1394	H22	SLES	1	-0.622867	-19.9007	24.7878	HAL2	1392	0	0	0	0.09	
-1395	C3	SLES	1	-2.66121	-18.9897	24.8284	CTL2	1392	1396	1397	1398	-0.18	
-1396	H31	SLES	1	-3.60855	-19.4521	24.472	HAL2	1395	0	0	0	0.09	
-1397	H32	SLES	1	-2.89142	-18.4025	25.7397	HAL2	1395	0	0	0	0.09	
-1398	C4	SLES	1	-2.1148	-18.0095	23.7092	CTL2	1395	1399	1400	1401	-0.18	
-1399	H41	SLES	1	-2.58744	-18.2716	22.7396	HAL2	1398	0	0	0	0.09	
-1400	H42	SLES	1	-1.01749	-18.1507	23.6043	HAL2	1398	0	0	0	0.09	
-1401	C5	SLES	1	-2.41091	-16.4766	24.0371	CTL2	1398	1402	1403	1404	-0.18	
-1402	H51	SLES	1	-3.21406	-16.4181	24.8045	HAL2	1401	0	0	0	0.09	
-1403	H52	SLES	1	-1.49308	-16.0137	24.4663	HAL2	1401	0	0	0	0.09	
-1404	C6	SLES	1	-2.85556	-15.6528	22.7702	CTL2	1401	1405	1406	1407	-0.18	
-1405	H61	SLES	1	-3.88867	-15.9542	22.4857	HAL2	1404	0	0	0	0.09	
-1406	H62	SLES	1	-2.87405	-14.5689	23.0313	HAL2	1404	0	0	0	0.09	
-1407	C7	SLES	1	-1.90821	-15.8648	21.5471	CTL2	1404	1408	1409	1410	-0.18	
-1408	H71	SLES	1	-2.1819	-16.8146	21.0366	HAL2	1407	0	0	0	0.09	
-1409	H72	SLES	1	-0.860612	-15.9594	21.9103	HAL2	1407	0	0	0	0.09	
-1410	C8	SLES	1	-1.98496	-14.7037	20.5246	CTL2	1407	1411	1412	1413	-0.18	
-1411	H81	SLES	1	-3.05454	-14.4583	20.3318	HAL2	1410	0	0	0	0.09	
-1412	H82	SLES	1	-1.49818	-13.8018	20.9608	HAL2	1410	0	0	0	0.09	
-1413	C9	SLES	1	-1.29546	-15.0515	19.1815	CTL2	1410	1414	1415	1416	-0.18	
-1414	H91	SLES	1	-1.76305	-15.9705	18.7605	HAL2	1413	0	0	0	0.09	
-1415	H92	SLES	1	-0.220281	-15.2693	19.3713	HAL2	1413	0	0	0	0.09	
-1416	C10	SLES	1	-1.40336	-13.9099	18.1429	CTL2	1413	1417	1418	1419	-0.18	
-1417	H10	SLES	1	-2.47888	-13.7076	17.9353	HAL2	1416	0	0	0	0.09	
-1418	H10	SLES	1	-0.955816	-12.9848	18.5716	HAL2	1416	0	0	0	0.09	
-1419	C11	SLES	1	-0.685298	-14.2495	16.8098	CTL2	1416	1420	1421	1422	-0.18	
-1420	H11	SLES	1	-1.14102	-15.1715	16.3817	HAL2	1419	0	0	0	0.09	
-1421	H11	SLES	1	0.385543	-14.4685	17.0249	HAL2	1419	0	0	0	0.09	
-1422	C12	SLES	1	-0.761287	-13.1174	15.753	CTL3	1419	1423	1424	1425	-0.27	
-1423	H12	SLES	1	-1.26197	-13.4835	14.8296	HAL3	1422	0	0	0	0.09	
-1424	H12	SLES	1	0.260631	-12.7676	15.4871	HAL3	1422	0	0	0	0.09	
-1425	H12	SLES	1	-1.33877	-12.2546	16.1508	HAL3	1422	0	0	0	0.09	
-1426	NA	SLES	1	9.46704	-27.2326	33.479	NA	0	0	0	0	1	
-1427	S	SLES	1	7.69685	-24.2105	34.5199	SL	1428	1429	1430	1431	1.33	
-1428	OS1	SLES	1	8.19604	-24.5223	32.9511	OSL	1427	1432	0	0	-0.28	
-1429	OS2	SLES	1	6.83085	-25.3078	34.8986	O2L	1427	0	0	0	-0.65	
-1430	OS3	SLES	1	8.8942	-24.2249	35.334	O2L	1427	0	0	0	-0.65	
-1431	OS4	SLES	1	6.99809	-22.9467	34.69	O2L	1427	0	0	0	-0.65	
-1432	C2	SLES	1	7.63241	-23.5061	32.0185	CC32A	1428	1433	1434	1435	-0.11	
-1433	H2A	SLES	1	6.51086	-23.4656	32.1059	HCA2	1432	0	0	0	0.09	
-1434	H2B	SLES	1	8.05554	-22.4991	32.2893	HCA2	1432	0	0	0	0.09	
-1435	C1	SLES	1	8.04398	-23.8795	30.5162	CC32A	1432	1436	1437	1438	-0.01	
-1436	H1B	SLES	1	7.70217	-24.9124	30.2751	HCA2	1435	0	0	0	0.09	
-1437	H1A	SLES	1	9.15222	-23.8323	30.4034	HCA2	1435	0	0	0	0.09	
-1438	O1	SLES	1	7.52686	-23.0838	29.386	OC30A	1435	1439	0	0	-0.34	
-1439	C2	SLES	1	7.0051	-21.7761	29.7027	CC32A	1438	1440	1441	1442	-0.01	
-1440	H2A	SLES	1	6.17487	-22.0256	30.3922	HCA2	1439	0	0	0	0.09	
-1441	H2B	SLES	1	7.83506	-21.3226	30.29	HCA2	1439	0	0	0	0.09	
-1442	C1	SLES	1	6.50315	-20.7573	28.6316	CC32A	1439	1443	1444	1445	-0.01	
-1443	H1B	SLES	1	5.41504	-20.903	28.4561	HCA2	1442	0	0	0	0.09	
-1444	H1A	SLES	1	6.66798	-19.7257	29.0021	HCA2	1442	0	0	0	0.09	
-1445	O1	SLES	1	6.98274	-20.7441	27.2486	OC30A	1442	1446	0	0	-0.34	
-1446	C1	SLES	1	6.97639	-19.4204	26.5991	CTL2	1445	1447	1448	1449	-0.18	
-1447	H11	SLES	1	6.41862	-18.7346	27.2623	HAL2	1446	0	0	0	0.09	
-1448	H12	SLES	1	8.05309	-19.1548	26.6372	HAL2	1446	0	0	0	0.09	
-1449	C2	SLES	1	6.44183	-19.2783	25.1192	CTL2	1446	1450	1451	1452	-0.18	
-1450	H21	SLES	1	6.08401	-20.2706	24.764	HAL2	1449	0	0	0	0.09	
-1451	H22	SLES	1	7.28011	-18.9609	24.461	HAL2	1449	0	0	0	0.09	
-1452	C3	SLES	1	5.24474	-18.215	24.997	CTL2	1449	1453	1454	1455	-0.18	
-1453	H31	SLES	1	4.2823	-18.7645	24.8966	HAL2	1452	0	0	0	0.09	
-1454	H32	SLES	1	5.1981	-17.6149	25.9275	HAL2	1452	0	0	0	0.09	
-1455	C4	SLES	1	5.40897	-17.2361	23.7613	CTL2	1452	1456	1457	1458	-0.18	
-1456	H41	SLES	1	4.73485	-17.5707	22.9453	HAL2	1455	0	0	0	0.09	
-1457	H42	SLES	1	6.45383	-17.2929	23.387	HAL2	1455	0	0	0	0.09	
-1458	C5	SLES	1	5.07195	-15.7208	24.1289	CTL2	1455	1459	1460	1461	-0.18	
-1459	H51	SLES	1	4.48263	-15.6985	25.0721	HAL2	1458	0	0	0	0.09	
-1460	H52	SLES	1	6.02396	-15.1705	24.3071	HAL2	1458	0	0	0	0.09	
-1461	C6	SLES	1	4.25691	-14.9824	23.0012	CTL2	1458	1462	1463	1464	-0.18	
-1462	H61	SLES	1	3.21562	-15.3756	22.9894	HAL2	1461	0	0	0	0.09	
-1463	H62	SLES	1	4.21003	-13.8945	23.2416	HAL2	1461	0	0	0	0.09	
-1464	C7	SLES	1	4.88546	-15.1627	21.5832	CTL2	1461	1465	1466	1467	-0.18	
-1465	H71	SLES	1	4.57688	-16.1496	21.1724	HAL2	1464	0	0	0	0.09	
-1466	H72	SLES	1	5.99457	-15.1599	21.6737	HAL2	1464	0	0	0	0.09	
-1467	C8	SLES	1	4.45684	-14.05	20.5945	CTL2	1464	1468	1469	1470	-0.18	
-1468	H81	SLES	1	3.35578	-13.8981	20.6721	HAL2	1467	0	0	0	0.09	
-1469	H82	SLES	1	4.9567	-13.0966	20.8806	HAL2	1467	0	0	0	0.09	
-1470	C9	SLES	1	4.81857	-14.3907	19.127	CTL2	1467	1471	1472	1473	-0.18	
-1471	H91	SLES	1	4.3425	-15.359	18.8511	HAL2	1470	0	0	0	0.09	
-1472	H92	SLES	1	5.9219	-14.5148	19.0447	HAL2	1470	0	0	0	0.09	
-1473	C10	SLES	1	4.35761	-13.3004	18.1309	CTL2	1470	1474	1475	1476	-0.18	
-1474	H10	SLES	1	3.25087	-13.1926	18.1964	HAL2	1473	0	0	0	0.09	
-1475	H10	SLES	1	4.81573	-12.3273	18.4193	HAL2	1473	0	0	0	0.09	
-1476	C11	SLES	1	4.74868	-13.6303	16.6659	CTL2	1473	1477	1478	1479	-0.18	
-1477	H11	SLES	1	4.28252	-14.601	16.3801	HAL2	1476	0	0	0	0.09	
-1478	H11	SLES	1	5.8542	-13.755	16.6092	HAL2	1476	0	0	0	0.09	
-1479	C12	SLES	1	4.31477	-12.5475	15.6443	CTL3	1476	1480	1481	1482	-0.27	
-1480	H12	SLES	1	3.63409	-12.9863	14.8817	HAL3	1479	0	0	0	0.09	
-1481	H12	SLES	1	5.20435	-12.1272	15.1253	HAL3	1479	0	0	0	0.09	
-1482	H12	SLES	1	3.78169	-11.7196	16.1605	HAL3	1479	0	0	0	0.09	
-1483	NA	SLES	1	18.9481	-21.7531	33.4642	NA	0	0	0	0	1	
-1484	S	SLES	1	17.1537	-18.7486	34.5146	SL	1485	1486	1487	1488	1.33	
-1485	OS1	SLES	1	17.3369	-19.2333	32.9212	OSL	1484	1489	0	0	-0.28	
-1486	OS2	SLES	1	16.4984	-19.8424	35.2014	O2L	1484	0	0	0	-0.65	
-1487	OS3	SLES	1	18.492	-18.57	35.0377	O2L	1484	0	0	0	-0.65	
-1488	OS4	SLES	1	16.3874	-17.5249	34.6879	O2L	1484	0	0	0	-0.65	
-1489	C2	SLES	1	16.4924	-18.3935	32.0258	CC32A	1485	1490	1491	1492	-0.11	
-1490	H2A	SLES	1	15.4164	-18.4196	32.3554	HCA2	1489	0	0	0	0.09	
-1491	H2B	SLES	1	16.8634	-17.3324	32.0767	HCA2	1489	0	0	0	0.09	
-1492	C1	SLES	1	16.6105	-18.9364	30.5234	CC32A	1489	1493	1494	1495	-0.01	
-1493	H1B	SLES	1	16.3274	-20.0136	30.4862	HCA2	1492	0	0	0	0.09	
-1494	H1A	SLES	1	17.6597	-18.828	30.162	HCA2	1492	0	0	0	0.09	
-1495	O1	SLES	1	15.7908	-18.3379	29.4521	OC30A	1492	1496	0	0	-0.34	
-1496	C2	SLES	1	15.2234	-17.0389	29.7228	CC32A	1495	1497	1498	1499	-0.01	
-1497	H2A	SLES	1	14.5865	-17.2503	30.6039	HCA2	1496	0	0	0	0.09	
-1498	H2B	SLES	1	16.1109	-16.454	30.0538	HCA2	1496	0	0	0	0.09	
-1499	C1	SLES	1	14.4093	-16.2109	28.6792	CC32A	1496	1500	1501	1502	-0.01	
-1500	H1B	SLES	1	13.3282	-16.4542	28.7685	HCA2	1499	0	0	0	0.09	
-1501	H1A	SLES	1	14.5479	-15.1299	28.8814	HCA2	1499	0	0	0	0.09	
-1502	O1	SLES	1	14.5813	-16.3508	27.2323	OC30A	1499	1503	0	0	-0.34	
-1503	C1	SLES	1	14.3088	-15.1303	26.4512	CTL2	1502	1504	1505	1506	-0.18	
-1504	H11	SLES	1	13.8403	-14.4019	27.1376	HAL2	1503	0	0	0	0.09	
-1505	H12	SLES	1	15.3381	-14.7879	26.2175	HAL2	1503	0	0	0	0.09	
-1506	C2	SLES	1	13.4615	-15.2262	25.1211	CTL2	1503	1507	1508	1509	-0.18	
-1507	H21	SLES	1	13.1347	-16.2797	24.9723	HAL2	1506	0	0	0	0.09	
-1508	H22	SLES	1	14.1064	-14.943	24.2606	HAL2	1506	0	0	0	0.09	
-1509	C3	SLES	1	12.1682	-14.2748	25.1457	CTL2	1506	1510	1511	1512	-0.18	
-1510	H31	SLES	1	11.2644	-14.8983	25.3267	HAL2	1509	0	0	0	0.09	
-1511	H32	SLES	1	12.2618	-13.5596	25.9871	HAL2	1509	0	0	0	0.09	
-1512	C4	SLES	1	11.9709	-13.4621	23.7993	CTL2	1509	1513	1514	1515	-0.18	
-1513	H41	SLES	1	11.1749	-13.9495	23.1984	HAL2	1512	0	0	0	0.09	
-1514	H42	SLES	1	12.9131	-13.4962	23.211	HAL2	1512	0	0	0	0.09	
-1515	C5	SLES	1	11.5738	-11.9383	24.054	CTL2	1512	1516	1517	1518	-0.18	
-1516	H51	SLES	1	11.1985	-11.8301	25.0956	HAL2	1515	0	0	0	0.09	
-1517	H52	SLES	1	12.4839	-11.3042	23.9507	HAL2	1515	0	0	0	0.09	
-1518	C6	SLES	1	10.4705	-11.4168	23.058	CTL2	1515	1519	1520	1521	-0.18	
-1519	H61	SLES	1	9.4936	-11.8794	23.3241	HAL2	1518	0	0	0	0.09	
-1520	H62	SLES	1	10.3701	-10.3123	23.1748	HAL2	1518	0	0	0	0.09	
-1521	C7	SLES	1	10.7987	-11.7424	21.5665	CTL2	1518	1522	1523	1524	-0.18	
-1522	H71	SLES	1	10.5074	-12.7945	21.3523	HAL2	1521	0	0	0	0.09	
-1523	H72	SLES	1	11.8961	-11.6504	21.4069	HAL2	1521	0	0	0	0.09	
-1524	C8	SLES	1	10.0642	-10.8053	20.5756	CTL2	1521	1525	1526	1527	-0.18	
-1525	H81	SLES	1	8.99518	-10.7212	20.8781	HAL2	1524	0	0	0	0.09	
-1526	H82	SLES	1	10.5183	-9.78974	20.6305	HAL2	1524	0	0	0	0.09	
-1527	C9	SLES	1	10.138	-11.3146	19.1142	CTL2	1524	1528	1529	1530	-0.18	
-1528	H91	SLES	1	9.71072	-12.3419	19.0657	HAL2	1527	0	0	0	0.09	
-1529	H92	SLES	1	11.2056	-11.3717	18.8034	HAL2	1527	0	0	0	0.09	
-1530	C10	SLES	1	9.37272	-10.403	18.1259	CTL2	1527	1531	1532	1533	-0.18	
-1531	H10	SLES	1	8.29988	-10.3644	18.4231	HAL2	1530	0	0	0	0.09	
-1532	H10	SLES	1	9.78477	-9.3705	18.19	HAL2	1530	0	0	0	0.09	
-1533	C11	SLES	1	9.47458	-10.8993	16.6592	CTL2	1530	1534	1535	1536	-0.18	
-1534	H11	SLES	1	9.055	-11.9295	16.5991	HAL2	1533	0	0	0	0.09	
-1535	H11	SLES	1	10.5497	-10.9533	16.3727	HAL2	1533	0	0	0	0.09	
-1536	C12	SLES	1	8.73087	-9.99665	15.641	CTL3	1533	1537	1538	1539	-0.27	
-1537	H12	SLES	1	7.94997	-10.5803	15.1054	HAL3	1536	0	0	0	0.09	
-1538	H12	SLES	1	9.4451	-9.58925	14.8918	HAL3	1536	0	0	0	0.09	
-1539	H12	SLES	1	8.24145	-9.1458	16.1631	HAL3	1536	0	0	0	0.09	
-1540	NA	SLES	1	25.4616	-12.9291	33.7139	NA	0	0	0	0	1	
-1541	S	SLES	1	23.5431	-9.90063	34.4196	SL	1542	1543	1544	1545	1.33	
-1542	OS1	SLES	1	23.5502	-10.6944	32.9441	OSL	1541	1546	0	0	-0.28	
-1543	OS2	SLES	1	23.1006	-10.8685	35.4019	O2L	1541	0	0	0	-0.65	
-1544	OS3	SLES	1	24.9169	-9.5259	34.682	O2L	1541	0	0	0	-0.65	
-1545	OS4	SLES	1	22.6915	-8.72288	34.4663	O2L	1541	0	0	0	-0.65	
-1546	C2	SLES	1	22.5109	-10.12	32.044	CC32A	1542	1547	1548	1549	-0.11	
-1547	H2A	SLES	1	21.4989	-10.1497	32.5361	HCA2	1546	0	0	0	0.09	
-1548	H2B	SLES	1	22.779	-9.04896	31.8266	HCA2	1546	0	0	0	0.09	
-1549	C1	SLES	1	22.4722	-10.9559	30.6781	CC32A	1546	1550	1551	1552	-0.01	
-1550	H1B	SLES	1	22.2942	-12.0337	30.8981	HCA2	1549	0	0	0	0.09	
-1551	H1A	SLES	1	23.4452	-10.8543	30.1432	HCA2	1549	0	0	0	0.09	
-1552	O1	SLES	1	21.4567	-10.652	29.6513	OC30A	1549	1553	0	0	-0.34	
-1553	C2	SLES	1	20.8072	-9.36674	29.7463	CC32A	1552	1554	1555	1556	-0.01	
-1554	H2A	SLES	1	20.3227	-9.43198	30.7402	HCA2	1553	0	0	0	0.09	
-1555	H2B	SLES	1	21.6701	-8.66649	29.8132	HCA2	1553	0	0	0	0.09	
-1556	C1	SLES	1	19.7785	-8.83281	28.7004	CC32A	1553	1557	1558	1559	-0.01	
-1557	H1B	SLES	1	18.7495	-9.12504	29.0034	HCA2	1556	0	0	0	0.09	
-1558	H1A	SLES	1	19.8366	-7.72658	28.6618	HCA2	1556	0	0	0	0.09	
-1559	O1	SLES	1	19.7608	-9.26031	27.3005	OC30A	1556	1560	0	0	-0.34	
-1560	C1	SLES	1	19.2636	-8.25165	26.3469	CTL2	1559	1561	1562	1563	-0.18	
-1561	H11	SLES	1	18.8255	-7.42937	26.9411	HAL2	1560	0	0	0	0.09	
-1562	H12	SLES	1	20.2117	-7.89643	25.8927	HAL2	1560	0	0	0	0.09	
-1563	C2	SLES	1	18.2535	-8.68116	25.2105	CTL2	1560	1564	1565	1566	-0.18	
-1564	H21	SLES	1	18.0146	-9.76222	25.3247	HAL2	1563	0	0	0	0.09	
-1565	H22	SLES	1	18.7415	-8.54098	24.2212	HAL2	1563	0	0	0	0.09	
-1566	C3	SLES	1	16.8887	-7.83594	25.249	CTL2	1563	1567	1568	1569	-0.18	
-1567	H31	SLES	1	16.0847	-8.46778	25.6879	HAL2	1566	0	0	0	0.09	
-1568	H32	SLES	1	17.0272	-6.95582	25.9081	HAL2	1566	0	0	0	0.09	
-1569	C4	SLES	1	16.4272	-7.33832	23.8166	CTL2	1566	1570	1571	1572	-0.18	
-1570	H41	SLES	1	15.6075	-7.99364	23.4551	HAL2	1569	0	0	0	0.09	
-1571	H42	SLES	1	17.2774	-7.43044	23.1069	HAL2	1569	0	0	0	0.09	
-1572	C5	SLES	1	15.9212	-5.8255	23.8254	CTL2	1569	1573	1574	1575	-0.18	
-1573	H51	SLES	1	15.6853	-5.52759	24.8709	HAL2	1572	0	0	0	0.09	
-1574	H52	SLES	1	16.7411	-5.16665	23.4586	HAL2	1572	0	0	0	0.09	
-1575	C6	SLES	1	14.6443	-5.60026	22.931	CTL2	1572	1576	1577	1578	-0.18	
-1576	H61	SLES	1	13.7642	-6.06235	23.432	HAL2	1575	0	0	0	0.09	
-1577	H62	SLES	1	14.4528	-4.5053	22.8424	HAL2	1575	0	0	0	0.09	
-1578	C7	SLES	1	14.7927	-6.20758	21.5001	CTL2	1575	1579	1580	1581	-0.18	
-1579	H71	SLES	1	14.5796	-7.2986	21.5452	HAL2	1578	0	0	0	0.09	
-1580	H72	SLES	1	15.8429	-6.07656	21.1562	HAL2	1578	0	0	0	0.09	
-1581	C8	SLES	1	13.839	-5.55081	20.4712	CTL2	1578	1582	1583	1584	-0.18	
-1582	H81	SLES	1	12.8193	-5.47824	20.9143	HAL2	1581	0	0	0	0.09	
-1583	H82	SLES	1	14.194	-4.51772	20.2537	HAL2	1581	0	0	0	0.09	
-1584	C9	SLES	1	13.759	-6.34833	19.1453	CTL2	1581	1585	1586	1587	-0.18	
-1585	H91	SLES	1	13.4324	-7.38971	19.3671	HAL2	1584	0	0	0	0.09	
-1586	H92	SLES	1	14.7734	-6.39639	18.689	HAL2	1584	0	0	0	0.09	
-1587	C10	SLES	1	12.7778	-5.71796	18.1288	CTL2	1584	1588	1589	1590	-0.18	
-1588	H10	SLES	1	11.7581	-5.69115	18.5763	HAL2	1587	0	0	0	0.09	
-1589	H10	SLES	1	13.091	-4.66927	17.9234	HAL2	1587	0	0	0	0.09	
-1590	C11	SLES	1	12.7234	-6.50195	16.7907	CTL2	1587	1591	1592	1593	-0.18	
-1591	H11	SLES	1	12.4031	-7.54811	17.0007	HAL2	1590	0	0	0	0.09	
-1592	H11	SLES	1	13.7484	-6.54147	16.3562	HAL2	1590	0	0	0	0.09	
-1593	C12	SLES	1	11.7602	-5.8851	15.7437	CTL3	1590	1594	1595	1596	-0.27	
-1594	H12	SLES	1	10.9739	-6.61967	15.4619	HAL3	1593	0	0	0	0.09	
-1595	H12	SLES	1	12.3199	-5.59582	14.8269	HAL3	1593	0	0	0	0.09	
-1596	H12	SLES	1	11.2666	-4.97917	16.1581	HAL3	1593	0	0	0	0.09	
-1597	NA	SLES	1	35.8022	-2.18434	25.7976	NA	0	0	0	0	1	
-1598	S	SLES	1	33.7412	0.768073	26.4189	SL	1599	1600	1601	1602	1.33	
-1599	OS1	SLES	1	33.4375	-0.363386	25.221	OSL	1598	1603	0	0	-0.28	
-1600	OS2	SLES	1	33.7536	0.0424865	27.6722	O2L	1598	0	0	0	-0.65	
-1601	OS3	SLES	1	35.0596	1.30044	26.1452	O2L	1598	0	0	0	-0.65	
-1602	OS4	SLES	1	32.7737	1.85171	26.4835	O2L	1598	0	0	0	-0.65	
-1603	C2	SLES	1	32.1076	-0.111291	24.598	CC32A	1599	1604	1605	1606	-0.11	
-1604	H2A	SLES	1	31.2989	-0.0958529	25.3808	HCA2	1603	0	0	0	0.09	
-1605	H2B	SLES	1	32.1374	0.889903	24.0852	HCA2	1603	0	0	0	0.09	
-1606	C1	SLES	1	31.7989	-1.25975	23.5249	CC32A	1603	1607	1608	1609	-0.01	
-1607	H1B	SLES	1	31.856	-2.2599	24.013	HCA2	1606	0	0	0	0.09	
-1608	H1A	SLES	1	32.5476	-1.2194	22.6997	HCA2	1606	0	0	0	0.09	
-1609	O1	SLES	1	30.4951	-1.29844	22.8345	OC30A	1606	1610	0	0	-0.34	
-1610	C2	SLES	1	29.7166	-0.0835074	22.8569	CC32A	1609	1611	1612	1613	-0.01	
-1611	H2A	SLES	1	29.5576	0.0623772	23.9433	HCA2	1610	0	0	0	0.09	
-1612	H2B	SLES	1	30.4466	0.675615	22.4961	HCA2	1610	0	0	0	0.09	
-1613	C1	SLES	1	28.3603	0.0942148	22.1044	CC32A	1610	1614	1615	1616	-0.01	
-1614	H1B	SLES	1	27.5198	-0.192016	22.7734	HCA2	1613	0	0	0	0.09	
-1615	H1A	SLES	1	28.2384	1.15752	21.8161	HCA2	1613	0	0	0	0.09	
-1616	O1	SLES	1	28.0005	-0.666656	20.9067	OC30A	1613	1617	0	0	-0.34	
-1617	C1	SLES	1	27.1023	0.0332149	19.97	CTL2	1616	1618	1619	1620	-0.18	
-1618	H11	SLES	1	26.738	0.940877	20.4844	HAL2	1617	0	0	0	0.09	
-1619	H12	SLES	1	27.8129	0.336632	19.1736	HAL2	1617	0	0	0	0.09	
-1620	C2	SLES	1	25.8814	-0.740536	19.332	CTL2	1617	1621	1622	1623	-0.18	
-1621	H21	SLES	1	25.8507	-1.77472	19.7422	HAL2	1620	0	0	0	0.09	
-1622	H22	SLES	1	26.0339	-0.812638	18.2328	HAL2	1620	0	0	0	0.09	
-1623	C3	SLES	1	24.4764	-0.0194775	19.6226	CTL2	1620	1624	1625	1626	-0.18	
-1624	H31	SLES	1	23.9389	-0.582784	20.4176	HAL2	1623	0	0	0	0.09	
-1625	H32	SLES	1	24.6673	1.00439	20.0014	HAL2	1623	0	0	0	0.09	
-1626	C4	SLES	1	23.5492	0.0710401	18.3403	CTL2	1623	1627	1628	1629	-0.18	
-1627	H41	SLES	1	22.7675	-0.714336	18.4055	HAL2	1626	0	0	0	0.09	
-1628	H42	SLES	1	24.16	-0.128388	17.4335	HAL2	1626	0	0	0	0.09	
-1629	C5	SLES	1	22.8471	1.49546	18.1891	CTL2	1626	1630	1631	1632	-0.18	
-1630	H51	SLES	1	22.8837	2.02394	19.1673	HAL2	1629	0	0	0	0.09	
-1631	H52	SLES	1	23.4167	2.10392	17.45	HAL2	1629	0	0	0	0.09	
-1632	C6	SLES	1	21.3466	1.39347	17.7208	CTL2	1629	1633	1634	1635	-0.18	
-1633	H61	SLES	1	20.7298	1.00367	18.5615	HAL2	1632	0	0	0	0.09	
-1634	H62	SLES	1	20.976	2.41437	17.4681	HAL2	1632	0	0	0	0.09	
-1635	C7	SLES	1	21.1615	0.464015	16.4798	CTL2	1632	1636	1637	1638	-0.18	
-1636	H71	SLES	1	21.1366	-0.594905	16.8201	HAL2	1635	0	0	0	0.09	
-1637	H72	SLES	1	22.0343	0.586053	15.8003	HAL2	1635	0	0	0	0.09	
-1638	C8	SLES	1	19.8627	0.770338	15.6932	CTL2	1635	1639	1640	1641	-0.18	
-1639	H81	SLES	1	19.0172	0.871867	16.4116	HAL2	1638	0	0	0	0.09	
-1640	H82	SLES	1	19.9803	1.74153	15.1606	HAL2	1638	0	0	0	0.09	
-1641	C9	SLES	1	19.5209	-0.334343	14.6621	CTL2	1638	1642	1643	1644	-0.18	
-1642	H91	SLES	1	19.4327	-1.31029	15.1913	HAL2	1641	0	0	0	0.09	
-1643	H92	SLES	1	20.354	-0.415843	13.928	HAL2	1641	0	0	0	0.09	
-1644	C10	SLES	1	18.2037	-0.0525604	13.9012	CTL2	1641	1645	1646	1647	-0.18	
-1645	H10	SLES	1	17.3662	0.00582877	14.6333	HAL2	1644	0	0	0	0.09	
-1646	H10	SLES	1	18.2829	0.933459	13.3898	HAL2	1644	0	0	0	0.09	
-1647	C11	SLES	1	17.8804	-1.14523	12.8479	CTL2	1644	1648	1649	1650	-0.18	
-1648	H11	SLES	1	17.7955	-2.12824	13.3652	HAL2	1647	0	0	0	0.09	
-1649	H11	SLES	1	18.7286	-1.21228	12.1288	HAL2	1647	0	0	0	0.09	
-1650	C12	SLES	1	16.5734	-0.88269	12.0559	CTL3	1647	1651	1652	1653	-0.27	
-1651	H12	SLES	1	15.8583	-1.72229	12.201	HAL3	1650	0	0	0	0.09	
-1652	H12	SLES	1	16.7923	-0.787318	10.9695	HAL3	1650	0	0	0	0.09	
-1653	H12	SLES	1	16.0919	0.0569904	12.4042	HAL3	1650	0	0	0	0.09	
-1654	NA	SLES	1	34.3902	8.55811	26.3847	NA	0	0	0	0	1	
-1655	S	SLES	1	31.9733	11.293	26.2143	SL	1656	1657	1658	1659	1.33	
-1656	OS1	SLES	1	31.866	9.87797	25.3235	OSL	1655	1660	0	0	-0.28	
-1657	OS2	SLES	1	32.0022	10.8975	27.6072	O2L	1655	0	0	0	-0.65	
-1658	OS3	SLES	1	33.2345	11.9038	25.8497	O2L	1655	0	0	0	-0.65	
-1659	OS4	SLES	1	30.8856	12.2313	25.9884	O2L	1655	0	0	0	-0.65	
-1660	C2	SLES	1	30.551	9.80527	24.6265	CC32A	1656	1661	1662	1663	-0.11	
-1661	H2A	SLES	1	29.7053	9.9077	25.3623	HCA2	1660	0	0	0	0.09	
-1662	H2B	SLES	1	30.4928	10.6495	23.8847	HCA2	1660	0	0	0	0.09	
-1663	C1	SLES	1	30.434	8.40323	23.8607	CC32A	1660	1664	1665	1666	-0.01	
-1664	H1B	SLES	1	30.5797	7.56494	24.5803	HCA2	1663	0	0	0	0.09	
-1665	H1A	SLES	1	31.216	8.33687	23.0687	HCA2	1663	0	0	0	0.09	
-1666	O1	SLES	1	29.182	8.03766	23.1703	OC30A	1663	1667	0	0	-0.34	
-1667	C2	SLES	1	28.2689	9.11566	22.8757	CC32A	1666	1668	1669	1670	-0.01	
-1668	H2A	SLES	1	28.0365	9.49754	23.8891	HCA2	1667	0	0	0	0.09	
-1669	H2B	SLES	1	28.9249	9.85055	22.3571	HCA2	1667	0	0	0	0.09	
-1670	C1	SLES	1	26.9432	8.93694	22.0707	CC32A	1667	1671	1672	1673	-0.01	
-1671	H1B	SLES	1	26.1067	8.71764	22.7695	HCA2	1670	0	0	0	0.09	
-1672	H1A	SLES	1	26.7154	9.87602	21.5277	HCA2	1670	0	0	0	0.09	
-1673	O1	SLES	1	26.7375	7.87169	21.088	OC30A	1670	1674	0	0	-0.34	
-1674	C1	SLES	1	25.816	8.20834	19.9873	CTL2	1673	1675	1676	1677	-0.18	
-1675	H11	SLES	1	25.3229	9.16044	20.2548	HAL2	1674	0	0	0	0.09	
-1676	H12	SLES	1	26.5284	8.39739	19.1579	HAL2	1674	0	0	0	0.09	
-1677	C2	SLES	1	24.728	7.15807	19.5298	CTL2	1674	1678	1679	1680	-0.18	
-1678	H21	SLES	1	24.7945	6.25736	20.1802	HAL2	1677	0	0	0	0.09	
-1679	H22	SLES	1	24.946	6.84333	18.4857	HAL2	1677	0	0	0	0.09	
-1680	C3	SLES	1	23.2359	7.74716	19.6015	CTL2	1677	1681	1682	1683	-0.18	
-1681	H31	SLES	1	22.7251	7.32914	20.4974	HAL2	1680	0	0	0	0.09	
-1682	H32	SLES	1	23.2873	8.84762	19.7221	HAL2	1680	0	0	0	0.09	
-1683	C4	SLES	1	22.3741	7.4105	18.3145	CTL2	1680	1684	1685	1686	-0.18	
-1684	H41	SLES	1	21.6855	6.57284	18.5519	HAL2	1683	0	0	0	0.09	
-1685	H42	SLES	1	23.0512	7.07652	17.499	HAL2	1683	0	0	0	0.09	
-1686	C5	SLES	1	21.5219	8.65795	17.8022	CTL2	1683	1687	1688	1689	-0.18	
-1687	H51	SLES	1	21.4453	9.40645	18.6216	HAL2	1686	0	0	0	0.09	
-1688	H52	SLES	1	22.0563	9.13684	16.9501	HAL2	1686	0	0	0	0.09	
-1689	C6	SLES	1	20.0701	8.26034	17.3379	CTL2	1686	1690	1691	1692	-0.18	
-1690	H61	SLES	1	19.4584	8.01046	18.2337	HAL2	1689	0	0	0	0.09	
-1691	H62	SLES	1	19.5986	9.13618	16.8339	HAL2	1689	0	0	0	0.09	
-1692	C7	SLES	1	20.0596	7.04414	16.3586	CTL2	1689	1693	1694	1695	-0.18	
-1693	H71	SLES	1	20.1385	6.10352	16.9475	HAL2	1692	0	0	0	0.09	
-1694	H72	SLES	1	20.9475	7.1069	15.6908	HAL2	1692	0	0	0	0.09	
-1695	C8	SLES	1	18.7779	6.98816	15.4904	CTL2	1692	1696	1697	1698	-0.18	
-1696	H81	SLES	1	17.8892	7.15338	16.1418	HAL2	1695	0	0	0	0.09	
-1697	H82	SLES	1	18.8113	7.80966	14.739	HAL2	1695	0	0	0	0.09	
-1698	C9	SLES	1	18.6208	5.63425	14.7538	CTL2	1695	1699	1700	1701	-0.18	
-1699	H91	SLES	1	18.6173	4.81105	15.5039	HAL2	1698	0	0	0	0.09	
-1700	H92	SLES	1	19.4957	5.483	14.082	HAL2	1698	0	0	0	0.09	
-1701	C10	SLES	1	17.3223	5.55855	13.9162	CTL2	1698	1702	1703	1704	-0.18	
-1702	H10	SLES	1	16.4459	5.68654	14.5916	HAL2	1701	0	0	0	0.09	
-1703	H10	SLES	1	17.3148	6.39462	13.1807	HAL2	1701	0	0	0	0.09	
-1704	C11	SLES	1	17.1835	4.21316	13.1555	CTL2	1701	1705	1706	1707	-0.18	
-1705	H11	SLES	1	17.1846	3.3807	13.8959	HAL2	1704	0	0	0	0.09	
-1706	H11	SLES	1	18.0708	4.08129	12.495	HAL2	1704	0	0	0	0.09	
-1707	C12	SLES	1	15.8989	4.11273	12.2927	CTL3	1704	1708	1709	1710	-0.27	
-1708	H12	SLES	1	15.2784	3.25036	12.6223	HAL3	1707	0	0	0	0.09	
-1709	H12	SLES	1	16.163	3.97054	11.2215	HAL3	1707	0	0	0	0.09	
-1710	H12	SLES	1	15.2947	5.04109	12.3884	HAL3	1707	0	0	0	0.09	
-1711	NA	SLES	1	29.7049	18.4324	27.0175	NA	0	0	0	0	1	
-1712	S	SLES	1	27.0489	20.7248	25.9972	SL	1713	1714	1715	1716	1.33	
-1713	OS1	SLES	1	27.2062	19.1514	25.4429	OSL	1712	1717	0	0	-0.28	
-1714	OS2	SLES	1	26.9458	20.6413	27.4394	O2L	1712	0	0	0	-0.65	
-1715	OS3	SLES	1	28.2729	21.4056	25.6298	O2L	1712	0	0	0	-0.65	
-1716	OS4	SLES	1	25.9036	21.4415	25.4595	O2L	1712	0	0	0	-0.65	
-1717	C2	SLES	1	26.0041	18.7593	24.6546	CC32A	1713	1718	1719	1720	-0.11	
-1718	H2A	SLES	1	25.067	18.9028	25.2615	HCA2	1717	0	0	0	0.09	
-1719	H2B	SLES	1	25.9488	19.4115	23.7393	HCA2	1717	0	0	0	0.09	
-1720	C1	SLES	1	26.1348	17.2238	24.2175	CC32A	1717	1721	1722	1723	-0.01	
-1721	H1B	SLES	1	26.2785	16.5841	25.1186	HCA2	1720	0	0	0	0.09	
-1722	H1A	SLES	1	27.0122	17.0948	23.5418	HCA2	1720	0	0	0	0.09	
-1723	O1	SLES	1	25.0254	16.5578	23.508	OC30A	1720	1724	0	0	-0.34	
-1724	C2	SLES	1	24.0459	17.4183	22.8892	CC32A	1723	1725	1726	1727	-0.01	
-1725	H2A	SLES	1	23.6491	17.9724	23.7624	HCA2	1724	0	0	0	0.09	
-1726	H2B	SLES	1	24.679	18.1065	22.2852	HCA2	1724	0	0	0	0.09	
-1727	C1	SLES	1	22.8581	16.8991	22.0192	CC32A	1724	1728	1729	1730	-0.01	
-1728	H1B	SLES	1	21.9692	16.7245	22.6638	HCA2	1727	0	0	0	0.09	
-1729	H1A	SLES	1	22.6005	17.663	21.2585	HCA2	1727	0	0	0	0.09	
-1730	O1	SLES	1	22.8923	15.632	21.2872	OC30A	1727	1731	0	0	-0.34	
-1731	C1	SLES	1	22.0848	15.6025	20.0539	CTL2	1730	1732	1733	1734	-0.18	
-1732	H11	SLES	1	21.4629	16.5159	20.0496	HAL2	1731	0	0	0	0.09	
-1733	H12	SLES	1	22.8709	15.7037	19.2773	HAL2	1731	0	0	0	0.09	
-1734	C2	SLES	1	21.1815	14.3447	19.7407	CTL2	1731	1735	1736	1737	-0.18	
-1735	H21	SLES	1	21.2625	13.6194	20.5811	HAL2	1734	0	0	0	0.09	
-1736	H22	SLES	1	21.5609	13.8472	18.8214	HAL2	1734	0	0	0	0.09	
-1737	C3	SLES	1	19.6377	14.733	19.5306	CTL2	1734	1738	1739	1740	-0.18	
-1738	H31	SLES	1	19.0667	14.4509	20.4431	HAL2	1737	0	0	0	0.09	
-1739	H32	SLES	1	19.5553	15.8309	19.404	HAL2	1737	0	0	0	0.09	
-1740	C4	SLES	1	18.9846	14.02	18.2747	CTL2	1737	1741	1742	1743	-0.18	
-1741	H41	SLES	1	18.3656	13.1682	18.6262	HAL2	1740	0	0	0	0.09	
-1742	H42	SLES	1	19.7902	13.613	17.6262	HAL2	1740	0	0	0	0.09	
-1743	C5	SLES	1	18.0743	15.0064	17.4127	CTL2	1740	1744	1745	1746	-0.18	
-1744	H51	SLES	1	17.816	15.8949	18.0302	HAL2	1743	0	0	0	0.09	
-1745	H52	SLES	1	18.6564	15.3599	16.5312	HAL2	1743	0	0	0	0.09	
-1746	C6	SLES	1	16.743	14.3309	16.9098	CTL2	1743	1747	1748	1749	-0.18	
-1747	H61	SLES	1	16.0544	14.1982	17.7743	HAL2	1746	0	0	0	0.09	
-1748	H62	SLES	1	16.2469	15.0097	16.1772	HAL2	1746	0	0	0	0.09	
-1749	C7	SLES	1	16.9854	12.9441	16.2343	CTL2	1746	1750	1751	1752	-0.18	
-1750	H71	SLES	1	17.0906	12.1688	17.0253	HAL2	1749	0	0	0	0.09	
-1751	H72	SLES	1	17.938	12.9806	15.6602	HAL2	1749	0	0	0	0.09	
-1752	C8	SLES	1	15.8358	12.5362	15.2796	CTL2	1749	1753	1754	1755	-0.18	
-1753	H81	SLES	1	14.8601	12.717	15.7864	HAL2	1752	0	0	0	0.09	
-1754	H82	SLES	1	15.8745	13.1766	14.3691	HAL2	1752	0	0	0	0.09	
-1755	C9	SLES	1	15.9182	11.0482	14.8561	CTL2	1752	1756	1757	1758	-0.18	
-1756	H91	SLES	1	15.9093	10.4099	15.7687	HAL2	1755	0	0	0	0.09	
-1757	H92	SLES	1	16.8812	10.8749	14.3251	HAL2	1755	0	0	0	0.09	
-1758	C10	SLES	1	14.7502	10.6255	13.9338	CTL2	1755	1759	1760	1761	-0.18	
-1759	H10	SLES	1	13.7876	10.7769	14.4734	HAL2	1758	0	0	0	0.09	
-1760	H10	SLES	1	14.745	11.2779	13.0314	HAL2	1758	0	0	0	0.09	
-1761	C11	SLES	1	14.8526	9.14306	13.4868	CTL2	1758	1762	1763	1764	-0.18	
-1762	H11	SLES	1	14.8506	8.49432	14.3924	HAL2	1761	0	0	0	0.09	
-1763	H11	SLES	1	15.8245	8.99251	12.9636	HAL2	1761	0	0	0	0.09	
-1764	C12	SLES	1	13.7043	8.69288	12.547	CTL3	1761	1765	1766	1767	-0.27	
-1765	H12	SLES	1	13.1436	7.84581	13.0003	HAL3	1764	0	0	0	0.09	
-1766	H12	SLES	1	14.1138	8.36278	11.5669	HAL3	1764	0	0	0	0.09	
-1767	H12	SLES	1	12.9967	9.53219	12.3708	HAL3	1764	0	0	0	0.09	
-1768	NA	SLES	1	22.1238	26.4382	27.634	NA	0	0	0	0	1	
-1769	S	SLES	1	19.4771	28.153	25.7888	SL	1770	1771	1772	1773	1.33	
-1770	OS1	SLES	1	19.8973	26.5462	25.5675	OSL	1769	1774	0	0	-0.28	
-1771	OS2	SLES	1	19.1191	28.2928	27.1851	O2L	1769	0	0	0	-0.65	
-1772	OS3	SLES	1	20.67	28.9238	25.5069	O2L	1769	0	0	0	-0.65	
-1773	OS4	SLES	1	18.3823	28.6109	24.9485	O2L	1769	0	0	0	-0.65	
-1774	C2	SLES	1	18.9088	25.8718	24.6795	CC32A	1770	1775	1776	1777	-0.11	
-1775	H2A	SLES	1	17.8661	25.9845	25.0884	HCA2	1774	0	0	0	0.09	
-1776	H2B	SLES	1	18.9555	26.3523	23.6631	HCA2	1774	0	0	0	0.09	
-1777	C1	SLES	1	19.2773	24.3175	24.5605	CC32A	1774	1778	1779	1780	-0.01	
-1778	H1B	SLES	1	19.3183	23.8588	25.5753	HCA2	1777	0	0	0	0.09	
-1779	H1A	SLES	1	20.2729	24.1997	24.0726	HCA2	1777	0	0	0	0.09	
-1780	O1	SLES	1	18.3935	23.4008	23.8146	OC30A	1777	1781	0	0	-0.34	
-1781	C2	SLES	1	17.4606	24.0085	22.8963	CC32A	1780	1782	1783	1784	-0.01	
-1782	H2A	SLES	1	16.8539	24.6389	23.5756	HCA2	1781	0	0	0	0.09	
-1783	H2B	SLES	1	18.1189	24.668	22.2872	HCA2	1781	0	0	0	0.09	
-1784	C1	SLES	1	16.5144	23.1986	21.955	CC32A	1781	1785	1786	1787	-0.01	
-1785	H1B	SLES	1	15.5451	23.013	22.4668	HCA2	1784	0	0	0	0.09	
-1786	H1A	SLES	1	16.3233	23.7861	21.0347	HCA2	1784	0	0	0	0.09	
-1787	O1	SLES	1	16.8151	21.8453	21.4848	OC30A	1784	1788	0	0	-0.34	
-1788	C1	SLES	1	16.2565	21.5061	20.1631	CTL2	1787	1789	1790	1791	-0.18	
-1789	H11	SLES	1	15.5542	22.314	19.8889	HAL2	1788	0	0	0	0.09	
-1790	H12	SLES	1	17.1574	21.5845	19.52	HAL2	1788	0	0	0	0.09	
-1791	C2	SLES	1	15.5627	20.1036	19.9441	CTL2	1788	1792	1793	1794	-0.18	
-1792	H21	SLES	1	15.5625	19.5429	20.9056	HAL2	1791	0	0	0	0.09	
-1793	H22	SLES	1	16.1549	19.5186	19.2068	HAL2	1791	0	0	0	0.09	
-1794	C3	SLES	1	14.0522	20.2402	19.4169	CTL2	1791	1795	1796	1797	-0.18	
-1795	H31	SLES	1	13.3553	20.0362	20.2601	HAL2	1794	0	0	0	0.09	
-1796	H32	SLES	1	13.8804	21.2814	19.0782	HAL2	1794	0	0	0	0.09	
-1797	C4	SLES	1	13.7199	19.2501	18.2246	CTL2	1794	1798	1799	1800	-0.18	
-1798	H41	SLES	1	13.1391	18.3915	18.6213	HAL2	1797	0	0	0	0.09	
-1799	H42	SLES	1	14.6693	18.8554	17.8026	HAL2	1797	0	0	0	0.09	
-1800	C5	SLES	1	12.8863	19.9504	17.0586	CTL2	1797	1801	1802	1803	-0.18	
-1801	H51	SLES	1	12.4274	20.8846	17.4511	HAL2	1800	0	0	0	0.09	
-1802	H52	SLES	1	13.581	20.2307	16.2341	HAL2	1800	0	0	0	0.09	
-1803	C6	SLES	1	11.7485	19.0283	16.4785	CTL2	1800	1804	1805	1806	-0.18	
-1804	H61	SLES	1	10.93	18.9467	17.2285	HAL2	1803	0	0	0	0.09	
-1805	H62	SLES	1	11.328	19.505	15.5623	HAL2	1803	0	0	0	0.09	
-1806	C7	SLES	1	12.2548	17.5955	16.1192	CTL2	1803	1807	1808	1809	-0.18	
-1807	H71	SLES	1	12.2926	16.9811	17.0459	HAL2	1806	0	0	0	0.09	
-1808	H72	SLES	1	13.2878	17.6661	15.7115	HAL2	1806	0	0	0	0.09	
-1809	C8	SLES	1	11.3499	16.8857	15.0815	CTL2	1806	1810	1811	1812	-0.18	
-1810	H81	SLES	1	10.2841	17.0132	15.38	HAL2	1809	0	0	0	0.09	
-1811	H82	SLES	1	11.4888	17.3681	14.0872	HAL2	1809	0	0	0	0.09	
-1812	C9	SLES	1	11.6638	15.3735	14.9589	CTL2	1809	1813	1814	1815	-0.18	
-1813	H91	SLES	1	11.5534	14.8974	15.9596	HAL2	1812	0	0	0	0.09	
-1814	H92	SLES	1	12.721	15.2475	14.6334	HAL2	1812	0	0	0	0.09	
-1815	C10	SLES	1	10.7366	14.6519	13.9523	CTL2	1812	1816	1817	1818	-0.18	
-1816	H10	SLES	1	9.68046	14.7579	14.2903	HAL2	1815	0	0	0	0.09	
-1817	H10	SLES	1	10.8298	15.1415	12.9565	HAL2	1815	0	0	0	0.09	
-1818	C11	SLES	1	11.0738	13.144	13.8092	CTL2	1815	1819	1820	1821	-0.18	
-1819	H11	SLES	1	10.9724	12.6576	14.8063	HAL2	1818	0	0	0	0.09	
-1820	H11	SLES	1	12.1358	13.0429	13.4886	HAL2	1818	0	0	0	0.09	
-1821	C12	SLES	1	10.1718	12.3955	12.794	CTL3	1818	1822	1823	1824	-0.27	
-1822	H12	SLES	1	9.6286	11.5659	13.298	HAL3	1821	0	0	0	0.09	
-1823	H12	SLES	1	10.7873	11.9683	11.9718	HAL3	1821	0	0	0	0.09	
-1824	H12	SLES	1	9.42525	13.0914	12.3529	HAL3	1821	0	0	0	0.09	
-1825	NA	SLES	1	12.3435	31.7167	28.1739	NA	0	0	0	0	1	
-1826	S	SLES	1	10.0136	32.8769	25.6095	SL	1827	1828	1829	1830	1.33	
-1827	OS1	SLES	1	10.6428	31.3258	25.685	OSL	1826	1831	0	0	-0.28	
-1828	OS2	SLES	1	9.33658	33.1047	26.8694	O2L	1826	0	0	0	-0.65	
-1829	OS3	SLES	1	11.1496	33.7672	25.4932	O2L	1826	0	0	0	-0.65	
-1830	OS4	SLES	1	9.09419	33.1012	24.5056	O2L	1826	0	0	0	-0.65	
-1831	C2	SLES	1	9.95859	30.4427	24.6989	CC32A	1827	1832	1833	1834	-0.11	
-1832	H2A	SLES	1	8.84454	30.4562	24.8598	HCA2	1831	0	0	0	0.09	
-1833	H2B	SLES	1	10.1819	30.8231	23.6637	HCA2	1831	0	0	0	0.09	
-1834	C1	SLES	1	10.509	28.9467	24.8561	CC32A	1831	1835	1836	1837	-0.01	
-1835	H1B	SLES	1	10.3687	28.5994	25.9056	HCA2	1834	0	0	0	0.09	
-1836	H1A	SLES	1	11.5958	28.9142	24.6092	HCA2	1834	0	0	0	0.09	
-1837	O1	SLES	1	9.92008	27.8524	24.06	OC30A	1834	1838	0	0	-0.34	
-1838	C2	SLES	1	9.15905	28.2382	22.8962	CC32A	1837	1839	1840	1841	-0.01	
-1839	H2A	SLES	1	8.35061	28.8466	23.347	HCA2	1838	0	0	0	0.09	
-1840	H2B	SLES	1	9.86325	28.916	22.3631	HCA2	1838	0	0	0	0.09	
-1841	C1	SLES	1	8.5424	27.2218	21.8842	CC32A	1838	1842	1843	1844	-0.01	
-1842	H1B	SLES	1	7.50815	26.961	22.1978	HCA2	1841	0	0	0	0.09	
-1843	H1A	SLES	1	8.50213	27.6857	20.8783	HCA2	1841	0	0	0	0.09	
-1844	O1	SLES	1	9.08492	25.8806	21.6615	OC30A	1841	1845	0	0	-0.34	
-1845	C1	SLES	1	8.87896	25.3423	20.3043	CTL2	1844	1846	1847	1848	-0.18	
-1846	H11	SLES	1	8.17418	26.0194	19.7886	HAL2	1845	0	0	0	0.09	
-1847	H12	SLES	1	9.88808	25.4756	19.8625	HAL2	1845	0	0	0	0.09	
-1848	C2	SLES	1	8.40713	23.8458	20.1202	CTL2	1845	1849	1850	1851	-0.18	
-1849	H21	SLES	1	8.24995	23.3872	21.1221	HAL2	1848	0	0	0	0.09	
-1850	H22	SLES	1	9.2098	23.2746	19.6043	HAL2	1848	0	0	0	0.09	
-1851	C3	SLES	1	7.04899	23.729	19.2715	CTL2	1848	1852	1853	1854	-0.18	
-1852	H31	SLES	1	6.20569	23.5185	19.9663	HAL2	1851	0	0	0	0.09	
-1853	H32	SLES	1	6.84748	24.7	18.7767	HAL2	1851	0	0	0	0.09	
-1854	C4	SLES	1	7.10284	22.5914	18.1691	CTL2	1851	1855	1856	1857	-0.18	
-1855	H41	SLES	1	6.54292	21.7066	18.5377	HAL2	1854	0	0	0	0.09	
-1856	H42	SLES	1	8.15966	22.2861	18.011	HAL2	1854	0	0	0	0.09	
-1857	C5	SLES	1	6.48393	23.0574	16.7746	CTL2	1854	1858	1859	1860	-0.18	
-1858	H51	SLES	1	5.85066	23.9567	16.9408	HAL2	1857	0	0	0	0.09	
-1859	H52	SLES	1	7.31268	23.3446	16.0879	HAL2	1857	0	0	0	0.09	
-1860	C6	SLES	1	5.61219	21.9404	16.0862	CTL2	1857	1861	1862	1863	-0.18	
-1861	H61	SLES	1	4.65906	21.8254	16.6496	HAL2	1860	0	0	0	0.09	
-1862	H62	SLES	1	5.36083	22.265	15.0494	HAL2	1860	0	0	0	0.09	
-1863	C7	SLES	1	6.33722	20.5589	16.0245	CTL2	1860	1864	1865	1866	-0.18	
-1864	H71	SLES	1	6.23043	20.0489	17.0074	HAL2	1863	0	0	0	0.09	
-1865	H72	SLES	1	7.42193	20.725	15.8397	HAL2	1863	0	0	0	0.09	
-1866	C8	SLES	1	5.77162	19.6371	14.9154	CTL2	1863	1867	1868	1869	-0.18	
-1867	H81	SLES	1	4.65853	19.6513	14.9626	HAL2	1866	0	0	0	0.09	
-1868	H82	SLES	1	6.07896	20.0336	13.9209	HAL2	1866	0	0	0	0.09	
-1869	C9	SLES	1	6.26543	18.175	15.0521	CTL2	1866	1870	1871	1872	-0.18	
-1870	H91	SLES	1	5.98359	17.7892	16.0581	HAL2	1869	0	0	0	0.09	
-1871	H92	SLES	1	7.37609	18.1586	14.9769	HAL2	1869	0	0	0	0.09	
-1872	C10	SLES	1	5.67242	17.2419	13.97	CTL2	1869	1873	1874	1875	-0.18	
-1873	H10	SLES	1	4.56218	17.24	14.0602	HAL2	1872	0	0	0	0.09	
-1874	H10	SLES	1	5.93511	17.6393	12.9635	HAL2	1872	0	0	0	0.09	
-1875	C11	SLES	1	6.19303	15.7851	14.0913	CTL2	1872	1876	1877	1878	-0.18	
-1876	H11	SLES	1	5.92186	15.3899	15.097	HAL2	1875	0	0	0	0.09	
-1877	H11	SLES	1	7.30458	15.7942	14.0186	HAL2	1875	0	0	0	0.09	
-1878	C12	SLES	1	5.62928	14.8278	13.0095	CTL3	1875	1879	1880	1881	-0.27	
-1879	H12	SLES	1	5.07852	13.9872	13.4864	HAL3	1878	0	0	0	0.09	
-1880	H12	SLES	1	6.45675	14.407	12.3967	HAL3	1878	0	0	0	0.09	
-1881	H12	SLES	1	4.93142	15.3722	12.3366	HAL3	1878	0	0	0	0.09	
-1882	NA	SLES	1	1.32835	33.6638	28.5844	NA	0	0	0	0	1	
-1883	S	SLES	1	-0.419184	34.4639	25.477	SL	1884	1885	1886	1887	1.33	
-1884	OS1	SLES	1	0.346336	33.0055	25.784	OSL	1883	1888	0	0	-0.28	
-1885	OS2	SLES	1	-1.40597	34.6353	26.5231	O2L	1883	0	0	0	-0.65	
-1886	OS3	SLES	1	0.600528	35.4857	25.5899	O2L	1883	0	0	0	-0.65	
-1887	OS4	SLES	1	-1.05939	34.5459	24.1739	O2L	1883	0	0	0	-0.65	
-1888	C2	SLES	1	0.0309875	32.021	24.7109	CC32A	1884	1889	1890	1891	-0.11	
-1889	H2A	SLES	1	-1.08243	31.8995	24.5981	HCA2	1888	0	0	0	0.09	
-1890	H2B	SLES	1	0.455982	32.4016	23.7409	HCA2	1888	0	0	0	0.09	
-1891	C1	SLES	1	0.694373	30.6093	25.0752	CC32A	1888	1892	1893	1894	-0.01	
-1892	H1B	SLES	1	0.341925	30.2721	26.0771	HCA2	1891	0	0	0	0.09	
-1893	H1A	SLES	1	1.80483	30.7065	25.099	HCA2	1891	0	0	0	0.09	
-1894	O1	SLES	1	0.448382	29.4317	24.2204	OC30A	1891	1895	0	0	-0.34	
-1895	C2	SLES	1	-0.0432398	29.6921	22.8888	CC32A	1894	1896	1897	1898	-0.01	
-1896	H2A	SLES	1	-1.00194	30.2055	23.0989	HCA2	1895	0	0	0	0.09	
-1897	H2B	SLES	1	0.687401	30.4394	22.5054	HCA2	1895	0	0	0	0.09	
-1898	C1	SLES	1	-0.271905	28.5832	21.8139	CC32A	1895	1899	1900	1901	-0.01	
-1899	H1B	SLES	1	-1.31438	28.2031	21.883	HCA2	1898	0	0	0	0.09	
-1900	H1A	SLES	1	-0.117396	29.0145	20.8046	HCA2	1898	0	0	0	0.09	
-1901	O1	SLES	1	0.459182	27.3151	21.7999	OC30A	1898	1902	0	0	-0.34	
-1902	C1	SLES	1	0.655529	26.7234	20.4637	CTL2	1901	1903	1904	1905	-0.18	
-1903	H11	SLES	1	0.0256561	27.2951	19.7583	HAL2	1902	0	0	0	0.09	
-1904	H12	SLES	1	1.71994	26.9708	20.2711	HAL2	1902	0	0	0	0.09	
-1905	C2	SLES	1	0.418546	25.1758	20.2515	CTL2	1902	1906	1907	1908	-0.18	
-1906	H21	SLES	1	0.0743478	24.7251	21.2092	HAL2	1905	0	0	0	0.09	
-1907	H22	SLES	1	1.38337	24.697	19.975	HAL2	1905	0	0	0	0.09	
-1908	C3	SLES	1	-0.667353	24.8708	19.1086	CTL2	1905	1909	1910	1911	-0.18	
-1909	H31	SLES	1	-1.6253	24.5735	19.5905	HAL2	1908	0	0	0	0.09	
-1910	H32	SLES	1	-0.851682	25.7972	18.5289	HAL2	1908	0	0	0	0.09	
-1911	C4	SLES	1	-0.214457	23.723	18.1138	CTL2	1908	1912	1913	1914	-0.18	
-1912	H41	SLES	1	-0.7421	22.7844	18.3835	HAL2	1911	0	0	0	0.09	
-1913	H42	SLES	1	0.876737	23.5481	18.2309	HAL2	1911	0	0	0	0.09	
-1914	C5	SLES	1	-0.521962	24.0753	16.5886	CTL2	1911	1915	1916	1917	-0.18	
-1915	H51	SLES	1	-1.27573	24.8924	16.5495	HAL2	1914	0	0	0	0.09	
-1916	H52	SLES	1	0.411157	24.4471	16.107	HAL2	1914	0	0	0	0.09	
-1917	C6	SLES	1	-1.06393	22.8425	15.7713	CTL2	1914	1918	1919	1920	-0.18	
-1918	H61	SLES	1	-2.10634	22.6231	16.0942	HAL2	1917	0	0	0	0.09	
-1919	H62	SLES	1	-1.08904	23.1087	14.6887	HAL2	1917	0	0	0	0.09	
-1920	C7	SLES	1	-0.191986	21.5609	15.9594	CTL2	1917	1921	1922	1923	-0.18	
-1921	H71	SLES	1	-0.477143	21.065	16.9136	HAL2	1920	0	0	0	0.09	
-1922	H72	SLES	1	0.878391	21.8564	16.0323	HAL2	1920	0	0	0	0.09	
-1923	C8	SLES	1	-0.35857	20.55	14.7975	CTL2	1920	1924	1925	1926	-0.18	
-1924	H81	SLES	1	-1.44328	20.4265	14.5749	HAL2	1923	0	0	0	0.09	
-1925	H82	SLES	1	0.135495	20.958	13.8865	HAL2	1923	0	0	0	0.09	
-1926	C9	SLES	1	0.251377	19.1643	15.1268	CTL2	1923	1927	1928	1929	-0.18	
-1927	H91	SLES	1	-0.222203	18.7703	16.0545	HAL2	1926	0	0	0	0.09	
-1928	H92	SLES	1	1.34089	19.2846	15.3217	HAL2	1926	0	0	0	0.09	
-1929	C10	SLES	1	0.0531101	18.1393	13.9851	CTL2	1926	1930	1931	1932	-0.18	
-1930	H10	SLES	1	-1.03754	18.0014	13.8056	HAL2	1929	0	0	0	0.09	
-1931	H10	SLES	1	0.507048	18.5425	13.0515	HAL2	1929	0	0	0	0.09	
-1932	C11	SLES	1	0.692018	16.762	14.3055	CTL2	1929	1933	1934	1935	-0.18	
-1933	H11	SLES	1	0.229882	16.3599	15.236	HAL2	1932	0	0	0	0.09	
-1934	H11	SLES	1	1.77883	16.9077	14.5018	HAL2	1932	0	0	0	0.09	
-1935	C12	SLES	1	0.524628	15.7167	13.1724	CTL3	1932	1936	1937	1938	-0.27	
-1936	H12	SLES	1	-0.0258133	14.8255	13.5469	HAL3	1935	0	0	0	0.09	
-1937	H12	SLES	1	1.51981	15.3878	12.7998	HAL3	1935	0	0	0	0.09	
-1938	H12	SLES	1	-0.0447754	16.1538	12.3234	HAL3	1935	0	0	0	0.09	
-1939	NA	SLES	1	-9.78602	32.0222	28.8253	NA	0	0	0	0	1	
-1940	S	SLES	1	-10.8207	32.7805	25.404	SL	1941	1942	1943	1944	1.33	
-1941	OS1	SLES	1	-9.97599	31.4055	25.8548	OSL	1940	1945	0	0	-0.28	
-1942	OS2	SLES	1	-12.0435	32.7813	26.18	O2L	1940	0	0	0	-0.65	
-1943	OS3	SLES	1	-9.99342	33.9053	25.7877	O2L	1940	0	0	0	-0.65	
-1944	OS4	SLES	1	-11.1338	32.8576	23.9861	O2L	1940	0	0	0	-0.65	
-1945	C2	SLES	1	-9.89893	30.4499	24.7141	CC32A	1941	1946	1947	1948	-0.11	
-1946	H2A	SLES	1	-10.9285	30.2073	24.3291	HCA2	1945	0	0	0	0.09	
-1947	H2B	SLES	1	-9.30396	30.9279	23.8873	HCA2	1945	0	0	0	0.09	
-1948	C1	SLES	1	-9.17218	29.1064	25.1965	CC32A	1945	1949	1950	1951	-0.01	
-1949	H1B	SLES	1	-9.71042	28.678	26.0732	HCA2	1948	0	0	0	0.09	
-1950	H1A	SLES	1	-8.12104	29.3293	25.4941	HCA2	1948	0	0	0	0.09	
-1951	O1	SLES	1	-9.05682	27.9556	24.2799	OC30A	1948	1952	0	0	-0.34	
-1952	C2	SLES	1	-9.2423	28.2283	22.875	CC32A	1951	1953	1954	1955	-0.01	
-1953	H2A	SLES	1	-10.2796	28.6162	22.8557	HCA2	1952	0	0	0	0.09	
-1954	H2B	SLES	1	-8.53981	29.074	22.7002	HCA2	1952	0	0	0	0.09	
-1955	C1	SLES	1	-9.06589	27.1593	21.7509	CC32A	1952	1956	1957	1958	-0.01	
-1956	H1B	SLES	1	-10.0387	26.6587	21.5533	HCA2	1955	0	0	0	0.09	
-1957	H1A	SLES	1	-8.72815	27.6587	20.8208	HCA2	1955	0	0	0	0.09	
-1958	O1	SLES	1	-8.20086	25.9862	21.8866	OC30A	1955	1959	0	0	-0.34	
-1959	C1	SLES	1	-7.61688	25.4931	20.6257	CTL2	1958	1960	1961	1962	-0.18	
-1960	H11	SLES	1	-8.12478	26.0253	19.8012	HAL2	1959	0	0	0	0.09	
-1961	H12	SLES	1	-6.57671	25.8711	20.7058	HAL2	1959	0	0	0	0.09	
-1962	C2	SLES	1	-7.60131	23.942	20.3254	CTL2	1959	1963	1964	1965	-0.18	
-1963	H21	SLES	1	-8.10681	23.4043	21.1585	HAL2	1962	0	0	0	0.09	
-1964	H22	SLES	1	-6.54643	23.5928	20.2826	HAL2	1962	0	0	0	0.09	
-1965	C3	SLES	1	-8.33383	23.5755	18.9442	CTL2	1962	1966	1967	1968	-0.18	
-1966	H31	SLES	1	-9.33486	23.1448	19.1694	HAL2	1965	0	0	0	0.09	
-1967	H32	SLES	1	-8.48721	24.5041	18.3591	HAL2	1965	0	0	0	0.09	
-1968	C4	SLES	1	-7.51573	22.5421	18.064	CTL2	1965	1969	1970	1971	-0.18	
-1969	H41	SLES	1	-7.97167	21.536	18.1738	HAL2	1968	0	0	0	0.09	
-1970	H42	SLES	1	-6.4717	22.4878	18.4409	HAL2	1968	0	0	0	0.09	
-1971	C5	SLES	1	-7.48885	22.9373	16.5187	CTL2	1968	1972	1973	1974	-0.18	
-1972	H51	SLES	1	-8.30679	23.6633	16.3153	HAL2	1971	0	0	0	0.09	
-1973	H52	SLES	1	-6.52109	23.4392	16.2895	HAL2	1971	0	0	0	0.09	
-1974	C6	SLES	1	-7.66055	21.6958	15.5645	CTL2	1971	1975	1976	1977	-0.18	
-1975	H61	SLES	1	-8.71434	21.341	15.6168	HAL2	1974	0	0	0	0.09	
-1976	H62	SLES	1	-7.45754	22.0146	14.5154	HAL2	1974	0	0	0	0.09	
-1977	C7	SLES	1	-6.70685	20.5147	15.9303	CTL2	1974	1978	1979	1980	-0.18	
-1978	H71	SLES	1	-7.14906	19.9391	16.7735	HAL2	1977	0	0	0	0.09	
-1979	H72	SLES	1	-5.73078	20.927	16.2704	HAL2	1977	0	0	0	0.09	
-1980	C8	SLES	1	-6.46197	19.5547	14.7395	CTL2	1977	1981	1982	1983	-0.18	
-1981	H81	SLES	1	-7.43725	19.3194	14.2549	HAL2	1980	0	0	0	0.09	
-1982	H82	SLES	1	-5.81809	20.0648	13.9873	HAL2	1980	0	0	0	0.09	
-1983	C9	SLES	1	-5.78146	18.2328	15.1754	CTL2	1980	1984	1985	1986	-0.18	
-1984	H91	SLES	1	-6.41139	17.7381	15.9492	HAL2	1983	0	0	0	0.09	
-1985	H92	SLES	1	-4.79451	18.467	15.6343	HAL2	1983	0	0	0	0.09	
-1986	C10	SLES	1	-5.57017	17.2541	13.996	CTL2	1983	1987	1988	1989	-0.18	
-1987	H10	SLES	1	-6.55974	17.0014	13.5514	HAL2	1986	0	0	0	0.09	
-1988	H10	SLES	1	-4.9589	17.7559	13.2121	HAL2	1986	0	0	0	0.09	
-1989	C11	SLES	1	-4.8607	15.9443	14.4307	CTL2	1986	1990	1991	1992	-0.18	
-1990	H11	SLES	1	-5.47927	15.4427	15.2097	HAL2	1989	0	0	0	0.09	
-1991	H11	SLES	1	-3.87983	16.2033	14.8908	HAL2	1989	0	0	0	0.09	
-1992	C12	SLES	1	-4.61923	14.9485	13.2668	CTL3	1989	1993	1994	1995	-0.27	
-1993	H12	SLES	1	-5.12822	13.9813	13.4737	HAL3	1992	0	0	0	0.09	
-1994	H12	SLES	1	-3.53069	14.7565	13.1419	HAL3	1992	0	0	0	0.09	
-1995	H12	SLES	1	-5.01763	15.3619	12.3147	HAL3	1992	0	0	0	0.09	
-1996	NA	SLES	1	-19.8263	26.9325	28.8729	NA	0	0	0	0	1	
-1997	S	SLES	1	-20.2022	27.997	25.3979	SL	1998	1999	2000	2001	1.33	
-1998	OS1	SLES	1	-19.2982	26.675	25.8905	OSL	1997	2002	0	0	-0.28	
-1999	OS2	SLES	1	-21.551	27.7697	25.8739	O2L	1997	0	0	0	-0.65	
-2000	OS3	SLES	1	-19.6313	29.1472	26.067	O2L	1997	0	0	0	-0.65	
-2001	OS4	SLES	1	-20.2147	28.2167	23.9605	O2L	1997	0	0	0	-0.65	
-2002	C2	SLES	1	-18.8552	25.8833	24.7084	CC32A	1998	2003	2004	2005	-0.11	
-2003	H2A	SLES	1	-19.7383	25.5817	24.0789	HCA2	2002	0	0	0	0.09	
-2004	H2B	SLES	1	-18.1668	26.522	24.0884	HCA2	2002	0	0	0	0.09	
-2005	C1	SLES	1	-18.0763	24.5759	25.2081	CC32A	2002	2006	2007	2008	-0.01	
-2006	H1B	SLES	1	-18.7269	23.986	25.8942	HCA2	2005	0	0	0	0.09	
-2007	H1A	SLES	1	-17.1512	24.8713	25.7559	HCA2	2005	0	0	0	0.09	
-2008	O1	SLES	1	-17.6179	23.5677	24.2327	OC30A	2005	2009	0	0	-0.34	
-2009	C2	SLES	1	-17.5354	23.9924	22.856	CC32A	2008	2010	2011	2012	-0.01	
-2010	H2A	SLES	1	-18.5869	24.2661	22.6411	HCA2	2009	0	0	0	0.09	
-2011	H2B	SLES	1	-16.9299	24.9238	22.9283	HCA2	2009	0	0	0	0.09	
-2012	C1	SLES	1	-16.9847	23.0974	21.7014	CC32A	2009	2013	2014	2015	-0.01	
-2013	H1B	SLES	1	-17.8185	22.524	21.241	HCA2	2012	0	0	0	0.09	
-2014	H1A	SLES	1	-16.5263	23.7425	20.9253	HCA2	2012	0	0	0	0.09	
-2015	O1	SLES	1	-16.0209	22.0162	21.913	OC30A	2012	2016	0	0	-0.34	
-2016	C1	SLES	1	-15.1226	21.75	20.7745	CTL2	2015	2017	2018	2019	-0.18	
-2017	H11	SLES	1	-15.5098	22.3236	19.9129	HAL2	2016	0	0	0	0.09	
-2018	H12	SLES	1	-14.1825	22.2244	21.1241	HAL2	2016	0	0	0	0.09	
-2019	C2	SLES	1	-14.8388	20.2593	20.3345	CTL2	2016	2020	2021	2022	-0.18	
-2020	H21	SLES	1	-15.4339	19.5706	20.975	HAL2	2019	0	0	0	0.09	
-2021	H22	SLES	1	-13.7621	20.0334	20.497	HAL2	2019	0	0	0	0.09	
-2022	C3	SLES	1	-15.2064	19.9919	18.7945	CTL2	2019	2023	2024	2025	-0.18	
-2023	H31	SLES	1	-16.1665	19.4315	18.7443	HAL2	2022	0	0	0	0.09	
-2024	H32	SLES	1	-15.3535	20.9645	18.2839	HAL2	2022	0	0	0	0.09	
-2025	C4	SLES	1	-14.0909	19.1703	18.0245	CTL2	2022	2026	2027	2028	-0.18	
-2026	H41	SLES	1	-14.4226	18.1153	17.9292	HAL2	2025	0	0	0	0.09	
-2027	H42	SLES	1	-13.1528	19.1816	18.6203	HAL2	2025	0	0	0	0.09	
-2028	C5	SLES	1	-13.7892	19.7562	16.5718	CTL2	2025	2029	2030	2031	-0.18	
-2029	H51	SLES	1	-14.6339	20.4099	16.2613	HAL2	2028	0	0	0	0.09	
-2030	H52	SLES	1	-12.8698	20.3836	16.6175	HAL2	2028	0	0	0	0.09	
-2031	C6	SLES	1	-13.5888	18.6324	15.4863	CTL2	2028	2032	2033	2034	-0.18	
-2032	H61	SLES	1	-14.5733	18.1629	15.264	HAL2	2031	0	0	0	0.09	
-2033	H62	SLES	1	-13.2117	19.0998	14.5467	HAL2	2031	0	0	0	0.09	
-2034	C7	SLES	1	-12.5868	17.5241	15.9401	CTL2	2031	2035	2036	2037	-0.18	
-2035	H71	SLES	1	-13.1179	16.8036	16.6009	HAL2	2034	0	0	0	0.09	
-2036	H72	SLES	1	-11.7685	17.9929	16.5307	HAL2	2034	0	0	0	0.09	
-2037	C8	SLES	1	-11.9701	16.7522	14.7471	CTL2	2034	2038	2039	2040	-0.18	
-2038	H81	SLES	1	-12.7804	16.4761	14.0339	HAL2	2037	0	0	0	0.09	
-2039	H82	SLES	1	-11.2545	17.4185	14.2136	HAL2	2037	0	0	0	0.09	
-2040	C9	SLES	1	-11.229	15.467	15.1933	CTL2	2037	2041	2042	2043	-0.18	
-2041	H91	SLES	1	-11.9377	14.8147	15.7524	HAL2	2040	0	0	0	0.09	
-2042	H92	SLES	1	-10.4017	15.7465	15.884	HAL2	2040	0	0	0	0.09	
-2043	C10	SLES	1	-10.6447	14.6717	14.0019	CTL2	2040	2044	2045	2046	-0.18	
-2044	H10	SLES	1	-11.4751	14.3718	13.3226	HAL2	2043	0	0	0	0.09	
-2045	H10	SLES	1	-9.9528	15.3302	13.4294	HAL2	2043	0	0	0	0.09	
-2046	C11	SLES	1	-9.87683	13.4015	14.4546	CTL2	2043	2047	2048	2049	-0.18	
-2047	H11	SLES	1	-10.5748	12.7431	15.0207	HAL2	2046	0	0	0	0.09	
-2048	H11	SLES	1	-9.05902	13.7047	15.1476	HAL2	2046	0	0	0	0.09	
-2049	C12	SLES	1	-9.26437	12.5907	13.2833	CTL3	2046	2050	2051	2052	-0.27	
-2050	H12	SLES	1	-9.67325	11.5563	13.2739	HAL3	2049	0	0	0	0.09	
-2051	H12	SLES	1	-8.15853	12.5338	13.3893	HAL3	2049	0	0	0	0.09	
-2052	H12	SLES	1	-9.5027	13.0747	12.3112	HAL3	2049	0	0	0	0.09	
-2053	NA	SLES	1	-27.7285	18.9267	28.7226	NA	0	0	0	0	1	
-2054	S	SLES	1	-27.6726	20.5688	25.4591	SL	2055	2056	2057	2058	1.33	
-2055	OS1	SLES	1	-26.6909	19.2803	25.8875	OSL	2054	2059	0	0	-0.28	
-2056	OS2	SLES	1	-29.0377	20.1181	25.6346	O2L	2054	0	0	0	-0.65	
-2057	OS3	SLES	1	-27.3794	21.629	26.4007	O2L	2054	0	0	0	-0.65	
-2058	OS4	SLES	1	-27.4798	21.0473	24.0995	O2L	2054	0	0	0	-0.65	
-2059	C2	SLES	1	-25.958	18.7708	24.6943	CC32A	2055	2060	2061	2062	-0.11	
-2060	H2A	SLES	1	-26.6775	18.5001	23.8721	HCA2	2059	0	0	0	0.09	
-2061	H2B	SLES	1	-25.2704	19.5812	24.3246	HCA2	2059	0	0	0	0.09	
-2062	C1	SLES	1	-25.1016	17.4822	25.1089	CC32A	2059	2063	2064	2065	-0.01	
-2063	H1B	SLES	1	-25.7697	16.7113	25.5575	HCA2	2062	0	0	0	0.09	
-2064	H1A	SLES	1	-24.3269	17.7664	25.8586	HCA2	2062	0	0	0	0.09	
-2065	O1	SLES	1	-24.3582	16.7246	24.0835	OC30A	2062	2066	0	0	-0.34	
-2066	C2	SLES	1	-24.1102	17.4022	22.8337	CC32A	2065	2067	2068	2069	-0.01	
-2067	H2A	SLES	1	-25.1398	17.5996	22.4762	HCA2	2066	0	0	0	0.09	
-2068	H2B	SLES	1	-23.6562	18.3623	23.1676	HCA2	2066	0	0	0	0.09	
-2069	C1	SLES	1	-23.2627	16.798	21.6702	CC32A	2066	2070	2071	2072	-0.01	
-2070	H1B	SLES	1	-23.9249	16.2355	20.9766	HCA2	2069	0	0	0	0.09	
-2071	H1A	SLES	1	-22.7752	17.6194	21.1078	HCA2	2069	0	0	0	0.09	
-2072	O1	SLES	1	-22.2091	15.8028	21.8766	OC30A	2069	2073	0	0	-0.34	
-2073	C1	SLES	1	-21.1095	15.8464	20.8953	CTL2	2072	2074	2075	2076	-0.18	
-2074	H11	SLES	1	-21.4247	16.5255	20.0825	HAL2	2073	0	0	0	0.09	
-2075	H12	SLES	1	-20.3119	16.3437	21.4851	HAL2	2073	0	0	0	0.09	
-2076	C2	SLES	1	-20.5588	14.5004	20.278	CTL2	2073	2077	2078	2079	-0.18	
-2077	H21	SLES	1	-21.1519	13.6471	20.6765	HAL2	2076	0	0	0	0.09	
-2078	H22	SLES	1	-19.5026	14.3619	20.5971	HAL2	2076	0	0	0	0.09	
-2079	C3	SLES	1	-20.6306	14.4847	18.6739	CTL2	2076	2080	2081	2082	-0.18	
-2080	H31	SLES	1	-21.485	13.8461	18.3567	HAL2	2079	0	0	0	0.09	
-2081	H32	SLES	1	-20.8224	15.514	18.3107	HAL2	2079	0	0	0	0.09	
-2082	C4	SLES	1	-19.3037	13.9402	17.9994	CTL2	2079	2083	2084	2085	-0.18	
-2083	H41	SLES	1	-19.4698	12.8921	17.6736	HAL2	2082	0	0	0	0.09	
-2084	H42	SLES	1	-18.4857	13.9392	18.7517	HAL2	2082	0	0	0	0.09	
-2085	C5	SLES	1	-18.8509	14.8122	16.7427	CTL2	2082	2086	2087	2088	-0.18	
-2086	H51	SLES	1	-19.7141	15.4202	16.3926	HAL2	2085	0	0	0	0.09	
-2087	H52	SLES	1	-18.0447	15.5129	17.059	HAL2	2085	0	0	0	0.09	
-2088	C6	SLES	1	-18.326	13.9351	15.5441	CTL2	2085	2089	2090	2091	-0.18	
-2089	H61	SLES	1	-19.1884	13.4145	15.0705	HAL2	2088	0	0	0	0.09	
-2090	H62	SLES	1	-17.8672	14.6044	14.7793	HAL2	2088	0	0	0	0.09	
-2091	C7	SLES	1	-17.2711	12.8727	15.9879	CTL2	2088	2092	2093	2094	-0.18	
-2092	H71	SLES	1	-17.8005	11.9913	16.4128	HAL2	2091	0	0	0	0.09	
-2093	H72	SLES	1	-16.631	13.3074	16.7877	HAL2	2091	0	0	0	0.09	
-2094	C8	SLES	1	-16.3693	12.4028	14.8193	CTL2	2091	2095	2096	2097	-0.18	
-2095	H81	SLES	1	-17.0075	12.18	13.9337	HAL2	2094	0	0	0	0.09	
-2096	H82	SLES	1	-15.6729	13.227	14.543	HAL2	2094	0	0	0	0.09	
-2097	C9	SLES	1	-15.5441	11.1418	15.1788	CTL2	2094	2098	2099	2100	-0.18	
-2098	H91	SLES	1	-16.2399	10.3272	15.4834	HAL2	2097	0	0	0	0.09	
-2099	H92	SLES	1	-14.8862	11.3738	16.0464	HAL2	2097	0	0	0	0.09	
-2100	C10	SLES	1	-14.6712	10.6453	14.002	CTL2	2097	2101	2102	2103	-0.18	
-2101	H10	SLES	1	-15.3313	10.3909	13.1416	HAL2	2100	0	0	0	0.09	
-2102	H10	SLES	1	-13.9906	11.4666	13.6823	HAL2	2100	0	0	0	0.09	
-2103	C11	SLES	1	-13.823	9.40056	14.3751	CTL2	2100	2104	2105	2106	-0.18	
-2104	H11	SLES	1	-14.5085	8.57986	14.6875	HAL2	2103	0	0	0	0.09	
-2105	H11	SLES	1	-13.1779	9.6544	15.247	HAL2	2103	0	0	0	0.09	
-2106	C12	SLES	1	-12.9237	8.88809	13.2205	CTL3	2103	2107	2108	2109	-0.27	
-2107	H12	SLES	1	-13.182	7.83621	12.9671	HAL3	2106	0	0	0	0.09	
-2108	H12	SLES	1	-11.8526	8.92828	13.5178	HAL3	2106	0	0	0	0.09	
-2109	H12	SLES	1	-13.0633	9.51553	12.3133	HAL3	2106	0	0	0	0.09	
-2110	NA	SLES	1	-32.6737	8.86359	28.3892	NA	0	0	0	0	1	
-2111	S	SLES	1	-32.515	11.1966	25.5817	SL	2112	2113	2114	2115	1.33	
-2112	OS1	SLES	1	-31.4185	9.95762	25.8461	OSL	2111	2116	0	0	-0.28	
-2113	OS2	SLES	1	-33.8191	10.5742	25.4855	O2L	2111	0	0	0	-0.65	
-2114	OS3	SLES	1	-32.4584	12.0419	26.7559	O2L	2111	0	0	0	-0.65	
-2115	OS4	SLES	1	-32.2546	11.9876	24.3897	O2L	2111	0	0	0	-0.65	
-2116	C2	SLES	1	-30.511	9.8124	24.6732	CC32A	2112	2117	2118	2119	-0.11	
-2117	H2A	SLES	1	-31.1041	9.65878	23.7289	HCA2	2116	0	0	0	0.09	
-2118	H2B	SLES	1	-29.9036	10.7543	24.5728	HCA2	2116	0	0	0	0.09	
-2119	C1	SLES	1	-29.5367	8.56292	24.9085	CC32A	2116	2120	2121	2122	-0.01	
-2120	H1B	SLES	1	-30.1378	7.64357	25.0963	HCA2	2119	0	0	0	0.09	
-2121	H1A	SLES	1	-28.8837	8.75191	25.7923	HCA2	2119	0	0	0	0.09	
-2122	O1	SLES	1	-28.6025	8.14077	23.8469	OC30A	2119	2123	0	0	-0.34	
-2123	C2	SLES	1	-28.3247	9.10571	22.8104	CC32A	2122	2124	2125	2126	-0.01	
-2124	H2A	SLES	1	-29.3313	9.26713	22.3771	HCA2	2123	0	0	0	0.09	
-2125	H2B	SLES	1	-28.0366	10.0086	23.3944	HCA2	2123	0	0	0	0.09	
-2126	C1	SLES	1	-27.2946	8.87441	21.6604	CC32A	2123	2127	2128	2129	-0.01	
-2127	H1B	SLES	1	-27.8052	8.41538	20.786	HCA2	2126	0	0	0	0.09	
-2128	H1A	SLES	1	-26.8671	9.84902	21.3506	HCA2	2126	0	0	0	0.09	
-2129	O1	SLES	1	-26.1441	7.97729	21.7809	OC30A	2126	2130	0	0	-0.34	
-2130	C1	SLES	1	-24.9689	8.35909	20.9766	CTL2	2129	2131	2132	2133	-0.18	
-2131	H11	SLES	1	-25.2897	9.16634	20.2935	HAL2	2130	0	0	0	0.09	
-2132	H12	SLES	1	-24.3058	8.79292	21.7534	HAL2	2130	0	0	0	0.09	
-2133	C2	SLES	1	-24.1871	7.25432	20.1614	CTL2	2130	2134	2135	2136	-0.18	
-2134	H21	SLES	1	-24.6985	6.27446	20.2924	HAL2	2133	0	0	0	0.09	
-2135	H22	SLES	1	-23.1584	7.16146	20.5733	HAL2	2133	0	0	0	0.09	
-2136	C3	SLES	1	-24.0983	7.59369	18.5944	CTL2	2133	2137	2138	2139	-0.18	
-2137	H31	SLES	1	-24.8254	6.95537	18.0447	HAL2	2136	0	0	0	0.09	
-2138	H32	SLES	1	-24.3879	8.65177	18.4369	HAL2	2136	0	0	0	0.09	
-2139	C4	SLES	1	-22.6512	7.36118	17.9909	CTL2	2136	2140	2141	2142	-0.18	
-2140	H41	SLES	1	-22.6445	6.40218	17.432	HAL2	2139	0	0	0	0.09	
-2141	H42	SLES	1	-21.9182	7.27813	18.8221	HAL2	2139	0	0	0	0.09	
-2142	C5	SLES	1	-22.1964	8.53791	17.0146	CTL2	2139	2143	2144	2145	-0.18	
-2143	H51	SLES	1	-23.0939	9.11308	16.6964	HAL2	2142	0	0	0	0.09	
-2144	H52	SLES	1	-21.5249	9.23139	17.5706	HAL2	2142	0	0	0	0.09	
-2145	C6	SLES	1	-21.445	8.01567	15.7324	CTL2	2142	2146	2147	2148	-0.18	
-2146	H61	SLES	1	-22.1803	7.52608	15.0551	HAL2	2145	0	0	0	0.09	
-2147	H62	SLES	1	-21.0059	8.88574	15.1905	HAL2	2145	0	0	0	0.09	
-2148	C7	SLES	1	-20.3077	6.99999	16.0689	CTL2	2145	2149	2150	2151	-0.18	
-2149	H71	SLES	1	-20.7551	5.9938	16.2274	HAL2	2148	0	0	0	0.09	
-2150	H72	SLES	1	-19.8124	7.3089	17.0163	HAL2	2148	0	0	0	0.09	
-2151	C8	SLES	1	-19.2413	6.9057	14.9493	CTL2	2148	2152	2153	2154	-0.18	
-2152	H81	SLES	1	-19.7543	6.82148	13.9638	HAL2	2151	0	0	0	0.09	
-2153	H82	SLES	1	-18.6362	7.84082	14.9434	HAL2	2151	0	0	0	0.09	
-2154	C9	SLES	1	-18.296	5.69206	15.1331	CTL2	2151	2155	2156	2157	-0.18	
-2155	H91	SLES	1	-18.9045	4.75995	15.1686	HAL2	2154	0	0	0	0.09	
-2156	H92	SLES	1	-17.7629	5.79136	16.1055	HAL2	2154	0	0	0	0.09	
-2157	C10	SLES	1	-17.2537	5.57076	13.9963	CTL2	2154	2158	2159	2160	-0.18	
-2158	H10	SLES	1	-17.7866	5.44794	13.0259	HAL2	2157	0	0	0	0.09	
-2159	H10	SLES	1	-16.6595	6.51122	13.9458	HAL2	2157	0	0	0	0.09	
-2160	C11	SLES	1	-16.2892	4.3723	14.1998	CTL2	2157	2161	2162	2163	-0.18	
-2161	H11	SLES	1	-16.8876	3.43356	14.2428	HAL2	2160	0	0	0	0.09	
-2162	H11	SLES	1	-15.7721	4.49036	15.1794	HAL2	2160	0	0	0	0.09	
-2163	C12	SLES	1	-15.221	4.23337	13.0844	CTL3	2160	2164	2165	2166	-0.27	
-2164	H12	SLES	1	-15.3118	3.24442	12.5833	HAL3	2163	0	0	0	0.09	
-2165	H12	SLES	1	-14.199	4.32004	13.515	HAL3	2163	0	0	0	0.09	
-2166	H12	SLES	1	-15.3526	5.03079	12.3209	HAL3	2163	0	0	0	0.09	
-2167	NA	SLES	1	-34.1849	-2.18434	27.9053	NA	0	0	0	0	1	
-2168	S	SLES	1	-34.2515	0.768073	25.7537	SL	2169	2170	2171	2172	1.33	
-2169	OS1	SLES	1	-33.0158	-0.363386	25.7705	OSL	2168	2173	0	0	-0.28	
-2170	OS2	SLES	1	-35.4654	0.0424865	25.4413	O2L	2168	0	0	0	-0.65	
-2171	OS3	SLES	1	-34.3284	1.30044	27.0981	O2L	2168	0	0	0	-0.65	
-2172	OS4	SLES	1	-34.0635	1.85171	24.8025	O2L	2168	0	0	0	-0.65	
-2173	C2	SLES	1	-32.0699	-0.111291	24.6471	CC32A	2169	2174	2175	2176	-0.11	
-2174	H2A	SLES	1	-32.6168	-0.0958529	23.6634	HCA2	2173	0	0	0	0.09	
-2175	H2B	SLES	1	-31.5823	0.889903	24.8087	HCA2	2173	0	0	0	0.09	
-2176	C1	SLES	1	-30.9534	-1.25975	24.6267	CC32A	2173	2177	2178	2179	-0.01	
-2177	H1B	SLES	1	-31.4397	-2.2599	24.5555	HCA2	2176	0	0	0	0.09	
-2178	H1A	SLES	1	-30.3502	-1.2194	25.5634	HCA2	2176	0	0	0	0.09	
-2179	O1	SLES	1	-29.9492	-1.29844	23.546	OC30A	2176	2180	0	0	-0.34	
-2180	C2	SLES	1	-29.7693	-0.0835074	22.7882	CC32A	2179	2181	2182	2183	-0.01	
-2181	H2A	SLES	1	-30.7775	0.0623772	22.3535	HCA2	2180	0	0	0	0.09	
-2182	H2B	SLES	1	-29.6097	0.675615	23.5868	HCA2	2180	0	0	0	0.09	
-2183	C1	SLES	1	-28.6914	0.0942148	21.6729	CC32A	2180	2184	2185	2186	-0.01	
-2184	H1B	SLES	1	-29.1201	-0.192016	20.6879	HCA2	2183	0	0	0	0.09	
-2185	H1A	SLES	1	-28.3814	1.15752	21.6298	HCA2	2183	0	0	0	0.09	
-2186	O1	SLES	1	-27.4414	-0.666656	21.6353	OC30A	2183	2187	0	0	-0.34	
-2187	C1	SLES	1	-26.3041	0.0332149	21.0101	CTL2	2186	2188	2189	2190	-0.18	
-2188	H11	SLES	1	-26.7067	0.940877	20.5251	HAL2	2187	0	0	0	0.09	
-2189	H12	SLES	1	-25.7188	0.336632	21.9027	HAL2	2187	0	0	0	0.09	
-2190	C2	SLES	1	-25.3718	-0.740536	19.9961	CTL2	2187	2191	2192	2193	-0.18	
-2191	H21	SLES	1	-25.7602	-1.77472	19.8602	HAL2	2190	0	0	0	0.09	
-2192	H22	SLES	1	-24.3496	-0.812638	20.4278	HAL2	2190	0	0	0	0.09	
-2193	C3	SLES	1	-25.2889	-0.0194775	18.5637	CTL2	2190	2194	2195	2196	-0.18	
-2194	H31	SLES	1	-25.9177	-0.582784	17.8387	HAL2	2193	0	0	0	0.09	
-2195	H32	SLES	1	-25.7042	1.00439	18.65	HAL2	2193	0	0	0	0.09	
-2196	C4	SLES	1	-23.8103	0.0710401	18	CTL2	2193	2197	2198	2199	-0.18	
-2197	H41	SLES	1	-23.6711	-0.714336	17.228	HAL2	2196	0	0	0	0.09	
-2198	H42	SLES	1	-23.0925	-0.128388	18.8246	HAL2	2196	0	0	0	0.09	
-2199	C5	SLES	1	-23.4826	1.49546	17.3609	CTL2	2196	2200	2201	2202	-0.18	
-2200	H51	SLES	1	-24.4369	2.02394	17.1431	HAL2	2199	0	0	0	0.09	
-2201	H52	SLES	1	-22.9161	2.10392	18.1024	HAL2	2199	0	0	0	0.09	
-2202	C6	SLES	1	-22.6419	1.39347	16.0327	CTL2	2199	2203	2204	2205	-0.18	
-2203	H61	SLES	1	-23.2943	1.00367	15.2194	HAL2	2202	0	0	0	0.09	
-2204	H62	SLES	1	-22.3019	2.41437	15.7401	HAL2	2202	0	0	0	0.09	
-2205	C7	SLES	1	-21.3953	0.464015	16.1752	CTL2	2202	2206	2207	2208	-0.18	
-2206	H71	SLES	1	-21.7176	-0.594905	16.0631	HAL2	2205	0	0	0	0.09	
-2207	H72	SLES	1	-20.9649	0.586053	17.1941	HAL2	2205	0	0	0	0.09	
-2208	C8	SLES	1	-20.2993	0.770338	15.1242	CTL2	2205	2209	2210	2211	-0.18	
-2209	H81	SLES	1	-20.7744	0.871867	14.1215	HAL2	2208	0	0	0	0.09	
-2210	H82	SLES	1	-19.8154	1.74153	15.3756	HAL2	2208	0	0	0	0.09	
-2211	C9	SLES	1	-19.2149	-0.334343	15.0609	CTL2	2208	2212	2213	2214	-0.18	
-2212	H91	SLES	1	-19.7032	-1.31029	14.8387	HAL2	2211	0	0	0	0.09	
-2213	H92	SLES	1	-18.7214	-0.415843	16.0556	HAL2	2211	0	0	0	0.09	
-2214	C10	SLES	1	-18.139	-0.0525604	13.9855	CTL2	2211	2215	2216	2217	-0.18	
-2215	H10	SLES	1	-18.6294	0.00582877	12.9871	HAL2	2214	0	0	0	0.09	
-2216	H10	SLES	1	-17.6655	0.933459	14.1944	HAL2	2214	0	0	0	0.09	
-2217	C11	SLES	1	-17.0379	-1.14523	13.9459	CTL2	2214	2218	2219	2220	-0.18	
-2218	H11	SLES	1	-17.5156	-2.12824	13.7299	HAL2	2217	0	0	0	0.09	
-2219	H11	SLES	1	-16.5628	-1.21228	14.9513	HAL2	2217	0	0	0	0.09	
-2220	C12	SLES	1	-15.9346	-0.88269	12.8883	CTL3	2217	2221	2222	2223	-0.27	
-2221	H12	SLES	1	-15.8897	-1.72229	12.1601	HAL3	2220	0	0	0	0.09	
-2222	H12	SLES	1	-14.9419	-0.787318	13.381	HAL3	2220	0	0	0	0.09	
-2223	H12	SLES	1	-16.1464	0.0569904	12.3331	HAL3	2220	0	0	0	0.09	
-2224	NA	SLES	1	-32.1714	-13.0691	27.3182	NA	0	0	0	0	1	
-2225	S	SLES	1	-32.6916	-9.71787	25.9583	SL	2226	2227	2228	2229	1.33	
-2226	OS1	SLES	1	-31.3349	-10.6572	25.668	OSL	2225	2230	0	0	-0.28	
-2227	OS2	SLES	1	-33.8289	-10.4924	25.5064	O2L	2225	0	0	0	-0.65	
-2228	OS3	SLES	1	-32.7575	-9.53823	27.3936	O2L	2225	0	0	0	-0.65	
-2229	OS4	SLES	1	-32.6804	-8.42257	25.2976	O2L	2225	0	0	0	-0.65	
-2230	C2	SLES	1	-30.4854	-10.0267	24.6187	CC32A	2226	2231	2232	2233	-0.11	
-2231	H2A	SLES	1	-31.0821	-9.84332	23.6819	HCA2	2230	0	0	0	0.09	
-2232	H2B	SLES	1	-30.1082	-9.04101	25.0091	HCA2	2230	0	0	0	0.09	
-2233	C1	SLES	1	-29.247	-10.9883	24.2908	CC32A	2230	2234	2235	2236	-0.01	
-2234	H1B	SLES	1	-29.6181	-11.9945	23.9882	HCA2	2233	0	0	0	0.09	
-2235	H1A	SLES	1	-28.6033	-11.0996	25.1944	HCA2	2233	0	0	0	0.09	
-2236	O1	SLES	1	-28.3039	-10.6406	23.2102	OC30A	2233	2237	0	0	-0.34	
-2237	C2	SLES	1	-28.3055	-9.26649	22.7695	CC32A	2236	2238	2239	2240	-0.01	
-2238	H2A	SLES	1	-29.3456	-9.14704	22.4077	HCA2	2237	0	0	0	0.09	
-2239	H2B	SLES	1	-28.192	-8.70788	23.7257	HCA2	2237	0	0	0	0.09	
-2240	C1	SLES	1	-27.3162	-8.69302	21.7066	CC32A	2237	2241	2242	2243	-0.01	
-2241	H1B	SLES	1	-27.7611	-8.78506	20.6919	HCA2	2240	0	0	0	0.09	
-2242	H1A	SLES	1	-27.1333	-7.62046	21.9181	HCA2	2240	0	0	0	0.09	
-2243	O1	SLES	1	-25.9908	-9.26079	21.454	OC30A	2240	2244	0	0	-0.34	
-2244	C1	SLES	1	-24.9765	-8.29514	20.9928	CTL2	2243	2245	2246	2247	-0.18	
-2245	H11	SLES	1	-25.5061	-7.35489	20.7548	HAL2	2244	0	0	0	0.09	
-2246	H12	SLES	1	-24.3832	-8.14481	21.9184	HAL2	2244	0	0	0	0.09	
-2247	C2	SLES	1	-24.0168	-8.68006	19.7983	CTL2	2244	2248	2249	2250	-0.18	
-2248	H21	SLES	1	-24.2903	-9.69129	19.4222	HAL2	2247	0	0	0	0.09	
-2249	H22	SLES	1	-22.9715	-8.72602	20.1749	HAL2	2247	0	0	0	0.09	
-2250	C3	SLES	1	-24.0938	-7.63119	18.5848	CTL2	2247	2251	2252	2253	-0.18	
-2251	H31	SLES	1	-24.6913	-8.0774	17.7589	HAL2	2250	0	0	0	0.09	
-2252	H32	SLES	1	-24.6189	-6.71804	18.9293	HAL2	2250	0	0	0	0.09	
-2253	C4	SLES	1	-22.6676	-7.22441	18.0257	CTL2	2250	2254	2255	2256	-0.18	
-2254	H41	SLES	1	-22.4802	-7.77748	17.0817	HAL2	2253	0	0	0	0.09	
-2255	H42	SLES	1	-21.8887	-7.52532	18.7591	HAL2	2253	0	0	0	0.09	
-2256	C5	SLES	1	-22.5403	-5.65873	17.7478	CTL2	2253	2257	2258	2259	-0.18	
-2257	H51	SLES	1	-23.5593	-5.21643	17.6888	HAL2	2256	0	0	0	0.09	
-2258	H52	SLES	1	-22.0088	-5.18076	18.6022	HAL2	2256	0	0	0	0.09	
-2259	C6	SLES	1	-21.7654	-5.33285	16.4156	CTL2	2256	2260	2261	2262	-0.18	
-2260	H61	SLES	1	-22.4111	-5.59374	15.5472	HAL2	2259	0	0	0	0.09	
-2261	H62	SLES	1	-21.5611	-4.2374	16.3743	HAL2	2259	0	0	0	0.09	
-2262	C7	SLES	1	-20.4144	-6.10663	16.2964	CTL2	2259	2263	2264	2265	-0.18	
-2263	H71	SLES	1	-20.6183	-7.13916	15.9357	HAL2	2262	0	0	0	0.09	
-2264	H72	SLES	1	-19.9472	-6.18058	17.3037	HAL2	2262	0	0	0	0.09	
-2265	C8	SLES	1	-19.4184	-5.42258	15.327	CTL2	2262	2266	2267	2268	-0.18	
-2266	H81	SLES	1	-19.9548	-5.14289	14.3913	HAL2	2265	0	0	0	0.09	
-2267	H82	SLES	1	-19.0367	-4.48788	15.7973	HAL2	2265	0	0	0	0.09	
-2268	C9	SLES	1	-18.2191	-6.33576	14.9692	CTL2	2265	2269	2270	2271	-0.18	
-2269	H91	SLES	1	-18.6031	-7.28262	14.5261	HAL2	2268	0	0	0	0.09	
-2270	H92	SLES	1	-17.6673	-6.59197	15.9016	HAL2	2268	0	0	0	0.09	
-2271	C10	SLES	1	-17.2416	-5.67196	13.9705	CTL2	2268	2272	2273	2274	-0.18	
-2272	H10	SLES	1	-17.788	-5.43672	13.0288	HAL2	2271	0	0	0	0.09	
-2273	H10	SLES	1	-16.8742	-4.71405	14.4035	HAL2	2271	0	0	0	0.09	
-2274	C11	SLES	1	-16.0258	-6.5772	13.6383	CTL2	2271	2275	2276	2277	-0.18	
-2275	H11	SLES	1	-16.3982	-7.53101	13.1992	HAL2	2274	0	0	0	0.09	
-2276	H11	SLES	1	-15.4933	-6.82434	14.585	HAL2	2274	0	0	0	0.09	
-2277	C12	SLES	1	-15.018	-5.9328	12.6516	CTL3	2274	2278	2279	2280	-0.27	
-2278	H12	SLES	1	-14.9157	-6.56031	11.7388	HAL3	2277	0	0	0	0.09	
-2279	H12	SLES	1	-14.018	-5.83585	13.1289	HAL3	2277	0	0	0	0.09	
-2280	H12	SLES	1	-15.3657	-4.92107	12.3488	HAL3	2277	0	0	0	0.09	
-2281	NA	SLES	1	-26.9158	-22.7049	26.6854	NA	0	0	0	0	1	
-2282	S	SLES	1	-27.9584	-19.2403	26.1754	SL	2283	2284	2285	2286	1.33	
-2283	OS1	SLES	1	-26.5557	-19.9089	25.5486	OSL	2282	2287	0	0	-0.28	
-2284	OS2	SLES	1	-29.0535	-20.0446	25.6742	O2L	2282	0	0	0	-0.65	
-2285	OS3	SLES	1	-27.8632	-19.3797	27.6135	O2L	2282	0	0	0	-0.65	
-2286	OS4	SLES	1	-28.1688	-17.8445	25.8265	O2L	2282	0	0	0	-0.65	
-2287	C2	SLES	1	-25.9166	-18.9633	24.5905	CC32A	2283	2288	2289	2290	-0.11	
-2288	H2A	SLES	1	-26.6418	-18.6659	23.7827	HCA2	2287	0	0	0	0.09	
-2289	H2B	SLES	1	-25.6015	-18.042	25.1546	HCA2	2287	0	0	0	0.09	
-2290	C1	SLES	1	-24.6329	-19.6611	23.934	CC32A	2287	2291	2292	2293	-0.01	
-2291	H1B	SLES	1	-24.9288	-20.6202	23.4499	HCA2	2290	0	0	0	0.09	
-2292	H1A	SLES	1	-23.8731	-19.8755	24.7213	HCA2	2290	0	0	0	0.09	
-2293	O1	SLES	1	-23.8751	-18.9705	22.8726	OC30A	2290	2294	0	0	-0.34	
-2294	C2	SLES	1	-24.0792	-17.5466	22.7559	CC32A	2293	2295	2296	2297	-0.01	
-2295	H2A	SLES	1	-25.163	-17.4917	22.5344	HCA2	2294	0	0	0	0.09	
-2296	H2B	SLES	1	-23.9076	-17.1937	23.7977	HCA2	2294	0	0	0	0.09	
-2297	C1	SLES	1	-23.2977	-16.635	21.7581	CC32A	2294	2298	2299	2300	-0.01	
-2298	H1B	SLES	1	-23.8534	-16.5676	20.7975	HCA2	2297	0	0	0	0.09	
-2299	H1A	SLES	1	-23.2059	-15.6172	22.1874	HCA2	2297	0	0	0	0.09	
-2300	O1	SLES	1	-21.9611	-16.9559	21.2549	OC30A	2297	2301	0	0	-0.34	
-2301	C1	SLES	1	-21.1219	-15.789	20.9263	CTL2	2300	2302	2303	2304	-0.18	
-2302	H11	SLES	1	-21.7748	-14.8981	20.96	HAL2	2301	0	0	0	0.09	
-2303	H12	SLES	1	-20.4371	-15.7614	21.7991	HAL2	2301	0	0	0	0.09	
-2304	C2	SLES	1	-20.2832	-15.7813	19.5873	CTL2	2301	2305	2306	2307	-0.18	
-2305	H21	SLES	1	-20.4916	-16.7167	19.0213	HAL2	2304	0	0	0	0.09	
-2306	H22	SLES	1	-19.2002	-15.7675	19.8392	HAL2	2304	0	0	0	0.09	
-2307	C3	SLES	1	-20.6234	-14.5184	18.6557	CTL2	2304	2308	2309	2310	-0.18	
-2308	H31	SLES	1	-21.2681	-14.8541	17.8132	HAL2	2307	0	0	0	0.09	
-2309	H32	SLES	1	-21.1962	-13.7767	19.2474	HAL2	2307	0	0	0	0.09	
-2310	C4	SLES	1	-19.3301	-13.8173	18.0656	CTL2	2307	2311	2312	2313	-0.18	
-2311	H41	SLES	1	-19.204	-14.1277	17.0074	HAL2	2310	0	0	0	0.09	
-2312	H42	SLES	1	-18.4379	-14.1613	18.6319	HAL2	2310	0	0	0	0.09	
-2313	C5	SLES	1	-19.4073	-12.2255	18.1374	CTL2	2310	2314	2315	2316	-0.18	
-2314	H51	SLES	1	-20.4672	-11.9195	18.2802	HAL2	2313	0	0	0	0.09	
-2315	H52	SLES	1	-18.8275	-11.8738	19.0212	HAL2	2313	0	0	0	0.09	
-2316	C6	SLES	1	-18.8444	-11.5248	16.8437	CTL2	2313	2317	2318	2319	-0.18	
-2317	H61	SLES	1	-19.5618	-11.6785	16.0066	HAL2	2316	0	0	0	0.09	
-2318	H62	SLES	1	-18.7656	-10.4284	17.031	HAL2	2316	0	0	0	0.09	
-2319	C7	SLES	1	-17.4437	-12.0701	16.4207	CTL2	2316	2320	2321	2322	-0.18	
-2320	H71	SLES	1	-17.5792	-13.0203	15.8579	HAL2	2319	0	0	0	0.09	
-2321	H72	SLES	1	-16.8491	-12.2937	17.3343	HAL2	2319	0	0	0	0.09	
-2322	C8	SLES	1	-16.6559	-11.0704	15.5378	CTL2	2319	2323	2324	2325	-0.18	
-2323	H81	SLES	1	-17.3319	-10.6719	14.7468	HAL2	2322	0	0	0	0.09	
-2324	H82	SLES	1	-16.3209	-10.2147	16.1672	HAL2	2322	0	0	0	0.09	
-2325	C9	SLES	1	-15.4197	-11.7201	14.8669	CTL2	2322	2326	2327	2328	-0.18	
-2326	H91	SLES	1	-15.7523	-12.5936	14.2614	HAL2	2325	0	0	0	0.09	
-2327	H92	SLES	1	-14.7315	-12.0931	15.6585	HAL2	2325	0	0	0	0.09	
-2328	C10	SLES	1	-14.6516	-10.7362	13.9529	CTL2	2325	2329	2330	2331	-0.18	
-2329	H10	SLES	1	-15.3335	-10.3808	13.147	HAL2	2328	0	0	0	0.09	
-2330	H10	SLES	1	-14.3379	-9.85203	14.5528	HAL2	2328	0	0	0	0.09	
-2331	C11	SLES	1	-13.3969	-11.3814	13.307	CTL2	2328	2332	2333	2334	-0.18	
-2332	H11	SLES	1	-13.7166	-12.261	12.7027	HAL2	2331	0	0	0	0.09	
-2333	H11	SLES	1	-12.7268	-11.7512	14.1164	HAL2	2331	0	0	0	0.09	
-2334	C12	SLES	1	-12.5953	-10.4148	12.3972	CTL3	2331	2335	2336	2337	-0.27	
-2335	H12	SLES	1	-12.5411	-10.8152	11.3608	HAL3	2334	0	0	0	0.09	
-2336	H12	SLES	1	-11.5596	-10.2901	12.7836	HAL3	2334	0	0	0	0.09	
-2337	H12	SLES	1	-13.0845	-9.41696	12.3665	HAL3	2334	0	0	0	0.09	
-2338	NA	SLES	1	-19.0135	-30.1825	26.0689	NA	0	0	0	0	1	
-2339	S	SLES	1	-20.488	-26.8542	26.3838	SL	2340	2341	2342	2343	1.33	
-2340	OS1	SLES	1	-19.163	-27.2157	25.424	OSL	2339	2344	0	0	-0.28	
-2341	OS2	SLES	1	-21.5668	-27.7065	25.9284	O2L	2339	0	0	0	-0.65	
-2342	OS3	SLES	1	-20.1152	-27.2123	27.7364	O2L	2339	0	0	0	-0.65	
-2343	OS4	SLES	1	-20.9037	-25.4616	26.3375	O2L	2339	0	0	0	-0.65	
-2344	C2	SLES	1	-18.8138	-26.0489	24.5656	CC32A	2340	2345	2346	2347	-0.11	
-2345	H2A	SLES	1	-19.7026	-25.7243	23.9558	HCA2	2344	0	0	0	0.09	
-2346	H2B	SLES	1	-18.498	-25.198	25.2307	HCA2	2344	0	0	0	0.09	
-2347	C1	SLES	1	-17.6076	-26.4502	23.591	CC32A	2344	2348	2349	2350	-0.01	
-2348	H1B	SLES	1	-17.886	-27.3485	22.9932	HCA2	2347	0	0	0	0.09	
-2349	H1A	SLES	1	-16.6974	-26.6856	24.1905	HCA2	2347	0	0	0	0.09	
-2350	O1	SLES	1	-17.1348	-25.4996	22.566	OC30A	2347	2351	0	0	-0.34	
-2351	C2	SLES	1	-17.5043	-24.1166	22.7488	CC32A	2350	2352	2353	2354	-0.01	
-2352	H2A	SLES	1	-18.6102	-24.1733	22.7212	HCA2	2351	0	0	0	0.09	
-2353	H2B	SLES	1	-17.1813	-23.9186	23.7956	HCA2	2351	0	0	0	0.09	
-2354	C1	SLES	1	-17.0198	-22.9572	21.8223	CC32A	2351	2355	2356	2357	-0.01	
-2355	H1B	SLES	1	-17.7471	-22.8096	20.9945	HCA2	2354	0	0	0	0.09	
-2356	H1A	SLES	1	-16.957	-22.0202	22.4111	HCA2	2354	0	0	0	0.09	
-2357	O1	SLES	1	-15.7728	-23.0081	21.0573	OC30A	2354	2358	0	0	-0.34	
-2358	C1	SLES	1	-15.135	-21.7006	20.8171	CTL2	2357	2359	2360	2361	-0.18	
-2359	H11	SLES	1	-15.8599	-20.9237	21.1206	HAL2	2358	0	0	0	0.09	
-2360	H12	SLES	1	-14.3077	-21.7236	21.5563	HAL2	2358	0	0	0	0.09	
-2361	C2	SLES	1	-14.5632	-21.3612	19.3839	CTL2	2358	2362	2363	2364	-0.18	
-2362	H21	SLES	1	-14.7736	-22.2111	18.6968	HAL2	2361	0	0	0	0.09	
-2363	H22	SLES	1	-13.4598	-21.2425	19.4538	HAL2	2361	0	0	0	0.09	
-2364	C3	SLES	1	-15.1992	-20.0208	18.7695	CTL2	2361	2365	2366	2367	-0.18	
-2365	H31	SLES	1	-15.9497	-20.2986	17.9962	HAL2	2364	0	0	0	0.09	
-2366	H32	SLES	1	-15.7272	-19.4701	19.5732	HAL2	2364	0	0	0	0.09	
-2367	C4	SLES	1	-14.1173	-19.0646	18.1157	CTL2	2364	2368	2369	2370	-0.18	
-2368	H41	SLES	1	-14.1569	-19.1782	17.0122	HAL2	2367	0	0	0	0.09	
-2369	H42	SLES	1	-13.1051	-19.3727	18.4555	HAL2	2367	0	0	0	0.09	
-2370	C5	SLES	1	-14.3456	-17.5312	18.4915	CTL2	2367	2371	2372	2373	-0.18	
-2371	H51	SLES	1	-15.387	-17.3986	18.8593	HAL2	2370	0	0	0	0.09	
-2372	H52	SLES	1	-13.6527	-17.2533	19.3183	HAL2	2370	0	0	0	0.09	
-2373	C6	SLES	1	-14.1073	-16.5591	17.275	CTL2	2370	2374	2375	2376	-0.18	
-2374	H61	SLES	1	-14.9467	-16.6696	16.5524	HAL2	2373	0	0	0	0.09	
-2375	H62	SLES	1	-14.1101	-15.5075	17.6459	HAL2	2373	0	0	0	0.09	
-2376	C7	SLES	1	-12.7595	-16.8337	16.5358	CTL2	2373	2377	2378	2379	-0.18	
-2377	H71	SLES	1	-12.8965	-17.6887	15.8373	HAL2	2376	0	0	0	0.09	
-2378	H72	SLES	1	-11.9865	-17.121	17.283	HAL2	2376	0	0	0	0.09	
-2379	C8	SLES	1	-12.2567	-15.6061	15.7359	CTL2	2376	2380	2381	2382	-0.18	
-2380	H81	SLES	1	-13.1048	-15.1789	15.1531	HAL2	2379	0	0	0	0.09	
-2381	H82	SLES	1	-11.9025	-14.8273	16.4491	HAL2	2379	0	0	0	0.09	
-2382	C9	SLES	1	-11.1046	-15.9644	14.7641	CTL2	2379	2383	2384	2385	-0.18	
-2383	H91	SLES	1	-11.4502	-16.7642	14.0704	HAL2	2382	0	0	0	0.09	
-2384	H92	SLES	1	-10.247	-16.3652	15.3502	HAL2	2382	0	0	0	0.09	
-2385	C10	SLES	1	-10.6251	-14.7499	13.9344	CTL2	2382	2386	2387	2388	-0.18	
-2386	H10	SLES	1	-11.4772	-14.3632	13.3301	HAL2	2385	0	0	0	0.09	
-2387	H10	SLES	1	-10.3001	-13.9414	14.6277	HAL2	2385	0	0	0	0.09	
-2388	C11	SLES	1	-9.4507	-15.1055	12.9845	CTL2	2385	2389	2390	2391	-0.18	
-2389	H11	SLES	1	-9.7829	-15.9096	12.2888	HAL2	2388	0	0	0	0.09	
-2390	H11	SLES	1	-8.60794	-15.5085	13.5914	HAL2	2388	0	0	0	0.09	
-2391	C12	SLES	1	-8.93593	-13.904	12.1502	CTL3	2388	2392	2393	2394	-0.27	
-2392	H12	SLES	1	-9.0324	-14.1188	11.0631	HAL3	2391	0	0	0	0.09	
-2393	H12	SLES	1	-7.86558	-13.7052	12.3786	HAL3	2391	0	0	0	0.09	
-2394	H12	SLES	1	-9.5239	-12.9899	12.3843	HAL3	2391	0	0	0	0.09	
-2395	NA	SLES	1	-9.2837	-34.8449	25.529	NA	0	0	0	0	1	
-2396	S	SLES	1	-10.9973	-31.788	26.5631	SL	2397	2398	2399	2400	1.33	
-2397	OS1	SLES	1	-9.89243	-31.8751	25.3064	OSL	2396	2401	0	0	-0.28	
-2398	OS2	SLES	1	-12.0532	-32.7264	26.2441	O2L	2396	0	0	0	-0.65	
-2399	OS3	SLES	1	-10.2925	-32.2248	27.7501	O2L	2396	0	0	0	-0.65	
-2400	OS4	SLES	1	-11.5596	-30.4647	26.7804	O2L	2396	0	0	0	-0.65	
-2401	C2	SLES	1	-9.87334	-30.5937	24.5462	CC32A	2397	2402	2403	2404	-0.11	
-2402	H2A	SLES	1	-10.9065	-30.3312	24.1844	HCA2	2401	0	0	0	0.09	
-2403	H2B	SLES	1	-9.50861	-29.778	25.2302	HCA2	2401	0	0	0	0.09	
-2404	C1	SLES	1	-8.88248	-30.7343	23.2955	CC32A	2401	2405	2406	2407	-0.01	
-2405	H1B	SLES	1	-9.19072	-31.5984	22.6629	HCA2	2404	0	0	0	0.09	
-2406	H1A	SLES	1	-7.84062	-30.9051	23.654	HCA2	2404	0	0	0	0.09	
-2407	O1	SLES	1	-8.75822	-29.6335	22.3205	OC30A	2404	2408	0	0	-0.34	
-2408	C2	SLES	1	-9.22309	-28.3362	22.7489	CC32A	2407	2409	2410	2411	-0.01	
-2409	H2A	SLES	1	-10.294	-28.5355	22.9498	HCA2	2408	0	0	0	0.09	
-2410	H2B	SLES	1	-8.69517	-28.201	23.7197	HCA2	2408	0	0	0	0.09	
-2411	C1	SLES	1	-9.08756	-27.0376	21.8931	CC32A	2408	2412	2413	2414	-0.01	
-2412	H1B	SLES	1	-9.99455	-26.9068	21.2636	HCA2	2411	0	0	0	0.09	
-2413	H1A	SLES	1	-8.99434	-26.1629	22.5675	HCA2	2411	0	0	0	0.09	
-2414	O1	SLES	1	-8.04756	-26.8477	20.8806	OC30A	2411	2415	0	0	-0.34	
-2415	C1	SLES	1	-7.62452	-25.4502	20.6759	CTL2	2414	2416	2417	2418	-0.18	
-2416	H11	SLES	1	-8.34115	-24.8095	21.221	HAL2	2415	0	0	0	0.09	
-2417	H12	SLES	1	-6.65412	-25.4361	21.2138	HAL2	2415	0	0	0	0.09	
-2418	C2	SLES	1	-7.43101	-24.899	19.2079	CTL2	2415	2419	2420	2421	-0.18	
-2419	H21	SLES	1	-7.69869	-25.6977	18.4804	HAL2	2418	0	0	0	0.09	
-2420	H22	SLES	1	-6.35955	-24.6429	19.0563	HAL2	2418	0	0	0	0.09	
-2421	C3	SLES	1	-8.32935	-23.6007	18.9149	CTL2	2418	2422	2423	2424	-0.18	
-2422	H31	SLES	1	-9.20084	-23.8979	18.29	HAL2	2421	0	0	0	0.09	
-2423	H32	SLES	1	-8.71818	-23.2062	19.8748	HAL2	2421	0	0	0	0.09	
-2424	C4	SLES	1	-7.53207	-22.4503	18.1712	CTL2	2421	2425	2426	2427	-0.18	
-2425	H41	SLES	1	-7.8074	-22.4591	17.0959	HAL2	2424	0	0	0	0.09	
-2426	H42	SLES	1	-6.44217	-22.6537	18.2471	HAL2	2424	0	0	0	0.09	
-2427	C5	SLES	1	-7.83275	-21.0048	18.7754	CTL2	2424	2428	2429	2430	-0.18	
-2428	H51	SLES	1	-8.77222	-21.0479	19.3696	HAL2	2427	0	0	0	0.09	
-2429	H52	SLES	1	-7.00492	-20.7204	19.4644	HAL2	2427	0	0	0	0.09	
-2430	C6	SLES	1	-7.98099	-19.8951	17.6673	CTL2	2427	2431	2432	2433	-0.18	
-2431	H61	SLES	1	-8.94515	-20.044	17.1314	HAL2	2430	0	0	0	0.09	
-2432	H62	SLES	1	-8.01276	-18.8946	18.1588	HAL2	2430	0	0	0	0.09	
-2433	C7	SLES	1	-6.81356	-19.9151	16.6305	CTL2	2430	2434	2435	2436	-0.18	
-2434	H71	SLES	1	-7.01225	-20.7079	15.8758	HAL2	2433	0	0	0	0.09	
-2435	H72	SLES	1	-5.86555	-20.1697	17.1548	HAL2	2433	0	0	0	0.09	
-2436	C8	SLES	1	-6.63912	-18.5592	15.902	CTL2	2433	2437	2438	2439	-0.18	
-2437	H81	SLES	1	-7.63774	-18.1927	15.5706	HAL2	2436	0	0	0	0.09	
-2438	H82	SLES	1	-6.21858	-17.8143	16.6154	HAL2	2436	0	0	0	0.09	
-2439	C9	SLES	1	-5.70458	-18.6649	14.6709	CTL2	2436	2440	2441	2442	-0.18	
-2440	H91	SLES	1	-6.11007	-19.4313	13.9719	HAL2	2439	0	0	0	0.09	
-2441	H92	SLES	1	-4.69888	-19.0043	15.0068	HAL2	2439	0	0	0	0.09	
-2442	C10	SLES	1	-5.55808	-17.322	13.9167	CTL2	2439	2443	2444	2445	-0.18	
-2443	H10	SLES	1	-6.56108	-16.9939	13.5602	HAL2	2442	0	0	0	0.09	
-2444	H10	SLES	1	-5.17356	-16.5497	14.6207	HAL2	2442	0	0	0	0.09	
-2445	C11	SLES	1	-4.59733	-17.4242	12.7024	CTL2	2442	2446	2447	2448	-0.18	
-2446	H11	SLES	1	-4.98985	-18.1929	11.9981	HAL2	2445	0	0	0	0.09	
-2447	H11	SLES	1	-3.60105	-17.7699	13.0614	HAL2	2445	0	0	0	0.09	
-2448	C12	SLES	1	-4.41624	-16.0891	11.9347	CTL3	2445	2449	2450	2451	-0.27	
-2449	H12	SLES	1	-4.73215	-16.2069	10.8747	HAL3	2448	0	0	0	0.09	
-2450	H12	SLES	1	-3.34964	-15.7739	11.9538	HAL3	2448	0	0	0	0.09	
-2451	H12	SLES	1	-5.03074	-15.2882	12.4007	HAL3	2448	0	0	0	0.09	
-2452	NA	SLES	1	1.32835	-36.3232	25.1185	NA	0	0	0	0	1	
-2453	S	SLES	1	-0.419184	-33.5288	26.6957	SL	2454	2455	2456	2457	1.33	
-2454	OS1	SLES	1	0.346336	-33.4479	25.2074	OSL	2453	2458	0	0	-0.28	
-2455	OS2	SLES	1	-1.40597	-34.5836	26.5905	O2L	2453	0	0	0	-0.65	
-2456	OS3	SLES	1	0.600528	-33.9024	27.6534	O2L	2453	0	0	0	-0.65	
-2457	OS4	SLES	1	-1.05939	-32.2914	27.1121	O2L	2453	0	0	0	-0.65	
-2458	C2	SLES	1	0.0309875	-32.1565	24.5343	CC32A	2454	2459	2460	2461	-0.11	
-2459	H2A	SLES	1	-1.08243	-32.0162	24.4461	HCA2	2458	0	0	0	0.09	
-2460	H2B	SLES	1	0.455982	-31.3181	25.1529	HCA2	2458	0	0	0	0.09	
-2461	C1	SLES	1	0.694373	-32.143	23.0763	CC32A	2458	2462	2463	2464	-0.01	
-2462	H1B	SLES	1	0.341925	-33.0236	22.4913	HCA2	2461	0	0	0	0.09	
-2463	H1A	SLES	1	1.80483	-32.1912	23.1641	HCA2	2461	0	0	0	0.09	
-2464	O1	SLES	1	0.448382	-31.0126	22.1601	OC30A	2461	2465	0	0	-0.34	
-2465	C2	SLES	1	-0.0432398	-29.7938	22.7563	CC32A	2464	2466	2467	2468	-0.01	
-2466	H2A	SLES	1	-1.00194	-30.1296	23.1979	HCA2	2465	0	0	0	0.09	
-2467	H2B	SLES	1	0.687401	-29.6169	23.5774	HCA2	2465	0	0	0	0.09	
-2468	C1	SLES	1	-0.271905	-28.4685	21.9634	CC32A	2465	2469	2470	2471	-0.01	
-2469	H1B	SLES	1	-1.31438	-28.4369	21.5783	HCA2	2468	0	0	0	0.09	
-2470	H1A	SLES	1	-0.117396	-27.6052	22.6413	HCA2	2468	0	0	0	0.09	
-2471	O1	SLES	1	0.459182	-28.1268	20.7421	OC30A	2468	2472	0	0	-0.34	
-2472	C1	SLES	1	0.655529	-26.683	20.5164	CTL2	2471	2473	2474	2475	-0.18	
-2473	H11	SLES	1	0.0256561	-26.1496	21.2512	HAL2	2472	0	0	0	0.09	
-2474	H12	SLES	1	1.71994	-26.5609	20.8052	HAL2	2472	0	0	0	0.09	
-2475	C2	SLES	1	0.418546	-26.0775	19.0765	CTL2	2472	2476	2477	2478	-0.18	
-2476	H21	SLES	1	0.0743478	-26.8858	18.3932	HAL2	2475	0	0	0	0.09	
-2477	H22	SLES	1	1.38337	-25.6864	18.6856	HAL2	2475	0	0	0	0.09	
-2478	C3	SLES	1	-0.667353	-24.8945	19.0777	CTL2	2475	2479	2480	2481	-0.18	
-2479	H31	SLES	1	-1.6253	-25.2831	18.6658	HAL2	2478	0	0	0	0.09	
-2480	H32	SLES	1	-0.851682	-24.5743	20.1226	HAL2	2478	0	0	0	0.09	
-2481	C4	SLES	1	-0.214457	-23.6365	18.2265	CTL2	2478	2482	2483	2484	-0.18	
-2482	H41	SLES	1	-0.7421	-23.6542	17.2501	HAL2	2481	0	0	0	0.09	
-2483	H42	SLES	1	0.876737	-23.7044	18.0272	HAL2	2481	0	0	0	0.09	
-2484	C5	SLES	1	-0.521962	-22.2545	18.9615	CTL2	2481	2485	2486	2487	-0.18	
-2485	H51	SLES	1	-1.27573	-22.4282	19.7609	HAL2	2484	0	0	0	0.09	
-2486	H52	SLES	1	0.411157	-21.8856	19.4453	HAL2	2484	0	0	0	0.09	
-2487	C6	SLES	1	-1.06393	-21.1459	17.9823	CTL2	2484	2488	2489	2490	-0.18	
-2488	H61	SLES	1	-2.10634	-21.4011	17.6867	HAL2	2487	0	0	0	0.09	
-2489	H62	SLES	1	-1.08904	-20.1691	18.5196	HAL2	2487	0	0	0	0.09	
-2490	C7	SLES	1	-0.191986	-20.9959	16.6956	CTL2	2487	2491	2492	2493	-0.18	
-2491	H71	SLES	1	-0.477143	-21.7893	15.9696	HAL2	2490	0	0	0	0.09	
-2492	H72	SLES	1	0.878391	-21.1428	16.9622	HAL2	2490	0	0	0	0.09	
-2493	C8	SLES	1	-0.35857	-19.612	16.0198	CTL2	2490	2494	2495	2496	-0.18	
-2494	H81	SLES	1	-1.44328	-19.365	15.9583	HAL2	2493	0	0	0	0.09	
-2495	H82	SLES	1	0.135495	-18.8377	16.6498	HAL2	2493	0	0	0	0.09	
-2496	C9	SLES	1	0.251377	-19.5714	14.5962	CTL2	2493	2497	2498	2499	-0.18	
-2497	H91	SLES	1	-0.222203	-20.3656	13.9755	HAL2	2496	0	0	0	0.09	
-2498	H92	SLES	1	1.34089	-19.7909	14.6619	HAL2	2496	0	0	0	0.09	
-2499	C10	SLES	1	0.0531101	-18.2033	13.9017	CTL2	2496	2500	2501	2502	-0.18	
-2500	H10	SLES	1	-1.03754	-17.9943	13.8148	HAL2	2499	0	0	0	0.09	
-2501	H10	SLES	1	0.507048	-17.406	14.5327	HAL2	2499	0	0	0	0.09	
-2502	C11	SLES	1	0.692018	-18.1563	12.4883	CTL2	2499	2503	2504	2505	-0.18	
-2503	H11	SLES	1	0.229882	-18.9511	11.8591	HAL2	2502	0	0	0	0.09	
-2504	H11	SLES	1	1.77883	-18.3837	12.5782	HAL2	2502	0	0	0	0.09	
-2505	C12	SLES	1	0.524628	-16.7913	11.7718	CTL3	2502	2506	2507	2508	-0.27	
-2506	H12	SLES	1	-0.0258133	-16.9225	10.8142	HAL3	2505	0	0	0	0.09	
-2507	H12	SLES	1	1.51981	-16.3464	11.5506	HAL3	2505	0	0	0	0.09	
-2508	H12	SLES	1	-0.0447754	-16.0844	12.4138	HAL3	2505	0	0	0	0.09	
-2509	NA	SLES	1	11.8411	-34.5394	24.8777	NA	0	0	0	0	1	
-2510	S	SLES	1	10.1902	-31.8844	26.7686	SL	2511	2512	2513	2514	1.33	
-2511	OS1	SLES	1	10.5592	-31.7954	25.1366	OSL	2510	2515	0	0	-0.28	
-2512	OS2	SLES	1	9.34635	-33.0498	26.9335	O2L	2510	0	0	0	-0.65	
-2513	OS3	SLES	1	11.4487	-32.0867	27.4556	O2L	2510	0	0	0	-0.65	
-2514	OS4	SLES	1	9.52002	-30.7084	27.2999	O2L	2510	0	0	0	-0.65	
-2515	C2	SLES	1	9.933	-30.5866	24.531	CC32A	2511	2516	2517	2518	-0.11	
-2516	H2A	SLES	1	8.8225	-30.5801	24.7151	HCA2	2515	0	0	0	0.09	
-2517	H2B	SLES	1	10.3865	-29.6731	25.0066	HCA2	2515	0	0	0	0.09	
-2518	C1	SLES	1	10.2193	-30.5746	22.955	CC32A	2515	2519	2520	2521	-0.01	
-2519	H1B	SLES	1	9.84902	-31.5197	22.4953	HCA2	2518	0	0	0	0.09	
-2520	H1A	SLES	1	11.3154	-30.49	22.769	HCA2	2518	0	0	0	0.09	
-2521	O1	SLES	1	9.62148	-29.5304	22.1006	OC30A	2518	2522	0	0	-0.34	
-2522	C2	SLES	1	9.13984	-28.3461	22.7701	CC32A	2521	2523	2524	2525	-0.01	
-2523	H2A	SLES	1	8.36496	-28.766	23.4411	HCA2	2522	0	0	0	0.09	
-2524	H2B	SLES	1	10.0186	-28.0429	23.3827	HCA2	2522	0	0	0	0.09	
-2525	C1	SLES	1	8.56406	-27.1001	22.0264	CC32A	2522	2526	2527	2528	-0.01	
-2526	H1B	SLES	1	7.46399	-27.2091	21.908	HCA2	2525	0	0	0	0.09	
-2527	H1A	SLES	1	8.76832	-26.1899	22.6251	HCA2	2525	0	0	0	0.09	
-2528	O1	SLES	1	8.93161	-26.7421	20.6554	OC30A	2525	2529	0	0	-0.34	
-2529	C1	SLES	1	8.8866	-25.2994	20.3544	CTL2	2528	2530	2531	2532	-0.18	
-2530	H11	SLES	1	8.39055	-24.8036	21.2084	HAL2	2529	0	0	0	0.09	
-2531	H12	SLES	1	9.9655	-25.0406	20.3705	HAL2	2529	0	0	0	0.09	
-2532	C2	SLES	1	8.23683	-24.8027	19.0027	CTL2	2529	2533	2534	2535	-0.18	
-2533	H21	SLES	1	7.84183	-25.6806	18.4439	HAL2	2532	0	0	0	0.09	
-2534	H22	SLES	1	9.02292	-24.3248	18.378	HAL2	2532	0	0	0	0.09	
-2535	C3	SLES	1	7.04451	-23.7542	19.2421	CTL2	2532	2536	2537	2538	-0.18	
-2536	H31	SLES	1	6.07167	-24.2716	19.0869	HAL2	2535	0	0	0	0.09	
-2537	H32	SLES	1	7.07845	-23.4021	20.2924	HAL2	2535	0	0	0	0.09	
-2538	C4	SLES	1	7.11918	-22.4996	18.2763	CTL2	2535	2539	2540	2541	-0.18	
-2539	H41	SLES	1	6.37865	-22.6297	17.4597	HAL2	2538	0	0	0	0.09	
-2540	H42	SLES	1	8.13014	-22.4521	17.8173	HAL2	2538	0	0	0	0.09	
-2541	C5	SLES	1	6.82783	-21.1249	19.0314	CTL2	2538	2542	2543	2544	-0.18	
-2542	H51	SLES	1	6.31609	-21.3413	19.9951	HAL2	2541	0	0	0	0.09	
-2543	H52	SLES	1	7.79651	-20.6259	19.2628	HAL2	2541	0	0	0	0.09	
-2544	C6	SLES	1	5.93264	-20.1397	18.189	CTL2	2541	2545	2546	2547	-0.18	
-2545	H61	SLES	1	4.88986	-20.5284	18.1641	HAL2	2544	0	0	0	0.09	
-2546	H62	SLES	1	5.91605	-19.1451	18.6928	HAL2	2544	0	0	0	0.09	
-2547	C7	SLES	1	6.44393	-19.9592	16.7247	CTL2	2544	2548	2549	2550	-0.18	
-2548	H71	SLES	1	6.09362	-20.8176	16.1097	HAL2	2547	0	0	0	0.09	
-2549	H72	SLES	1	7.5567	-19.9677	16.7241	HAL2	2547	0	0	0	0.09	
-2550	C8	SLES	1	5.94877	-18.6417	16.0778	CTL2	2547	2551	2552	2553	-0.18	
-2551	H81	SLES	1	4.85903	-18.5246	16.2783	HAL2	2550	0	0	0	0.09	
-2552	H82	SLES	1	6.47945	-17.7831	16.549	HAL2	2550	0	0	0	0.09	
-2553	C9	SLES	1	6.18855	-18.6071	14.5476	CTL2	2550	2554	2555	2556	-0.18	
-2554	H91	SLES	1	5.68227	-19.4824	14.0809	HAL2	2553	0	0	0	0.09	
-2555	H92	SLES	1	7.28046	-18.696	14.3493	HAL2	2553	0	0	0	0.09	
-2556	C10	SLES	1	5.66034	-17.3098	13.8907	CTL2	2553	2557	2558	2559	-0.18	
-2557	H10	SLES	1	4.56352	-17.2325	14.069	HAL2	2556	0	0	0	0.09	
-2558	H10	SLES	1	6.14977	-16.4331	14.3721	HAL2	2556	0	0	0	0.09	
-2559	C11	SLES	1	5.92966	-17.265	12.3631	CTL2	2556	2560	2561	2562	-0.18	
-2560	H11	SLES	1	5.43244	-18.1401	11.8854	HAL2	2559	0	0	0	0.09	
-2561	H11	SLES	1	7.0258	-17.3608	12.1892	HAL2	2559	0	0	0	0.09	
-2562	C12	SLES	1	5.4263	-15.9685	11.6775	CTL3	2559	2563	2564	2565	-0.27	
-2563	H12	SLES	1	4.68245	-16.2128	10.8874	HAL3	2562	0	0	0	0.09	
-2564	H12	SLES	1	6.27569	-15.4244	11.2086	HAL3	2562	0	0	0	0.09	
-2565	H12	SLES	1	4.94453	-15.2985	12.4226	HAL3	2562	0	0	0	0.09	
-2566	NA	SLES	1	21.3111	-29.6882	24.83	NA	0	0	0	0	1	
-2567	S	SLES	1	19.7629	-27.0102	26.7748	SL	2568	2569	2570	2571	1.33	
-2568	OS1	SLES	1	19.7621	-27.0868	25.101	OSL	2567	2572	0	0	-0.28	
-2569	OS2	SLES	1	19.1349	-28.2296	27.2397	O2L	2567	0	0	0	-0.65	
-2570	OS3	SLES	1	21.1539	-26.9889	27.1763	O2L	2567	0	0	0	-0.65	
-2571	OS4	SLES	1	19.0713	-25.8558	27.3255	O2L	2567	0	0	0	-0.65	
-2572	C2	SLES	1	18.8674	-26.0374	24.5367	CC32A	2568	2573	2574	2575	-0.11	
-2573	H2A	SLES	1	17.8304	-26.1271	24.9653	HCA2	2572	0	0	0	0.09	
-2574	H2B	SLES	1	19.2867	-25.0283	24.8055	HCA2	2572	0	0	0	0.09	
-2575	C1	SLES	1	18.8086	-26.1918	22.9434	CC32A	2572	2576	2577	2578	-0.01	
-2576	H1B	SLES	1	18.4774	-27.2212	22.6743	HCA2	2575	0	0	0	0.09	
-2577	H1A	SLES	1	19.8192	-26.014	22.5073	HCA2	2575	0	0	0	0.09	
-2578	O1	SLES	1	17.9103	-25.3328	22.1478	OC30A	2575	2579	0	0	-0.34	
-2579	C2	SLES	1	17.4295	-24.1327	22.7891	CC32A	2578	2580	2581	2582	-0.01	
-2580	H2A	SLES	1	16.8771	-24.5461	23.6556	HCA2	2579	0	0	0	0.09	
-2581	H2B	SLES	1	18.3703	-23.6628	23.1545	HCA2	2579	0	0	0	0.09	
-2582	C1	SLES	1	16.5495	-23.0584	22.0759	CC32A	2579	2583	2584	2585	-0.01	
-2583	H1B	SLES	1	15.4736	-23.2987	22.2204	HCA2	2582	0	0	0	0.09	
-2584	H1A	SLES	1	16.754	-22.0639	22.5206	HCA2	2582	0	0	0	0.09	
-2585	O1	SLES	1	16.567	-22.8372	20.629	OC30A	2582	2586	0	0	-0.34	
-2586	C1	SLES	1	16.2688	-21.4567	20.2057	CTL2	2585	2587	2588	2589	-0.18	
-2587	H11	SLES	1	15.9042	-20.9141	21.0967	HAL2	2586	0	0	0	0.09	
-2588	H12	SLES	1	17.2827	-21.0836	19.9522	HAL2	2586	0	0	0	0.09	
-2589	C2	SLES	1	15.2872	-21.2054	18.9935	CTL2	2586	2590	2591	2592	-0.18	
-2590	H21	SLES	1	14.9022	-22.1835	18.6275	HAL2	2589	0	0	0	0.09	
-2591	H22	SLES	1	15.8525	-20.7277	18.1636	HAL2	2589	0	0	0	0.09	
-2592	C3	SLES	1	14.0449	-20.2692	19.3919	CTL2	2589	2593	2594	2595	-0.18	
-2593	H31	SLES	1	13.1384	-20.9033	19.512	HAL2	2592	0	0	0	0.09	
-2594	H32	SLES	1	14.2541	-19.787	20.3675	HAL2	2592	0	0	0	0.09	
-2595	C4	SLES	1	13.7464	-19.1444	18.3157	CTL2	2592	2596	2597	2598	-0.18	
-2596	H41	SLES	1	12.8733	-19.4543	17.7044	HAL2	2595	0	0	0	0.09	
-2597	H42	SLES	1	14.6215	-19.0464	17.6378	HAL2	2595	0	0	0	0.09	
-2598	C5	SLES	1	13.4428	-17.7254	18.9783	CTL2	2595	2599	2600	2601	-0.18	
-2599	H51	SLES	1	13.1804	-17.8733	20.0491	HAL2	2598	0	0	0	0.09	
-2600	H52	SLES	1	14.3639	-17.1003	18.9348	HAL2	2598	0	0	0	0.09	
-2601	C6	SLES	1	12.267	-16.955	18.2673	CTL2	2598	2602	2603	2604	-0.18	
-2602	H61	SLES	1	11.3035	-17.4534	18.5169	HAL2	2601	0	0	0	0.09	
-2603	H62	SLES	1	12.2264	-15.9127	18.6616	HAL2	2601	0	0	0	0.09	
-2604	C7	SLES	1	12.4274	-16.9051	16.7148	CTL2	2601	2605	2606	2607	-0.18	
-2605	H71	SLES	1	12.0712	-17.8662	16.2823	HAL2	2604	0	0	0	0.09	
-2606	H72	SLES	1	13.5058	-16.7941	16.4638	HAL2	2604	0	0	0	0.09	
-2607	C8	SLES	1	11.6365	-15.7395	16.0703	CTL2	2604	2608	2609	2610	-0.18	
-2608	H81	SLES	1	10.6085	-15.7159	16.4992	HAL2	2607	0	0	0	0.09	
-2609	H82	SLES	1	12.1368	-14.7769	16.3227	HAL2	2607	0	0	0	0.09	
-2610	C9	SLES	1	11.5394	-15.8709	14.5297	CTL2	2607	2611	2612	2613	-0.18	
-2611	H91	SLES	1	11.0658	-16.8469	14.2777	HAL2	2610	0	0	0	0.09	
-2612	H92	SLES	1	12.5663	-15.8662	14.0996	HAL2	2610	0	0	0	0.09	
-2613	C10	SLES	1	10.717	-14.7301	13.8849	CTL2	2610	2614	2615	2616	-0.18	
-2614	H10	SLES	1	9.68263	-14.7492	14.2978	HAL2	2613	0	0	0	0.09	
-2615	H10	SLES	1	11.1772	-13.7527	14.1548	HAL2	2613	0	0	0	0.09	
-2616	C11	SLES	1	10.6477	-14.848	12.3391	CTL2	2613	2617	2618	2619	-0.18	
-2617	H11	SLES	1	10.1805	-15.8241	12.0744	HAL2	2616	0	0	0	0.09	
-2618	H11	SLES	1	11.6847	-14.8466	11.9324	HAL2	2616	0	0	0	0.09	
-2619	C12	SLES	1	9.84336	-13.7088	11.6609	CTL3	2616	2620	2621	2622	-0.27	
-2620	H12	SLES	1	8.98775	-14.1284	11.0872	HAL3	2619	0	0	0	0.09	
-2621	H12	SLES	1	10.4943	-13.1397	10.9612	HAL3	2619	0	0	0	0.09	
-2622	H12	SLES	1	9.44646	-13.0066	12.4261	HAL3	2619	0	0	0	0.09	
-2623	NA	SLES	1	28.8922	-22.2106	24.9803	NA	0	0	0	0	1	
-2624	S	SLES	1	27.3347	-19.3963	26.7135	SL	2625	2626	2627	2628	1.33	
-2625	OS1	SLES	1	27.071	-19.78	25.104	OSL	2624	2629	0	0	-0.28	
-2626	OS2	SLES	1	26.9616	-20.5678	27.479	O2L	2624	0	0	0	-0.65	
-2627	OS3	SLES	1	28.7567	-19.1562	26.8426	O2L	2624	0	0	0	-0.65	
-2628	OS4	SLES	1	26.5926	-18.2386	27.1865	O2L	2624	0	0	0	-0.65	
-2629	C2	SLES	1	25.9627	-18.9518	24.5508	CC32A	2625	2630	2631	2632	-0.11	
-2630	H2A	SLES	1	25.0313	-19.0686	25.1721	HCA2	2629	0	0	0	0.09	
-2631	H2B	SLES	1	26.2799	-17.8723	24.5692	HCA2	2629	0	0	0	0.09	
-2632	C1	SLES	1	25.666	-19.4027	23.0426	CC32A	2629	2633	2634	2635	-0.01	
-2633	H1B	SLES	1	25.4376	-20.4929	23.0109	HCA2	2632	0	0	0	0.09	
-2634	H1A	SLES	1	26.5585	-19.204	22.4045	HCA2	2632	0	0	0	0.09	
-2635	O1	SLES	1	24.5422	-18.8036	22.297	OC30A	2632	2636	0	0	-0.34	
-2636	C2	SLES	1	24.0148	-17.5627	22.8114	CC32A	2635	2637	2638	2639	-0.01	
-2637	H2A	SLES	1	23.6723	-17.8645	23.8206	HCA2	2636	0	0	0	0.09	
-2638	H2B	SLES	1	24.9304	-16.9379	22.9153	HCA2	2636	0	0	0	0.09	
-2639	C1	SLES	1	22.8932	-16.7362	22.1071	CC32A	2636	2640	2641	2642	-0.01	
-2640	H1B	SLES	1	21.8978	-17.0567	22.4848	HCA2	2639	0	0	0	0.09	
-2641	H1A	SLES	1	23.0312	-15.6609	22.3381	HCA2	2639	0	0	0	0.09	
-2642	O1	SLES	1	22.6443	-16.7851	20.6654	OC30A	2639	2643	0	0	-0.34	
-2643	C1	SLES	1	22.0972	-15.5451	20.0848	CTL2	2642	2644	2645	2646	-0.18	
-2644	H11	SLES	1	21.813	-14.8885	20.9271	HAL2	2643	0	0	0	0.09	
-2645	H12	SLES	1	22.9962	-15.1215	19.5912	HAL2	2643	0	0	0	0.09	
-2646	C2	SLES	1	20.906	-15.6255	19.05	CTL2	2643	2647	2648	2649	-0.18	
-2647	H21	SLES	1	20.6022	-16.6891	18.9259	HAL2	2646	0	0	0	0.09	
-2648	H22	SLES	1	21.2585	-15.2528	18.0635	HAL2	2646	0	0	0	0.09	
-2649	C3	SLES	1	19.6304	-14.7667	19.5124	CTL2	2646	2650	2651	2652	-0.18	
-2650	H31	SLES	1	18.8499	-15.4589	19.8996	HAL2	2649	0	0	0	0.09	
-2651	H32	SLES	1	19.929	-14.0936	20.3407	HAL2	2649	0	0	0	0.09	
-2652	C4	SLES	1	19.011	-13.8971	18.3409	CTL2	2649	2653	2654	2655	-0.18	
-2653	H41	SLES	1	18.0998	-14.4038	17.96	HAL2	2652	0	0	0	0.09	
-2654	H42	SLES	1	19.7424	-13.8351	17.5065	HAL2	2652	0	0	0	0.09	
-2655	C5	SLES	1	18.6307	-12.4198	18.8074	CTL2	2652	2656	2657	2658	-0.18	
-2656	H51	SLES	1	18.5691	-12.3942	19.9178	HAL2	2655	0	0	0	0.09	
-2657	H52	SLES	1	19.4393	-11.7208	18.4934	HAL2	2655	0	0	0	0.09	
-2658	C6	SLES	1	17.2615	-11.9207	18.2094	CTL2	2655	2659	2660	2661	-0.18	
-2659	H61	SLES	1	16.4279	-12.4622	18.7104	HAL2	2658	0	0	0	0.09	
-2660	H62	SLES	1	17.1453	-10.8336	18.429	HAL2	2658	0	0	0	0.09	
-2661	C7	SLES	1	17.1581	-12.1416	16.6671	CTL2	2658	2662	2663	2664	-0.18	
-2662	H71	SLES	1	16.8693	-13.1978	16.4704	HAL2	2661	0	0	0	0.09	
-2663	H72	SLES	1	18.156	-11.9669	16.2067	HAL2	2661	0	0	0	0.09	
-2664	C8	SLES	1	16.1224	-11.2038	15.9981	CTL2	2661	2665	2666	2667	-0.18	
-2665	H81	SLES	1	15.1845	-11.2089	16.5995	HAL2	2664	0	0	0	0.09	
-2666	H82	SLES	1	16.5225	-10.1643	15.9933	HAL2	2664	0	0	0	0.09	
-2667	C9	SLES	1	15.7938	-11.6265	14.5442	CTL2	2664	2668	2669	2670	-0.18	
-2668	H91	SLES	1	15.4217	-12.6763	14.5466	HAL2	2667	0	0	0	0.09	
-2669	H92	SLES	1	16.7265	-11.5942	13.9373	HAL2	2667	0	0	0	0.09	
-2670	C10	SLES	1	14.7307	-10.7164	13.8848	CTL2	2667	2671	2672	2673	-0.18	
-2671	H10	SLES	1	13.7898	-10.7668	14.4789	HAL2	2670	0	0	0	0.09	
-2672	H10	SLES	1	15.0923	-9.66336	13.902	HAL2	2670	0	0	0	0.09	
-2673	C11	SLES	1	14.4265	-11.1239	12.4187	CTL2	2670	2674	2675	2676	-0.18	
-2674	H11	SLES	1	14.0587	-12.1754	12.4076	HAL2	2673	0	0	0	0.09	
-2675	H11	SLES	1	15.3734	-11.0893	11.833	HAL2	2673	0	0	0	0.09	
-2676	C12	SLES	1	13.3758	-10.2196	11.7238	CTL3	2673	2677	2678	2679	-0.27	
-2677	H12	SLES	1	12.5027	-10.8248	11.394	HAL3	2676	0	0	0	0.09	
-2678	H12	SLES	1	13.8209	-9.72457	10.8326	HAL3	2676	0	0	0	0.09	
-2679	H12	SLES	1	13.0179	-9.43362	12.4239	HAL3	2676	0	0	0	0.09	
-2680	NA	SLES	1	33.8879	-12.7636	25.3137	NA	0	0	0	0	1	
-2681	S	SLES	1	32.1499	-9.81427	26.5909	SL	2682	2683	2684	2685	1.33	
-2682	OS1	SLES	1	31.7824	-10.5776	25.1453	OSL	2681	2686	0	0	-0.28	
-2683	OS2	SLES	1	32.012	-10.8157	27.628	O2L	2681	0	0	0	-0.65	
-2684	OS3	SLES	1	33.5335	-9.40013	26.4874	O2L	2681	0	0	0	-0.65	
-2685	OS4	SLES	1	31.3114	-8.6662	26.8963	O2L	2681	0	0	0	-0.65	
-2686	C2	SLES	1	30.5254	-10.0195	24.5719	CC32A	2682	2687	2688	2689	-0.11	
-2687	H2A	SLES	1	29.6833	-10.0922	25.3153	HCA2	2686	0	0	0	0.09	
-2688	H2B	SLES	1	30.6975	-8.93615	24.321	HCA2	2686	0	0	0	0.09	
-2689	C1	SLES	1	30.1443	-10.8286	23.243	CC32A	2686	2690	2691	2692	-0.01	
-2690	H1B	SLES	1	30.06	-11.9159	23.4722	HCA2	2689	0	0	0	0.09	
-2691	H1A	SLES	1	30.9356	-10.6846	22.4708	HCA2	2689	0	0	0	0.09	
-2692	O1	SLES	1	28.8834	-10.5375	22.5336	OC30A	2689	2693	0	0	-0.34	
-2693	C2	SLES	1	28.2497	-9.27643	22.8347	CC32A	2692	2694	2695	2696	-0.01	
-2694	H2A	SLES	1	28.0509	-9.37745	23.9197	HCA2	2693	0	0	0	0.09	
-2695	H2B	SLES	1	29.0803	-8.5498	22.6884	HCA2	2693	0	0	0	0.09	
-2696	C1	SLES	1	26.9649	-8.75555	22.1169	CC32A	2693	2697	2698	2699	-0.01	
-2697	H1B	SLES	1	26.0626	-9.08732	22.6753	HCA2	2696	0	0	0	0.09	
-2698	H1A	SLES	1	26.9816	-7.64746	22.0953	HCA2	2696	0	0	0	0.09	
-2699	O1	SLES	1	26.5842	-9.15519	20.7611	OC30A	2696	2700	0	0	-0.34	
-2700	C1	SLES	1	25.8236	-8.14439	20.0036	CTL2	2699	2701	2702	2703	-0.18	
-2701	H11	SLES	1	25.5392	-7.34899	20.7161	HAL2	2700	0	0	0	0.09	
-2702	H12	SLES	1	26.6058	-7.74928	19.3229	HAL2	2700	0	0	0	0.09	
-2703	C2	SLES	1	24.5577	-8.58381	19.1667	CTL2	2700	2704	2705	2706	-0.18	
-2704	H21	SLES	1	24.3864	-9.67419	19.31	HAL2	2703	0	0	0	0.09	
-2705	H22	SLES	1	24.7591	-8.40789	18.0873	HAL2	2703	0	0	0	0.09	
-2706	C3	SLES	1	23.2314	-7.78466	19.5919	CTL2	2703	2707	2708	2709	-0.18	
-2707	H31	SLES	1	22.5911	-8.45116	20.2116	HAL2	2706	0	0	0	0.09	
-2708	H32	SLES	1	23.5183	-6.91389	20.2146	HAL2	2706	0	0	0	0.09	
-2709	C4	SLES	1	22.3904	-7.27373	18.3494	CTL2	2706	2710	2711	2712	-0.18	
-2710	H41	SLES	1	21.5212	-7.94813	18.2016	HAL2	2709	0	0	0	0.09	
-2711	H42	SLES	1	23.0216	-7.3237	17.4361	HAL2	2709	0	0	0	0.09	
-2712	C5	SLES	1	21.8658	-5.77877	18.5355	CTL2	2709	2713	2714	2715	-0.18	
-2713	H51	SLES	1	21.9107	-5.5098	19.614	HAL2	2712	0	0	0	0.09	
-2714	H52	SLES	1	22.5401	-5.0862	17.9817	HAL2	2712	0	0	0	0.09	
-2715	C6	SLES	1	20.3906	-5.57752	18.0212	CTL2	2712	2716	2717	2718	-0.18	
-2716	H61	SLES	1	19.6892	-6.07812	18.7258	HAL2	2715	0	0	0	0.09	
-2717	H62	SLES	1	20.1538	-4.48784	18.0177	HAL2	2715	0	0	0	0.09	
-2718	C7	SLES	1	20.1663	-6.15078	16.5861	CTL2	2715	2719	2720	2721	-0.18	
-2719	H71	SLES	1	20.0017	-7.24888	16.6558	HAL2	2718	0	0	0	0.09	
-2720	H72	SLES	1	21.0823	-5.97858	15.9781	HAL2	2718	0	0	0	0.09	
-2721	C8	SLES	1	18.9551	-5.50504	15.8681	CTL2	2718	2722	2723	2724	-0.18	
-2722	H81	SLES	1	18.0897	-5.47479	16.5693	HAL2	2721	0	0	0	0.09	
-2723	H82	SLES	1	19.2118	-4.45672	15.5929	HAL2	2721	0	0	0	0.09	
-2724	C9	SLES	1	18.5439	-6.27795	14.5899	CTL2	2721	2725	2726	2727	-0.18	
-2725	H91	SLES	1	18.316	-7.33371	14.8615	HAL2	2724	0	0	0	0.09	
-2726	H92	SLES	1	19.4	-6.28362	13.8781	HAL2	2724	0	0	0	0.09	
-2727	C10	SLES	1	17.3102	-5.65974	13.8904	CTL2	2724	2728	2729	2730	-0.18	
-2728	H10	SLES	1	16.4472	-5.67532	14.5945	HAL2	2727	0	0	0	0.09	
-2729	H10	SLES	1	17.5294	-4.59745	13.6384	HAL2	2727	0	0	0	0.09	
-2730	C11	SLES	1	16.9201	-6.41806	12.594	CTL2	2727	2731	2732	2733	-0.18	
-2731	H11	SLES	1	16.6952	-7.47815	12.8523	HAL2	2730	0	0	0	0.09	
-2732	H11	SLES	1	17.792	-6.41527	11.9006	HAL2	2730	0	0	0	0.09	
-2733	C12	SLES	1	15.696	-5.81215	11.8599	CTL3	2730	2734	2735	2736	-0.27	
-2734	H12	SLES	1	14.8824	-6.56625	11.7778	HAL3	2733	0	0	0	0.09	
-2735	H12	SLES	1	15.9819	-5.48635	10.8355	HAL3	2733	0	0	0	0.09	
-2736	H12	SLES	1	15.3078	-4.93137	12.4164	HAL3	2733	0	0	0	0.09	
-2737	NA	SLES	1	41.2591	-2.18434	15.6523	NA	0	0	0	0	1	
-2738	S	SLES	1	39.4292	0.768073	16.7858	SL	2739	2740	2741	2742	1.33	
-2739	OS1	SLES	1	38.8258	-0.363386	15.7073	OSL	2738	2743	0	0	-0.28	
-2740	OS2	SLES	1	39.7655	0.0424865	17.9932	O2L	2738	0	0	0	-0.65	
-2741	OS3	SLES	1	40.6318	1.30044	16.1803	O2L	2738	0	0	0	-0.65	
-2742	OS4	SLES	1	38.5114	1.85171	17.0986	O2L	2738	0	0	0	-0.65	
-2743	C2	SLES	1	37.38	-0.111291	15.4498	CC32A	2739	2744	2745	2746	-0.11	
-2744	H2A	SLES	1	36.8014	-0.0958529	16.4153	HCA2	2743	0	0	0	0.09	
-2745	H2B	SLES	1	37.2761	0.889903	14.9467	HCA2	2743	0	0	0	0.09	
-2746	C1	SLES	1	36.804	-1.25975	14.4931	CC32A	2743	2747	2748	2749	-0.01	
-2747	H1B	SLES	1	36.9855	-2.2599	14.9498	HCA2	2746	0	0	0	0.09	
-2748	H1A	SLES	1	37.3137	-1.2194	13.5023	HCA2	2746	0	0	0	0.09	
-2749	O1	SLES	1	35.366	-1.29844	14.1638	OC30A	2746	2750	0	0	-0.34	
-2750	C2	SLES	1	34.6198	-0.0835074	14.3868	CC32A	2749	2751	2752	2753	-0.01	
-2751	H2A	SLES	1	34.7474	0.0623772	15.4774	HCA2	2750	0	0	0	0.09	
-2752	H2B	SLES	1	35.2316	0.675615	13.8494	HCA2	2750	0	0	0	0.09	
-2753	C1	SLES	1	33.115	0.0942148	14.011	CC32A	2750	2754	2755	2756	-0.01	
-2754	H1B	SLES	1	32.4763	-0.192016	14.8748	HCA2	2753	0	0	0	0.09	
-2755	H1A	SLES	1	32.9226	1.15752	13.7641	HCA2	2753	0	0	0	0.09	
-2756	O1	SLES	1	32.4574	-0.666656	12.9473	OC30A	2753	2757	0	0	-0.34	
-2757	C1	SLES	1	31.3474	0.0332149	12.275	CTL2	2756	2758	2759	2760	-0.18	
-2758	H11	SLES	1	31.1287	0.940877	12.8661	HAL2	2757	0	0	0	0.09	
-2759	H12	SLES	1	31.8277	0.336632	11.3218	HAL2	2757	0	0	0	0.09	
-2760	C2	SLES	1	30.003	-0.740536	11.9746	CTL2	2757	2761	2762	2763	-0.18	
-2761	H21	SLES	1	30.0795	-1.77472	12.3789	HAL2	2760	0	0	0	0.09	
-2762	H22	SLES	1	29.8658	-0.812638	10.8735	HAL2	2760	0	0	0	0.09	
-2763	C3	SLES	1	28.7211	-0.0194775	12.619	CTL2	2760	2764	2765	2766	-0.18	
-2764	H31	SLES	1	28.4076	-0.582784	13.526	HAL2	2763	0	0	0	0.09	
-2765	H32	SLES	1	29.0035	1.00439	12.9355	HAL2	2763	0	0	0	0.09	
-2766	C4	SLES	1	27.4936	0.0710401	11.6204	CTL2	2763	2767	2768	2769	-0.18	
-2767	H41	SLES	1	26.7555	-0.714336	11.8857	HAL2	2766	0	0	0	0.09	
-2768	H42	SLES	1	27.8489	-0.128388	10.5864	HAL2	2766	0	0	0	0.09	
-2769	C5	SLES	1	26.7763	1.49546	11.6561	CTL2	2766	2770	2771	2772	-0.18	
-2770	H51	SLES	1	27.0648	2.02394	12.5915	HAL2	2769	0	0	0	0.09	
-2771	H52	SLES	1	27.1351	2.10392	10.7947	HAL2	2769	0	0	0	0.09	
-2772	C6	SLES	1	25.2057	1.39347	11.5921	CTL2	2769	2773	2774	2775	-0.18	
-2773	H61	SLES	1	24.8275	1.00367	12.5638	HAL2	2772	0	0	0	0.09	
-2774	H62	SLES	1	24.7823	2.41437	11.4439	HAL2	2772	0	0	0	0.09	
-2775	C7	SLES	1	24.7058	0.464015	10.4413	CTL2	2772	2776	2777	2778	-0.18	
-2776	H71	SLES	1	24.7698	-0.594905	10.7764	HAL2	2775	0	0	0	0.09	
-2777	H72	SLES	1	25.373	0.586053	9.55906	HAL2	2775	0	0	0	0.09	
-2778	C8	SLES	1	23.2476	0.770338	10.0176	CTL2	2775	2779	2780	2781	-0.18	
-2779	H81	SLES	1	22.6168	0.871867	10.9304	HAL2	2778	0	0	0	0.09	
-2780	H82	SLES	1	23.2234	1.74153	9.47278	HAL2	2778	0	0	0	0.09	
-2781	C9	SLES	1	22.6506	-0.334343	9.11009	CTL2	2778	2782	2783	2784	-0.18	
-2782	H91	SLES	1	22.7023	-1.31029	9.64413	HAL2	2781	0	0	0	0.09	
-2783	H92	SLES	1	23.2653	-0.415843	8.18544	HAL2	2781	0	0	0	0.09	
-2784	C10	SLES	1	21.1813	-0.0525604	8.7161	CTL2	2781	2785	2786	2787	-0.18	
-2785	H10	SLES	1	20.5618	0.00582877	9.64002	HAL2	2784	0	0	0	0.09	
-2786	H10	SLES	1	21.1255	0.933459	8.20163	HAL2	2784	0	0	0	0.09	
-2787	C11	SLES	1	20.5965	-1.14523	7.7823	CTL2	2784	2788	2789	2790	-0.18	
-2788	H11	SLES	1	20.6483	-2.12824	8.30397	HAL2	2787	0	0	0	0.09	
-2789	H11	SLES	1	21.2296	-1.21228	6.86818	HAL2	2787	0	0	0	0.09	
-2790	C12	SLES	1	19.129	-0.88269	7.35562	CTL3	2787	2791	2792	2793	-0.27	
-2791	H12	SLES	1	18.4758	-1.72229	7.68086	HAL3	2790	0	0	0	0.09	
-2792	H12	SLES	1	19.0592	-0.787318	6.24955	HAL3	2790	0	0	0	0.09	
-2793	H12	SLES	1	18.754	0.0569904	7.81661	HAL3	2790	0	0	0	0.09	
-2794	NA	SLES	1	40.2626	8.24806	16.2164	NA	0	0	0	0	1	
-2795	S	SLES	1	37.9443	11.0475	16.589	SL	2796	2797	2798	2799	1.33	
-2796	OS1	SLES	1	37.5778	9.61275	15.8051	OSL	2795	2800	0	0	-0.28	
-2797	OS2	SLES	1	38.3275	10.689	17.9388	O2L	2795	0	0	0	-0.65	
-2798	OS3	SLES	1	39.0793	11.6108	15.8882	O2L	2795	0	0	0	-0.65	
-2799	OS4	SLES	1	36.8557	12.011	16.6225	O2L	2795	0	0	0	-0.65	
-2800	C2	SLES	1	36.1252	9.56011	15.4773	CC32A	2796	2801	2802	2803	-0.11	
-2801	H2A	SLES	1	35.5034	9.70729	16.4041	HCA2	2800	0	0	0	0.09	
-2802	H2B	SLES	1	35.8934	10.3853	14.7483	HCA2	2800	0	0	0	0.09	
-2803	C1	SLES	1	35.7821	8.14199	14.8162	CC32A	2800	2804	2805	2806	-0.01	
-2804	H1B	SLES	1	36.0927	7.31948	15.501	HCA2	2803	0	0	0	0.09	
-2805	H1A	SLES	1	36.3286	8.03121	13.8507	HCA2	2803	0	0	0	0.09	
-2806	O1	SLES	1	34.3857	7.79504	14.4883	OC30A	2803	2807	0	0	-0.34	
-2807	C2	SLES	1	33.4507	8.89117	14.4054	CC32A	2806	2808	2809	2810	-0.01	
-2808	H2A	SLES	1	33.4993	9.30696	15.4309	HCA2	2807	0	0	0	0.09	
-2809	H2B	SLES	1	33.9642	9.59211	13.7095	HCA2	2807	0	0	0	0.09	
-2810	C1	SLES	1	31.9573	8.73001	13.9799	CC32A	2807	2811	2812	2813	-0.01	
-2811	H1B	SLES	1	31.3278	8.55444	14.8793	HCA2	2810	0	0	0	0.09	
-2812	H1A	SLES	1	31.6158	9.66041	13.4836	HCA2	2810	0	0	0	0.09	
-2813	O1	SLES	1	31.4793	7.64517	13.1212	OC30A	2810	2814	0	0	-0.34	
-2814	C1	SLES	1	30.3098	7.97905	12.2877	CTL2	2813	2815	2816	2817	-0.18	
-2815	H11	SLES	1	29.9242	8.95216	12.642	HAL2	2814	0	0	0	0.09	
-2816	H12	SLES	1	30.7848	8.12453	11.2955	HAL2	2814	0	0	0	0.09	
-2817	C2	SLES	1	29.1177	6.94939	12.1649	CTL2	2814	2818	2819	2820	-0.18	
-2818	H21	SLES	1	29.3325	6.06499	12.8056	HAL2	2817	0	0	0	0.09	
-2819	H22	SLES	1	29.0488	6.60029	11.1113	HAL2	2817	0	0	0	0.09	
-2820	C3	SLES	1	27.7092	7.58399	12.6027	CTL2	2817	2821	2822	2823	-0.18	
-2821	H31	SLES	1	27.4412	7.20556	13.6142	HAL2	2820	0	0	0	0.09	
-2822	H32	SLES	1	27.8139	8.68531	12.6685	HAL2	2820	0	0	0	0.09	
-2823	C4	SLES	1	26.5342	7.23831	11.5966	CTL2	2820	2824	2825	2826	-0.18	
-2824	H41	SLES	1	25.9137	6.42805	12.0332	HAL2	2823	0	0	0	0.09	
-2825	H42	SLES	1	26.9675	6.8626	10.6447	HAL2	2823	0	0	0	0.09	
-2826	C5	SLES	1	25.6048	8.49609	11.2821	CTL2	2823	2827	2828	2829	-0.18	
-2827	H51	SLES	1	25.7609	9.26837	12.0673	HAL2	2826	0	0	0	0.09	
-2828	H52	SLES	1	25.9082	8.93583	10.3046	HAL2	2826	0	0	0	0.09	
-2829	C6	SLES	1	24.0739	8.12913	11.2254	CTL2	2826	2830	2831	2832	-0.18	
-2830	H61	SLES	1	23.7121	7.9217	12.2575	HAL2	2829	0	0	0	0.09	
-2831	H62	SLES	1	23.506	9.0046	10.8323	HAL2	2829	0	0	0	0.09	
-2832	C7	SLES	1	23.7819	6.88779	10.3243	CTL2	2829	2833	2834	2835	-0.18	
-2833	H71	SLES	1	23.9916	5.96149	10.9037	HAL2	2832	0	0	0	0.09	
-2834	H72	SLES	1	24.4657	6.90626	9.44658	HAL2	2832	0	0	0	0.09	
-2835	C8	SLES	1	22.3171	6.84626	9.8221	CTL2	2832	2836	2837	2838	-0.18	
-2836	H81	SLES	1	21.6331	7.05517	10.6765	HAL2	2835	0	0	0	0.09	
-2837	H82	SLES	1	22.1707	7.64583	9.06061	HAL2	2835	0	0	0	0.09	
-2838	C9	SLES	1	21.944	5.47819	9.19795	CTL2	2835	2839	2840	2841	-0.18	
-2839	H91	SLES	1	22.1189	4.676	9.95044	HAL2	2838	0	0	0	0.09	
-2840	H92	SLES	1	22.6097	5.28311	8.32708	HAL2	2838	0	0	0	0.09	
-2841	C10	SLES	1	20.4706	5.41828	8.73034	CTL2	2838	2842	2843	2844	-0.18	
-2842	H10	SLES	1	19.8039	5.59027	9.60596	HAL2	2841	0	0	0	0.09	
-2843	H10	SLES	1	20.2891	6.23406	7.99438	HAL2	2841	0	0	0	0.09	
-2844	C11	SLES	1	20.109	4.05754	8.07793	CTL2	2841	2845	2846	2847	-0.18	
-2845	H11	SLES	1	20.2856	3.24569	8.8201	HAL2	2844	0	0	0	0.09	
-2846	H11	SLES	1	20.79	3.88176	7.21405	HAL2	2844	0	0	0	0.09	
-2847	C12	SLES	1	18.6419	3.97182	7.5832	CTL3	2844	2848	2849	2850	-0.27	
-2848	H12	SLES	1	18.1106	3.13735	8.09188	HAL3	2847	0	0	0	0.09	
-2849	H12	SLES	1	18.6139	3.79304	6.48566	HAL3	2847	0	0	0	0.09	
-2850	H12	SLES	1	18.1037	4.91986	7.80158	HAL3	2847	0	0	0	0.09	
-2851	NA	SLES	1	36.5885	18.1731	16.8258	NA	0	0	0	0	1	
-2852	S	SLES	1	33.8552	20.5564	16.3791	SL	2853	2854	2855	2856	1.33	
-2853	OS1	SLES	1	33.7925	18.9468	15.918	OSL	2852	2857	0	0	-0.28	
-2854	OS2	SLES	1	34.1375	20.5635	17.7996	O2L	2852	0	0	0	-0.65	
-2855	OS3	SLES	1	34.9641	21.1402	15.6539	O2L	2852	0	0	0	-0.65	
-2856	OS4	SLES	1	32.6391	21.3075	16.1121	O2L	2852	0	0	0	-0.65	
-2857	C2	SLES	1	32.4081	18.5817	15.505	CC32A	2853	2858	2859	2860	-0.11	
-2858	H2A	SLES	1	31.6741	18.8161	16.3256	HCA2	2857	0	0	0	0.09	
-2859	H2B	SLES	1	32.1379	19.1815	14.5921	HCA2	2857	0	0	0	0.09	
-2860	C1	SLES	1	32.3527	17.0182	15.161	CC32A	2857	2861	2862	2863	-0.01	
-2861	H1B	SLES	1	32.7048	16.4248	16.0361	HCA2	2860	0	0	0	0.09	
-2862	H1A	SLES	1	33.0116	16.7978	14.289	HCA2	2860	0	0	0	0.09	
-2863	O1	SLES	1	31.0671	16.3793	14.8191	OC30A	2860	2864	0	0	-0.34	
-2864	C2	SLES	1	29.9951	17.2591	14.42	CC32A	2863	2865	2866	2867	-0.01	
-2865	H2A	SLES	1	29.8695	17.886	15.3245	HCA2	2864	0	0	0	0.09	
-2866	H2B	SLES	1	30.4722	17.8719	13.6224	HCA2	2864	0	0	0	0.09	
-2867	C1	SLES	1	28.5974	16.7619	13.9338	CC32A	2864	2868	2869	2870	-0.01	
-2868	H1B	SLES	1	27.9064	16.6786	14.8008	HCA2	2867	0	0	0	0.09	
-2869	H1A	SLES	1	28.1783	17.494	13.2148	HCA2	2867	0	0	0	0.09	
-2870	O1	SLES	1	28.3816	15.4543	13.3121	OC30A	2867	2871	0	0	-0.34	
-2871	C1	SLES	1	27.2735	15.4011	12.3408	CTL2	2870	2872	2873	2874	-0.18	
-2872	H11	SLES	1	26.712	16.3482	12.4347	HAL2	2871	0	0	0	0.09	
-2873	H12	SLES	1	27.8272	15.4097	11.3792	HAL2	2871	0	0	0	0.09	
-2874	C2	SLES	1	26.2674	14.1833	12.3685	CTL2	2871	2875	2876	2877	-0.18	
-2875	H21	SLES	1	26.5393	13.5048	13.2079	HAL2	2874	0	0	0	0.09	
-2876	H22	SLES	1	26.3662	13.6112	11.4201	HAL2	2874	0	0	0	0.09	
-2877	C3	SLES	1	24.7412	14.6502	12.5454	CTL2	2874	2878	2879	2880	-0.18	
-2878	H31	SLES	1	24.4234	14.4564	13.5941	HAL2	2877	0	0	0	0.09	
-2879	H32	SLES	1	24.6742	15.7418	12.3661	HAL2	2877	0	0	0	0.09	
-2880	C4	SLES	1	23.7471	13.9053	11.561	CTL2	2877	2881	2882	2883	-0.18	
-2881	H41	SLES	1	23.2093	13.114	12.1238	HAL2	2880	0	0	0	0.09	
-2882	H42	SLES	1	24.3324	13.4138	10.7542	HAL2	2880	0	0	0	0.09	
-2883	C5	SLES	1	22.6819	14.8922	10.9007	CTL2	2880	2884	2885	2886	-0.18	
-2884	H51	SLES	1	22.6355	15.8291	11.4986	HAL2	2883	0	0	0	0.09	
-2885	H52	SLES	1	23.0219	15.1582	9.87372	HAL2	2883	0	0	0	0.09	
-2886	C6	SLES	1	21.2375	14.2692	10.8167	CTL2	2883	2887	2888	2889	-0.18	
-2887	H61	SLES	1	20.7999	14.2286	11.8394	HAL2	2886	0	0	0	0.09	
-2888	H62	SLES	1	20.5928	14.9324	10.1938	HAL2	2886	0	0	0	0.09	
-2889	C7	SLES	1	21.2323	12.8333	10.2032	CTL2	2886	2890	2891	2892	-0.18	
-2890	H71	SLES	1	21.5122	12.1006	10.9922	HAL2	2889	0	0	0	0.09	
-2891	H72	SLES	1	21.9976	12.7792	9.39706	HAL2	2889	0	0	0	0.09	
-2892	C8	SLES	1	19.8534	12.4397	9.61735	CTL2	2889	2893	2894	2895	-0.18	
-2893	H81	SLES	1	19.0569	12.7077	10.349	HAL2	2892	0	0	0	0.09	
-2894	H82	SLES	1	19.6744	13.0223	8.68507	HAL2	2892	0	0	0	0.09	
-2895	C9	SLES	1	19.757	10.9272	9.29565	CTL2	2892	2896	2897	2898	-0.18	
-2896	H91	SLES	1	19.9654	10.345	10.2219	HAL2	2895	0	0	0	0.09	
-2897	H92	SLES	1	20.5352	10.666	8.5435	HAL2	2895	0	0	0	0.09	
-2898	C10	SLES	1	18.3685	10.5218	8.74695	CTL2	2895	2899	2900	2901	-0.18	
-2899	H10	SLES	1	17.5922	10.7617	9.5089	HAL2	2898	0	0	0	0.09	
-2900	H10	SLES	1	18.1499	11.1196	7.83318	HAL2	2898	0	0	0	0.09	
-2901	C11	SLES	1	18.2855	9.01234	8.39698	CTL2	2898	2902	2903	2904	-0.18	
-2902	H11	SLES	1	18.4981	8.41891	9.31554	HAL2	2901	0	0	0	0.09	
-2903	H11	SLES	1	19.0751	8.77373	7.64835	HAL2	2901	0	0	0	0.09	
-2904	C12	SLES	1	16.91	8.57739	7.8283	CTL3	2901	2905	2906	2907	-0.27	
-2905	H12	SLES	1	16.4556	7.79324	8.47326	HAL3	2904	0	0	0	0.09	
-2906	H12	SLES	1	17.0287	8.16673	6.80136	HAL3	2904	0	0	0	0.09	
-2907	H12	SLES	1	16.217	9.44572	7.78475	HAL3	2904	0	0	0	0.09	
-2908	NA	SLES	1	30.4077	26.895	17.4387	NA	0	0	0	0	1	
-2909	S	SLES	1	27.4672	28.6544	16.1706	SL	2910	2911	2912	2913	1.33	
-2910	OS1	SLES	1	27.7119	27.0022	16.0384	OSL	2909	2914	0	0	-0.28	
-2911	OS2	SLES	1	27.5138	28.9623	17.585	O2L	2909	0	0	0	-0.65	
-2912	OS3	SLES	1	28.5823	29.2822	15.4932	O2L	2909	0	0	0	-0.65	
-2913	OS4	SLES	1	26.2144	29.1255	15.6023	O2L	2909	0	0	0	-0.65	
-2914	C2	SLES	1	26.479	26.3368	15.5308	CC32A	2910	2915	2916	2917	-0.11	
-2915	H2A	SLES	1	25.5967	26.5833	16.185	HCA2	2914	0	0	0	0.09	
-2916	H2B	SLES	1	26.2753	26.7093	14.4887	HCA2	2914	0	0	0	0.09	
-2917	C1	SLES	1	26.7054	24.7512	15.504	CC32A	2914	2918	2919	2920	-0.01	
-2918	H1B	SLES	1	26.9941	24.3923	16.5187	HCA2	2917	0	0	0	0.09	
-2919	H1A	SLES	1	27.5205	24.4963	14.7873	HCA2	2917	0	0	0	0.09	
-2920	O1	SLES	1	25.597	23.8501	15.1333	OC30A	2917	2921	0	0	-0.34	
-2921	C2	SLES	1	24.4875	24.4472	14.4297	CC32A	2920	2922	2923	2924	-0.01	
-2922	H2A	SLES	1	24.1293	25.1937	15.1655	HCA2	2921	0	0	0	0.09	
-2923	H2B	SLES	1	24.9932	24.9814	13.594	HCA2	2921	0	0	0	0.09	
-2924	C1	SLES	1	23.2724	23.6385	13.8759	CC32A	2921	2925	2926	2927	-0.01	
-2925	H1B	SLES	1	22.4705	23.5928	14.6446	HCA2	2924	0	0	0	0.09	
-2926	H1A	SLES	1	22.8732	24.1481	12.9761	HCA2	2924	0	0	0	0.09	
-2927	O1	SLES	1	23.3498	22.224	13.5071	OC30A	2924	2928	0	0	-0.34	
-2928	C1	SLES	1	22.4315	21.8092	12.4307	CTL2	2927	2929	2930	2931	-0.18	
-2929	H11	SLES	1	21.7317	22.6469	12.2584	HAL2	2928	0	0	0	0.09	
-2930	H12	SLES	1	23.1253	21.742	11.5673	HAL2	2928	0	0	0	0.09	
-2931	C2	SLES	1	21.62	20.4609	12.5717	CTL2	2928	2932	2933	2934	-0.18	
-2932	H21	SLES	1	21.8485	19.9994	13.5584	HAL2	2931	0	0	0	0.09	
-2933	H22	SLES	1	21.9512	19.7552	11.7787	HAL2	2931	0	0	0	0.09	
-2934	C3	SLES	1	20.0341	20.682	12.4512	CTL2	2931	2935	2936	2937	-0.18	
-2935	H31	SLES	1	19.5833	20.6258	13.467	HAL2	2934	0	0	0	0.09	
-2936	H32	SLES	1	19.8402	21.6963	12.0489	HAL2	2934	0	0	0	0.09	
-2937	C4	SLES	1	19.3288	19.6143	11.5159	CTL2	2934	2938	2939	2940	-0.18	
-2938	H41	SLES	1	18.8272	18.855	12.1516	HAL2	2937	0	0	0	0.09	
-2939	H42	SLES	1	20.1006	19.0955	10.9075	HAL2	2937	0	0	0	0.09	
-2940	C5	SLES	1	18.2525	20.2699	10.5379	CTL2	2937	2941	2942	2943	-0.18	
-2941	H51	SLES	1	17.9763	21.2759	10.924	HAL2	2940	0	0	0	0.09	
-2942	H52	SLES	1	18.711	20.4038	9.53152	HAL2	2940	0	0	0	0.09	
-2943	C6	SLES	1	16.9454	19.4028	10.3939	CTL2	2940	2944	2945	2946	-0.18	
-2944	H61	SLES	1	16.3597	19.4697	11.3381	HAL2	2943	0	0	0	0.09	
-2945	H62	SLES	1	16.3203	19.8237	9.57198	HAL2	2943	0	0	0	0.09	
-2946	C7	SLES	1	17.2456	17.9016	10.0862	CTL2	2943	2947	2948	2949	-0.18	
-2947	H71	SLES	1	17.4978	17.38	11.036	HAL2	2946	0	0	0	0.09	
-2948	H72	SLES	1	18.1301	17.8377	9.41389	HAL2	2946	0	0	0	0.09	
-2949	C8	SLES	1	16.0499	17.1788	9.41731	CTL2	2946	2950	2951	2952	-0.18	
-2950	H81	SLES	1	15.1161	17.4313	9.97026	HAL2	2949	0	0	0	0.09	
-2951	H82	SLES	1	15.9409	17.5469	8.37173	HAL2	2949	0	0	0	0.09	
-2952	C9	SLES	1	16.2253	15.6396	9.39653	CTL2	2949	2953	2954	2955	-0.18	
-2953	H91	SLES	1	16.3639	15.2758	10.44	HAL2	2952	0	0	0	0.09	
-2954	H92	SLES	1	17.1436	15.3868	8.81994	HAL2	2952	0	0	0	0.09	
-2955	C10	SLES	1	15.016	14.9103	8.7648	CTL2	2952	2956	2957	2958	-0.18	
-2956	H10	SLES	1	14.1011	15.1444	9.35545	HAL2	2955	0	0	0	0.09	
-2957	H10	SLES	1	14.8632	15.2896	7.72902	HAL2	2955	0	0	0	0.09	
-2958	C11	SLES	1	15.2085	13.3713	8.71771	CTL2	2955	2959	2960	2961	-0.18	
-2959	H11	SLES	1	15.3541	12.996	9.75651	HAL2	2958	0	0	0	0.09	
-2960	H11	SLES	1	16.1342	13.1431	8.14148	HAL2	2958	0	0	0	0.09	
-2961	C12	SLES	1	14.0194	12.6121	8.07423	CTL3	2958	2962	2963	2964	-0.27	
-2962	H12	SLES	1	13.5851	11.8886	8.79902	HAL3	2961	0	0	0	0.09	
-2963	H12	SLES	1	14.3593	12.0522	7.17515	HAL3	2961	0	0	0	0.09	
-2964	H12	SLES	1	13.2246	13.3264	7.76727	HAL3	2961	0	0	0	0.09	
-2965	NA	SLES	1	22.0826	33.7631	18.0136	NA	0	0	0	0	1	
-2966	S	SLES	1	19.235	34.8101	15.9776	SL	2967	2968	2969	2970	1.33	
-2967	OS1	SLES	1	19.7367	33.2216	16.158	OSL	2966	2971	0	0	-0.28	
-2968	OS2	SLES	1	18.9514	35.3026	17.3098	O2L	2966	0	0	0	-0.65	
-2969	OS3	SLES	1	20.3612	35.527	15.4172	O2L	2966	0	0	0	-0.65	
-2970	OS4	SLES	1	18.0675	34.9805	15.1277	O2L	2966	0	0	0	-0.65	
-2971	C2	SLES	1	18.74	32.2937	15.5531	CC32A	2967	2972	2973	2974	-0.11	
-2972	H2A	SLES	1	17.7181	32.4676	15.9919	HCA2	2971	0	0	0	0.09	
-2973	H2B	SLES	1	18.6985	32.4869	14.4453	HCA2	2971	0	0	0	0.09	
-2974	C1	SLES	1	19.1931	30.781	15.8218	CC32A	2971	2975	2976	2977	-0.01	
-2975	H1B	SLES	1	19.3206	30.6121	16.9159	HCA2	2974	0	0	0	0.09	
-2976	H1A	SLES	1	20.1637	30.5792	15.3117	HCA2	2974	0	0	0	0.09	
-2977	O1	SLES	1	18.3235	29.6621	15.4098	OC30A	2974	2978	0	0	-0.34	
-2978	C2	SLES	1	17.3039	29.9627	14.4336	CC32A	2977	2979	2980	2981	-0.01	
-2979	H2A	SLES	1	16.7015	30.7255	14.9646	HCA2	2978	0	0	0	0.09	
-2980	H2B	SLES	1	17.885	30.4627	13.6263	HCA2	2978	0	0	0	0.09	
-2981	C1	SLES	1	16.3544	28.8918	13.81	CC32A	2978	2982	2983	2984	-0.01	
-2982	H1B	SLES	1	15.4294	28.8091	14.4213	HCA2	2981	0	0	0	0.09	
-2983	H1A	SLES	1	16.0751	29.2037	12.7837	HCA2	2981	0	0	0	0.09	
-2984	O1	SLES	1	16.7074	27.476	13.6928	OC30A	2981	2985	0	0	-0.34	
-2985	C1	SLES	1	16.0937	26.773	12.5512	CTL2	2984	2986	2987	2988	-0.18	
-2986	H11	SLES	1	15.3296	27.4481	12.1252	HAL2	2985	0	0	0	0.09	
-2987	H12	SLES	1	16.9493	26.7146	11.847	HAL2	2985	0	0	0	0.09	
-2988	C2	SLES	1	15.4733	25.3351	12.7605	CTL2	2985	2989	2990	2991	-0.18	
-2989	H21	SLES	1	15.5628	25.0521	13.8332	HAL2	2988	0	0	0	0.09	
-2990	H22	SLES	1	16.0553	24.5999	12.1627	HAL2	2988	0	0	0	0.09	
-2991	C3	SLES	1	13.9291	25.2623	12.3263	CTL2	2988	2992	2993	2994	-0.18	
-2992	H31	SLES	1	13.2961	25.2619	13.2415	HAL2	2991	0	0	0	0.09	
-2993	H32	SLES	1	13.676	26.1671	11.7385	HAL2	2991	0	0	0	0.09	
-2994	C4	SLES	1	13.5875	23.9767	11.4645	CTL2	2991	2995	2996	2997	-0.18	
-2995	H41	SLES	1	13.0831	23.2316	12.1145	HAL2	2994	0	0	0	0.09	
-2996	H42	SLES	1	14.5324	23.524	11.0941	HAL2	2994	0	0	0	0.09	
-2997	C5	SLES	1	12.6469	24.3046	10.2184	CTL2	2994	2998	2999	3000	-0.18	
-2998	H51	SLES	1	12.1567	25.2895	10.3828	HAL2	2997	0	0	0	0.09	
-2999	H52	SLES	1	13.2742	24.3834	9.30129	HAL2	2997	0	0	0	0.09	
-3000	C6	SLES	1	11.5342	23.2141	9.98573	CTL2	2997	3001	3002	3003	-0.18	
-3001	H61	SLES	1	10.7672	23.3014	10.7877	HAL2	3000	0	0	0	0.09	
-3002	H62	SLES	1	11.0332	23.4107	9.00912	HAL2	3000	0	0	0	0.09	
-3003	C7	SLES	1	12.1032	21.7599	9.98132	CTL2	3000	3004	3005	3006	-0.18	
-3004	H71	SLES	1	12.2317	21.4175	11.032	HAL2	3003	0	0	0	0.09	
-3005	H72	SLES	1	13.1046	21.7624	9.49592	HAL2	3003	0	0	0	0.09	
-3006	C8	SLES	1	11.1833	20.7614	9.2356	CTL2	3003	3007	3008	3009	-0.18	
-3007	H81	SLES	1	10.131	20.9191	9.56609	HAL2	3006	0	0	0	0.09	
-3008	H82	SLES	1	11.2348	20.9661	8.14196	HAL2	3006	0	0	0	0.09	
-3009	C9	SLES	1	11.5791	19.2859	9.49372	CTL2	3006	3010	3011	3012	-0.18	
-3010	H91	SLES	1	11.556	19.0902	10.5898	HAL2	3009	0	0	0	0.09	
-3011	H92	SLES	1	12.6212	19.1222	9.13756	HAL2	3009	0	0	0	0.09	
-3012	C10	SLES	1	10.6395	18.2835	8.78268	CTL2	3009	3013	3014	3015	-0.18	
-3013	H10	SLES	1	9.60047	18.4314	9.15607	HAL2	3012	0	0	0	0.09	
-3014	H10	SLES	1	10.645	18.4929	7.68899	HAL2	3012	0	0	0	0.09	
-3015	C11	SLES	1	11.0572	16.8077	9.01827	CTL2	3012	3016	3017	3018	-0.18	
-3016	H11	SLES	1	11.0434	16.6014	10.113	HAL2	3015	0	0	0	0.09	
-3017	H11	SLES	1	12.1028	16.6693	8.65984	HAL2	3015	0	0	0	0.09	
-3018	C12	SLES	1	10.1437	15.778	8.30421	CTL3	3015	3019	3020	3021	-0.27	
-3019	H12	SLES	1	9.68138	15.0911	9.04695	HAL3	3018	0	0	0	0.09	
-3020	H12	SLES	1	10.7345	15.173	7.58154	HAL3	3018	0	0	0	0.09	
-3021	H12	SLES	1	9.33245	16.2988	7.75033	HAL3	3018	0	0	0	0.09	
-3022	NA	SLES	1	12.1576	38.231	18.5112	NA	0	0	0	0	1	
-3023	S	SLES	1	9.72615	38.631	15.8133	SL	3024	3025	3026	3027	1.33	
-3024	OS1	SLES	1	10.4027	37.1673	16.2688	OSL	3023	3028	0	0	-0.28	
-3025	OS2	SLES	1	9.07694	39.1653	16.9926	O2L	3023	0	0	0	-0.65	
-3026	OS3	SLES	1	10.8318	39.4841	15.431	O2L	3023	0	0	0	-0.65	
-3027	OS4	SLES	1	8.77105	38.5394	14.7207	O2L	3023	0	0	0	-0.65	
-3028	C2	SLES	1	9.71847	36.0429	15.5703	CC32A	3024	3029	3030	3031	-0.11	
-3029	H2A	SLES	1	8.60925	36.074	15.7596	HCA2	3028	0	0	0	0.09	
-3030	H2B	SLES	1	9.90238	36.1443	14.4648	HCA2	3028	0	0	0	0.09	
-3031	C1	SLES	1	10.3169	34.6519	16.0928	CC32A	3028	3032	3033	3034	-0.01	
-3032	H1B	SLES	1	10.2152	34.5878	17.2007	HCA2	3031	0	0	0	0.09	
-3033	H1A	SLES	1	11.3971	34.5795	15.8264	HCA2	3031	0	0	0	0.09	
-3034	O1	SLES	1	9.73921	33.3754	15.6295	OC30A	3031	3035	0	0	-0.34	
-3035	C2	SLES	1	8.93599	33.4274	14.4317	CC32A	3034	3036	3037	3038	-0.01	
-3036	H2A	SLES	1	8.12241	34.1149	14.7356	HCA2	3035	0	0	0	0.09	
-3037	H2B	SLES	1	9.60523	33.9574	13.7172	HCA2	3035	0	0	0	0.09	
-3038	C1	SLES	1	8.32253	32.1691	13.7407	CC32A	3035	3039	3040	3041	-0.01	
-3039	H1B	SLES	1	7.30527	31.977	14.1461	HCA2	3038	0	0	0	0.09	
-3040	H1A	SLES	1	8.24145	32.3532	12.6507	HCA2	3038	0	0	0	0.09	
-3041	O1	SLES	1	8.8982	30.8282	13.8566	OC30A	3038	3042	0	0	-0.34	
-3042	C1	SLES	1	8.67167	29.9499	12.6942	CTL2	3041	3043	3044	3045	-0.18	
-3043	H11	SLES	1	7.93354	30.4535	12.0441	HAL2	3042	0	0	0	0.09	
-3044	H12	SLES	1	9.66413	29.9847	12.1991	HAL2	3042	0	0	0	0.09	
-3045	C2	SLES	1	8.23942	28.4474	12.9221	CTL2	3042	3046	3047	3048	-0.18	
-3046	H21	SLES	1	8.12296	28.2631	14.0135	HAL2	3045	0	0	0	0.09	
-3047	H22	SLES	1	9.04439	27.7787	12.5459	HAL2	3045	0	0	0	0.09	
-3048	C3	SLES	1	6.86292	28.0839	12.1794	CTL2	3045	3049	3050	3051	-0.18	
-3049	H31	SLES	1	6.04526	28.0442	12.9332	HAL2	3048	0	0	0	0.09	
-3050	H32	SLES	1	6.61955	28.8874	11.456	HAL2	3048	0	0	0	0.09	
-3051	C4	SLES	1	6.92056	26.6993	11.4101	CTL2	3048	3052	3053	3054	-0.18	
-3052	H41	SLES	1	6.39715	25.9297	12.015	HAL2	3051	0	0	0	0.09	
-3053	H42	SLES	1	7.98128	26.3861	11.3013	HAL2	3051	0	0	0	0.09	
-3054	C5	SLES	1	6.25075	26.7716	9.96412	CTL2	3051	3055	3056	3057	-0.18	
-3055	H51	SLES	1	5.59592	27.6693	9.91172	HAL2	3054	0	0	0	0.09	
-3056	H52	SLES	1	7.05183	26.8872	9.19872	HAL2	3054	0	0	0	0.09	
-3057	C6	SLES	1	5.39411	25.4952	9.62005	CTL2	3054	3058	3059	3060	-0.18	
-3058	H61	SLES	1	4.46033	25.5108	10.2258	HAL2	3057	0	0	0	0.09	
-3059	H62	SLES	1	5.10538	25.5323	8.54362	HAL2	3057	0	0	0	0.09	
-3060	C7	SLES	1	6.15768	24.1613	9.89571	CTL2	3057	3061	3062	3063	-0.18	
-3061	H71	SLES	1	6.09255	23.9235	10.9806	HAL2	3060	0	0	0	0.09	
-3062	H72	SLES	1	7.23163	24.2967	9.63756	HAL2	3060	0	0	0	0.09	
-3063	C8	SLES	1	5.58981	22.97	9.0846	CTL2	3060	3064	3065	3066	-0.18	
-3064	H81	SLES	1	4.47846	22.9721	9.16403	HAL2	3063	0	0	0	0.09	
-3065	H82	SLES	1	5.85835	23.0995	8.01142	HAL2	3063	0	0	0	0.09	
-3066	C9	SLES	1	6.13008	21.6053	9.58059	CTL2	3063	3067	3068	3069	-0.18	
-3067	H91	SLES	1	5.88701	21.4896	10.6613	HAL2	3066	0	0	0	0.09	
-3068	H92	SLES	1	7.23831	21.5936	9.47472	HAL2	3066	0	0	0	0.09	
-3069	C10	SLES	1	5.53589	20.4094	8.79937	CTL2	3066	3070	3071	3072	-0.18	
-3070	H10	SLES	1	4.42902	20.4073	8.92435	HAL2	3069	0	0	0	0.09	
-3071	H10	SLES	1	5.75947	20.5358	7.71581	HAL2	3069	0	0	0	0.09	
-3072	C11	SLES	1	6.10236	19.0464	9.27817	CTL2	3069	3073	3074	3075	-0.18	
-3073	H11	SLES	1	5.87022	18.9218	10.3606	HAL2	3072	0	0	0	0.09	
-3074	H11	SLES	1	7.21079	19.0601	9.16809	HAL2	3072	0	0	0	0.09	
-3075	C12	SLES	1	5.53813	17.828	8.50257	CTL3	3072	3076	3077	3078	-0.27	
-3076	H12	SLES	1	5.0255	17.1294	9.20016	HAL3	3075	0	0	0	0.09	
-3077	H12	SLES	1	6.36082	17.2796	7.99286	HAL3	3075	0	0	0	0.09	
-3078	H12	SLES	1	4.8066	18.1626	7.73509	HAL3	3075	0	0	0	0.09	
-3079	NA	SLES	1	1.32835	39.9149	18.8976	NA	0	0	0	0	1	
-3080	S	SLES	1	-0.419184	39.8835	15.6889	SL	3081	3082	3083	3084	1.33	
-3081	OS1	SLES	1	0.346336	38.5542	16.363	OSL	3080	3085	0	0	-0.28	
-3082	OS2	SLES	1	-1.40597	40.3198	16.655	O2L	3080	0	0	0	-0.65	
-3083	OS3	SLES	1	0.600528	40.8997	15.5336	O2L	3080	0	0	0	-0.65	
-3084	OS4	SLES	1	-1.05939	39.6254	14.4091	O2L	3080	0	0	0	-0.65	
-3085	C2	SLES	1	0.0309875	37.3255	15.5812	CC32A	3081	3086	3087	3088	-0.11	
-3086	H2A	SLES	1	-1.08243	37.179	15.5038	HCA2	3085	0	0	0	0.09	
-3087	H2B	SLES	1	0.455982	37.4421	14.5458	HCA2	3085	0	0	0	0.09	
-3088	C1	SLES	1	0.694373	36.0562	16.2985	CC32A	3085	3089	3090	3091	-0.01	
-3089	H1B	SLES	1	0.341925	35.9899	17.3536	HCA2	3088	0	0	0	0.09	
-3090	H1A	SLES	1	1.80483	36.1563	16.2963	HCA2	3088	0	0	0	0.09	
-3091	O1	SLES	1	0.448382	34.6975	15.7776	OC30A	3088	3092	0	0	-0.34	
-3092	C2	SLES	1	-0.0432398	34.6044	14.424	CC32A	3091	3093	3094	3095	-0.01	
-3093	H2A	SLES	1	-1.00194	35.1547	14.4941	HCA2	3092	0	0	0	0.09	
-3094	H2B	SLES	1	0.687401	35.2271	13.8603	HCA2	3092	0	0	0	0.09	
-3095	C1	SLES	1	-0.271905	33.2551	13.6727	CC32A	3092	3096	3097	3098	-0.01	
-3096	H1B	SLES	1	-1.31438	32.9058	13.8379	HCA2	3095	0	0	0	0.09	
-3097	H1A	SLES	1	-0.117396	33.4105	12.5862	HCA2	3095	0	0	0	0.09	
-3098	O1	SLES	1	0.459182	32.0266	13.9874	OC30A	3095	3099	0	0	-0.34	
-3099	C1	SLES	1	0.655529	31.1092	12.8499	CTL2	3098	3100	3101	3102	-0.18	
-3100	H11	SLES	1	0.0256561	31.4789	12.0206	HAL2	3099	0	0	0	0.09	
-3101	H12	SLES	1	1.71994	31.2983	12.5998	HAL2	3099	0	0	0	0.09	
-3102	C2	SLES	1	0.418546	29.5595	13.0455	CTL2	3099	3103	3104	3105	-0.18	
-3103	H21	SLES	1	0.0743478	29.3719	14.0872	HAL2	3102	0	0	0	0.09	
-3104	H22	SLES	1	1.38337	29.0254	12.9023	HAL2	3102	0	0	0	0.09	
-3105	C3	SLES	1	-0.667353	28.969	12.0205	CTL2	3102	3106	3107	3108	-0.18	
-3106	H31	SLES	1	-1.6253	28.8066	12.5629	HAL2	3105	0	0	0	0.09	
-3107	H32	SLES	1	-0.851682	29.7138	11.2207	HAL2	3105	0	0	0	0.09	
-3108	C4	SLES	1	-0.214457	27.6029	11.3566	CTL2	3105	3109	3110	3111	-0.18	
-3109	H41	SLES	1	-0.7421	26.7661	11.8601	HAL2	3108	0	0	0	0.09	
-3110	H42	SLES	1	0.876737	27.4642	11.515	HAL2	3108	0	0	0	0.09	
-3111	C5	SLES	1	-0.521962	27.5484	9.79223	CTL2	3108	3112	3113	3114	-0.18	
-3112	H51	SLES	1	-1.27573	28.3276	9.54296	HAL2	3111	0	0	0	0.09	
-3113	H52	SLES	1	0.411157	27.7829	9.2308	HAL2	3111	0	0	0	0.09	
-3114	C6	SLES	1	-1.06393	26.1461	9.32178	CTL2	3111	3115	3116	3117	-0.18	
-3115	H61	SLES	1	-2.10634	26.0177	9.69052	HAL2	3114	0	0	0	0.09	
-3116	H62	SLES	1	-1.08904	26.123	8.2072	HAL2	3114	0	0	0	0.09	
-3117	C7	SLES	1	-0.191986	24.9568	9.8352	CTL2	3114	3118	3119	3120	-0.18	
-3118	H71	SLES	1	-0.477143	24.7247	10.8852	HAL2	3117	0	0	0	0.09	
-3119	H72	SLES	1	0.878391	25.2611	9.82915	HAL2	3117	0	0	0	0.09	
-3120	C8	SLES	1	-0.35857	23.6796	8.97461	CTL2	3117	3121	3122	3123	-0.18	
-3121	H81	SLES	1	-1.44328	23.5028	8.79147	HAL2	3120	0	0	0	0.09	
-3122	H82	SLES	1	0.135495	23.838	7.98899	HAL2	3120	0	0	0	0.09	
-3123	C9	SLES	1	0.251377	22.4264	9.65122	CTL2	3120	3124	3125	3126	-0.18	
-3124	H91	SLES	1	-0.222203	22.2859	10.6494	HAL2	3123	0	0	0	0.09	
-3125	H92	SLES	1	1.34089	22.593	9.80844	HAL2	3123	0	0	0	0.09	
-3126	C10	SLES	1	0.0531101	21.1409	8.81372	CTL2	3123	3127	3128	3129	-0.18	
-3127	H10	SLES	1	-1.03754	20.9611	8.67607	HAL2	3126	0	0	0	0.09	
-3128	H10	SLES	1	0.507048	21.2886	7.80767	HAL2	3126	0	0	0	0.09	
-3129	C11	SLES	1	0.692018	19.8934	9.4797	CTL2	3126	3130	3131	3132	-0.18	
-3130	H11	SLES	1	0.229882	19.7458	10.4826	HAL2	3129	0	0	0	0.09	
-3131	H11	SLES	1	1.77883	20.0849	9.6316	HAL2	3129	0	0	0	0.09	
-3132	C12	SLES	1	0.524628	18.5904	8.65581	CTL3	3129	3133	3134	3135	-0.27	
-3133	H12	SLES	1	-0.0258133	17.8266	9.2482	HAL3	3132	0	0	0	0.09	
-3134	H12	SLES	1	1.51981	18.1763	8.38106	HAL3	3132	0	0	0	0.09	
-3135	H12	SLES	1	-0.0447754	18.7929	7.72259	HAL3	3132	0	0	0	0.09	
-3136	NA	SLES	1	-9.61077	38.641	19.1465	NA	0	0	0	0	1	
-3137	S	SLES	1	-10.5298	38.5016	15.6129	SL	3138	3139	3140	3141	1.33	
-3138	OS1	SLES	1	-9.73863	37.2742	16.4344	OSL	3137	3142	0	0	-0.28	
-3139	OS2	SLES	1	-11.7726	38.7313	16.3202	O2L	3137	0	0	0	-0.65	
-3140	OS3	SLES	1	-9.68042	39.6695	15.7182	O2L	3137	0	0	0	-0.65	
-3141	OS4	SLES	1	-10.8022	38.2124	14.2141	O2L	3137	0	0	0	-0.65	
-3142	C2	SLES	1	-9.65905	36.0524	15.5851	CC32A	3138	3143	3144	3145	-0.11	
-3143	H2A	SLES	1	-10.6846	35.7399	15.2419	HCA2	3142	0	0	0	0.09	
-3144	H2B	SLES	1	-9.02813	36.2851	14.6829	HCA2	3142	0	0	0	0.09	
-3145	C1	SLES	1	-8.98557	34.8663	16.4249	CC32A	3142	3146	3147	3148	-0.01	
-3146	H1B	SLES	1	-9.55968	34.6934	17.3642	HCA2	3145	0	0	0	0.09	
-3147	H1A	SLES	1	-7.93672	35.1365	16.6895	HCA2	3145	0	0	0	0.09	
-3148	O1	SLES	1	-8.87953	33.5138	15.844	OC30A	3145	3149	0	0	-0.34	
-3149	C2	SLES	1	-9.01889	33.4141	14.411	CC32A	3148	3150	3151	3152	-0.01	
-3150	H2A	SLES	1	-10.0434	33.8056	14.2564	HCA2	3149	0	0	0	0.09	
-3151	H2B	SLES	1	-8.28728	34.1696	14.0459	HCA2	3149	0	0	0	0.09	
-3152	C1	SLES	1	-8.84385	32.0851	13.6107	CC32A	3149	3153	3154	3155	-0.01	
-3153	H1B	SLES	1	-9.82533	31.5713	13.5175	HCA2	3152	0	0	0	0.09	
-3154	H1A	SLES	1	-8.46654	32.3169	12.5946	HCA2	3152	0	0	0	0.09	
-3155	O1	SLES	1	-8.01781	30.9699	14.0762	OC30A	3152	3156	0	0	-0.34	
-3156	C1	SLES	1	-7.41483	30.1522	13.0077	CTL2	3155	3157	3158	3159	-0.18	
-3157	H11	SLES	1	-7.88435	30.4614	12.0563	HAL2	3156	0	0	0	0.09	
-3158	H12	SLES	1	-6.36649	30.5156	13.0217	HAL2	3156	0	0	0	0.09	
-3159	C2	SLES	1	-7.43695	28.5766	13.1223	CTL2	3156	3160	3161	3162	-0.18	
-3160	H21	SLES	1	-7.98041	28.286	14.0491	HAL2	3159	0	0	0	0.09	
-3161	H22	SLES	1	-6.39207	28.2057	13.2075	HAL2	3159	0	0	0	0.09	
-3162	C3	SLES	1	-8.14243	27.8779	11.8603	CTL2	3159	3163	3164	3165	-0.18	
-3163	H31	SLES	1	-9.16145	27.5425	12.1559	HAL2	3162	0	0	0	0.09	
-3164	H32	SLES	1	-8.25248	28.6245	11.0487	HAL2	3162	0	0	0	0.09	
-3165	C4	SLES	1	-7.33174	26.6331	11.3076	CTL2	3162	3166	3167	3168	-0.18	
-3166	H41	SLES	1	-7.81998	25.7007	11.6601	HAL2	3165	0	0	0	0.09	
-3167	H42	SLES	1	-6.30031	26.6567	11.7206	HAL2	3165	0	0	0	0.09	
-3168	C5	SLES	1	-7.25151	26.6105	9.7145	CTL2	3165	3169	3170	3171	-0.18	
-3169	H51	SLES	1	-8.04187	27.2755	9.30163	HAL2	3168	0	0	0	0.09	
-3170	H52	SLES	1	-6.26352	27.0141	9.39535	HAL2	3168	0	0	0	0.09	
-3171	C6	SLES	1	-7.43397	25.1668	9.11125	CTL2	3168	3172	3173	3174	-0.18	
-3172	H61	SLES	1	-8.4988	24.8607	9.21845	HAL2	3171	0	0	0	0.09	
-3173	H62	SLES	1	-7.1934	25.1961	8.0228	HAL2	3171	0	0	0	0.09	
-3174	C7	SLES	1	-6.52577	24.102	9.8039	CTL2	3171	3175	3176	3177	-0.18	
-3175	H71	SLES	1	-7.00738	23.7763	10.7524	HAL2	3174	0	0	0	0.09	
-3176	H72	SLES	1	-5.54749	24.5678	10.0576	HAL2	3174	0	0	0	0.09	
-3177	C8	SLES	1	-6.27729	22.8593	8.91312	CTL2	3174	3178	3179	3180	-0.18	
-3178	H81	SLES	1	-7.24565	22.5266	8.4738	HAL2	3177	0	0	0	0.09	
-3179	H82	SLES	1	-5.59857	23.1414	8.07622	HAL2	3177	0	0	0	0.09	
-3180	C9	SLES	1	-5.64812	21.6829	9.70081	CTL2	3177	3181	3182	3183	-0.18	
-3181	H91	SLES	1	-6.31304	21.421	10.555	HAL2	3180	0	0	0	0.09	
-3182	H92	SLES	1	-4.66743	22.0075	10.116	HAL2	3180	0	0	0	0.09	
-3183	C10	SLES	1	-5.43406	20.4258	8.82477	CTL2	3180	3184	3185	3186	-0.18	
-3184	H10	SLES	1	-6.4183	20.0871	8.42816	HAL2	3183	0	0	0	0.09	
-3185	H10	SLES	1	-4.78731	20.6923	7.9583	HAL2	3183	0	0	0	0.09	
-3186	C11	SLES	1	-4.77555	19.26	9.60912	CTL2	3183	3187	3188	3189	-0.18	
-3187	H11	SLES	1	-5.42947	18.9927	10.4706	HAL2	3186	0	0	0	0.09	
-3188	H11	SLES	1	-3.80024	19.6091	10.0188	HAL2	3186	0	0	0	0.09	
-3189	C12	SLES	1	-4.53227	17.9899	8.75347	CTL3	3186	3190	3191	3192	-0.27	
-3190	H12	SLES	1	-5.07499	17.1215	9.18781	HAL3	3189	0	0	0	0.09	
-3191	H12	SLES	1	-3.4469	17.7487	8.71968	HAL3	3189	0	0	0	0.09	
-3192	H12	SLES	1	-4.89245	18.1488	7.71368	HAL3	3189	0	0	0	0.09	
-3193	NA	SLES	1	-19.8359	34.4733	19.2409	NA	0	0	0	0	1	
-3194	S	SLES	1	-19.944	34.586	15.5904	SL	3195	3196	3197	3198	1.33	
-3195	OS1	SLES	1	-19.1509	33.4068	16.478	OSL	3194	3199	0	0	-0.28	
-3196	OS2	SLES	1	-21.3294	34.5509	16.0108	O2L	3194	0	0	0	-0.65	
-3197	OS3	SLES	1	-19.3456	35.8481	15.972	O2L	3194	0	0	0	-0.65	
-3198	OS4	SLES	1	-19.8593	34.4141	14.1489	O2L	3194	0	0	0	-0.65	
-3199	C2	SLES	1	-18.6876	32.3103	15.5817	CC32A	3195	3200	3201	3202	-0.11	
-3200	H2A	SLES	1	-19.5488	31.8889	14.9919	HCA2	3199	0	0	0	0.09	
-3201	H2B	SLES	1	-17.9273	32.7307	14.8666	HCA2	3199	0	0	0	0.09	
-3202	C1	SLES	1	-18.0187	31.1522	16.4634	CC32A	3199	3203	3204	3205	-0.01	
-3203	H1B	SLES	1	-18.7423	30.7949	17.2318	HCA2	3202	0	0	0	0.09	
-3204	H1A	SLES	1	-17.1111	31.544	16.9791	HCA2	3202	0	0	0	0.09	
-3205	O1	SLES	1	-17.5651	29.9018	15.824	OC30A	3202	3206	0	0	-0.34	
-3206	C2	SLES	1	-17.3771	29.9396	14.3937	CC32A	3205	3207	3208	3209	-0.01	
-3207	H2A	SLES	1	-18.3961	30.1899	14.0389	HCA2	3206	0	0	0	0.09	
-3208	H2B	SLES	1	-16.7224	30.8302	14.2614	HCA2	3206	0	0	0	0.09	
-3209	C1	SLES	1	-16.8143	28.7465	13.5588	CC32A	3206	3210	3211	3212	-0.01	
-3210	H1B	SLES	1	-17.6525	28.1065	13.2069	HCA2	3209	0	0	0	0.09	
-3211	H1A	SLES	1	-16.2736	29.141	12.6752	HCA2	3209	0	0	0	0.09	
-3212	O1	SLES	1	-15.9307	27.7215	14.117	OC30A	3209	3213	0	0	-0.34	
-3213	C1	SLES	1	-14.985	27.1235	13.1568	CTL2	3212	3214	3215	3216	-0.18	
-3214	H11	SLES	1	-15.2862	27.4618	12.1489	HAL2	3213	0	0	0	0.09	
-3215	H12	SLES	1	-14.0403	27.6341	13.436	HAL2	3213	0	0	0	0.09	
-3216	C2	SLES	1	-14.7654	25.5589	13.1472	CTL2	3213	3217	3218	3219	-0.18	
-3217	H21	SLES	1	-15.4371	25.0918	13.9019	HAL2	3216	0	0	0	0.09	
-3218	H22	SLES	1	-13.7156	25.3395	13.4408	HAL2	3216	0	0	0	0.09	
-3219	C3	SLES	1	-15.0578	24.9055	11.7098	CTL2	3216	3220	3221	3222	-0.18	
-3220	H31	SLES	1	-16.0451	24.393	11.74	HAL2	3219	0	0	0	0.09	
-3221	H32	SLES	1	-15.1165	25.7118	10.9516	HAL2	3219	0	0	0	0.09	
-3222	C4	SLES	1	-13.9502	23.8621	11.2663	CTL2	3219	3223	3224	3225	-0.18	
-3223	H41	SLES	1	-14.3382	22.8349	11.4288	HAL2	3222	0	0	0	0.09	
-3224	H42	SLES	1	-13.0496	23.9927	11.9041	HAL2	3222	0	0	0	0.09	
-3225	C5	SLES	1	-13.5297	24.0255	9.73622	CTL2	3222	3226	3227	3228	-0.18	
-3226	H51	SLES	1	-14.3143	24.6075	9.20417	HAL2	3225	0	0	0	0.09	
-3227	H52	SLES	1	-12.5788	24.6032	9.68115	HAL2	3225	0	0	0	0.09	
-3228	C6	SLES	1	-13.3337	22.6453	9.00279	CTL2	3225	3229	3230	3231	-0.18	
-3229	H61	SLES	1	-14.3298	22.1753	8.84175	HAL2	3228	0	0	0	0.09	
-3230	H62	SLES	1	-12.8751	22.8285	8.00297	HAL2	3228	0	0	0	0.09	
-3231	C7	SLES	1	-12.4279	21.6573	9.80395	CTL2	3228	3232	3233	3234	-0.18	
-3232	H71	SLES	1	-13.0387	21.1624	10.5912	HAL2	3231	0	0	0	0.09	
-3233	H72	SLES	1	-11.6189	22.232	10.3074	HAL2	3231	0	0	0	0.09	
-3234	C8	SLES	1	-11.7897	20.5697	8.90432	CTL2	3231	3235	3236	3237	-0.18	
-3235	H81	SLES	1	-12.5721	20.1475	8.23268	HAL2	3234	0	0	0	0.09	
-3236	H82	SLES	1	-11.0057	21.0386	8.26714	HAL2	3234	0	0	0	0.09	
-3237	C9	SLES	1	-11.154	19.4203	9.72596	CTL2	3234	3238	3239	3240	-0.18	
-3238	H91	SLES	1	-11.9318	18.9714	10.3846	HAL2	3237	0	0	0	0.09	
-3239	H92	SLES	1	-10.3533	19.8391	10.3764	HAL2	3237	0	0	0	0.09	
-3240	C10	SLES	1	-10.5496	18.3119	8.83175	CTL2	3237	3241	3242	3243	-0.18	
-3241	H10	SLES	1	-11.3553	17.8767	8.19751	HAL2	3240	0	0	0	0.09	
-3242	H10	SLES	1	-9.78739	18.764	8.15744	HAL2	3240	0	0	0	0.09	
-3243	C11	SLES	1	-9.88672	17.1777	9.65761	CTL2	3240	3244	3245	3246	-0.18	
-3244	H11	SLES	1	-10.6546	16.7243	10.3253	HAL2	3243	0	0	0	0.09	
-3245	H11	SLES	1	-9.09416	17.6203	10.3033	HAL2	3243	0	0	0	0.09	
-3246	C12	SLES	1	-9.25638	16.0585	8.7889	CTL3	3243	3247	3248	3249	-0.27	
-3247	H12	SLES	1	-9.72504	15.0773	9.0231	HAL3	3246	0	0	0	0.09	
-3248	H12	SLES	1	-8.16399	15.9855	8.98566	HAL3	3246	0	0	0	0.09	
-3249	H12	SLES	1	-9.40818	16.2749	7.70896	HAL3	3246	0	0	0	0.09	
-3250	NA	SLES	1	-28.571	27.715	19.1743	NA	0	0	0	0	1	
-3251	S	SLES	1	-28.0468	28.3957	15.6229	SL	3252	3253	3254	3255	1.33	
-3252	OS1	SLES	1	-27.233	27.216	16.4909	OSL	3251	3256	0	0	-0.28	
-3253	OS2	SLES	1	-29.4578	28.0943	15.748	O2L	3251	0	0	0	-0.65	
-3254	OS3	SLES	1	-27.752	29.653	16.2778	O2L	3251	0	0	0	-0.65	
-3255	OS4	SLES	1	-27.6792	28.4715	14.2181	O2L	3251	0	0	0	-0.65	
-3256	C2	SLES	1	-26.4362	26.3559	15.5713	CC32A	3252	3257	3258	3259	-0.11	
-3257	H2A	SLES	1	-27.0934	25.9151	14.7707	HCA2	3256	0	0	0	0.09	
-3258	H2B	SLES	1	-25.6449	26.9907	15.0845	HCA2	3256	0	0	0	0.09	
-3259	C1	SLES	1	-25.7453	25.1799	16.4113	CC32A	3256	3260	3261	3262	-0.01	
-3260	H1B	SLES	1	-26.5214	24.6034	16.9654	HCA2	3259	0	0	0	0.09	
-3261	H1A	SLES	1	-25.025	25.6104	17.1454	HCA2	3259	0	0	0	0.09	
-3262	O1	SLES	1	-24.977	24.1269	15.7192	OC30A	3259	3263	0	0	-0.34	
-3263	C2	SLES	1	-24.5473	24.4205	14.3732	CC32A	3262	3264	3265	3266	-0.01	
-3264	H2A	SLES	1	-25.5147	24.5751	13.8564	HCA2	3263	0	0	0	0.09	
-3265	H2B	SLES	1	-24.0427	25.4057	14.4921	HCA2	3263	0	0	0	0.09	
-3266	C1	SLES	1	-23.6483	23.4706	13.5206	CC32A	3263	3267	3268	3269	-0.01	
-3267	H1B	SLES	1	-24.2878	22.7814	12.9272	HCA2	3266	0	0	0	0.09	
-3268	H1A	SLES	1	-23.0355	24.0756	12.8227	HCA2	3266	0	0	0	0.09	
-3269	O1	SLES	1	-22.7149	22.5075	14.107	OC30A	3266	3270	0	0	-0.34	
-3270	C1	SLES	1	-21.5251	22.2139	13.2872	CTL2	3269	3271	3272	3273	-0.18	
-3271	H11	SLES	1	-21.6962	22.6627	12.292	HAL2	3270	0	0	0	0.09	
-3272	H12	SLES	1	-20.7472	22.8038	13.8145	HAL2	3270	0	0	0	0.09	
-3273	C2	SLES	1	-21.0413	20.7193	13.1185	CTL2	3270	3274	3275	3276	-0.18	
-3274	H21	SLES	1	-21.7457	20.0453	13.6555	HAL2	3273	0	0	0	0.09	
-3275	H22	SLES	1	-20.0384	20.6091	13.5861	HAL2	3273	0	0	0	0.09	
-3276	C3	SLES	1	-20.9569	20.27	11.5792	CTL2	3273	3277	3278	3279	-0.18	
-3277	H31	SLES	1	-21.8306	19.6225	11.3434	HAL2	3276	0	0	0	0.09	
-3278	H32	SLES	1	-21.0178	21.1705	10.9361	HAL2	3276	0	0	0	0.09	
-3279	C4	SLES	1	-19.6253	19.4819	11.2357	CTL2	3276	3280	3281	3282	-0.18	
-3280	H41	SLES	1	-19.8533	18.3969	11.182	HAL2	3279	0	0	0	0.09	
-3281	H42	SLES	1	-18.8884	19.6367	12.053	HAL2	3279	0	0	0	0.09	
-3282	C5	SLES	1	-18.9742	19.9477	9.85591	CTL2	3279	3283	3284	3285	-0.18	
-3283	H51	SLES	1	-19.7402	20.4884	9.25723	HAL2	3282	0	0	0	0.09	
-3284	H52	SLES	1	-18.1425	20.6576	10.0687	HAL2	3282	0	0	0	0.09	
-3285	C6	SLES	1	-18.4164	18.746	9.00381	CTL2	3282	3286	3287	3288	-0.18	
-3286	H61	SLES	1	-19.2721	18.1694	8.58608	HAL2	3285	0	0	0	0.09	
-3287	H62	SLES	1	-17.8261	19.1514	8.14907	HAL2	3285	0	0	0	0.09	
-3288	C7	SLES	1	-17.5111	17.7831	9.83534	CTL2	3285	3289	3290	3291	-0.18	
-3289	H71	SLES	1	-18.1575	17.0854	10.4126	HAL2	3288	0	0	0	0.09	
-3290	H72	SLES	1	-16.9155	18.38	10.5616	HAL2	3288	0	0	0	0.09	
-3291	C8	SLES	1	-16.5457	16.9575	8.94882	CTL2	3288	3292	3293	3294	-0.18	
-3292	H81	SLES	1	-17.1117	16.5403	8.08453	HAL2	3291	0	0	0	0.09	
-3293	H82	SLES	1	-15.7535	17.6306	8.54876	HAL2	3291	0	0	0	0.09	
-3294	C9	SLES	1	-15.8778	15.7948	9.72497	CTL2	3291	3295	3296	3297	-0.18	
-3295	H91	SLES	1	-16.6712	15.1387	10.1497	HAL2	3294	0	0	0	0.09	
-3296	H92	SLES	1	-15.2895	16.2146	10.5719	HAL2	3294	0	0	0	0.09	
-3297	C10	SLES	1	-14.9426	14.9431	8.8342	CTL2	3294	3298	3299	3300	-0.18	
-3298	H10	SLES	1	-15.5357	14.504	7.99984	HAL2	3297	0	0	0	0.09	
-3299	H10	SLES	1	-14.1621	15.6026	8.39151	HAL2	3297	0	0	0	0.09	
-3300	C11	SLES	1	-14.2517	13.7985	9.62188	CTL2	3297	3301	3302	3303	-0.18	
-3301	H11	SLES	1	-15.0363	13.1379	10.0569	HAL2	3300	0	0	0	0.09	
-3302	H11	SLES	1	-13.6746	14.2412	10.4656	HAL2	3300	0	0	0	0.09	
-3303	C12	SLES	1	-13.294	12.9359	8.75969	CTL3	3300	3304	3305	3306	-0.27	
-3304	H12	SLES	1	-13.6208	11.8727	8.76529	HAL3	3303	0	0	0	0.09	
-3305	H12	SLES	1	-12.2579	12.9904	9.16087	HAL3	3303	0	0	0	0.09	
-3306	H12	SLES	1	-13.2865	13.2988	7.70876	HAL3	3303	0	0	0	0.09	
-3307	NA	SLES	1	-35.1618	18.8832	18.9514	NA	0	0	0	0	1	
-3308	S	SLES	1	-34.3054	20.3323	15.7083	SL	3309	3310	3311	3312	1.33	
-3309	OS1	SLES	1	-33.4205	19.1319	16.4722	OSL	3308	3313	0	0	-0.28	
-3310	OS2	SLES	1	-35.6476	19.8119	15.5497	O2L	3308	0	0	0	-0.65	
-3311	OS3	SLES	1	-34.3191	21.4613	16.6148	O2L	3308	0	0	0	-0.65	
-3312	OS4	SLES	1	-33.7769	20.7412	14.4169	O2L	3308	0	0	0	-0.65	
-3313	C2	SLES	1	-32.3749	18.5982	15.5546	CC32A	3309	3314	3315	3316	-0.11	
-3314	H2A	SLES	1	-32.8366	18.2374	14.5935	HCA2	3313	0	0	0	0.09	
-3315	H2B	SLES	1	-31.6482	19.4252	15.3217	HCA2	3313	0	0	0	0.09	
-3316	C1	SLES	1	-31.607	17.3894	16.2722	CC32A	3313	3317	3318	3319	-0.01	
-3317	H1B	SLES	1	-32.3376	16.6076	16.5832	HCA2	3316	0	0	0	0.09	
-3318	H1A	SLES	1	-31.0732	17.7627	17.1771	HCA2	3316	0	0	0	0.09	
-3319	O1	SLES	1	-30.5856	16.619	15.5366	OC30A	3316	3320	0	0	-0.34	
-3320	C2	SLES	1	-30.0415	17.236	14.3508	CC32A	3319	3321	3322	3323	-0.01	
-3321	H2A	SLES	1	-30.9456	17.3504	13.7212	HCA2	3320	0	0	0	0.09	
-3322	H2B	SLES	1	-29.7339	18.2394	14.7223	HCA2	3320	0	0	0	0.09	
-3323	C1	SLES	1	-28.8894	16.6165	13.4987	CC32A	3320	3324	3325	3326	-0.01	
-3324	H1B	SLES	1	-29.3181	15.9759	12.6975	HCA2	3323	0	0	0	0.09	
-3325	H1A	SLES	1	-28.3044	17.4313	13.027	HCA2	3323	0	0	0	0.09	
-3326	O1	SLES	1	-27.8884	15.6998	14.0469	OC30A	3323	3327	0	0	-0.34	
-3327	C1	SLES	1	-26.5695	15.7516	13.3898	CTL2	3326	3328	3329	3330	-0.18	
-3328	H11	SLES	1	-26.6844	16.362	12.4757	HAL2	3327	0	0	0	0.09	
-3329	H12	SLES	1	-25.98	16.3292	14.1315	HAL2	3327	0	0	0	0.09	
-3330	C2	SLES	1	-25.8179	14.4071	13.0383	CTL2	3327	3331	3332	3333	-0.18	
-3331	H21	SLES	1	-26.4595	13.5446	13.3269	HAL2	3330	0	0	0	0.09	
-3332	H22	SLES	1	-24.8804	14.3508	13.6338	HAL2	3330	0	0	0	0.09	
-3333	C3	SLES	1	-25.458	14.2934	11.4775	CTL2	3330	3334	3335	3336	-0.18	
-3334	H31	SLES	1	-26.169	13.5875	10.9933	HAL2	3333	0	0	0	0.09	
-3335	H32	SLES	1	-25.5889	15.2864	11.0033	HAL2	3333	0	0	0	0.09	
-3336	C4	SLES	1	-23.9774	13.7906	11.2178	CTL2	3333	3337	3338	3339	-0.18	
-3337	H41	SLES	1	-24.0063	12.7173	10.9363	HAL2	3336	0	0	0	0.09	
-3338	H42	SLES	1	-23.3908	13.8825	12.1572	HAL2	3336	0	0	0	0.09	
-3339	C5	SLES	1	-23.2425	14.6132	10.0654	CTL2	3336	3340	3341	3342	-0.18	
-3340	H51	SLES	1	-24.0057	15.1471	9.45719	HAL2	3339	0	0	0	0.09	
-3341	H52	SLES	1	-22.5803	15.378	10.5317	HAL2	3339	0	0	0	0.09	
-3342	C6	SLES	1	-22.3802	13.7004	9.11423	CTL2	3339	3343	3344	3345	-0.18	
-3343	H61	SLES	1	-23.0622	13.1025	8.46886	HAL2	3342	0	0	0	0.09	
-3344	H62	SLES	1	-21.7625	14.3502	8.45115	HAL2	3342	0	0	0	0.09	
-3345	C7	SLES	1	-21.4385	12.7307	9.89594	CTL2	3342	3346	3347	3348	-0.18	
-3346	H71	SLES	1	-22.0247	11.8456	10.2287	HAL2	3345	0	0	0	0.09	
-3347	H72	SLES	1	-21.0542	13.2488	10.8027	HAL2	3345	0	0	0	0.09	
-3348	C8	SLES	1	-20.2385	12.248	9.04357	CTL2	3345	3349	3350	3351	-0.18	
-3349	H81	SLES	1	-20.6071	11.9361	8.03945	HAL2	3348	0	0	0	0.09	
-3350	H82	SLES	1	-19.5288	13.0947	8.90189	HAL2	3348	0	0	0	0.09	
-3351	C9	SLES	1	-19.487	11.0616	9.6979	CTL2	3348	3352	3353	3354	-0.18	
-3352	H91	SLES	1	-20.204	10.2262	9.86632	HAL2	3351	0	0	0	0.09	
-3353	H92	SLES	1	-19.095	11.3828	10.6892	HAL2	3351	0	0	0	0.09	
-3354	C10	SLES	1	-18.3115	10.5502	8.83194	CTL2	3351	3355	3356	3357	-0.18	
-3355	H10	SLES	1	-18.7065	10.207	7.84862	HAL2	3354	0	0	0	0.09	
-3356	H10	SLES	1	-17.6053	11.3906	8.64457	HAL2	3354	0	0	0	0.09	
-3357	C11	SLES	1	-17.5422	9.38231	9.50435	CTL2	3354	3358	3359	3360	-0.18	
-3358	H11	SLES	1	-18.2512	8.5418	9.6834	HAL2	3357	0	0	0	0.09	
-3359	H11	SLES	1	-17.1646	9.72472	10.4949	HAL2	3357	0	0	0	0.09	
-3360	C12	SLES	1	-16.3465	8.85786	8.66782	CTL3	3357	3361	3362	3363	-0.27	
-3361	H12	SLES	1	-16.4833	7.77944	8.43195	HAL3	3360	0	0	0	0.09	
-3362	H12	SLES	1	-15.3964	8.97924	9.23336	HAL3	3360	0	0	0	0.09	
-3363	H12	SLES	1	-16.2651	9.42178	7.7131	HAL3	3360	0	0	0	0.09	
-3364	NA	SLES	1	-39.1361	8.65807	18.5873	NA	0	0	0	0	1	
-3365	S	SLES	1	-38.2998	10.9182	15.8408	SL	3366	3367	3368	3369	1.33	
-3366	OS1	SLES	1	-37.2841	9.71965	16.4232	OSL	3365	3370	0	0	-0.28	
-3367	OS2	SLES	1	-39.5199	10.2551	15.4294	O2L	3365	0	0	0	-0.65	
-3368	OS3	SLES	1	-38.57	11.7962	16.96	O2L	3365	0	0	0	-0.65	
-3369	OS4	SLES	1	-37.7542	11.6841	14.7317	O2L	3365	0	0	0	-0.65	
-3370	C2	SLES	1	-36.0989	9.56968	15.5327	CC32A	3366	3371	3372	3373	-0.11	
-3371	H2A	SLES	1	-36.4214	9.37318	14.4722	HCA2	3370	0	0	0	0.09	
-3372	H2B	SLES	1	-35.5067	10.5261	15.5621	HCA2	3370	0	0	0	0.09	
-3373	C1	SLES	1	-35.1933	8.35631	16.0555	CC32A	3370	3374	3375	3376	-0.01	
-3374	H1B	SLES	1	-35.8027	7.42502	16.1112	HCA2	3373	0	0	0	0.09	
-3375	H1A	SLES	1	-34.798	8.58829	17.0719	HCA2	3373	0	0	0	0.09	
-3376	O1	SLES	1	-34.0055	7.93343	15.2886	OC30A	3373	3377	0	0	-0.34	
-3377	C2	SLES	1	-33.4874	8.87783	14.3282	CC32A	3376	3378	3379	3380	-0.01	
-3378	H2A	SLES	1	-34.349	8.99771	13.6426	HCA2	3377	0	0	0	0.09	
-3379	H2B	SLES	1	-33.3813	9.80428	14.9363	HCA2	3377	0	0	0	0.09	
-3380	C1	SLES	1	-32.1879	8.64608	13.4946	CC32A	3377	3381	3382	3383	-0.01	
-3381	H1B	SLES	1	-32.4425	8.14875	12.5334	HCA2	3380	0	0	0	0.09	
-3382	H1A	SLES	1	-31.7154	9.62418	13.2741	HCA2	3380	0	0	0	0.09	
-3383	O1	SLES	1	-31.0899	7.7869	13.9407	OC30A	3380	3384	0	0	-0.34	
-3384	C1	SLES	1	-29.7538	8.18138	13.4577	CTL2	3383	3385	3386	3387	-0.18	
-3385	H11	SLES	1	-29.9024	8.96008	12.6878	HAL2	3384	0	0	0	0.09	
-3386	H12	SLES	1	-29.3261	8.65541	14.3652	HAL2	3384	0	0	0	0.09	
-3387	C2	SLES	1	-28.7628	7.07858	12.9119	CTL2	3384	3388	3389	3390	-0.18	
-3388	H21	SLES	1	-29.2695	6.08794	12.9383	HAL2	3387	0	0	0	0.09	
-3389	H22	SLES	1	-27.8756	7.02728	13.5804	HAL2	3387	0	0	0	0.09	
-3390	C3	SLES	1	-28.2751	7.37801	11.4116	CTL2	3387	3391	3392	3393	-0.18	
-3391	H31	SLES	1	-28.8196	6.7039	10.7134	HAL2	3390	0	0	0	0.09	
-3392	H32	SLES	1	-28.5362	8.42243	11.1484	HAL2	3390	0	0	0	0.09	
-3393	C4	SLES	1	-26.7161	7.17212	11.2139	CTL2	3390	3394	3395	3396	-0.18	
-3394	H41	SLES	1	-26.543	6.199	10.7087	HAL2	3393	0	0	0	0.09	
-3395	H42	SLES	1	-26.2239	7.13321	12.2095	HAL2	3393	0	0	0	0.09	
-3396	C5	SLES	1	-26.0474	8.33498	10.3505	CTL2	3393	3397	3398	3399	-0.18	
-3397	H51	SLES	1	-26.8428	8.87461	9.79042	HAL2	3396	0	0	0	0.09	
-3398	H52	SLES	1	-25.5595	9.06274	11.0384	HAL2	3396	0	0	0	0.09	
-3399	C6	SLES	1	-24.9762	7.80074	9.32653	CTL2	3396	3400	3401	3402	-0.18	
-3400	H61	SLES	1	-25.4984	7.27156	8.4981	HAL2	3399	0	0	0	0.09	
-3401	H62	SLES	1	-24.4296	8.66846	8.88861	HAL2	3399	0	0	0	0.09	
-3402	C7	SLES	1	-23.9447	6.82853	9.98161	CTL2	3399	3403	3404	3405	-0.18	
-3403	H71	SLES	1	-24.3963	5.81421	10.0521	HAL2	3402	0	0	0	0.09	
-3404	H72	SLES	1	-23.7208	7.17738	11.0143	HAL2	3402	0	0	0	0.09	
-3405	C8	SLES	1	-22.6212	6.73558	9.18212	CTL2	3402	3406	3407	3408	-0.18	
-3406	H81	SLES	1	-22.8571	6.60969	8.10051	HAL2	3405	0	0	0	0.09	
-3407	H82	SLES	1	-22.0557	7.68766	9.30244	HAL2	3405	0	0	0	0.09	
-3408	C9	SLES	1	-21.7309	5.55578	9.6466	CTL2	3405	3409	3410	3411	-0.18	
-3409	H91	SLES	1	-22.3073	4.60741	9.55386	HAL2	3408	0	0	0	0.09	
-3410	H92	SLES	1	-21.4725	5.69698	10.7203	HAL2	3408	0	0	0	0.09	
-3411	C10	SLES	1	-20.4255	5.43467	8.82513	CTL2	3408	3412	3413	3414	-0.18	
-3412	H10	SLES	1	-20.6838	5.27002	7.75416	HAL2	3411	0	0	0	0.09	
-3413	H10	SLES	1	-19.8591	6.39056	8.89936	HAL2	3411	0	0	0	0.09	
-3414	C11	SLES	1	-19.5222	4.27114	9.31304	CTL2	3411	3415	3416	3417	-0.18	
-3415	H11	SLES	1	-20.0907	3.31664	9.23039	HAL2	3414	0	0	0	0.09	
-3416	H11	SLES	1	-19.2814	4.43081	10.3889	HAL2	3414	0	0	0	0.09	
-3417	C12	SLES	1	-18.197	4.13375	8.51956	CTL3	3414	3418	3419	3420	-0.27	
-3418	H12	SLES	1	-18.1325	3.12939	8.04581	HAL3	3417	0	0	0	0.09	
-3419	H12	SLES	1	-17.325	4.26214	9.1982	HAL3	3417	0	0	0	0.09	
-3420	H12	SLES	1	-18.1417	4.90604	7.72166	HAL3	3417	0	0	0	0.09	
-3421	NA	SLES	1	-40.2425	-2.18434	18.1068	NA	0	0	0	0	1	
-3422	S	SLES	1	-39.75	0.768073	16.0113	SL	3423	3424	3425	3426	1.33	
-3423	OS1	SLES	1	-38.5607	-0.363386	16.3473	OSL	3422	3427	0	0	-0.28	
-3424	OS2	SLES	1	-40.8416	0.0424865	15.3953	O2L	3422	0	0	0	-0.65	
-3425	OS3	SLES	1	-40.1722	1.30044	17.2899	O2L	3422	0	0	0	-0.65	
-3426	OS4	SLES	1	-39.3222	1.85171	15.1411	O2L	3422	0	0	0	-0.65	
-3427	C2	SLES	1	-37.3563	-0.111291	15.507	CC32A	3423	3428	3429	3430	-0.11	
-3428	H2A	SLES	1	-37.6299	-0.0958529	14.4152	HCA2	3427	0	0	0	0.09	
-3429	H2B	SLES	1	-36.9271	0.889903	15.7892	HCA2	3427	0	0	0	0.09	
-3430	C1	SLES	1	-36.2726	-1.25975	15.7762	CC32A	3427	3431	3432	3433	-0.01	
-3431	H1B	SLES	1	-36.7238	-2.2599	15.5816	HCA2	3430	0	0	0	0.09	
-3432	H1A	SLES	1	-35.9323	-1.2194	16.8372	HCA2	3430	0	0	0	0.09	
-3433	O1	SLES	1	-35.0228	-1.29844	14.9923	OC30A	3430	3434	0	0	-0.34	
-3434	C2	SLES	1	-34.6529	-0.0835074	14.3069	CC32A	3433	3435	3436	3437	-0.01	
-3435	H2A	SLES	1	-35.5143	0.0623772	13.626	HCA2	3434	0	0	0	0.09	
-3436	H2B	SLES	1	-34.7055	0.675615	15.1195	HCA2	3434	0	0	0	0.09	
-3437	C1	SLES	1	-33.3231	0.0942148	13.5086	CC32A	3434	3438	3439	3440	-0.01	
-3438	H1B	SLES	1	-33.4823	-0.192016	12.4461	HCA2	3437	0	0	0	0.09	
-3439	H1A	SLES	1	-33.0125	1.15752	13.5472	HCA2	3437	0	0	0	0.09	
-3440	O1	SLES	1	-32.106	-0.666656	13.7958	OC30A	3437	3441	0	0	-0.34	
-3441	C1	SLES	1	-30.8457	0.0332149	13.4862	CTL2	3440	3442	3443	3444	-0.18	
-3442	H11	SLES	1	-31.109	0.940877	12.9136	HAL2	3441	0	0	0	0.09	
-3443	H12	SLES	1	-30.5113	0.336632	14.4998	HAL2	3441	0	0	0	0.09	
-3444	C2	SLES	1	-29.6827	-0.740536	12.748	CTL2	3441	3445	3446	3447	-0.18	
-3445	H21	SLES	1	-30.0226	-1.77472	12.5163	HAL2	3444	0	0	0	0.09	
-3446	H22	SLES	1	-28.807	-0.812638	13.4296	HAL2	3444	0	0	0	0.09	
-3447	C3	SLES	1	-29.2319	-0.0194775	11.3859	CTL2	3444	3448	3449	3450	-0.18	
-3448	H31	SLES	1	-29.6516	-0.582784	10.5229	HAL2	3447	0	0	0	0.09	
-3449	H32	SLES	1	-29.6554	1.00439	11.3618	HAL2	3447	0	0	0	0.09	
-3450	C4	SLES	1	-27.6578	0.0710401	11.2241	CTL2	3447	3451	3452	3453	-0.18	
-3451	H41	SLES	1	-27.3234	-0.714336	10.5145	HAL2	3450	0	0	0	0.09	
-3452	H42	SLES	1	-27.1779	-0.128388	12.2064	HAL2	3450	0	0	0	0.09	
-3453	C5	SLES	1	-27.1758	1.49546	10.6916	CTL2	3450	3454	3455	3456	-0.18	
-3454	H51	SLES	1	-28.0412	2.02394	10.2342	HAL2	3453	0	0	0	0.09	
-3455	H52	SLES	1	-26.8205	2.10392	11.5544	HAL2	3453	0	0	0	0.09	
-3456	C6	SLES	1	-26.02	1.39347	9.62624	CTL2	3453	3457	3458	3459	-0.18	
-3457	H61	SLES	1	-26.4397	1.00367	8.67178	HAL2	3456	0	0	0	0.09	
-3458	H62	SLES	1	-25.6158	2.41437	9.43165	HAL2	3456	0	0	0	0.09	
-3459	C7	SLES	1	-24.8527	0.464015	10.0865	CTL2	3456	3460	3461	3462	-0.18	
-3460	H71	SLES	1	-25.135	-0.594905	9.8948	HAL2	3459	0	0	0	0.09	
-3461	H72	SLES	1	-24.7007	0.586053	11.1821	HAL2	3459	0	0	0	0.09	
-3462	C8	SLES	1	-23.522	0.770338	9.35503	CTL2	3459	3463	3464	3465	-0.18	
-3463	H81	SLES	1	-23.7215	0.871867	8.26356	HAL2	3462	0	0	0	0.09	
-3464	H82	SLES	1	-23.1197	1.74153	9.72314	HAL2	3462	0	0	0	0.09	
-3465	C9	SLES	1	-22.4582	-0.334343	9.57457	CTL2	3462	3466	3467	3468	-0.18	
-3466	H91	SLES	1	-22.8724	-1.31029	9.23355	HAL2	3465	0	0	0	0.09	
-3467	H92	SLES	1	-22.239	-0.415843	10.6631	HAL2	3465	0	0	0	0.09	
-3468	C10	SLES	1	-21.1407	-0.0525604	8.81423	CTL2	3465	3469	3470	3471	-0.18	
-3469	H10	SLES	1	-21.3559	0.00582877	7.72289	HAL2	3468	0	0	0	0.09	
-3470	H10	SLES	1	-20.7374	0.933459	9.13853	HAL2	3468	0	0	0	0.09	
-3471	C11	SLES	1	-20.0668	-1.14523	9.06098	CTL2	3468	3472	3473	3474	-0.18	
-3472	H11	SLES	1	-20.4723	-2.12824	8.72873	HAL2	3471	0	0	0	0.09	
-3473	H11	SLES	1	-19.8681	-1.21228	10.155	HAL2	3471	0	0	0	0.09	
-3474	C12	SLES	1	-18.7274	-0.88269	8.325	CTL3	3471	3475	3476	3477	-0.27	
-3475	H12	SLES	1	-18.4955	-1.72229	7.63316	HAL3	3474	0	0	0	0.09	
-3476	H12	SLES	1	-17.896	-0.787318	9.05779	HAL3	3474	0	0	0	0.09	
-3477	H12	SLES	1	-18.7882	0.0569904	7.73388	HAL3	3474	0	0	0	0.09	
-3478	NA	SLES	1	-38.4619	-12.8461	17.5426	NA	0	0	0	0	1	
-3479	S	SLES	1	-38.5369	-9.44553	16.2081	SL	3480	3481	3482	3483	1.33	
-3480	OS1	SLES	1	-37.1719	-10.4164	16.2495	OSL	3479	3484	0	0	-0.28	
-3481	OS2	SLES	1	-39.533	-10.1736	15.4498	O2L	3479	0	0	0	-0.65	
-3482	OS3	SLES	1	-38.9714	-9.30283	17.5819	O2L	3479	0	0	0	-0.65	
-3483	OS4	SLES	1	-38.3257	-8.13377	15.6172	O2L	3479	0	0	0	-0.65	
-3484	C2	SLES	1	-36.0645	-9.78305	15.4794	CC32A	3480	3485	3486	3487	-0.11	
-3485	H2A	SLES	1	-36.3918	-9.55696	14.4264	HCA2	3484	0	0	0	0.09	
-3486	H2B	SLES	1	-35.7814	-8.81986	15.9877	HCA2	3484	0	0	0	0.09	
-3487	C1	SLES	1	-34.8044	-10.7716	15.4531	CC32A	3484	3488	3489	3490	-0.01	
-3488	H1B	SLES	1	-35.1051	-11.7579	15.0305	HCA2	3487	0	0	0	0.09	
-3489	H1A	SLES	1	-34.4216	-10.9262	16.4888	HCA2	3487	0	0	0	0.09	
-3490	O1	SLES	1	-33.6047	-10.4229	14.6677	OC30A	3487	3491	0	0	-0.34	
-3491	C2	SLES	1	-33.4616	-9.03793	14.2883	CC32A	3490	3492	3493	3494	-0.01	
-3492	H2A	SLES	1	-34.3683	-8.87811	13.6725	HCA2	3491	0	0	0	0.09	
-3493	H2B	SLES	1	-33.5898	-8.50893	15.2594	HCA2	3491	0	0	0	0.09	
-3494	C1	SLES	1	-32.217	-8.46545	13.5397	CC32A	3491	3495	3496	3497	-0.01	
-3495	H1B	SLES	1	-32.3833	-8.5169	12.4416	HCA2	3494	0	0	0	0.09	
-3496	H1A	SLES	1	-32.0726	-7.40486	13.8276	HCA2	3494	0	0	0	0.09	
-3497	O1	SLES	1	-30.8841	-9.06507	13.6219	OC30A	3494	3498	0	0	-0.34	
-3498	C1	SLES	1	-29.7641	-8.1177	13.4735	CTL2	3497	3499	3500	3501	-0.18	
-3499	H11	SLES	1	-30.1928	-7.15614	13.1377	HAL2	3498	0	0	0	0.09	
-3500	H12	SLES	1	-29.4301	-8.00998	14.5262	HAL2	3498	0	0	0	0.09	
-3501	C2	SLES	1	-28.5342	-8.49841	12.5578	CTL2	3498	3502	3503	3504	-0.18	
-3502	H21	SLES	1	-28.7217	-9.4906	12.0895	HAL2	3501	0	0	0	0.09	
-3503	H22	SLES	1	-27.6248	-8.58535	13.1917	HAL2	3501	0	0	0	0.09	
-3504	C3	SLES	1	-28.2691	-7.41535	11.4023	CTL2	3501	3505	3506	3507	-0.18	
-3505	H31	SLES	1	-28.6397	-7.82127	10.4347	HAL2	3504	0	0	0	0.09	
-3506	H32	SLES	1	-28.8462	-6.49673	11.6288	HAL2	3504	0	0	0	0.09	
-3507	C4	SLES	1	-26.738	-7.03592	11.2478	CTL2	3504	3508	3509	3510	-0.18	
-3508	H41	SLES	1	-26.3225	-7.56859	10.367	HAL2	3507	0	0	0	0.09	
-3509	H42	SLES	1	-26.1843	-7.37937	12.1481	HAL2	3507	0	0	0	0.09	
-3510	C5	SLES	1	-26.509	-5.46775	11.0656	CTL2	3507	3511	3512	3513	-0.18	
-3511	H51	SLES	1	-27.4675	-4.99412	10.7583	HAL2	3510	0	0	0	0.09	
-3512	H52	SLES	1	-26.2089	-5.0289	12.0446	HAL2	3510	0	0	0	0.09	
-3513	C6	SLES	1	-25.4063	-5.12905	9.99294	CTL2	3510	3514	3515	3516	-0.18	
-3514	H61	SLES	1	-25.8082	-5.34723	8.97809	HAL2	3513	0	0	0	0.09	
-3515	H62	SLES	1	-25.1748	-4.03939	10.0432	HAL2	3513	0	0	0	0.09	
-3516	C7	SLES	1	-24.0879	-5.93888	10.2035	CTL2	3513	3517	3518	3519	-0.18	
-3517	H71	SLES	1	-24.2127	-6.95482	9.76757	HAL2	3516	0	0	0	0.09	
-3518	H72	SLES	1	-23.9017	-6.05375	11.2946	HAL2	3516	0	0	0	0.09	
-3519	C8	SLES	1	-22.8589	-5.25862	9.55052	CTL2	3516	3520	3521	3522	-0.18	
-3520	H81	SLES	1	-23.1262	-4.93806	8.51747	HAL2	3519	0	0	0	0.09	
-3521	H82	SLES	1	-22.5933	-4.34863	10.1353	HAL2	3519	0	0	0	0.09	
-3522	C9	SLES	1	-21.6277	-6.19681	9.48671	CTL2	3519	3523	3524	3525	-0.18	
-3523	H91	SLES	1	-21.9029	-7.11961	8.92723	HAL2	3522	0	0	0	0.09	
-3524	H92	SLES	1	-21.3441	-6.49428	10.5214	HAL2	3522	0	0	0	0.09	
-3525	C10	SLES	1	-20.4093	-5.53545	8.79999	CTL2	3522	3526	3527	3528	-0.18	
-3526	H10	SLES	1	-20.6856	-5.25885	7.75695	HAL2	3525	0	0	0	0.09	
-3527	H10	SLES	1	-20.1472	-4.60084	9.34577	HAL2	3525	0	0	0	0.09	
-3528	C11	SLES	1	-19.1687	-6.46689	8.76535	CTL2	3525	3529	3530	3531	-0.18	
-3529	H11	SLES	1	-19.4338	-7.3971	8.2126	HAL2	3528	0	0	0	0.09	
-3530	H11	SLES	1	-18.9073	-6.7551	9.80916	HAL2	3528	0	0	0	0.09	
-3531	C12	SLES	1	-17.9245	-5.82613	8.09742	CTL3	3528	3532	3533	3534	-0.27	
-3532	H12	SLES	1	-17.6009	-6.43153	7.22215	HAL3	3531	0	0	0	0.09	
-3533	H12	SLES	1	-17.082	-5.77166	8.82168	HAL3	3531	0	0	0	0.09	
-3534	H12	SLES	1	-18.1593	-4.79678	7.74892	HAL3	3531	0	0	0	0.09	
-3535	NA	SLES	1	-33.994	-22.5777	16.9333	NA	0	0	0	0	1	
-3536	S	SLES	1	-34.716	-19.0332	16.418	SL	3537	3538	3539	3540	1.33	
-3537	OS1	SLES	1	-33.2262	-19.7465	16.1365	OSL	3536	3541	0	0	-0.28	
-3538	OS2	SLES	1	-35.6703	-19.74	15.589	O2L	3536	0	0	0	-0.65	
-3539	OS3	SLES	1	-35.0143	-19.2618	17.8163	O2L	3536	0	0	0	-0.65	
-3540	OS4	SLES	1	-34.7668	-17.6093	16.1276	O2L	3536	0	0	0	-0.65	
-3541	C2	SLES	1	-32.3154	-18.7865	15.4518	CC32A	3537	3542	3543	3544	-0.11	
-3542	H2A	SLES	1	-32.7854	-18.3996	14.5049	HCA2	3541	0	0	0	0.09	
-3543	H2B	SLES	1	-32.1239	-17.9201	16.1439	HCA2	3541	0	0	0	0.09	
-3544	C1	SLES	1	-30.9335	-19.5201	15.1083	CC32A	3541	3545	3546	3547	-0.01	
-3545	H1B	SLES	1	-31.1294	-20.4299	14.4954	HCA2	3544	0	0	0	0.09	
-3546	H1A	SLES	1	-30.4213	-19.8251	16.0505	HCA2	3544	0	0	0	0.09	
-3547	O1	SLES	1	-29.8914	-18.8151	14.337	OC30A	3544	3548	0	0	-0.34	
-3548	C2	SLES	1	-29.9969	-17.3772	14.2737	CC32A	3547	3549	3550	3551	-0.01	
-3549	H2A	SLES	1	-30.979	-17.2449	13.7788	HCA2	3548	0	0	0	0.09	
-3550	H2B	SLES	1	-30.0951	-17.0967	15.3465	HCA2	3548	0	0	0	0.09	
-3551	C1	SLES	1	-28.9398	-16.4572	13.5858	CC32A	3548	3552	3553	3554	-0.01	
-3552	H1B	SLES	1	-29.2154	-16.3007	12.5201	HCA2	3551	0	0	0	0.09	
-3553	H1A	SLES	1	-28.9232	-15.4735	14.0964	HCA2	3551	0	0	0	0.09	
-3554	O1	SLES	1	-27.532	-16.8274	13.431	OC30A	3551	3555	0	0	-0.34	
-3555	C1	SLES	1	-26.5872	-15.6954	13.4204	CTL2	3554	3556	3557	3558	-0.18	
-3556	H11	SLES	1	-27.1874	-14.7706	13.345	HAL2	3555	0	0	0	0.09	
-3557	H12	SLES	1	-26.1599	-15.7598	14.4425	HAL2	3555	0	0	0	0.09	
-3558	C2	SLES	1	-25.422	-15.6596	12.3541	CTL2	3555	3559	3560	3561	-0.18	
-3559	H21	SLES	1	-25.5107	-16.5462	11.6872	HAL2	3558	0	0	0	0.09	
-3560	H22	SLES	1	-24.446	-15.7252	12.883	HAL2	3558	0	0	0	0.09	
-3561	C3	SLES	1	-25.4476	-14.3263	11.4595	CTL2	3558	3562	3563	3564	-0.18	
-3562	H31	SLES	1	-25.8574	-14.5732	10.4548	HAL2	3561	0	0	0	0.09	
-3563	H32	SLES	1	-26.1259	-13.5877	11.9312	HAL2	3561	0	0	0	0.09	
-3564	C4	SLES	1	-24.0154	-13.6704	11.2835	CTL2	3561	3565	3566	3567	-0.18	
-3565	H41	SLES	1	-23.6244	-13.9254	10.2764	HAL2	3564	0	0	0	0.09	
-3566	H42	SLES	1	-23.3221	-14.0996	12.0386	HAL2	3564	0	0	0	0.09	
-3567	C5	SLES	1	-24.042	-12.0838	11.447	CTL2	3564	3568	3569	3570	-0.18	
-3568	H51	SLES	1	-25.0877	-11.7239	11.3271	HAL2	3567	0	0	0	0.09	
-3569	H52	SLES	1	-23.7051	-11.8196	12.4754	HAL2	3567	0	0	0	0.09	
-3570	C6	SLES	1	-23.1252	-11.3436	10.4016	CTL2	3567	3571	3572	3573	-0.18	
-3571	H61	SLES	1	-23.5988	-11.405	9.39613	HAL2	3570	0	0	0	0.09	
-3572	H62	SLES	1	-23.0532	-10.2667	10.6817	HAL2	3570	0	0	0	0.09	
-3573	C7	SLES	1	-21.6866	-11.9459	10.3246	CTL2	3570	3574	3575	3576	-0.18	
-3574	H71	SLES	1	-21.7066	-12.8517	9.67905	HAL2	3573	0	0	0	0.09	
-3575	H72	SLES	1	-21.3675	-12.2576	11.3441	HAL2	3573	0	0	0	0.09	
-3576	C8	SLES	1	-20.6503	-10.9451	9.75527	CTL2	3573	3577	3578	3579	-0.18	
-3577	H81	SLES	1	-21.0732	-10.4615	8.84495	HAL2	3576	0	0	0	0.09	
-3578	H82	SLES	1	-20.4599	-10.1492	10.5108	HAL2	3576	0	0	0	0.09	
-3579	C9	SLES	1	-19.3083	-11.6271	9.38901	CTL2	3576	3580	3581	3582	-0.18	
-3580	H91	SLES	1	-19.5035	-12.4424	8.65578	HAL2	3579	0	0	0	0.09	
-3581	H92	SLES	1	-18.8727	-12.0862	10.305	HAL2	3579	0	0	0	0.09	
-3582	C10	SLES	1	-18.2834	-10.6391	8.78338	CTL2	3579	3583	3584	3585	-0.18	
-3583	H10	SLES	1	-18.7097	-10.1972	7.85401	HAL2	3582	0	0	0	0.09	
-3584	H10	SLES	1	-18.1044	-9.81185	9.50697	HAL2	3582	0	0	0	0.09	
-3585	C11	SLES	1	-16.93	-11.3193	8.44629	CTL2	3582	3586	3587	3588	-0.18	
-3586	H11	SLES	1	-17.1134	-12.1414	7.71716	HAL2	3585	0	0	0	0.09	
-3587	H11	SLES	1	-16.5165	-11.7751	9.37486	HAL2	3585	0	0	0	0.09	
-3588	C12	SLES	1	-15.8746	-10.3508	7.85232	CTL3	3585	3589	3590	3591	-0.27	
-3589	H12	SLES	1	-15.5625	-10.6924	6.84076	HAL3	3588	0	0	0	0.09	
-3590	H12	SLES	1	-14.9755	-10.3109	8.50598	HAL3	3588	0	0	0	0.09	
-3591	H12	SLES	1	-16.2955	-9.32539	7.76575	HAL3	3588	0	0	0	0.09	
-3592	NA	SLES	1	-27.2226	-30.7353	16.3203	NA	0	0	0	0	1	
-3593	S	SLES	1	-28.5209	-27.3337	16.6265	SL	3594	3595	3596	3597	1.33	
-3594	OS1	SLES	1	-27.0087	-27.7184	16.0161	OSL	3593	3598	0	0	-0.28	
-3595	OS2	SLES	1	-29.4841	-28.0356	15.8035	O2L	3593	0	0	0	-0.65	
-3596	OS3	SLES	1	-28.5548	-27.8549	17.9769	O2L	3593	0	0	0	-0.65	
-3597	OS4	SLES	1	-28.8223	-25.9112	16.6375	O2L	3593	0	0	0	-0.65	
-3598	C2	SLES	1	-26.3675	-26.5098	15.4259	CC32A	3594	3599	3600	3601	-0.11	
-3599	H2A	SLES	1	-27.0342	-26.0476	14.6455	HCA2	3598	0	0	0	0.09	
-3600	H2B	SLES	1	-26.1942	-25.7603	16.2472	HCA2	3598	0	0	0	0.09	
-3601	C1	SLES	1	-24.9676	-26.9217	14.7653	CC32A	3598	3602	3603	3604	-0.01	
-3602	H1B	SLES	1	-25.1263	-27.7281	14.0127	HCA2	3601	0	0	0	0.09	
-3603	H1A	SLES	1	-24.2722	-27.2965	15.5522	HCA2	3601	0	0	0	0.09	
-3604	O1	SLES	1	-24.1754	-25.9223	14.0227	OC30A	3601	3605	0	0	-0.34	
-3605	C2	SLES	1	-24.4957	-24.536	14.2641	CC32A	3604	3606	3607	3608	-0.01	
-3606	H2A	SLES	1	-25.5532	-24.4889	13.9379	HCA2	3605	0	0	0	0.09	
-3607	H2B	SLES	1	-24.4598	-24.4716	15.3749	HCA2	3605	0	0	0	0.09	
-3608	C1	SLES	1	-23.7065	-23.3404	13.6437	CC32A	3605	3609	3610	3611	-0.01	
-3609	H1B	SLES	1	-24.1693	-23.0469	12.6764	HCA2	3608	0	0	0	0.09	
-3610	H1A	SLES	1	-23.75	-22.4751	14.3351	HCA2	3608	0	0	0	0.09	
-3611	O1	SLES	1	-22.3034	-23.4292	13.236	OC30A	3608	3612	0	0	-0.34	
-3612	C1	SLES	1	-21.5456	-22.1679	13.3305	CTL2	3611	3613	3614	3615	-0.18	
-3613	H11	SLES	1	-22.277	-21.3618	13.5213	HAL2	3612	0	0	0	0.09	
-3614	H12	SLES	1	-20.955	-22.3383	14.2543	HAL2	3612	0	0	0	0.09	
-3615	C2	SLES	1	-20.5842	-21.7432	12.151	CTL2	3612	3616	3617	3618	-0.18	
-3616	H21	SLES	1	-20.6501	-22.4992	11.3367	HAL2	3615	0	0	0	0.09	
-3617	H22	SLES	1	-19.5368	-21.7328	12.5244	HAL2	3615	0	0	0	0.09	
-3618	C3	SLES	1	-20.9448	-20.297	11.5538	CTL2	3615	3619	3620	3621	-0.18	
-3619	H31	SLES	1	-21.4708	-20.4283	10.582	HAL2	3618	0	0	0	0.09	
-3620	H32	SLES	1	-21.6379	-19.7818	12.2484	HAL2	3618	0	0	0	0.09	
-3621	C4	SLES	1	-19.6692	-19.3837	11.3285	CTL2	3618	3622	3623	3624	-0.18	
-3622	H41	SLES	1	-19.4123	-19.3846	10.2486	HAL2	3621	0	0	0	0.09	
-3623	H42	SLES	1	-18.8091	-19.8143	11.8853	HAL2	3621	0	0	0	0.09	
-3624	C5	SLES	1	-19.8974	-17.88	11.8098	CTL2	3621	3625	3626	3627	-0.18	
-3625	H51	SLES	1	-20.9896	-17.6899	11.9016	HAL2	3624	0	0	0	0.09	
-3626	H52	SLES	1	-19.4413	-17.7486	12.8176	HAL2	3624	0	0	0	0.09	
-3627	C6	SLES	1	-19.2766	-16.8193	10.8245	CTL2	3624	3628	3629	3630	-0.18	
-3628	H61	SLES	1	-19.8917	-16.7817	9.89743	HAL2	3627	0	0	0	0.09	
-3629	H62	SLES	1	-19.3165	-15.8131	11.3036	HAL2	3627	0	0	0	0.09	
-3630	C7	SLES	1	-17.7975	-17.1415	10.4416	CTL2	3627	3631	3632	3633	-0.18	
-3631	H71	SLES	1	-17.7903	-17.908	9.63527	HAL2	3630	0	0	0	0.09	
-3632	H72	SLES	1	-17.2773	-17.5697	11.3273	HAL2	3630	0	0	0	0.09	
-3633	C8	SLES	1	-17.0212	-15.8923	9.95531	CTL2	3630	3634	3635	3636	-0.18	
-3634	H81	SLES	1	-17.65	-15.3348	9.22368	HAL2	3633	0	0	0	0.09	
-3635	H82	SLES	1	-16.8286	-15.2226	10.8242	HAL2	3633	0	0	0	0.09	
-3636	C9	SLES	1	-15.6714	-16.2571	9.28813	CTL2	3633	3637	3638	3639	-0.18	
-3637	H91	SLES	1	-15.8623	-16.9504	8.43769	HAL2	3636	0	0	0	0.09	
-3638	H92	SLES	1	-15.0328	-16.7896	10.0286	HAL2	3636	0	0	0	0.09	
-3639	C10	SLES	1	-14.9101	-15.0158	8.76552	CTL2	3636	3640	3641	3642	-0.18	
-3640	H10	SLES	1	-15.5393	-14.4959	8.00746	HAL2	3639	0	0	0	0.09	
-3641	H10	SLES	1	-14.7383	-14.3119	9.61113	HAL2	3639	0	0	0	0.09	
-3642	C11	SLES	1	-13.5447	-15.382	8.12556	CTL2	3639	3643	3644	3645	-0.18	
-3643	H11	SLES	1	-13.7225	-16.0806	7.27619	HAL2	3642	0	0	0	0.09	
-3644	H11	SLES	1	-12.9263	-15.9174	8.88173	HAL2	3642	0	0	0	0.09	
-3645	C12	SLES	1	-12.7491	-14.1564	7.6064	CTL3	3642	3646	3647	3648	-0.27	
-3646	H12	SLES	1	-12.5576	-14.2541	6.51501	HAL3	3645	0	0	0	0.09	
-3647	H12	SLES	1	-11.7719	-14.079	8.13219	HAL3	3645	0	0	0	0.09	
-3648	H12	SLES	1	-13.3217	-13.22	7.78323	HAL3	3645	0	0	0	0.09	
-3649	NA	SLES	1	-18.6682	-36.8193	15.7455	NA	0	0	0	0	1	
-3650	S	SLES	1	-20.3546	-33.7611	16.8194	SL	3651	3652	3653	3654	1.33	
-3651	OS1	SLES	1	-18.9566	-33.7971	15.8965	OSL	3650	3655	0	0	-0.28	
-3652	OS2	SLES	1	-21.3521	-34.5053	16.0788	O2L	3650	0	0	0	-0.65	
-3653	OS3	SLES	1	-20.0408	-34.4514	18.053	O2L	3650	0	0	0	-0.65	
-3654	OS4	SLES	1	-20.8493	-32.4254	17.112	O2L	3650	0	0	0	-0.65	
-3655	C2	SLES	1	-18.6281	-32.4298	15.4037	CC32A	3651	3656	3657	3658	-0.11	
-3656	H2A	SLES	1	-19.4976	-31.9919	14.8385	HCA2	3655	0	0	0	0.09	
-3657	H2B	SLES	1	-18.4031	-31.7749	16.2906	HCA2	3655	0	0	0	0.09	
-3658	C1	SLES	1	-17.3452	-32.5052	14.4475	CC32A	3655	3659	3660	3661	-0.01	
-3659	H1B	SLES	1	-17.5341	-33.2221	13.6155	HCA2	3658	0	0	0	0.09	
-3660	H1A	SLES	1	-16.4592	-32.8537	15.0278	HCA2	3658	0	0	0	0.09	
-3661	O1	SLES	1	-16.8709	-31.2964	13.7462	OC30A	3658	3662	0	0	-0.34	
-3662	C2	SLES	1	-17.3324	-30.0293	14.2601	CC32A	3661	3663	3664	3665	-0.01	
-3663	H2A	SLES	1	-18.4294	-30.1229	14.1388	HCA2	3662	0	0	0	0.09	
-3664	H2B	SLES	1	-17.0835	-30.1046	15.3425	HCA2	3662	0	0	0	0.09	
-3665	C1	SLES	1	-16.8647	-28.6453	13.7096	CC32A	3662	3666	3667	3668	-0.01	
-3666	H1B	SLES	1	-17.5499	-28.3127	12.8997	HCA2	3665	0	0	0	0.09	
-3667	H1A	SLES	1	-16.8925	-27.8978	14.5275	HCA2	3665	0	0	0	0.09	
-3668	O1	SLES	1	-15.5743	-28.4375	13.0502	OC30A	3665	3669	0	0	-0.34	
-3669	C1	SLES	1	-15.0028	-27.0878	13.21	CTL2	3668	3670	3671	3672	-0.18	
-3670	H11	SLES	1	-15.7892	-26.4513	13.6545	HAL2	3669	0	0	0	0.09	
-3671	H12	SLES	1	-14.2202	-27.2725	13.9747	HAL2	3669	0	0	0	0.09	
-3672	C2	SLES	1	-14.3695	-26.3542	11.9622	CTL2	3669	3673	3674	3675	-0.18	
-3673	H21	SLES	1	-14.4883	-26.9979	11.062	HAL2	3672	0	0	0	0.09	
-3674	H22	SLES	1	-13.2811	-26.2122	12.1404	HAL2	3672	0	0	0	0.09	
-3675	C3	SLES	1	-15.0474	-24.9265	11.6786	CTL2	3672	3676	3677	3678	-0.18	
-3676	H31	SLES	1	-15.7335	-25.0189	10.8074	HAL2	3675	0	0	0	0.09	
-3677	H32	SLES	1	-15.6534	-24.633	12.5588	HAL2	3675	0	0	0	0.09	
-3678	C4	SLES	1	-13.9882	-23.7858	11.38	CTL2	3675	3679	3680	3681	-0.18	
-3679	H41	SLES	1	-13.9563	-23.6021	10.2858	HAL2	3678	0	0	0	0.09	
-3680	H42	SLES	1	-12.9809	-24.1306	11.6987	HAL2	3678	0	0	0	0.09	
-3681	C5	SLES	1	-14.3292	-22.4194	12.1293	CTL2	3678	3682	3683	3684	-0.18	
-3682	H51	SLES	1	-15.3964	-22.4337	12.4429	HAL2	3681	0	0	0	0.09	
-3683	H52	SLES	1	-13.7036	-22.3435	13.0479	HAL2	3681	0	0	0	0.09	
-3684	C6	SLES	1	-14.0786	-21.1487	11.2326	CTL2	3681	3685	3686	3687	-0.18	
-3685	H61	SLES	1	-14.8664	-21.0973	10.4478	HAL2	3684	0	0	0	0.09	
-3686	H62	SLES	1	-14.1659	-20.2354	11.8665	HAL2	3684	0	0	0	0.09	
-3687	C7	SLES	1	-12.676	-21.1589	10.5465	CTL2	3684	3688	3689	3690	-0.18	
-3688	H71	SLES	1	-12.7207	-21.8013	9.63922	HAL2	3687	0	0	0	0.09	
-3689	H72	SLES	1	-11.9322	-21.6026	11.2453	HAL2	3687	0	0	0	0.09	
-3690	C8	SLES	1	-12.2016	-19.7423	10.137	CTL2	3687	3691	3692	3693	-0.18	
-3691	H81	SLES	1	-13.0382	-19.2111	9.62785	HAL2	3690	0	0	0	0.09	
-3692	H82	SLES	1	-11.9367	-19.1681	11.054	HAL2	3690	0	0	0	0.09	
-3693	C9	SLES	1	-10.9752	-19.7794	9.19094	CTL2	3690	3694	3695	3696	-0.18	
-3694	H91	SLES	1	-11.2313	-20.3787	8.28783	HAL2	3693	0	0	0	0.09	
-3695	H92	SLES	1	-10.131	-20.2857	9.71094	HAL2	3693	0	0	0	0.09	
-3696	C10	SLES	1	-10.5215	-18.3684	8.74764	CTL2	3693	3697	3698	3699	-0.18	
-3697	H10	SLES	1	-11.3584	-17.8705	8.20684	HAL2	3696	0	0	0	0.09	
-3698	H10	SLES	1	-10.2864	-17.7614	9.65117	HAL2	3696	0	0	0	0.09	
-3699	C11	SLES	1	-9.27447	-18.4077	7.825	CTL2	3696	3700	3701	3702	-0.18	
-3700	H11	SLES	1	-9.51685	-19.0101	6.91973	HAL2	3699	0	0	0	0.09	
-3701	H11	SLES	1	-8.44606	-18.9223	8.36337	HAL2	3699	0	0	0	0.09	
-3702	C12	SLES	1	-8.78448	-17.0065	7.37641	CTL3	3699	3703	3704	3705	-0.27	
-3703	H12	SLES	1	-8.80428	-16.927	6.26708	HAL3	3702	0	0	0	0.09	
-3704	H12	SLES	1	-7.74308	-16.8311	7.72579	HAL3	3702	0	0	0	0.09	
-3705	H12	SLES	1	-9.43865	-16.2137	7.80016	HAL3	3702	0	0	0	0.09	
-3706	NA	SLES	1	-8.93655	-40.4935	15.2479	NA	0	0	0	0	1	
-3707	S	SLES	1	-10.7669	-37.8502	16.9837	SL	3708	3709	3710	3711	1.33	
-3708	OS1	SLES	1	-9.62646	-37.5824	15.7858	OSL	3707	3712	0	0	-0.28	
-3709	OS2	SLES	1	-11.7857	-38.6953	16.396	O2L	3707	0	0	0	-0.65	
-3710	OS3	SLES	1	-10.0818	-38.5666	18.0392	O2L	3707	0	0	0	-0.65	
-3711	OS4	SLES	1	-11.3738	-36.642	17.519	O2L	3707	0	0	0	-0.65	
-3712	C2	SLES	1	-9.6247	-36.1468	15.3865	CC32A	3708	3713	3714	3715	-0.11	
-3713	H2A	SLES	1	-10.655	-35.8212	15.0709	HCA2	3712	0	0	0	0.09	
-3714	H2B	SLES	1	-9.30281	-35.5304	16.2712	HCA2	3712	0	0	0	0.09	
-3715	C1	SLES	1	-8.59673	-35.9346	14.1765	CC32A	3712	3716	3717	3718	-0.01	
-3716	H1B	SLES	1	-8.86214	-36.6099	13.3307	HCA2	3715	0	0	0	0.09	
-3717	H1A	SLES	1	-7.56034	-36.1707	14.5131	HCA2	3715	0	0	0	0.09	
-3718	O1	SLES	1	-8.47876	-34.615	13.5265	OC30A	3715	3719	0	0	-0.34	
-3719	C2	SLES	1	-8.99312	-33.4849	14.262	CC32A	3718	3720	3721	3722	-0.01	
-3720	H2A	SLES	1	-10.0627	-33.7527	14.3678	HCA2	3719	0	0	0	0.09	
-3721	H2B	SLES	1	-8.49581	-33.5966	15.2517	HCA2	3719	0	0	0	0.09	
-3722	C1	SLES	1	-8.87293	-32.0052	13.7788	CC32A	3719	3723	3724	3725	-0.01	
-3723	H1B	SLES	1	-9.76607	-31.7341	13.1748	HCA2	3722	0	0	0	0.09	
-3724	H1A	SLES	1	-8.82382	-31.3353	14.6605	HCA2	3722	0	0	0	0.09	
-3725	O1	SLES	1	-7.81204	-31.5353	12.8864	OC30A	3722	3726	0	0	-0.34	
-3726	C1	SLES	1	-7.42508	-30.124	13.067	CTL2	3725	3727	3728	3729	-0.18	
-3727	H11	SLES	1	-8.17476	-29.6635	13.7356	HAL2	3726	0	0	0	0.09	
-3728	H12	SLES	1	-6.47039	-30.2301	13.6225	HAL2	3726	0	0	0	0.09	
-3729	C2	SLES	1	-7.20838	-29.2046	11.8005	CTL2	3726	3730	3731	3732	-0.18	
-3730	H21	SLES	1	-7.43263	-29.7911	10.8816	HAL2	3729	0	0	0	0.09	
-3731	H22	SLES	1	-6.14124	-28.8949	11.7571	HAL2	3729	0	0	0	0.09	
-3732	C3	SLES	1	-8.13642	-27.8944	11.8255	CTL2	3729	3733	3734	3735	-0.18	
-3733	H31	SLES	1	-8.98157	-28.0367	11.1157	HAL2	3732	0	0	0	0.09	
-3734	H32	SLES	1	-8.56249	-27.7727	12.8413	HAL2	3732	0	0	0	0.09	
-3735	C4	SLES	1	-7.35367	-26.5729	11.4343	CTL2	3732	3736	3737	3738	-0.18	
-3736	H41	SLES	1	-7.59949	-26.3065	10.3852	HAL2	3735	0	0	0	0.09	
-3737	H42	SLES	1	-6.26069	-26.7656	11.4915	HAL2	3735	0	0	0	0.09	
-3738	C5	SLES	1	-7.71309	-25.3422	12.3836	CTL2	3735	3739	3740	3741	-0.18	
-3739	H51	SLES	1	-8.66657	-25.5591	12.9139	HAL2	3738	0	0	0	0.09	
-3740	H52	SLES	1	-6.91291	-25.2299	13.1504	HAL2	3738	0	0	0	0.09	
-3741	C6	SLES	1	-7.86407	-23.985	11.5983	CTL2	3738	3742	3743	3744	-0.18	
-3742	H61	SLES	1	-8.80859	-24.0095	11.0098	HAL2	3741	0	0	0	0.09	
-3743	H62	SLES	1	-7.93861	-23.1486	12.332	HAL2	3741	0	0	0	0.09	
-3744	C7	SLES	1	-6.66899	-23.7085	10.6321	CTL2	3741	3745	3746	3747	-0.18	
-3745	H71	SLES	1	-6.82376	-24.2808	9.69063	HAL2	3744	0	0	0	0.09	
-3746	H72	SLES	1	-5.72838	-24.0708	11.1036	HAL2	3744	0	0	0	0.09	
-3747	C8	SLES	1	-6.51507	-22.206	10.288	CTL2	3744	3748	3749	3750	-0.18	
-3748	H81	SLES	1	-7.51476	-21.7872	10.0299	HAL2	3747	0	0	0	0.09	
-3749	H82	SLES	1	-6.13611	-21.6644	11.1845	HAL2	3747	0	0	0	0.09	
-3750	C9	SLES	1	-5.54492	-21.9664	9.10407	CTL2	3747	3751	3752	3753	-0.18	
-3751	H91	SLES	1	-5.9086	-22.5322	8.21641	HAL2	3750	0	0	0	0.09	
-3752	H92	SLES	1	-4.53908	-22.3602	9.37378	HAL2	3750	0	0	0	0.09	
-3753	C10	SLES	1	-5.41784	-20.4704	8.73096	CTL2	3750	3754	3755	3756	-0.18	
-3754	H10	SLES	1	-6.4201	-20.0821	8.43856	HAL2	3753	0	0	0	0.09	
-3755	H10	SLES	1	-5.07543	-19.9006	9.62434	HAL2	3753	0	0	0	0.09	
-3756	C11	SLES	1	-4.42207	-20.2313	7.56511	CTL2	3753	3757	3758	3759	-0.18	
-3757	H11	SLES	1	-4.77257	-20.7976	6.67208	HAL2	3756	0	0	0	0.09	
-3758	H11	SLES	1	-3.42606	-20.6372	7.85512	HAL2	3756	0	0	0	0.09	
-3759	C12	SLES	1	-4.25982	-18.7385	7.17805	CTL3	3756	3760	3761	3762	-0.27	
-3760	H12	SLES	1	-4.54339	-18.5821	6.11387	HAL3	3759	0	0	0	0.09	
-3761	H12	SLES	1	-3.20389	-18.4164	7.31448	HAL3	3759	0	0	0	0.09	
-3762	H12	SLES	1	-4.91004	-18.1004	7.8154	HAL3	3759	0	0	0	0.09	
-3763	NA	SLES	1	1.32835	-41.5867	14.8615	NA	0	0	0	0	1	
-3764	S	SLES	1	-0.419184	-39.2956	17.1081	SL	3765	3766	3767	3768	1.33	
-3765	OS1	SLES	1	0.346336	-38.8323	15.6916	OSL	3764	3769	0	0	-0.28	
-3766	OS2	SLES	1	-1.40597	-40.2873	16.7335	O2L	3764	0	0	0	-0.65	
-3767	OS3	SLES	1	0.600528	-39.9044	17.9365	O2L	3764	0	0	0	-0.65	
-3768	OS4	SLES	1	-1.05939	-38.2082	17.8306	O2L	3764	0	0	0	-0.65	
-3769	C2	SLES	1	0.0309875	-37.4107	15.3756	CC32A	3765	3770	3771	3772	-0.11	
-3770	H2A	SLES	1	-1.08243	-37.2524	15.3267	HCA2	3769	0	0	0	0.09	
-3771	H2B	SLES	1	0.455982	-36.761	16.1901	HCA2	3769	0	0	0	0.09	
-3772	C1	SLES	1	0.694373	-37.0204	13.9708	CC32A	3769	3773	3774	3775	-0.01	
-3773	H1B	SLES	1	0.341925	-37.7195	13.1778	HCA2	3772	0	0	0	0.09	
-3774	H1A	SLES	1	1.80483	-37.0896	14.0432	HCA2	3772	0	0	0	0.09	
-3775	O1	SLES	1	0.448382	-35.6913	13.3784	OC30A	3772	3776	0	0	-0.34	
-3776	C2	SLES	1	-0.0432398	-34.6683	14.2697	CC32A	3775	3777	3778	3779	-0.01	
-3777	H2A	SLES	1	-1.00194	-35.107	14.6093	HCA2	3776	0	0	0	0.09	
-3778	H2B	SLES	1	0.687401	-34.71	15.1086	HCA2	3776	0	0	0	0.09	
-3779	C1	SLES	1	-0.271905	-33.183	13.8468	CC32A	3776	3780	3781	3782	-0.01	
-3780	H1B	SLES	1	-1.31438	-33.0528	13.4831	HCA2	3779	0	0	0	0.09	
-3781	H1A	SLES	1	-0.117396	-32.5246	14.725	HCA2	3779	0	0	0	0.09	
-3782	O1	SLES	1	0.459182	-32.5368	12.7556	OC30A	3779	3783	0	0	-0.34	
-3783	C1	SLES	1	0.655529	-31.0838	12.9113	CTL2	3782	3784	3785	3786	-0.18	
-3784	H11	SLES	1	0.0256561	-30.7588	13.7591	HAL2	3783	0	0	0	0.09	
-3785	H12	SLES	1	1.71994	-31.0407	13.2218	HAL2	3783	0	0	0	0.09	
-3786	C2	SLES	1	0.418546	-30.1262	11.6771	CTL2	3783	3787	3788	3789	-0.18	
-3787	H21	SLES	1	0.0743478	-30.7302	10.8079	HAL2	3786	0	0	0	0.09	
-3788	H22	SLES	1	1.38337	-29.6474	11.4008	HAL2	3786	0	0	0	0.09	
-3789	C3	SLES	1	-0.667353	-28.984	11.9845	CTL2	3786	3790	3791	3792	-0.18	
-3790	H31	SLES	1	-1.6253	-29.2526	11.486	HAL2	3789	0	0	0	0.09	
-3791	H32	SLES	1	-0.851682	-28.9451	13.0766	HAL2	3789	0	0	0	0.09	
-3792	C4	SLES	1	-0.214457	-27.5485	11.4879	CTL2	3789	3793	3794	3795	-0.18	
-3793	H41	SLES	1	-0.7421	-27.3128	10.5401	HAL2	3792	0	0	0	0.09	
-3794	H42	SLES	1	0.876737	-27.5625	11.2778	HAL2	3792	0	0	0	0.09	
-3795	C5	SLES	1	-0.521962	-26.4038	12.5555	CTL2	3792	3796	3797	3798	-0.18	
-3796	H51	SLES	1	-1.27573	-26.7785	13.2827	HAL2	3795	0	0	0	0.09	
-3797	H52	SLES	1	0.411157	-26.1727	13.1183	HAL2	3795	0	0	0	0.09	
-3798	C6	SLES	1	-1.06393	-25.0796	11.8966	CTL2	3795	3799	3800	3801	-0.18	
-3799	H61	SLES	1	-2.10634	-25.2495	11.5451	HAL2	3798	0	0	0	0.09	
-3800	H62	SLES	1	-1.08904	-24.2751	12.6684	HAL2	3798	0	0	0	0.09	
-3801	C7	SLES	1	-0.191986	-24.6017	10.6926	CTL2	3798	3802	3803	3804	-0.18	
-3802	H71	SLES	1	-0.477143	-25.1801	9.786	HAL2	3801	0	0	0	0.09	
-3803	H72	SLES	1	0.878391	-24.8125	10.912	HAL2	3801	0	0	0	0.09	
-3804	C8	SLES	1	-0.35857	-23.09	10.398	CTL2	3801	3805	3806	3807	-0.18	
-3805	H81	SLES	1	-1.44328	-22.8355	10.4025	HAL2	3804	0	0	0	0.09	
-3806	H82	SLES	1	0.135495	-22.5051	11.2069	HAL2	3804	0	0	0	0.09	
-3807	C9	SLES	1	0.251377	-22.6823	9.03344	CTL2	3804	3808	3809	3810	-0.18	
-3808	H91	SLES	1	-0.222203	-23.2888	8.22829	HAL2	3807	0	0	0	0.09	
-3809	H92	SLES	1	1.34089	-22.9113	9.04006	HAL2	3807	0	0	0	0.09	
-3810	C10	SLES	1	0.0531101	-21.1811	8.7166	CTL2	3807	3811	3812	3813	-0.18	
-3811	H10	SLES	1	-1.03754	-20.9567	8.68684	HAL2	3810	0	0	0	0.09	
-3812	H10	SLES	1	0.507048	-20.5742	9.53248	HAL2	3810	0	0	0	0.09	
-3813	C11	SLES	1	0.692018	-20.7699	7.36358	CTL2	3810	3814	3815	3816	-0.18	
-3814	H11	SLES	1	0.229882	-21.3747	6.55012	HAL2	3813	0	0	0	0.09	
-3815	H11	SLES	1	1.77883	-21.0127	7.39161	HAL2	3813	0	0	0	0.09	
-3816	C12	SLES	1	0.524628	-19.266	7.02481	CTL3	3813	3817	3818	3819	-0.27	
-3817	H12	SLES	1	-0.0258133	-19.1448	6.06582	HAL3	3816	0	0	0	0.09	
-3818	H12	SLES	1	1.51981	-18.7789	6.92628	HAL3	3816	0	0	0	0.09	
-3819	H12	SLES	1	-0.0447754	-18.7493	7.8279	HAL3	3816	0	0	0	0.09	
-3820	NA	SLES	1	11.4834	-40.0835	14.6126	NA	0	0	0	0	1	
-3821	S	SLES	1	9.96322	-37.9796	17.1842	SL	3822	3823	3824	3825	1.33	
-3822	OS1	SLES	1	10.2905	-37.4755	15.6202	OSL	3821	3826	0	0	-0.28	
-3823	OS2	SLES	1	9.09006	-39.1292	17.0684	O2L	3821	0	0	0	-0.65	
-3824	OS3	SLES	1	11.2332	-38.3813	17.752	O2L	3821	0	0	0	-0.65	
-3825	OS4	SLES	1	9.3426	-36.969	18.0257	O2L	3821	0	0	0	-0.65	
-3826	C2	SLES	1	9.68411	-36.1373	15.3717	CC32A	3822	3827	3828	3829	-0.11	
-3827	H2A	SLES	1	8.57966	-36.1553	15.5885	HCA2	3826	0	0	0	0.09	
-3828	H2B	SLES	1	10.1771	-35.3896	16.0531	HCA2	3826	0	0	0	0.09	
-3829	C1	SLES	1	9.92805	-35.7203	13.8444	CC32A	3826	3830	3831	3832	-0.01	
-3830	H1B	SLES	1	9.51771	-36.5044	13.1672	HCA2	3829	0	0	0	0.09	
-3831	H1A	SLES	1	11.0207	-35.6136	13.65	HCA2	3829	0	0	0	0.09	
-3832	O1	SLES	1	9.33844	-34.4766	13.3121	OC30A	3829	3833	0	0	-0.34	
-3833	C2	SLES	1	8.91021	-33.4983	14.2827	CC32A	3832	3834	3835	3836	-0.01	
-3834	H2A	SLES	1	8.14166	-34.062	14.8469	HCA2	3833	0	0	0	0.09	
-3835	H2B	SLES	1	9.81376	-33.3844	14.923	HCA2	3833	0	0	0	0.09	
-3836	C1	SLES	1	8.35161	-32.0892	13.9089	CC32A	3833	3837	3838	3839	-0.01	
-3837	H1B	SLES	1	7.24601	-32.1398	13.8034	HCA2	3836	0	0	0	0.09	
-3838	H1A	SLES	1	8.59873	-31.3715	14.7167	HCA2	3836	0	0	0	0.09	
-3839	O1	SLES	1	8.69243	-31.3936	12.6668	OC30A	3836	3840	0	0	-0.34	
-3840	C1	SLES	1	8.68192	-29.9217	12.7535	CTL2	3839	3841	3842	3843	-0.18	
-3841	H11	SLES	1	8.22395	-29.6556	13.7234	HAL2	3840	0	0	0	0.09	
-3842	H12	SLES	1	9.76803	-29.6992	12.8	HAL2	3840	0	0	0	0.09	
-3843	C2	SLES	1	8.01085	-29.0754	11.6004	CTL2	3840	3844	3845	3846	-0.18	
-3844	H21	SLES	1	7.57518	-29.7682	10.846	HAL2	3843	0	0	0	0.09	
-3845	H22	SLES	1	8.79357	-28.4679	11.0956	HAL2	3843	0	0	0	0.09	
-3846	C3	SLES	1	6.85691	-28.1004	12.1447	CTL2	3843	3847	3848	3849	-0.18	
-3847	H31	SLES	1	5.86538	-28.5384	11.893	HAL2	3846	0	0	0	0.09	
-3848	H32	SLES	1	6.92956	-28.0356	13.2486	HAL2	3846	0	0	0	0.09	
-3849	C4	SLES	1	6.94249	-26.6391	11.5369	CTL2	3846	3850	3851	3852	-0.18	
-3850	H41	SLES	1	6.17667	-26.5355	10.7401	HAL2	3849	0	0	0	0.09	
-3851	H42	SLES	1	7.94165	-26.495	11.0722	HAL2	3849	0	0	0	0.09	
-3852	C5	SLES	1	6.71234	-25.5033	12.6332	CTL2	3849	3853	3854	3855	-0.18	
-3853	H51	SLES	1	6.22063	-25.9528	13.524	HAL2	3852	0	0	0	0.09	
-3854	H52	SLES	1	7.70122	-25.103	12.9538	HAL2	3852	0	0	0	0.09	
-3855	C6	SLES	1	5.82421	-24.3134	12.1071	CTL2	3852	3856	3857	3858	-0.18	
-3856	H61	SLES	1	4.77012	-24.6596	12.0171	HAL2	3855	0	0	0	0.09	
-3857	H62	SLES	1	5.8506	-23.4847	12.8528	HAL2	3855	0	0	0	0.09	
-3858	C7	SLES	1	6.3009	-23.7678	10.7239	CTL2	3855	3859	3860	3861	-0.18	
-3859	H71	SLES	1	5.90893	-24.4281	9.91882	HAL2	3858	0	0	0	0.09	
-3860	H72	SLES	1	7.41252	-23.7996	10.6835	HAL2	3858	0	0	0	0.09	
-3861	C8	SLES	1	5.82758	-22.3167	10.4595	CTL2	3858	3862	3863	3864	-0.18	
-3862	H81	SLES	1	4.74757	-22.2327	10.7201	HAL2	3861	0	0	0	0.09	
-3863	H82	SLES	1	6.39589	-21.6226	11.1197	HAL2	3861	0	0	0	0.09	
-3864	C9	SLES	1	6.02689	-21.8888	8.98385	CTL2	3861	3865	3866	3867	-0.18	
-3865	H91	SLES	1	5.48258	-22.6008	8.32267	HAL2	3864	0	0	0	0.09	
-3866	H92	SLES	1	7.10995	-21.9463	8.73253	HAL2	3864	0	0	0	0.09	
-3867	C10	SLES	1	5.51967	-20.454	8.70556	CTL2	3864	3868	3869	3870	-0.18	
-3868	H10	SLES	1	4.43082	-20.4024	8.93475	HAL2	3867	0	0	0	0.09	
-3869	H10	SLES	1	6.04759	-19.7441	9.38185	HAL2	3867	0	0	0	0.09	
-3870	C11	SLES	1	5.74887	-20.0177	7.23416	CTL2	3867	3871	3872	3873	-0.18	
-3871	H11	SLES	1	5.21332	-20.7267	6.56214	HAL2	3870	0	0	0	0.09	
-3872	H11	SLES	1	6.83661	-20.0882	7.00442	HAL2	3870	0	0	0	0.09	
-3873	C12	SLES	1	5.26568	-18.5765	6.92715	CTL3	3870	3874	3875	3876	-0.27	
-3874	H12	SLES	1	4.4939	-18.5901	6.12621	HAL3	3873	0	0	0	0.09	
-3875	H12	SLES	1	6.11781	-17.9473	6.58765	HAL3	3873	0	0	0	0.09	
-3876	H12	SLES	1	4.82419	-18.1142	7.83681	HAL3	3873	0	0	0	0.09	
-3877	NA	SLES	1	20.9149	-36.1092	14.5182	NA	0	0	0	0	1	
-3878	S	SLES	1	19.6456	-33.9852	17.2067	SL	3879	3880	3881	3882	1.33	
-3879	OS1	SLES	1	19.5424	-33.6119	15.5765	OSL	3878	3883	0	0	-0.28	
-3880	OS2	SLES	1	18.9742	-35.2569	17.3778	O2L	3878	0	0	0	-0.65	
-3881	OS3	SLES	1	21.0565	-34.1303	17.4982	O2L	3878	0	0	0	-0.65	
-3882	OS4	SLES	1	19.0575	-32.9917	18.0908	O2L	3878	0	0	0	-0.65	
-3883	C2	SLES	1	18.6805	-32.4132	15.375	CC32A	3879	3884	3885	3886	-0.11	
-3884	H2A	SLES	1	17.6668	-32.5705	15.8386	HCA2	3883	0	0	0	0.09	
-3885	H2B	SLES	1	19.1743	-31.5311	15.8694	HCA2	3883	0	0	0	0.09	
-3886	C1	SLES	1	18.5196	-32.134	13.806	CC32A	3883	3887	3888	3889	-0.01	
-3887	H1B	SLES	1	18.1124	-33.0393	13.2996	HCA2	3886	0	0	0	0.09	
-3888	H1A	SLES	1	19.5118	-31.8888	13.3604	HCA2	3886	0	0	0	0.09	
-3889	O1	SLES	1	17.6293	-31.0567	13.332	OC30A	3886	3890	0	0	-0.34	
-3890	C2	SLES	1	17.2593	-30.0524	14.3	CC32A	3889	3891	3892	3893	-0.01	
-3891	H2A	SLES	1	16.7348	-30.6586	15.0644	HCA2	3890	0	0	0	0.09	
-3892	H2B	SLES	1	18.2462	-29.7371	14.7075	HCA2	3890	0	0	0	0.09	
-3893	C1	SLES	1	16.4048	-28.7906	13.9608	CC32A	3890	3894	3895	3896	-0.01	
-3894	H1B	SLES	1	15.3268	-29.0154	14.114	HCA2	3893	0	0	0	0.09	
-3895	H1A	SLES	1	16.6939	-27.9605	14.636	HCA2	3893	0	0	0	0.09	
-3896	O1	SLES	1	16.351	-28.192	12.626	OC30A	3893	3897	0	0	-0.34	
-3897	C1	SLES	1	16.1115	-26.7373	12.6044	CTL2	3896	3898	3899	3900	-0.18	
-3898	H11	SLES	1	15.8326	-26.4376	13.6308	HAL2	3897	0	0	0	0.09	
-3899	H12	SLES	1	17.1292	-26.353	12.3857	HAL2	3897	0	0	0	0.09	
-3900	C2	SLES	1	15.0774	-26.1305	11.5755	CTL2	3897	3901	3902	3903	-0.18	
-3901	H21	SLES	1	14.614	-26.9582	10.9933	HAL2	3900	0	0	0	0.09	
-3902	H22	SLES	1	15.6208	-25.4727	10.8623	HAL2	3900	0	0	0	0.09	
-3903	C3	SLES	1	13.9187	-25.2832	12.2952	CTL2	3900	3904	3905	3906	-0.18	
-3904	H31	SLES	1	12.9846	-25.8878	12.309	HAL2	3903	0	0	0	0.09	
-3905	H32	SLES	1	14.213	-25.0883	13.3457	HAL2	3903	0	0	0	0.09	
-3906	C4	SLES	1	13.6255	-23.9004	11.5781	CTL2	3903	3907	3908	3909	-0.18	
-3907	H41	SLES	1	12.7012	-23.9988	10.9714	HAL2	3906	0	0	0	0.09	
-3908	H42	SLES	1	14.4638	-23.6619	10.8887	HAL2	3906	0	0	0	0.09	
-3909	C5	SLES	1	13.4464	-22.6984	12.6115	CTL2	3906	3910	3911	3912	-0.18	
-3910	H51	SLES	1	13.2387	-23.1157	13.6215	HAL2	3909	0	0	0	0.09	
-3911	H52	SLES	1	14.399	-22.1237	12.668	HAL2	3909	0	0	0	0.09	
-3912	C6	SLES	1	12.2792	-21.7174	12.2156	CTL2	3909	3913	3914	3915	-0.18	
-3913	H61	SLES	1	11.3038	-22.2234	12.3938	HAL2	3912	0	0	0	0.09	
-3914	H62	SLES	1	12.3239	-20.8176	12.8726	HAL2	3912	0	0	0	0.09	
-3915	C7	SLES	1	12.3513	-21.2616	10.7238	CTL2	3912	3916	3917	3918	-0.18	
-3916	H71	SLES	1	11.9137	-22.0564	10.08	HAL2	3915	0	0	0	0.09	
-3917	H72	SLES	1	13.4179	-21.133	10.4337	HAL2	3915	0	0	0	0.09	
-3918	C8	SLES	1	11.5951	-19.934	10.4683	CTL2	3915	3919	3920	3921	-0.18	
-3919	H81	SLES	1	10.5971	-19.9827	10.9613	HAL2	3918	0	0	0	0.09	
-3920	H82	SLES	1	12.1659	-19.0957	10.9288	HAL2	3918	0	0	0	0.09	
-3921	C9	SLES	1	11.4004	-19.645	8.9587	CTL2	3918	3922	3923	3924	-0.18	
-3922	H91	SLES	1	10.8555	-20.4975	8.49312	HAL2	3921	0	0	0	0.09	
-3923	H92	SLES	1	12.3989	-19.5688	8.47213	HAL2	3921	0	0	0	0.09	
-3924	C10	SLES	1	10.6114	-18.34	8.69858	CTL2	3921	3925	3926	3927	-0.18	
-3925	H10	SLES	1	9.60358	-18.4251	9.1654	HAL2	3924	0	0	0	0.09	
-3926	H10	SLES	1	11.144	-17.4903	9.18271	HAL2	3924	0	0	0	0.09	
-3927	C11	SLES	1	10.4449	-18.0377	7.18566	CTL2	3924	3928	3929	3930	-0.18	
-3928	H11	SLES	1	9.90566	-18.8872	6.70735	HAL2	3927	0	0	0	0.09	
-3929	H11	SLES	1	11.4547	-17.9713	6.71994	HAL2	3927	0	0	0	0.09	
-3930	C12	SLES	1	9.67181	-16.7261	6.89172	CTL3	3927	3931	3932	3933	-0.27	
-3931	H12	SLES	1	8.76062	-16.9408	6.29092	HAL3	3930	0	0	0	0.09	
-3932	H12	SLES	1	10.3136	-16.0186	6.32167	HAL3	3930	0	0	0	0.09	
-3933	H12	SLES	1	9.36292	-16.2376	7.84153	HAL3	3930	0	0	0	0.09	
-3934	NA	SLES	1	29.0593	-29.9153	14.5848	NA	0	0	0	0	1	
-3935	S	SLES	1	27.9413	-27.5924	17.1742	SL	3936	3937	3938	3939	1.33	
-3936	OS1	SLES	1	27.4876	-27.5046	15.5636	OSL	3935	3940	0	0	-0.28	
-3937	OS2	SLES	1	27.54	-28.9035	17.6405	O2L	3935	0	0	0	-0.65	
-3938	OS3	SLES	1	29.3851	-27.4841	17.1923	O2L	3935	0	0	0	-0.65	
-3939	OS4	SLES	1	27.3575	-26.5652	18.0216	O2L	3935	0	0	0	-0.65	
-3940	C2	SLES	1	26.4103	-26.4906	15.3854	CC32A	3936	3941	3942	3943	-0.11	
-3941	H2A	SLES	1	25.5375	-26.7158	16.0597	HCA2	3940	0	0	0	0.09	
-3942	H2B	SLES	1	26.8247	-25.4788	15.6514	HCA2	3940	0	0	0	0.09	
-3943	C1	SLES	1	25.9277	-26.4931	13.8581	CC32A	3940	3944	3945	3946	-0.01	
-3944	H1B	SLES	1	25.5991	-27.517	13.566	HCA2	3943	0	0	0	0.09	
-3945	H1A	SLES	1	26.7677	-26.1823	13.1941	HCA2	3943	0	0	0	0.09	
-3946	O1	SLES	1	24.7954	-25.6455	13.4368	OC30A	3943	3947	0	0	-0.34	
-3947	C2	SLES	1	24.4359	-24.5627	14.3206	CC32A	3946	3948	3949	3950	-0.01	
-3948	H2A	SLES	1	24.1678	-25.1074	15.247	HCA2	3947	0	0	0	0.09	
-3949	H2B	SLES	1	25.4102	-24.0472	14.4767	HCA2	3947	0	0	0	0.09	
-3950	C1	SLES	1	23.3305	-23.5082	13.999	CC32A	3947	3951	3952	3953	-0.01	
-3951	H1B	SLES	1	22.3519	-23.8583	14.3937	HCA2	3950	0	0	0	0.09	
-3952	H1A	SLES	1	23.5877	-22.5476	14.4885	HCA2	3950	0	0	0	0.09	
-3953	O1	SLES	1	22.9383	-23.1458	12.636	OC30A	3950	3954	0	0	-0.34	
-3954	C1	SLES	1	22.452	-21.7633	12.4741	CTL2	3953	3955	3956	3957	-0.18	
-3955	H11	SLES	1	22.3125	-21.346	13.4877	HAL2	3954	0	0	0	0.09	
-3956	H12	SLES	1	23.3331	-21.2766	12.0071	HAL2	3954	0	0	0	0.09	
-3957	C2	SLES	1	21.1629	-21.4849	11.6041	CTL2	3954	3958	3959	3960	-0.18	
-3958	H21	SLES	1	20.7529	-22.4533	11.2396	HAL2	3957	0	0	0	0.09	
-3959	H22	SLES	1	21.4495	-20.8788	10.7169	HAL2	3957	0	0	0	0.09	
-3960	C3	SLES	1	20.0221	-20.7089	12.4257	CTL2	3957	3961	3962	3963	-0.18	
-3961	H31	SLES	1	19.2235	-21.4316	12.7055	HAL2	3960	0	0	0	0.09	
-3962	H32	SLES	1	20.4603	-20.3076	13.3612	HAL2	3960	0	0	0	0.09	
-3963	C4	SLES	1	19.3726	-19.516	11.6087	CTL2	3960	3964	3965	3966	-0.18	
-3964	H41	SLES	1	18.3862	-19.8427	11.2182	HAL2	3963	0	0	0	0.09	
-3965	H42	SLES	1	20.0214	-19.273	10.7398	HAL2	3963	0	0	0	0.09	
-3966	C5	SLES	1	19.1757	-18.2022	12.4918	CTL2	3963	3967	3968	3969	-0.18	
-3967	H51	SLES	1	19.2257	-18.4775	13.5684	HAL2	3966	0	0	0	0.09	
-3968	H52	SLES	1	20.0098	-17.4947	12.2804	HAL2	3966	0	0	0	0.09	
-3969	C6	SLES	1	17.8056	-17.476	12.2146	CTL2	3966	3970	3971	3972	-0.18	
-3970	H61	SLES	1	16.9793	-18.082	12.6495	HAL2	3969	0	0	0	0.09	
-3971	H62	SLES	1	17.8107	-16.4854	12.7265	HAL2	3969	0	0	0	0.09	
-3972	C7	SLES	1	17.5321	-17.26	10.6924	CTL2	3969	3973	3974	3975	-0.18	
-3973	H71	SLES	1	17.1305	-18.2026	10.2587	HAL2	3972	0	0	0	0.09	
-3974	H72	SLES	1	18.4919	-17.0274	10.1796	HAL2	3972	0	0	0	0.09	
-3975	C8	SLES	1	16.5254	-16.1137	10.4238	CTL2	3972	3976	3977	3978	-0.18	
-3976	H81	SLES	1	15.6544	-16.2258	11.1094	HAL2	3975	0	0	0	0.09	
-3977	H82	SLES	1	17.0159	-15.1389	10.6472	HAL2	3975	0	0	0	0.09	
-3978	C9	SLES	1	16.0189	-16.1019	8.95969	CTL2	3975	3979	3980	3981	-0.18	
-3979	H91	SLES	1	15.5551	-17.0875	8.72801	HAL2	3978	0	0	0	0.09	
-3980	H92	SLES	1	16.8869	-15.9618	8.27661	HAL2	3978	0	0	0	0.09	
-3981	C10	SLES	1	14.9836	-14.983	8.69613	CTL2	3978	3982	3983	3984	-0.18	
-3982	H10	SLES	1	14.1047	-15.1364	9.36307	HAL2	3981	0	0	0	0.09	
-3983	H10	SLES	1	15.4394	-13.9989	8.94864	HAL2	3981	0	0	0	0.09	
-3984	C11	SLES	1	14.5016	-14.9548	7.2214	CTL2	3981	3985	3986	3987	-0.18	
-3985	H11	SLES	1	14.0403	-15.9387	6.97583	HAL2	3984	0	0	0	0.09	
-3986	H11	SLES	1	15.3858	-14.8193	6.55757	HAL2	3984	0	0	0	0.09	
-3987	C12	SLES	1	13.4745	-13.8326	6.92094	CTL3	3984	3988	3989	3990	-0.27	
-3988	H12	SLES	1	12.5219	-14.27	6.54873	HAL3	3987	0	0	0	0.09	
-3989	H12	SLES	1	13.8733	-13.1408	6.14647	HAL3	3987	0	0	0	0.09	
-3990	H12	SLES	1	13.2598	-13.2476	7.84173	HAL3	3987	0	0	0	0.09	
-3991	NA	SLES	1	35.4207	-21.8676	14.8077	NA	0	0	0	0	1	
-3992	S	SLES	1	34.2658	-19.2573	17.0887	SL	3993	3994	3995	3996	1.33	
-3993	OS1	SLES	1	33.5982	-19.5614	15.5823	OSL	3992	3997	0	0	-0.28	
-3994	OS2	SLES	1	34.1603	-20.4917	17.8388	O2L	3992	0	0	0	-0.65	
-3995	OS3	SLES	1	35.6593	-18.9407	16.8553	O2L	3992	0	0	0	-0.65	
-3996	OS4	SLES	1	33.629	-18.1756	17.8229	O2L	3992	0	0	0	-0.65	
-3997	C2	SLES	1	32.3486	-18.7699	15.4022	CC32A	3993	3998	3999	4000	-0.11	
-3998	H2A	SLES	1	31.6228	-18.9782	16.237	HCA2	3997	0	0	0	0.09	
-3999	H2B	SLES	1	32.6136	-17.6763	15.4142	HCA2	3997	0	0	0	0.09	
-4000	C1	SLES	1	31.6792	-19.1489	13.9972	CC32A	3997	4001	4002	4003	-0.01	
-4001	H1B	SLES	1	31.4966	-20.2471	13.9482	HCA2	4000	0	0	0	0.09	
-4002	H1A	SLES	1	32.3597	-18.8603	13.1624	HCA2	4000	0	0	0	0.09	
-4003	O1	SLES	1	30.373	-18.5754	13.6194	OC30A	4000	4004	0	0	-0.34	
-4004	C2	SLES	1	29.9504	-17.4004	14.3429	CC32A	4003	4005	4006	4007	-0.01	
-4005	H2A	SLES	1	29.9028	-17.7805	15.3821	HCA2	4004	0	0	0	0.09	
-4006	H2B	SLES	1	30.8334	-16.7292	14.2465	HCA2	4004	0	0	0	0.09	
-4007	C1	SLES	1	28.6477	-16.6025	14.0209	CC32A	4004	4008	4009	4010	-0.01	
-4008	H1B	SLES	1	27.8037	-17.0034	14.6234	HCA2	4007	0	0	0	0.09	
-4009	H1A	SLES	1	28.7971	-15.5363	14.2842	HCA2	4007	0	0	0	0.09	
-4010	O1	SLES	1	28.0252	-16.5819	12.6962	OC30A	4007	4011	0	0	-0.34	
-4011	C1	SLES	1	27.2913	-15.345	12.3715	CTL2	4010	4012	4013	4014	-0.18	
-4012	H11	SLES	1	27.215	-14.7569	13.304	HAL2	4011	0	0	0	0.09	
-4013	H12	SLES	1	28.0072	-14.8403	11.6902	HAL2	4011	0	0	0	0.09	
-4014	C2	SLES	1	25.8715	-15.4358	11.6844	CTL2	4011	4015	4016	4017	-0.18	
-4015	H21	SLES	1	25.5905	-16.5065	11.5683	HAL2	4014	0	0	0	0.09	
-4016	H22	SLES	1	25.9317	-14.9856	10.6693	HAL2	4014	0	0	0	0.09	
-4017	C3	SLES	1	24.7308	-14.6831	12.5274	CTL2	4014	4018	4019	4020	-0.18	
-4018	H31	SLES	1	24.1118	-15.4421	13.0557	HAL2	4017	0	0	0	0.09	
-4019	H32	SLES	1	25.2112	-14.043	13.2941	HAL2	4017	0	0	0	0.09	
-4020	C4	SLES	1	23.7851	-13.7851	11.6266	CTL2	4017	4021	4022	4023	-0.18	
-4021	H41	SLES	1	22.8274	-14.3222	11.4639	HAL2	4020	0	0	0	0.09	
-4022	H42	SLES	1	24.2638	-13.6309	10.6356	HAL2	4020	0	0	0	0.09	
-4023	C5	SLES	1	23.4814	-12.3629	12.2823	CTL2	4020	4024	4025	4026	-0.18	
-4024	H51	SLES	1	23.7175	-12.4059	13.3685	HAL2	4023	0	0	0	0.09	
-4025	H52	SLES	1	24.1466	-11.5998	11.8175	HAL2	4023	0	0	0	0.09	
-4026	C6	SLES	1	21.9825	-11.9124	12.1041	CTL2	4023	4027	4028	4029	-0.18	
-4027	H61	SLES	1	21.3365	-12.5311	12.7667	HAL2	4026	0	0	0	0.09	
-4028	H62	SLES	1	21.8836	-10.8489	12.4244	HAL2	4026	0	0	0	0.09	
-4029	C7	SLES	1	21.4804	-12.0485	10.6318	CTL2	4026	4030	4031	4032	-0.18	
-4030	H71	SLES	1	21.1942	-13.1068	10.4426	HAL2	4029	0	0	0	0.09	
-4031	H72	SLES	1	22.3109	-11.788	9.93851	HAL2	4029	0	0	0	0.09	
-4032	C8	SLES	1	20.2652	-11.1368	10.3291	CTL2	4029	4033	4034	4035	-0.18	
-4033	H81	SLES	1	19.5231	-11.2331	11.1545	HAL2	4032	0	0	0	0.09	
-4034	H82	SLES	1	20.6054	-10.0768	10.294	HAL2	4032	0	0	0	0.09	
-4035	C9	SLES	1	19.5783	-11.4927	8.98675	CTL2	4032	4036	4037	4038	-0.18	
-4036	H91	SLES	1	19.2649	-12.5612	9.01135	HAL2	4035	0	0	0	0.09	
-4037	H92	SLES	1	20.3129	-11.3693	8.15931	HAL2	4035	0	0	0	0.09	
-4038	C10	SLES	1	18.3404	-10.6107	8.69839	CTL2	4035	4039	4040	4041	-0.18	
-4039	H10	SLES	1	17.5953	-10.7519	9.51429	HAL2	4038	0	0	0	0.09	
-4040	H10	SLES	1	18.6489	-9.54077	8.69559	HAL2	4038	0	0	0	0.09	
-4041	C11	SLES	1	17.6732	-10.9493	7.33892	CTL2	4038	4042	4043	4044	-0.18	
-4042	H11	SLES	1	17.3603	-12.0185	7.3493	HAL2	4041	0	0	0	0.09	
-4043	H11	SLES	1	18.427	-10.8241	6.52835	HAL2	4041	0	0	0	0.09	
-4044	C12	SLES	1	16.4381	-10.0703	7.0128	CTL3	4041	4045	4046	4047	-0.27	
-4045	H12	SLES	1	15.5348	-10.7062	6.88207	HAL3	4044	0	0	0	0.09	
-4046	H12	SLES	1	16.6078	-9.49835	6.07397	HAL3	4044	0	0	0	0.09	
-4047	H12	SLES	1	16.2474	-9.34933	7.8374	HAL3	4044	0	0	0	0.09	
-4048	NA	SLES	1	39.5884	-12.4361	15.1718	NA	0	0	0	0	1	
-4049	S	SLES	1	38.1814	-9.57492	16.9563	SL	4050	4051	4052	4053	1.33	
-4050	OS1	SLES	1	37.4656	-10.3095	15.6313	OSL	4049	4054	0	0	-0.28	
-4051	OS2	SLES	1	38.3406	-10.6076	17.9591	O2L	4049	0	0	0	-0.65	
-4052	OS3	SLES	1	39.4807	-9.11747	16.5101	O2L	4049	0	0	0	-0.65	
-4053	OS4	SLES	1	37.4273	-8.46076	17.508	O2L	4049	0	0	0	-0.65	
-4054	C2	SLES	1	36.0908	-9.77349	15.4241	CC32A	4050	4055	4056	4057	-0.11	
-4055	H2A	SLES	1	35.4738	-9.89106	16.3583	HCA2	4054	0	0	0	0.09	
-4056	H2B	SLES	1	36.1681	-8.67912	15.1738	HCA2	4054	0	0	0	0.09	
-4057	C1	SLES	1	35.3933	-10.5573	14.2138	CC32A	4054	4058	4059	4060	-0.01	
-4058	H1B	SLES	1	35.3951	-11.6524	14.4202	HCA2	4057	0	0	0	0.09	
-4059	H1A	SLES	1	35.9522	-10.3692	13.2675	HCA2	4057	0	0	0	0.09	
-4060	O1	SLES	1	33.9849	-10.2845	13.8674	OC30A	4057	4061	0	0	-0.34	
-4061	C2	SLES	1	33.4249	-9.05128	14.3655	CC32A	4060	4062	4063	4064	-0.01	
-4062	H2A	SLES	1	33.5186	-9.18737	15.4607	HCA2	4061	0	0	0	0.09	
-4063	H2B	SLES	1	34.1728	-8.29676	14.0326	HCA2	4061	0	0	0	0.09	
-4064	C1	SLES	1	31.9864	-8.54937	14.025	CC32A	4061	4065	4066	4067	-0.01	
-4065	H1B	SLES	1	31.2686	-8.92259	14.7875	HCA2	4064	0	0	0	0.09	
-4066	H1A	SLES	1	31.9731	-7.44109	14.0372	HCA2	4064	0	0	0	0.09	
-4067	O1	SLES	1	31.2736	-8.92334	12.8023	OC30A	4064	4068	0	0	-0.34	
-4068	C1	SLES	1	30.32	-7.91537	12.3036	CTL2	4067	4069	4070	4071	-0.18	
-4069	H11	SLES	1	30.2146	-7.14822	13.0919	HAL2	4068	0	0	0	0.09	
-4070	H12	SLES	1	30.8887	-7.47911	11.4564	HAL2	4068	0	0	0	0.09	
-4071	C2	SLES	1	28.8892	-8.36922	11.8107	CTL2	4068	4072	4073	4074	-0.18	
-4072	H21	SLES	1	28.7848	-9.46765	11.9569	HAL2	4071	0	0	0	0.09	
-4073	H22	SLES	1	28.798	-8.15836	10.7227	HAL2	4071	0	0	0	0.09	
-4074	C3	SLES	1	27.7032	-7.62134	12.5933	CTL2	4071	4075	4076	4077	-0.18	
-4075	H31	SLES	1	27.2613	-8.32293	13.3355	HAL2	4074	0	0	0	0.09	
-4076	H32	SLES	1	28.1239	-6.7596	13.1489	HAL2	4074	0	0	0	0.09	
-4077	C4	SLES	1	26.5561	-7.10211	11.6306	CTL2	4074	4078	4079	4080	-0.18	
-4078	H41	SLES	1	25.6932	-7.79765	11.6915	HAL2	4077	0	0	0	0.09	
-4079	H42	SLES	1	26.9278	-7.10876	10.5833	HAL2	4077	0	0	0	0.09	
-4080	C5	SLES	1	26.0663	-5.62886	11.9972	CTL2	4077	4081	4082	4083	-0.18	
-4081	H51	SLES	1	26.3856	-5.38788	13.0353	HAL2	4080	0	0	0	0.09	
-4082	H52	SLES	1	26.5576	-4.90199	11.3107	HAL2	4080	0	0	0	0.09	
-4083	C6	SLES	1	24.504	-5.45744	11.8918	CTL2	4080	4084	4085	4086	-0.18	
-4084	H61	SLES	1	24.0219	-5.99737	12.7375	HAL2	4083	0	0	0	0.09	
-4085	H62	SLES	1	24.2512	-4.37553	11.987	HAL2	4083	0	0	0	0.09	
-4086	C7	SLES	1	23.9251	-5.99814	10.5462	CTL2	4083	4087	4088	4089	-0.18	
-4087	H71	SLES	1	23.808	-7.1021	10.6192	HAL2	4086	0	0	0	0.09	
-4088	H72	SLES	1	24.6466	-5.78262	9.72685	HAL2	4086	0	0	0	0.09	
-4089	C8	SLES	1	22.5548	-5.36929	10.1905	CTL2	4086	4090	4091	4092	-0.18	
-4090	H81	SLES	1	21.9022	-5.38354	11.0934	HAL2	4089	0	0	0	0.09	
-4091	H82	SLES	1	22.7082	-4.30681	9.89347	HAL2	4089	0	0	0	0.09	
-4092	C9	SLES	1	21.8408	-6.11922	9.03805	CTL2	4089	4093	4094	4095	-0.18	
-4093	H91	SLES	1	21.7145	-7.1882	9.32382	HAL2	4092	0	0	0	0.09	
-4094	H92	SLES	1	22.4813	-6.0804	8.12821	HAL2	4092	0	0	0	0.09	
-4095	C10	SLES	1	20.4543	-5.51905	8.7052	CTL2	4092	4096	4097	4098	-0.18	
-4096	H10	SLES	1	19.8057	-5.57909	9.60875	HAL2	4095	0	0	0	0.09	
-4097	H10	SLES	1	20.5773	-4.44434	8.44079	HAL2	4095	0	0	0	0.09	
-4098	C11	SLES	1	19.7555	-6.25329	7.53024	CTL2	4095	4099	4100	4101	-0.18	
-4099	H11	SLES	1	19.6287	-7.32614	7.8023	HAL2	4098	0	0	0	0.09	
-4100	H11	SLES	1	20.4158	-6.20605	6.6343	HAL2	4098	0	0	0	0.09	
-4101	C12	SLES	1	18.3695	-5.6642	7.16107	CTL3	4098	4102	4103	4104	-0.27	
-4102	H12	SLES	1	17.579	-6.4395	7.26822	HAL3	4101	0	0	0	0.09	
-4103	H12	SLES	1	18.3709	-5.30256	6.10913	HAL3	4101	0	0	0	0.09	
-4104	H12	SLES	1	18.1213	-4.8106	7.82883	HAL3	4101	0	0	0	0.09	
-4105	NA	SLES	1	43.9044	-2.18434	4.44031	NA	0	0	0	0	1	
-4106	S	SLES	1	42.4301	0.768073	6.00883	SL	4107	4108	4109	4110	1.33	
-4107	OS1	SLES	1	41.5682	-0.363386	5.12323	OSL	4106	4111	0	0	-0.28	
-4108	OS2	SLES	1	43.0675	0.0424865	7.08805	O2L	4106	0	0	0	-0.65	
-4109	OS3	SLES	1	43.4351	1.30044	5.11263	O2L	4106	0	0	0	-0.65	
-4110	OS4	SLES	1	41.6246	1.85171	6.54852	O2L	4106	0	0	0	-0.65	
-4111	C2	SLES	1	40.105	-0.111291	5.24867	CC32A	4107	4112	4113	4114	-0.11	
-4112	H2A	SLES	1	39.796	-0.0958529	6.33102	HCA2	4111	0	0	0	0.09	
-4113	H2B	SLES	1	39.8744	0.889903	4.78965	HCA2	4111	0	0	0	0.09	
-4114	C1	SLES	1	39.3011	-1.25975	4.47372	CC32A	4111	4115	4116	4117	-0.01	
-4115	H1B	SLES	1	39.5946	-2.2599	4.86785	HCA2	4114	0	0	0	0.09	
-4116	H1A	SLES	1	39.5369	-1.2194	3.38472	HCA2	4114	0	0	0	0.09	
-4117	O1	SLES	1	37.8268	-1.29844	4.52774	OC30A	4114	4118	0	0	-0.34	
-4118	C2	SLES	1	37.1638	-0.0835074	4.93632	CC32A	4117	4119	4120	4121	-0.01	
-4119	H2A	SLES	1	37.5693	0.0623772	5.95667	HCA2	4118	0	0	0	0.09	
-4120	H2B	SLES	1	37.6156	0.675615	4.25885	HCA2	4118	0	0	0	0.09	
-4121	C1	SLES	1	35.613	0.0942148	4.96279	CC32A	4118	4122	4123	4124	-0.01	
-4122	H1B	SLES	1	35.2196	-0.192016	5.96247	HCA2	4121	0	0	0	0.09	
-4123	H1A	SLES	1	35.3632	1.15752	4.77407	HCA2	4121	0	0	0	0.09	
-4124	O1	SLES	1	34.7025	-0.666656	4.10552	OC30A	4121	4125	0	0	-0.34	
-4125	C1	SLES	1	33.4563	0.0332149	3.74341	CTL2	4124	4126	4127	4128	-0.18	
-4126	H11	SLES	1	33.398	0.940877	4.37105	HAL2	4125	0	0	0	0.09	
-4127	H12	SLES	1	33.6735	0.336632	2.69841	HAL2	4125	0	0	0	0.09	
-4128	C2	SLES	1	32.08	-0.740536	3.80125	CTL2	4125	4129	4130	4131	-0.18	
-4129	H21	SLES	1	32.2585	-1.77472	4.17192	HAL2	4128	0	0	0	0.09	
-4130	H22	SLES	1	31.6624	-0.812638	2.77313	HAL2	4128	0	0	0	0.09	
-4131	C3	SLES	1	31.0085	-0.0194775	4.75546	CTL2	4128	4132	4133	4134	-0.18	
-4132	H31	SLES	1	30.9405	-0.582784	5.71272	HAL2	4131	0	0	0	0.09	
-4133	H32	SLES	1	31.3632	1.00439	4.98808	HAL2	4131	0	0	0	0.09	
-4134	C4	SLES	1	29.5644	0.0710401	4.10853	CTL2	4131	4135	4136	4137	-0.18	
-4135	H41	SLES	1	28.92	-0.714336	4.5559	HAL2	4134	0	0	0	0.09	
-4136	H42	SLES	1	29.6399	-0.128388	3.01787	HAL2	4134	0	0	0	0.09	
-4137	C5	SLES	1	28.8808	1.49546	4.32869	CTL2	4134	4138	4139	4140	-0.18	
-4138	H51	SLES	1	29.4015	2.02394	5.15752	HAL2	4137	0	0	0	0.09	
-4139	H52	SLES	1	29.0044	2.10392	3.4038	HAL2	4137	0	0	0	0.09	
-4140	C6	SLES	1	27.3471	1.39347	4.67342	CTL2	4137	4141	4142	4143	-0.18	
-4141	H61	SLES	1	27.2333	1.00367	5.70984	HAL2	4140	0	0	0	0.09	
-4142	H62	SLES	1	26.8998	2.41437	4.63986	HAL2	4140	0	0	0	0.09	
-4143	C7	SLES	1	26.5663	0.464015	3.69117	CTL2	4140	4144	4145	4146	-0.18	
-4144	H71	SLES	1	26.7149	-0.594905	3.99835	HAL2	4143	0	0	0	0.09	
-4145	H72	SLES	1	26.9825	0.586053	2.66634	HAL2	4143	0	0	0	0.09	
-4146	C8	SLES	1	25.0482	0.770338	3.65932	CTL2	4143	4147	4148	4149	-0.18	
-4147	H81	SLES	1	24.6752	0.871867	4.70428	HAL2	4146	0	0	0	0.09	
-4148	H82	SLES	1	24.8838	1.74153	3.13935	HAL2	4146	0	0	0	0.09	
-4149	C9	SLES	1	24.2366	-0.334343	2.93727	CTL2	4146	4150	4151	4152	-0.18	
-4150	H91	SLES	1	24.4249	-1.31029	3.43971	HAL2	4149	0	0	0	0.09	
-4151	H92	SLES	1	24.5911	-0.415843	1.88502	HAL2	4149	0	0	0	0.09	
-4152	C10	SLES	1	22.7155	-0.0525604	2.93698	CTL2	4149	4153	4154	4155	-0.18	
-4153	H10	SLES	1	22.3562	0.00582877	3.98975	HAL2	4152	0	0	0	0.09	
-4154	H10	SLES	1	22.5284	0.933459	2.45449	HAL2	4152	0	0	0	0.09	
-4155	C11	SLES	1	21.9089	-1.14523	2.18637	CTL2	4152	4156	4157	4158	-0.18	
-4156	H11	SLES	1	22.0939	-2.12824	2.67685	HAL2	4155	0	0	0	0.09	
-4157	H11	SLES	1	22.2838	-1.21228	1.13953	HAL2	4155	0	0	0	0.09	
-4158	C12	SLES	1	20.3809	-0.88269	2.15404	CTL3	4155	4159	4160	4161	-0.27	
-4159	H12	SLES	1	19.8342	-1.72229	2.63726	HAL3	4158	0	0	0	0.09	
-4160	H12	SLES	1	20.0273	-0.787318	1.10372	HAL3	4158	0	0	0	0.09	
-4161	H12	SLES	1	20.138	0.0569904	2.69638	HAL3	4158	0	0	0	0.09	
-4162	NA	SLES	1	43.0594	8.53037	5.02026	NA	0	0	0	0	1	
-4163	S	SLES	1	40.912	11.3801	5.8064	SL	4164	4165	4166	4167	1.33	
-4164	OS1	SLES	1	40.3584	9.90997	5.22362	OSL	4163	4168	0	0	-0.28	
-4165	OS2	SLES	1	41.6242	11.0908	7.03379	O2L	4163	0	0	0	-0.65	
-4166	OS3	SLES	1	41.8329	11.8871	4.8107	O2L	4163	0	0	0	-0.65	
-4167	OS4	SLES	1	39.8677	12.36	6.05895	O2L	4163	0	0	0	-0.65	
-4168	C2	SLES	1	38.8701	9.8609	5.27707	CC32A	4164	4169	4170	4171	-0.11	
-4169	H2A	SLES	1	38.5032	10.068	6.32094	HCA2	4168	0	0	0	0.09	
-4170	H2B	SLES	1	38.4617	10.6481	4.58444	HCA2	4168	0	0	0	0.09	
-4171	C1	SLES	1	38.3704	8.4138	4.80596	CC32A	4168	4172	4173	4174	-0.01	
-4172	H1B	SLES	1	38.8437	7.62569	5.43571	HCA2	4171	0	0	0	0.09	
-4173	H1A	SLES	1	38.6546	8.24201	3.7416	HCA2	4171	0	0	0	0.09	
-4174	O1	SLES	1	36.9363	8.07006	4.86185	OC30A	4171	4175	0	0	-0.34	
-4175	C2	SLES	1	36.0112	9.1737	4.95556	CC32A	4174	4176	4177	4178	-0.01	
-4176	H2A	SLES	1	36.3179	9.64449	5.91009	HCA2	4175	0	0	0	0.09	
-4177	H2B	SLES	1	36.3321	9.82762	4.11368	HCA2	4175	0	0	0	0.09	
-4178	C1	SLES	1	34.4586	9.0115	4.93109	CC32A	4175	4179	4180	4181	-0.01	
-4179	H1B	SLES	1	34.0772	8.89501	5.96888	HCA2	4178	0	0	0	0.09	
-4180	H1A	SLES	1	34.003	9.91816	4.48501	HCA2	4178	0	0	0	0.09	
-4181	O1	SLES	1	33.7784	7.88827	4.2842	OC30A	4178	4182	0	0	-0.34	
-4182	C1	SLES	1	32.4361	8.19309	3.75564	CTL2	4181	4183	4184	4185	-0.18	
-4183	H11	SLES	1	32.1532	9.18982	4.13987	HAL2	4182	0	0	0	0.09	
-4184	H12	SLES	1	32.6446	8.27674	2.66898	HAL2	4182	0	0	0	0.09	
-4185	C2	SLES	1	31.2514	7.176	3.99687	CTL2	4182	4186	4187	4188	-0.18	
-4186	H21	SLES	1	31.621	6.32509	4.61182	HAL2	4185	0	0	0	0.09	
-4187	H22	SLES	1	30.9179	6.77055	3.01659	HAL2	4185	0	0	0	0.09	
-4188	C3	SLES	1	29.9998	7.8545	4.73947	CTL2	4185	4189	4190	4191	-0.18	
-4189	H31	SLES	1	29.9964	7.53629	5.80579	HAL2	4188	0	0	0	0.09	
-4190	H32	SLES	1	30.1182	8.95611	4.7139	HAL2	4188	0	0	0	0.09	
-4191	C4	SLES	1	28.6083	7.47146	4.08434	CTL2	4188	4192	4193	4194	-0.18	
-4192	H41	SLES	1	28.1181	6.69571	4.70891	HAL2	4191	0	0	0	0.09	
-4193	H42	SLES	1	28.7864	7.03758	3.07683	HAL2	4191	0	0	0	0.09	
-4194	C5	SLES	1	27.63	8.72366	3.94371	CTL2	4191	4195	4196	4197	-0.18	
-4195	H51	SLES	1	27.9801	9.53556	4.61876	HAL2	4194	0	0	0	0.09	
-4196	H52	SLES	1	27.6763	9.10443	2.89786	HAL2	4194	0	0	0	0.09	
-4197	C6	SLES	1	26.1345	8.37684	4.2967	CTL2	4194	4198	4199	4200	-0.18	
-4198	H61	SLES	1	26.0456	8.23186	5.39677	HAL2	4197	0	0	0	0.09	
-4199	H62	SLES	1	25.486	9.23768	4.01065	HAL2	4197	0	0	0	0.09	
-4200	C7	SLES	1	25.6234	7.09228	3.57078	CTL2	4197	4201	4202	4203	-0.18	
-4201	H71	SLES	1	25.9726	6.19624	4.13017	HAL2	4200	0	0	0	0.09	
-4202	H72	SLES	1	26.0629	7.05233	2.5492	HAL2	4200	0	0	0	0.09	
-4203	C8	SLES	1	24.0792	7.04489	3.45822	CTL2	4200	4204	4205	4206	-0.18	
-4204	H81	SLES	1	23.6338	7.31057	4.44435	HAL2	4203	0	0	0	0.09	
-4205	H82	SLES	1	23.7451	7.80345	2.71417	HAL2	4203	0	0	0	0.09	
-4206	C9	SLES	1	23.5598	5.65024	3.02753	CTL2	4203	4207	4208	4209	-0.18	
-4207	H91	SLES	1	23.9191	4.88814	3.75586	HAL2	4206	0	0	0	0.09	
-4208	H92	SLES	1	23.9832	5.39772	2.02932	HAL2	4206	0	0	0	0.09	
-4209	C10	SLES	1	22.0159	5.58652	2.95159	CTL2	4206	4210	4211	4212	-0.18	
-4210	H10	SLES	1	21.5926	5.81626	3.95599	HAL2	4209	0	0	0	0.09	
-4211	H10	SLES	1	21.6544	6.36319	2.24013	HAL2	4209	0	0	0	0.09	
-4212	C11	SLES	1	21.5005	4.19746	2.49029	CTL2	4209	4213	4214	4215	-0.18	
-4213	H11	SLES	1	21.8588	3.42513	3.20876	HAL2	4212	0	0	0	0.09	
-4214	H11	SLES	1	21.9406	3.96437	1.49384	HAL2	4212	0	0	0	0.09	
-4215	C12	SLES	1	19.9558	4.1064	2.38802	CTL3	4212	4216	4217	4218	-0.27	
-4216	H12	SLES	1	19.5703	3.30913	3.0611	HAL3	4215	0	0	0	0.09	
-4217	H12	SLES	1	19.6509	3.86796	1.34518	HAL3	4215	0	0	0	0.09	
-4218	H12	SLES	1	19.4908	5.07288	2.68094	HAL3	4215	0	0	0	0.09	
-4219	NA	SLES	1	39.565	18.8364	5.64652	NA	0	0	0	0	1	
-4220	S	SLES	1	36.8085	21.2342	5.59057	SL	4221	4222	4223	4224	1.33	
-4221	OS1	SLES	1	36.6354	19.5867	5.33927	OSL	4220	4225	0	0	-0.28	
-4222	OS2	SLES	1	37.4184	21.3863	6.89534	O2L	4220	0	0	0	-0.65	
-4223	OS3	SLES	1	37.716	21.7049	4.56514	O2L	4220	0	0	0	-0.65	
-4224	OS4	SLES	1	35.5653	21.9863	5.53416	O2L	4220	0	0	0	-0.65	
-4225	C2	SLES	1	35.1919	19.2186	5.30562	CC32A	4221	4226	4227	4228	-0.11	
-4226	H2A	SLES	1	34.6728	19.5608	6.24406	HCA2	4225	0	0	0	0.09	
-4227	H2B	SLES	1	34.7149	19.7239	4.42052	HCA2	4225	0	0	0	0.09	
-4228	C1	SLES	1	35.0535	17.6293	5.16057	CC32A	4225	4229	4230	4231	-0.01	
-4229	H1B	SLES	1	35.601	17.124	5.98918	HCA2	4228	0	0	0	0.09	
-4230	H1A	SLES	1	35.4874	17.2977	4.18848	HCA2	4228	0	0	0	0.09	
-4231	O1	SLES	1	33.7222	16.994	5.20291	OC30A	4228	4232	0	0	-0.34	
-4232	C2	SLES	1	32.5881	17.8557	4.9709	CC32A	4231	4233	4234	4235	-0.01	
-4233	H2A	SLES	1	32.681	18.5797	5.80401	HCA2	4232	0	0	0	0.09	
-4234	H2B	SLES	1	32.8646	18.3652	4.02046	HCA2	4232	0	0	0	0.09	
-4235	C1	SLES	1	31.114	17.3488	4.88444	CC32A	4232	4236	4237	4238	-0.01	
-4236	H1B	SLES	1	30.6472	17.379	5.89299	HCA2	4235	0	0	0	0.09	
-4237	H1A	SLES	1	30.5386	18.0108	4.2068	HCA2	4235	0	0	0	0.09	
-4238	O1	SLES	1	30.7548	15.9885	4.48025	OC30A	4235	4239	0	0	-0.34	
-4239	C1	SLES	1	29.4486	15.8623	3.80794	CTL2	4238	4240	4241	4242	-0.18	
-4240	H11	SLES	1	28.9271	16.8296	3.9248	HAL2	4239	0	0	0	0.09	
-4241	H12	SLES	1	29.7596	15.7515	2.74855	HAL2	4239	0	0	0	0.09	
-4242	C2	SLES	1	28.4749	14.6836	4.20628	CTL2	4239	4243	4244	4245	-0.18	
-4243	H21	SLES	1	28.936	14.0921	5.0287	HAL2	4242	0	0	0	0.09	
-4244	H22	SLES	1	28.3457	14.0101	3.33092	HAL2	4242	0	0	0	0.09	
-4245	C3	SLES	1	27.0347	15.2098	4.68292	CTL2	4242	4246	4247	4248	-0.18	
-4246	H31	SLES	1	26.973	15.1393	5.79175	HAL2	4245	0	0	0	0.09	
-4247	H32	SLES	1	26.9295	16.2772	4.4039	HAL2	4245	0	0	0	0.09	
-4248	C4	SLES	1	25.8346	14.3917	4.0483	CTL2	4245	4249	4250	4251	-0.18	
-4249	H41	SLES	1	25.4433	13.6812	4.80608	HAL2	4248	0	0	0	0.09	
-4250	H42	SLES	1	26.2119	13.7997	3.18671	HAL2	4248	0	0	0	0.09	
-4251	C5	SLES	1	24.6457	15.3315	3.5504	CTL2	4248	4252	4253	4254	-0.18	
-4252	H51	SLES	1	24.7438	16.3283	4.03437	HAL2	4251	0	0	0	0.09	
-4253	H52	SLES	1	24.7341	15.4756	2.44932	HAL2	4251	0	0	0	0.09	
-4254	C6	SLES	1	23.2211	14.7443	3.87738	CTL2	4251	4255	4256	4257	-0.18	
-4255	H61	SLES	1	23.0373	14.8265	4.97215	HAL2	4254	0	0	0	0.09	
-4256	H62	SLES	1	22.4489	15.3545	3.35313	HAL2	4254	0	0	0	0.09	
-4257	C7	SLES	1	23.0681	13.2513	3.44599	CTL2	4254	4258	4259	4260	-0.18	
-4258	H71	SLES	1	23.5249	12.6003	4.22398	HAL2	4257	0	0	0	0.09	
-4259	H72	SLES	1	23.6212	13.089	2.49414	HAL2	4257	0	0	0	0.09	
-4260	C8	SLES	1	21.589	12.8361	3.24741	CTL2	4257	4261	4262	4263	-0.18	
-4261	H81	SLES	1	20.9884	13.2038	4.11085	HAL2	4260	0	0	0	0.09	
-4262	H82	SLES	1	21.1961	13.3197	2.32415	HAL2	4260	0	0	0	0.09	
-4263	C9	SLES	1	21.4162	11.3011	3.12779	CTL2	4260	4264	4265	4266	-0.18	
-4264	H91	SLES	1	21.8362	10.8164	4.0383	HAL2	4263	0	0	0	0.09	
-4265	H92	SLES	1	21.9942	10.9384	2.24808	HAL2	4263	0	0	0	0.09	
-4266	C10	SLES	1	19.9366	10.8785	2.9686	CTL2	4263	4267	4268	4269	-0.18	
-4267	H10	SLES	1	19.3627	11.2209	3.85973	HAL2	4266	0	0	0	0.09	
-4268	H10	SLES	1	19.5096	11.3802	2.07082	HAL2	4266	0	0	0	0.09	
-4269	C11	SLES	1	19.7701	9.34301	2.81823	CTL2	4266	4270	4271	4272	-0.18	
-4270	H11	SLES	1	20.1923	8.84621	3.72156	HAL2	4269	0	0	0	0.09	
-4271	H11	SLES	1	20.3601	9.00286	1.9367	HAL2	4269	0	0	0	0.09	
-4272	C12	SLES	1	18.2983	8.88845	2.63998	CTL3	4269	4273	4274	4275	-0.27	
-4273	H12	SLES	1	18.0074	8.19155	3.45671	HAL3	4272	0	0	0	0.09	
-4274	H12	SLES	1	18.1702	8.36634	1.66615	HAL3	4272	0	0	0	0.09	
-4275	H12	SLES	1	17.6164	9.76631	2.66367	HAL3	4272	0	0	0	0.09	
-4276	NA	SLES	1	33.5409	28.0652	6.27975	NA	0	0	0	0	1	
-4277	S	SLES	1	30.4114	29.7199	5.37491	SL	4278	4279	4280	4281	1.33	
-4278	OS1	SLES	1	30.613	28.0589	5.46293	OSL	4277	4282	0	0	-0.28	
-4279	OS2	SLES	1	30.7539	30.2426	6.68142	O2L	4277	0	0	0	-0.65	
-4280	OS3	SLES	1	31.3645	30.1898	4.3914	O2L	4277	0	0	0	-0.65	
-4281	OS4	SLES	1	29.0705	30.1455	5.0071	O2L	4277	0	0	0	-0.65	
-4282	C2	SLES	1	29.2973	27.3716	5.33253	CC32A	4278	4283	4284	4285	-0.11	
-4283	H2A	SLES	1	28.5723	27.7518	6.10521	HCA2	4282	0	0	0	0.09	
-4284	H2B	SLES	1	28.883	27.5846	4.30821	HCA2	4282	0	0	0	0.09	
-4285	C1	SLES	1	29.5033	25.7936	5.51529	CC32A	4282	4286	4287	4288	-0.01	
-4286	H1B	SLES	1	29.9951	25.5863	6.4935	HCA2	4285	0	0	0	0.09	
-4287	H1A	SLES	1	30.1494	25.3979	4.6973	HCA2	4285	0	0	0	0.09	
-4288	O1	SLES	1	28.3365	24.8902	5.52947	OC30A	4285	4289	0	0	-0.34	
-4289	C2	SLES	1	27.1083	25.4135	4.98137	CC32A	4288	4290	4291	4292	-0.01	
-4290	H2A	SLES	1	26.9161	26.2792	5.64511	HCA2	4289	0	0	0	0.09	
-4291	H2B	SLES	1	27.4318	25.7903	3.98503	HCA2	4289	0	0	0	0.09	
-4292	C1	SLES	1	25.7995	24.5768	4.82578	CC32A	4289	4293	4294	4295	-0.01	
-4293	H1B	SLES	1	25.1753	24.6834	5.7396	HCA2	4292	0	0	0	0.09	
-4294	H1A	SLES	1	25.2245	24.9551	3.95692	HCA2	4292	0	0	0	0.09	
-4295	O1	SLES	1	25.7896	23.1202	4.68136	OC30A	4292	4296	0	0	-0.34	
-4296	C1	SLES	1	24.6644	22.5791	3.89702	CTL2	4295	4297	4298	4299	-0.18	
-4297	H11	SLES	1	23.9492	23.4066	3.73938	HAL2	4296	0	0	0	0.09	
-4298	H12	SLES	1	25.1625	22.3506	2.93211	HAL2	4296	0	0	0	0.09	
-4299	C2	SLES	1	23.8919	21.3024	4.41631	CTL2	4296	4300	4301	4302	-0.18	
-4300	H21	SLES	1	24.3184	20.9919	5.39639	HAL2	4299	0	0	0	0.09	
-4301	H22	SLES	1	24.0461	20.469	3.69639	HAL2	4299	0	0	0	0.09	
-4302	C3	SLES	1	22.3172	21.5644	4.58935	CTL2	4299	4303	4304	4305	-0.18	
-4303	H31	SLES	1	22.0878	21.6853	5.67151	HAL2	4302	0	0	0	0.09	
-4304	H32	SLES	1	22.0499	22.5104	4.07755	HAL2	4302	0	0	0	0.09	
-4305	C4	SLES	1	21.4257	20.3925	4.00269	CTL2	4302	4306	4307	4308	-0.18	
-4306	H41	SLES	1	21.0631	19.7621	4.8413	HAL2	4305	0	0	0	0.09	
-4307	H42	SLES	1	22.0505	19.7551	3.34059	HAL2	4305	0	0	0	0.09	
-4308	C5	SLES	1	20.1732	20.9295	3.17348	CTL2	4305	4309	4310	4311	-0.18	
-4309	H51	SLES	1	19.9897	21.9935	3.44109	HAL2	4308	0	0	0	0.09	
-4310	H52	SLES	1	20.4125	20.8865	2.08637	HAL2	4308	0	0	0	0.09	
-4311	C6	SLES	1	18.8594	20.1028	3.44179	CTL2	4308	4312	4313	4314	-0.18	
-4312	H61	SLES	1	18.484	20.3393	4.46267	HAL2	4311	0	0	0	0.09	
-4313	H62	SLES	1	18.0793	20.4146	2.70861	HAL2	4311	0	0	0	0.09	
-4314	C7	SLES	1	19.0797	18.5613	3.32465	CTL2	4311	4315	4316	4317	-0.18	
-4315	H71	SLES	1	19.5212	18.1848	4.27389	HAL2	4314	0	0	0	0.09	
-4316	H72	SLES	1	19.8041	18.3584	2.50462	HAL2	4314	0	0	0	0.09	
-4317	C8	SLES	1	17.7663	17.7908	3.04015	CTL2	4314	4318	4319	4320	-0.18	
-4318	H81	SLES	1	16.97	18.1631	3.72472	HAL2	4317	0	0	0	0.09	
-4319	H82	SLES	1	17.4439	17.9952	1.9938	HAL2	4317	0	0	0	0.09	
-4320	C9	SLES	1	17.9241	16.2615	3.23173	CTL2	4317	4321	4322	4323	-0.18	
-4321	H91	SLES	1	18.2751	16.0598	4.26928	HAL2	4320	0	0	0	0.09	
-4322	H92	SLES	1	18.7003	15.8858	2.52756	HAL2	4320	0	0	0	0.09	
-4323	C10	SLES	1	16.6052	15.4909	2.98692	CTL2	4320	4324	4325	4326	-0.18	
-4324	H10	SLES	1	15.835	15.8502	3.70699	HAL2	4323	0	0	0	0.09	
-4325	H10	SLES	1	16.242	15.7096	1.95721	HAL2	4323	0	0	0	0.09	
-4326	C11	SLES	1	16.7742	13.9569	3.14958	CTL2	4323	4327	4328	4329	-0.18	
-4327	H11	SLES	1	17.131	13.7429	4.18304	HAL2	4326	0	0	0	0.09	
-4328	H11	SLES	1	17.5579	13.6052	2.44029	HAL2	4326	0	0	0	0.09	
-4329	C12	SLES	1	15.4723	13.1542	2.89409	CTL3	4326	4330	4331	4332	-0.27	
-4330	H12	SLES	1	15.1943	12.5704	3.79922	HAL3	4329	0	0	0	0.09	
-4331	H12	SLES	1	15.6138	12.4479	2.04646	HAL3	4329	0	0	0	0.09	
-4332	H12	SLES	1	14.6354	13.8426	2.64567	HAL3	4329	0	0	0	0.09	
-4333	NA	SLES	1	25.2882	35.5704	6.88014	NA	0	0	0	0	1	
-4334	S	SLES	1	22.1478	36.328	5.17297	SL	4335	4336	4337	4338	1.33	
-4335	OS1	SLES	1	22.652	34.7847	5.58681	OSL	4334	4339	0	0	-0.28	
-4336	OS2	SLES	1	22.1034	37.0873	6.40546	O2L	4334	0	0	0	-0.65	
-4337	OS3	SLES	1	23.1708	36.8654	4.30039	O2L	4334	0	0	0	-0.65	
-4338	OS4	SLES	1	20.8543	36.3822	4.5109	O2L	4334	0	0	0	-0.65	
-4339	C2	SLES	1	21.5542	33.8038	5.35609	CC32A	4335	4340	4341	4342	-0.11	
-4340	H2A	SLES	1	20.625	34.1096	5.91312	HCA2	4339	0	0	0	0.09	
-4341	H2B	SLES	1	21.326	33.7758	4.25455	HCA2	4339	0	0	0	0.09	
-4342	C1	SLES	1	22.0266	32.3544	5.84782	CC32A	4339	4343	4344	4345	-0.01	
-4343	H1B	SLES	1	22.3375	32.3995	6.91698	HCA2	4342	0	0	0	0.09	
-4344	H1A	SLES	1	22.8926	32.0097	5.23608	HCA2	4342	0	0	0	0.09	
-4345	O1	SLES	1	21.0845	31.2188	5.82102	OC30A	4342	4346	0	0	-0.34	
-4346	C2	SLES	1	19.9168	31.3684	4.98632	CC32A	4345	4347	4348	4349	-0.01	
-4347	H2A	SLES	1	19.4243	32.2491	5.44336	HCA2	4346	0	0	0	0.09	
-4348	H2B	SLES	1	20.3574	31.6706	4.00963	HCA2	4346	0	0	0	0.09	
-4349	C1	SLES	1	18.8603	30.2418	4.75879	CC32A	4346	4350	4351	4352	-0.01	
-4350	H1B	SLES	1	18.0528	30.3258	5.51833	HCA2	4349	0	0	0	0.09	
-4351	H1A	SLES	1	18.4134	30.3573	3.75107	HCA2	4349	0	0	0	0.09	
-4352	O1	SLES	1	19.1692	28.8156	4.8749	OC30A	4349	4353	0	0	-0.34	
-4353	C1	SLES	1	18.3597	27.9306	4.01729	CTL2	4352	4354	4355	4356	-0.18	
-4354	H11	SLES	1	17.5429	28.5436	3.59525	HAL2	4353	0	0	0	0.09	
-4355	H12	SLES	1	19.081	27.6933	3.20814	HAL2	4353	0	0	0	0.09	
-4356	C2	SLES	1	17.7654	26.5937	4.61377	CTL2	4353	4357	4358	4359	-0.18	
-4357	H21	SLES	1	18.0337	26.5246	5.69176	HAL2	4356	0	0	0	0.09	
-4358	H22	SLES	1	18.2265	25.7279	4.09002	HAL2	4356	0	0	0	0.09	
-4359	C3	SLES	1	16.1688	26.51	4.46465	CTL2	4356	4360	4361	4362	-0.18	
-4360	H31	SLES	1	15.7021	26.7208	5.4526	HAL2	4359	0	0	0	0.09	
-4361	H32	SLES	1	15.8307	27.2915	3.75535	HAL2	4359	0	0	0	0.09	
-4362	C4	SLES	1	15.6675	25.097	3.95037	CTL2	4359	4363	4364	4365	-0.18	
-4363	H41	SLES	1	15.2722	24.5201	4.81236	HAL2	4362	0	0	0	0.09	
-4364	H42	SLES	1	16.5289	24.5355	3.52882	HAL2	4362	0	0	0	0.09	
-4365	C5	SLES	1	14.5317	25.2162	2.83663	CTL2	4362	4366	4367	4368	-0.18	
-4366	H51	SLES	1	14.0899	26.2364	2.87618	HAL2	4365	0	0	0	0.09	
-4367	H52	SLES	1	14.9935	25.082	1.83181	HAL2	4365	0	0	0	0.09	
-4368	C6	SLES	1	13.3812	24.1554	3.01732	CTL2	4365	4369	4370	4371	-0.18	
-4369	H61	SLES	1	12.7643	24.4361	3.90033	HAL2	4368	0	0	0	0.09	
-4370	H62	SLES	1	12.7229	24.1785	2.1176	HAL2	4368	0	0	0	0.09	
-4371	C7	SLES	1	13.9218	22.7038	3.21438	CTL2	4368	4372	4373	4374	-0.18	
-4372	H71	SLES	1	14.2239	22.5703	4.27676	HAL2	4371	0	0	0	0.09	
-4373	H72	SLES	1	14.8251	22.5625	2.57999	HAL2	4371	0	0	0	0.09	
-4374	C8	SLES	1	12.8745	21.6223	2.84945	CTL2	4371	4375	4376	4377	-0.18	
-4375	H81	SLES	1	11.8966	21.8922	3.31024	HAL2	4374	0	0	0	0.09	
-4376	H82	SLES	1	12.7405	21.6039	1.74386	HAL2	4374	0	0	0	0.09	
-4377	C9	SLES	1	13.2892	20.21	3.33283	CTL2	4374	4378	4379	4380	-0.18	
-4378	H91	SLES	1	13.4517	20.2364	4.4343	HAL2	4377	0	0	0	0.09	
-4379	H92	SLES	1	14.2525	19.9296	2.85021	HAL2	4377	0	0	0	0.09	
-4380	C10	SLES	1	12.2284	19.1326	3.00542	CTL2	4377	4381	4382	4383	-0.18	
-4381	H10	SLES	1	11.2708	19.4007	3.50739	HAL2	4380	0	0	0	0.09	
-4382	H10	SLES	1	12.0491	19.1209	1.90643	HAL2	4380	0	0	0	0.09	
-4383	C11	SLES	1	12.6607	17.7144	3.46351	CTL2	4380	4384	4385	4386	-0.18	
-4384	H11	SLES	1	12.8321	17.7297	4.5642	HAL2	4383	0	0	0	0.09	
-4385	H11	SLES	1	13.6275	17.4582	2.97296	HAL2	4383	0	0	0	0.09	
-4386	C12	SLES	1	11.6248	16.6084	3.13438	CTL3	4383	4387	4388	4389	-0.27	
-4387	H12	SLES	1	11.2876	16.1048	4.06712	HAL3	4386	0	0	0	0.09	
-4388	H12	SLES	1	12.075	15.845	2.4622	HAL3	4386	0	0	0	0.09	
-4389	H12	SLES	1	10.7376	17.0473	2.62807	HAL3	4386	0	0	0	0.09	
-4390	NA	SLES	1	15.2899	40.7847	7.40999	NA	0	0	0	0	1	
-4391	S	SLES	1	12.5479	40.6766	4.99743	SL	4392	4393	4394	4395	1.33	
-4392	OS1	SLES	1	13.2418	39.3246	5.70314	OSL	4391	4396	0	0	-0.28	
-4393	OS2	SLES	1	12.0652	41.5026	6.0848	O2L	4391	0	0	0	-0.65	
-4394	OS3	SLES	1	13.6163	41.359	4.29782	O2L	4391	0	0	0	-0.65	
-4395	OS4	SLES	1	11.4608	40.385	4.07674	O2L	4391	0	0	0	-0.65	
-4396	C2	SLES	1	12.4487	38.1066	5.37483	CC32A	4392	4397	4398	4399	-0.11	
-4397	H2A	SLES	1	11.3733	38.2388	5.67986	HCA2	4396	0	0	0	0.09	
-4398	H2B	SLES	1	12.4942	37.9397	4.26292	HCA2	4396	0	0	0	0.09	
-4399	C1	SLES	1	13.0753	36.8449	6.13726	CC32A	4396	4400	4401	4402	-0.01	
-4400	H1B	SLES	1	13.1126	37.0443	7.233	HCA2	4399	0	0	0	0.09	
-4401	H1A	SLES	1	14.1113	36.6562	5.77096	HCA2	4399	0	0	0	0.09	
-4402	O1	SLES	1	12.414	35.5279	6.05924	OC30A	4399	4403	0	0	-0.34	
-4403	C2	SLES	1	11.4677	35.3434	4.98543	CC32A	4402	4404	4405	4406	-0.01	
-4404	H2A	SLES	1	10.7153	36.1242	5.21146	HCA2	4403	0	0	0	0.09	
-4405	H2B	SLES	1	12.0538	35.6578	4.09272	HCA2	4403	0	0	0	0.09	
-4406	C1	SLES	1	10.7426	33.9933	4.68768	CC32A	4403	4407	4408	4409	-0.01	
-4407	H1B	SLES	1	9.78028	33.9538	5.24308	HCA2	4406	0	0	0	0.09	
-4408	H1A	SLES	1	10.5291	33.9242	3.60219	HCA2	4406	0	0	0	0.09	
-4409	O1	SLES	1	11.2965	32.6873	5.0487	OC30A	4406	4410	0	0	-0.34	
-4410	C1	SLES	1	10.9047	31.577	4.16118	CTL2	4409	4411	4412	4413	-0.18	
-4411	H11	SLES	1	10.1026	31.9546	3.50146	HAL2	4410	0	0	0	0.09	
-4412	H12	SLES	1	11.8274	31.4443	3.55928	HAL2	4410	0	0	0	0.09	
-4413	C2	SLES	1	10.4694	30.1928	4.78625	CTL2	4410	4414	4415	4416	-0.18	
-4414	H21	SLES	1	10.4871	30.2724	5.89627	HAL2	4413	0	0	0	0.09	
-4415	H22	SLES	1	11.2046	29.414	4.48709	HAL2	4413	0	0	0	0.09	
-4416	C3	SLES	1	9.00211	29.7401	4.31664	CTL2	4413	4417	4418	4419	-0.18	
-4417	H31	SLES	1	8.28525	29.9188	5.14879	HAL2	4416	0	0	0	0.09	
-4418	H32	SLES	1	8.68849	30.366	3.45755	HAL2	4416	0	0	0	0.09	
-4419	C4	SLES	1	8.92974	28.214	3.89463	CTL2	4416	4420	4421	4422	-0.18	
-4420	H41	SLES	1	8.46876	27.6338	4.72107	HAL2	4419	0	0	0	0.09	
-4421	H42	SLES	1	9.96063	27.8289	3.73955	HAL2	4419	0	0	0	0.09	
-4422	C5	SLES	1	8.08494	27.9848	2.56101	CTL2	4419	4423	4424	4425	-0.18	
-4423	H51	SLES	1	7.45004	28.8791	2.37514	HAL2	4422	0	0	0	0.09	
-4424	H52	SLES	1	8.78567	27.878	1.70164	HAL2	4422	0	0	0	0.09	
-4425	C6	SLES	1	7.16196	26.7101	2.63062	CTL2	4422	4426	4427	4428	-0.18	
-4426	H61	SLES	1	6.31259	26.9145	3.32048	HAL2	4425	0	0	0	0.09	
-4427	H62	SLES	1	6.74084	26.5123	1.61723	HAL2	4425	0	0	0	0.09	
-4428	C7	SLES	1	7.92257	25.4381	3.12211	CTL2	4425	4429	4430	4431	-0.18	
-4429	H71	SLES	1	7.98911	25.4615	4.23242	HAL2	4428	0	0	0	0.09	
-4430	H72	SLES	1	8.95832	25.4535	2.7155	HAL2	4428	0	0	0	0.09	
-4431	C8	SLES	1	7.22914	24.1229	2.68731	CTL2	4428	4432	4433	4434	-0.18	
-4432	H81	SLES	1	6.13702	24.2016	2.89343	HAL2	4431	0	0	0	0.09	
-4433	H82	SLES	1	7.36328	23.9864	1.59005	HAL2	4431	0	0	0	0.09	
-4434	C9	SLES	1	7.79534	22.8836	3.42474	CTL2	4431	4435	4436	4437	-0.18	
-4435	H91	SLES	1	7.68772	23.034	4.52298	HAL2	4434	0	0	0	0.09	
-4436	H92	SLES	1	8.8808	22.7896	3.19573	HAL2	4434	0	0	0	0.09	
-4437	C10	SLES	1	7.07945	21.5723	3.02292	CTL2	4434	4438	4439	4440	-0.18	
-4438	H10	SLES	1	5.99742	21.6572	3.27346	HAL2	4437	0	0	0	0.09	
-4439	H10	SLES	1	7.16762	21.4326	1.92168	HAL2	4437	0	0	0	0.09	
-4440	C11	SLES	1	7.6695	20.3293	3.74031	CTL2	4437	4441	4442	4443	-0.18	
-4441	H11	SLES	1	7.57275	20.4708	4.84109	HAL2	4440	0	0	0	0.09	
-4442	H11	SLES	1	8.75524	20.2589	3.50124	HAL2	4440	0	0	0	0.09	
-4443	C12	SLES	1	6.98352	18.9957	3.34576	CTL3	4440	4444	4445	4446	-0.27	
-4444	H12	SLES	1	6.54657	18.5054	4.24356	HAL3	4443	0	0	0	0.09	
-4445	H12	SLES	1	7.72227	18.3019	2.88727	HAL3	4443	0	0	0	0.09	
-4446	H12	SLES	1	6.16918	19.1816	2.61197	HAL3	4443	0	0	0	0.09	
-4447	NA	SLES	1	4.18871	43.2797	7.83598	NA	0	0	0	0	1	
-4448	S	SLES	1	2.20805	42.5267	4.85933	SL	4449	4450	4451	4452	1.33	
-4449	OS1	SLES	1	2.9722	41.3735	5.80461	OSL	4448	4453	0	0	-0.28	
-4450	OS2	SLES	1	1.31229	43.248	5.7396	O2L	4448	0	0	0	-0.65	
-4451	OS3	SLES	1	3.25	43.4126	4.38386	O2L	4448	0	0	0	-0.65	
-4452	OS4	SLES	1	1.46566	41.9862	3.73189	O2L	4448	0	0	0	-0.65	
-4453	C2	SLES	1	2.5549	40.0052	5.38758	CC32A	4449	4454	4455	4456	-0.11	
-4454	H2A	SLES	1	1.43419	39.9047	5.42008	HCA2	4453	0	0	0	0.09	
-4455	H2B	SLES	1	2.90593	39.8307	4.3328	HCA2	4453	0	0	0	0.09	
-4456	C1	SLES	1	3.22268	38.9265	6.36544	CC32A	4453	4457	4458	4459	-0.01	
-4457	H1B	SLES	1	2.94725	39.1506	7.42171	HCA2	4456	0	0	0	0.09	
-4458	H1A	SLES	1	4.33284	38.9621	6.26834	HCA2	4456	0	0	0	0.09	
-4459	O1	SLES	1	2.88908	37.4954	6.22917	OC30A	4456	4460	0	0	-0.34	
-4460	C2	SLES	1	2.29535	37.0872	4.97877	CC32A	4459	4461	4462	4463	-0.01	
-4461	H2A	SLES	1	1.3653	37.6886	4.96396	HCA2	4460	0	0	0	0.09	
-4462	H2B	SLES	1	3.0045	37.5049	4.22907	HCA2	4460	0	0	0	0.09	
-4463	C1	SLES	1	1.96228	35.6055	4.61691	CC32A	4460	4464	4465	4466	-0.01	
-4464	H1B	SLES	1	0.922813	35.3672	4.93115	HCA2	4463	0	0	0	0.09	
-4465	H1A	SLES	1	2.04137	35.4702	3.51963	HCA2	4463	0	0	0	0.09	
-4466	O1	SLES	1	2.66916	34.4599	5.19184	OC30A	4463	4467	0	0	-0.34	
-4467	C1	SLES	1	2.74683	33.2736	4.31966	CTL2	4466	4468	4469	4470	-0.18	
-4468	H11	SLES	1	2.07117	33.4534	3.4639	HAL2	4467	0	0	0	0.09	
-4469	H12	SLES	1	3.79599	33.3344	3.96348	HAL2	4467	0	0	0	0.09	
-4470	C2	SLES	1	2.46835	31.8401	4.92291	CTL2	4467	4471	4472	4473	-0.18	
-4471	H21	SLES	1	2.19571	31.9434	5.99707	HAL2	4470	0	0	0	0.09	
-4472	H22	SLES	1	3.39966	31.2355	4.86264	HAL2	4470	0	0	0	0.09	
-4473	C3	SLES	1	1.28851	31.068	4.15463	CTL2	4470	4474	4475	4476	-0.18	
-4474	H31	SLES	1	0.368111	31.1016	4.77916	HAL2	4473	0	0	0	0.09	
-4475	H32	SLES	1	1.0728	31.5932	3.20287	HAL2	4473	0	0	0	0.09	
-4476	C4	SLES	1	1.64053	29.5552	3.83897	CTL2	4473	4477	4478	4479	-0.18	
-4477	H41	SLES	1	1.12135	28.9044	4.57317	HAL2	4476	0	0	0	0.09	
-4478	H42	SLES	1	2.73465	29.4022	3.95956	HAL2	4476	0	0	0	0.09	
-4479	C5	SLES	1	1.21606	29.1205	2.36395	CTL2	4476	4480	4481	4482	-0.18	
-4480	H51	SLES	1	0.474961	29.8503	1.96946	HAL2	4479	0	0	0	0.09	
-4481	H52	SLES	1	2.11294	29.153	1.70404	HAL2	4479	0	0	0	0.09	
-4482	C6	SLES	1	0.589653	27.6763	2.30601	CTL2	4479	4483	4484	4485	-0.18	
-4483	H61	SLES	1	-0.426545	27.7032	2.75954	HAL2	4482	0	0	0	0.09	
-4484	H62	SLES	1	0.481115	27.3713	1.23894	HAL2	4482	0	0	0	0.09	
-4485	C7	SLES	1	1.45308	26.6115	3.05364	CTL2	4482	4486	4487	4488	-0.18	
-4486	H71	SLES	1	1.23826	26.6707	4.14364	HAL2	4485	0	0	0	0.09	
-4487	H72	SLES	1	2.53049	26.8454	2.90264	HAL2	4485	0	0	0	0.09	
-4488	C8	SLES	1	1.17641	25.1682	2.5639	CTL2	4485	4489	4490	4491	-0.18	
-4489	H81	SLES	1	0.0753589	25.0099	2.50049	HAL2	4488	0	0	0	0.09	
-4490	H82	SLES	1	1.6015	25.0429	1.54203	HAL2	4488	0	0	0	0.09	
-4491	C9	SLES	1	1.7885	24.0976	3.50167	CTL2	4488	4492	4493	4494	-0.18	
-4492	H91	SLES	1	1.38542	24.2422	4.52976	HAL2	4491	0	0	0	0.09	
-4493	H92	SLES	1	2.89204	24.2391	3.54243	HAL2	4491	0	0	0	0.09	
-4494	C10	SLES	1	1.48167	22.6538	3.03834	CTL2	4491	4495	4496	4497	-0.18	
-4495	H10	SLES	1	0.37796	22.5046	3.01991	HAL2	4494	0	0	0	0.09	
-4496	H10	SLES	1	1.86486	22.5153	2.00199	HAL2	4494	0	0	0	0.09	
-4497	C11	SLES	1	2.12204	21.5844	3.96258	CTL2	4494	4498	4499	4500	-0.18	
-4498	H11	SLES	1	1.73046	21.7228	4.99632	HAL2	4497	0	0	0	0.09	
-4499	H11	SLES	1	3.22342	21.7488	3.99195	HAL2	4497	0	0	0	0.09	
-4500	C12	SLES	1	1.84635	20.1255	3.51494	CTL3	4497	4501	4502	4503	-0.27	
-4501	H12	SLES	1	1.31373	19.5691	4.31746	HAL3	4500	0	0	0	0.09	
-4502	H12	SLES	1	2.80256	19.6015	3.29495	HAL3	4500	0	0	0	0.09	
-4503	H12	SLES	1	1.21712	20.1142	2.59839	HAL3	4500	0	0	0	0.09	
-4504	NA	SLES	1	-7.25615	42.8172	8.13137	NA	0	0	0	0	1	
-4505	S	SLES	1	-8.24433	41.7889	4.76735	SL	4506	4507	4508	4509	1.33	
-4506	OS1	SLES	1	-7.50303	40.7844	5.88485	OSL	4505	4510	0	0	-0.28	
-4507	OS2	SLES	1	-9.46069	42.2668	5.39153	O2L	4505	0	0	0	-0.65	
-4508	OS3	SLES	1	-7.33393	42.8943	4.5531	O2L	4505	0	0	0	-0.65	
-4509	OS4	SLES	1	-8.55629	41.1518	3.49802	O2L	4505	0	0	0	-0.65	
-4510	C2	SLES	1	-7.50194	39.3777	5.39353	CC32A	4506	4511	4512	4513	-0.11	
-4511	H2A	SLES	1	-8.54823	39.0413	5.15011	HCA2	4510	0	0	0	0.09	
-4512	H2B	SLES	1	-6.87609	39.326	4.45978	HCA2	4510	0	0	0	0.09	
-4513	C1	SLES	1	-6.87574	38.4241	6.518	CC32A	4510	4514	4515	4516	-0.01	
-4514	H1B	SLES	1	-7.4411	38.5402	7.47125	HCA2	4513	0	0	0	0.09	
-4515	H1A	SLES	1	-5.80975	38.6976	6.69697	HCA2	4513	0	0	0	0.09	
-4516	O1	SLES	1	-6.85017	36.9619	6.32012	OC30A	4513	4517	0	0	-0.34	
-4517	C2	SLES	1	-7.02014	36.4907	4.96674	CC32A	4516	4518	4519	4520	-0.01	
-4518	H2A	SLES	1	-8.02565	36.882	4.71642	HCA2	4517	0	0	0	0.09	
-4519	H2B	SLES	1	-6.2571	37.08	4.41011	HCA2	4517	0	0	0	0.09	
-4520	C1	SLES	1	-6.92838	34.9887	4.55094	CC32A	4517	4521	4522	4523	-0.01	
-4521	H1B	SLES	1	-7.93663	34.523	4.60215	HCA2	4520	0	0	0	0.09	
-4522	H1A	SLES	1	-6.55785	34.9195	3.50857	HCA2	4520	0	0	0	0.09	
-4523	O1	SLES	1	-6.15289	33.995	5.29533	OC30A	4520	4524	0	0	-0.34	
-4524	C1	SLES	1	-5.61221	32.8899	4.48277	CTL2	4523	4525	4526	4527	-0.18	
-4525	H11	SLES	1	-6.08208	32.9588	3.48495	HAL2	4524	0	0	0	0.09	
-4526	H12	SLES	1	-4.5464	33.186	4.39533	HAL2	4524	0	0	0	0.09	
-4527	C2	SLES	1	-5.71369	31.4058	5.01517	CTL2	4524	4528	4529	4530	-0.18	
-4528	H21	SLES	1	-6.25476	31.4036	5.98782	HAL2	4527	0	0	0	0.09	
-4529	H22	SLES	1	-4.68803	31.0147	5.19308	HAL2	4527	0	0	0	0.09	
-4530	C3	SLES	1	-6.47683	30.4349	3.98881	CTL2	4527	4531	4532	4533	-0.18	
-4531	H31	SLES	1	-7.50637	30.2468	4.36694	HAL2	4530	0	0	0	0.09	
-4532	H32	SLES	1	-6.56265	30.9423	3.0073	HAL2	4530	0	0	0	0.09	
-4533	C4	SLES	1	-5.7416	29.0453	3.78688	CTL2	4530	4534	4535	4536	-0.18	
-4534	H41	SLES	1	-6.27099	28.2691	4.37796	HAL2	4533	0	0	0	0.09	
-4535	H42	SLES	1	-4.7031	29.1221	4.17502	HAL2	4533	0	0	0	0.09	
-4536	C5	SLES	1	-5.69118	28.5934	2.25782	CTL2	4533	4537	4538	4539	-0.18	
-4537	H51	SLES	1	-6.45337	29.1661	1.68462	HAL2	4536	0	0	0	0.09	
-4538	H52	SLES	1	-4.68952	28.8426	1.83885	HAL2	4536	0	0	0	0.09	
-4539	C6	SLES	1	-5.95879	27.0533	2.06386	CTL2	4536	4540	4541	4542	-0.18	
-4540	H61	SLES	1	-7.03594	26.8455	2.25276	HAL2	4539	0	0	0	0.09	
-4541	H62	SLES	1	-5.73656	26.7775	1.0065	HAL2	4539	0	0	0	0.09	
-4542	C7	SLES	1	-5.09459	26.1644	3.01326	CTL2	4539	4543	4544	4545	-0.18	
-4543	H71	SLES	1	-5.57533	26.1307	4.01601	HAL2	4542	0	0	0	0.09	
-4544	H72	SLES	1	-4.08916	26.6269	3.12965	HAL2	4542	0	0	0	0.09	
-4545	C8	SLES	1	-4.92668	24.7172	2.48699	CTL2	4542	4546	4547	4548	-0.18	
-4546	H81	SLES	1	-5.91865	24.3326	2.15612	HAL2	4545	0	0	0	0.09	
-4547	H82	SLES	1	-4.24937	24.7278	1.60281	HAL2	4545	0	0	0	0.09	
-4548	C9	SLES	1	-4.34515	23.7615	3.55881	CTL2	4545	4549	4550	4551	-0.18	
-4549	H91	SLES	1	-5.00731	23.7741	4.4542	HAL2	4548	0	0	0	0.09	
-4550	H92	SLES	1	-3.34172	24.1312	3.86853	HAL2	4548	0	0	0	0.09	
-4551	C10	SLES	1	-4.21208	22.3063	3.05069	CTL2	4548	4552	4553	4554	-0.18	
-4552	H10	SLES	1	-5.21945	21.9282	2.76265	HAL2	4551	0	0	0	0.09	
-4553	H10	SLES	1	-3.56804	22.2958	2.14232	HAL2	4551	0	0	0	0.09	
-4554	C11	SLES	1	-3.60077	21.3584	4.11635	CTL2	4551	4555	4556	4557	-0.18	
-4555	H11	SLES	1	-4.2521	21.3671	5.02013	HAL2	4554	0	0	0	0.09	
-4556	H11	SLES	1	-2.60154	21.7505	4.41424	HAL2	4554	0	0	0	0.09	
-4557	C12	SLES	1	-3.43882	19.8945	3.63129	CTL3	4554	4558	4559	4560	-0.27	
-4558	H12	SLES	1	-4.01784	19.2047	4.28418	HAL3	4557	0	0	0	0.09	
-4559	H12	SLES	1	-2.36816	19.5941	3.65963	HAL3	4557	0	0	0	0.09	
-4560	H12	SLES	1	-3.80887	19.7891	2.58817	HAL3	4557	0	0	0	0.09	
-4561	NA	SLES	1	-18.2325	39.3845	8.27758	NA	0	0	0	0	1	
-4562	S	SLES	1	-18.185	38.5223	4.72726	SL	4563	4564	4565	4566	1.33	
-4563	OS1	SLES	1	-17.5096	37.5824	5.9388	OSL	4562	4567	0	0	-0.28	
-4564	OS2	SLES	1	-19.5855	38.676	5.06248	O2L	4562	0	0	0	-0.65	
-4565	OS3	SLES	1	-17.5189	39.8062	4.79492	O2L	4562	0	0	0	-0.65	
-4566	OS4	SLES	1	-18.0539	37.9669	3.38983	O2L	4562	0	0	0	-0.65	
-4567	C2	SLES	1	-17.0853	36.2627	5.39231	CC32A	4563	4568	4569	4570	-0.11	
-4568	H2A	SLES	1	-17.9484	35.7462	4.88691	HCA2	4567	0	0	0	0.09	
-4569	H2B	SLES	1	-16.2702	36.4348	4.6359	HCA2	4567	0	0	0	0.09	
-4570	C1	SLES	1	-16.532	35.3483	6.58538	CC32A	4567	4571	4572	4573	-0.01	
-4571	H1B	SLES	1	-17.3085	35.2492	7.37851	HCA2	4570	0	0	0	0.09	
-4572	H1A	SLES	1	-15.6218	35.8141	7.02991	HCA2	4570	0	0	0	0.09	
-4573	O1	SLES	1	-16.1382	33.9498	6.32638	OC30A	4570	4574	0	0	-0.34	
-4574	C2	SLES	1	-15.8904	33.5933	4.95011	CC32A	4573	4575	4576	4577	-0.01	
-4575	H2A	SLES	1	-16.875	33.7944	4.4844	HCA2	4574	0	0	0	0.09	
-4576	H2B	SLES	1	-15.1724	34.3793	4.62446	HCA2	4574	0	0	0	0.09	
-4577	C1	SLES	1	-15.3759	32.1918	4.49391	CC32A	4574	4578	4579	4580	-0.01	
-4578	H1B	SLES	1	-16.2403	31.5273	4.27674	HCA2	4577	0	0	0	0.09	
-4579	H1A	SLES	1	-14.7746	32.3057	3.56972	HCA2	4577	0	0	0	0.09	
-4580	O1	SLES	1	-14.5866	31.3072	5.35266	OC30A	4577	4581	0	0	-0.34	
-4581	C1	SLES	1	-13.6452	30.4239	4.64026	CTL2	4580	4582	4583	4584	-0.18	
-4582	H11	SLES	1	-13.882	30.4961	3.56327	HAL2	4581	0	0	0	0.09	
-4583	H12	SLES	1	-12.6803	30.9387	4.82771	HAL2	4581	0	0	0	0.09	
-4584	C2	SLES	1	-13.5312	28.9042	5.05722	CTL2	4581	4585	4586	4587	-0.18	
-4585	H21	SLES	1	-14.2627	28.6931	5.86909	HAL2	4584	0	0	0	0.09	
-4586	H22	SLES	1	-12.5112	28.7148	5.45764	HAL2	4584	0	0	0	0.09	
-4587	C3	SLES	1	-13.8086	27.907	3.82957	CTL2	4584	4588	4589	4590	-0.18	
-4588	H31	SLES	1	-14.8285	27.4754	3.93803	HAL2	4587	0	0	0	0.09	
-4589	H32	SLES	1	-13.7821	28.483	2.88313	HAL2	4587	0	0	0	0.09	
-4590	C4	SLES	1	-12.7567	26.7246	3.74165	CTL2	4587	4591	4592	4593	-0.18	
-4591	H41	SLES	1	-13.2192	25.8009	4.1477	HAL2	4590	0	0	0	0.09	
-4592	H42	SLES	1	-11.8758	26.9721	4.37238	HAL2	4590	0	0	0	0.09	
-4593	C5	SLES	1	-12.2646	26.4498	2.2493	CTL2	4590	4594	4595	4596	-0.18	
-4594	H51	SLES	1	-12.9861	26.9098	1.53853	HAL2	4593	0	0	0	0.09	
-4595	H52	SLES	1	-11.2755	26.9394	2.0976	HAL2	4593	0	0	0	0.09	
-4596	C6	SLES	1	-12.1324	24.9152	1.91941	CTL2	4593	4597	4598	4599	-0.18	
-4597	H61	SLES	1	-13.1506	24.4738	1.83199	HAL2	4596	0	0	0	0.09	
-4598	H62	SLES	1	-11.6225	24.7992	0.934512	HAL2	4596	0	0	0	0.09	
-4599	C7	SLES	1	-11.3284	24.13	3.00352	CTL2	4596	4600	4601	4602	-0.18	
-4600	H71	SLES	1	-12.0024	23.8975	3.85755	HAL2	4599	0	0	0	0.09	
-4601	H72	SLES	1	-10.5035	24.7738	3.38228	HAL2	4599	0	0	0	0.09	
-4602	C8	SLES	1	-10.7289	22.8085	2.46139	CTL2	4599	4603	4604	4605	-0.18	
-4603	H81	SLES	1	-11.5101	22.265	1.88195	HAL2	4602	0	0	0	0.09	
-4604	H82	SLES	1	-9.88997	23.0467	1.76858	HAL2	4602	0	0	0	0.09	
-4605	C9	SLES	1	-10.2057	21.8881	3.59254	CTL2	4602	4606	4607	4608	-0.18	
-4606	H91	SLES	1	-11.038	21.6745	4.30105	HAL2	4605	0	0	0	0.09	
-4607	H92	SLES	1	-9.40563	22.4217	4.15352	HAL2	4605	0	0	0	0.09	
-4608	C10	SLES	1	-9.64169	20.5499	3.0592	CTL2	4605	4609	4610	4611	-0.18	
-4609	H10	SLES	1	-10.4485	20.0052	2.51787	HAL2	4608	0	0	0	0.09	
-4610	H10	SLES	1	-8.82412	20.7632	2.33385	HAL2	4608	0	0	0	0.09	
-4611	C11	SLES	1	-9.09056	19.6438	4.19196	CTL2	4608	4612	4613	4614	-0.18	
-4612	H11	SLES	1	-9.9136	19.4278	4.91102	HAL2	4611	0	0	0	0.09	
-4613	H11	SLES	1	-8.29675	20.1994	4.74158	HAL2	4611	0	0	0	0.09	
-4614	C12	SLES	1	-8.50236	18.3006	3.6875	CTL3	4611	4615	4616	4617	-0.27	
-4615	H12	SLES	1	-9.04508	17.4446	4.14581	HAL3	4614	0	0	0	0.09	
-4616	H12	SLES	1	-7.42622	18.2239	3.95838	HAL3	4614	0	0	0	0.09	
-4617	H12	SLES	1	-8.59547	18.2281	2.58197	HAL3	4614	0	0	0	0.09	
-4618	NA	SLES	1	-27.9489	33.2058	8.26544	NA	0	0	0	0	1	
-4619	S	SLES	1	-27.024	32.9277	4.74158	SL	4620	4621	4622	4623	1.33	
-4620	OS1	SLES	1	-26.399	31.9661	5.96308	OSL	4619	4624	0	0	-0.28	
-4621	OS2	SLES	1	-28.4604	32.7457	4.77312	O2L	4619	0	0	0	-0.65	
-4622	OS3	SLES	1	-26.6929	34.2925	5.0941	O2L	4619	0	0	0	-0.65	
-4623	OS4	SLES	1	-26.515	32.6223	3.41412	O2L	4619	0	0	0	-0.65	
-4624	C2	SLES	1	-25.5888	30.8577	5.38399	CC32A	4620	4625	4626	4627	-0.11	
-4625	H2A	SLES	1	-26.198	30.2636	4.64701	HCA2	4624	0	0	0	0.09	
-4626	H2B	SLES	1	-24.7041	31.3032	4.85008	HCA2	4624	0	0	0	0.09	
-4627	C1	SLES	1	-25.0826	29.8992	6.56333	CC32A	4624	4628	4629	4630	-0.01	
-4628	H1B	SLES	1	-25.954	29.5264	7.14932	HCA2	4627	0	0	0	0.09	
-4629	H1A	SLES	1	-24.4051	30.463	7.24624	HCA2	4627	0	0	0	0.09	
-4630	O1	SLES	1	-24.3389	28.6642	6.24756	OC30A	4627	4631	0	0	-0.34	
-4631	C2	SLES	1	-23.7563	28.5807	4.92991	CC32A	4630	4632	4633	4634	-0.01	
-4632	H2A	SLES	1	-24.6523	28.6507	4.28246	HCA2	4631	0	0	0	0.09	
-4633	H2B	SLES	1	-23.1868	29.5346	4.85867	HCA2	4631	0	0	0	0.09	
-4634	C1	SLES	1	-22.8588	27.3971	4.4494	CC32A	4631	4635	4636	4637	-0.01	
-4635	H1B	SLES	1	-23.4912	26.6152	3.97537	HCA2	4634	0	0	0	0.09	
-4636	H1A	SLES	1	-22.1328	27.7695	3.69923	HCA2	4634	0	0	0	0.09	
-4637	O1	SLES	1	-22.0697	26.5661	5.36024	OC30A	4634	4638	0	0	-0.34	
-4638	C1	SLES	1	-20.8331	26.0086	4.78224	CTL2	4637	4639	4640	4641	-0.18	
-4639	H11	SLES	1	-20.8682	26.1972	3.69395	HAL2	4638	0	0	0	0.09	
-4640	H12	SLES	1	-20.0651	26.6702	5.23344	HAL2	4638	0	0	0	0.09	
-4641	C2	SLES	1	-20.4593	24.4964	5.04643	CTL2	4638	4642	4643	4644	-0.18	
-4642	H21	SLES	1	-21.2659	24.0213	5.64837	HAL2	4641	0	0	0	0.09	
-4643	H22	SLES	1	-19.5196	24.4548	5.6397	HAL2	4641	0	0	0	0.09	
-4644	C3	SLES	1	-20.261	23.6652	3.68695	CTL2	4641	4645	4646	4647	-0.18	
-4645	H31	SLES	1	-21.1574	23.0275	3.51938	HAL2	4644	0	0	0	0.09	
-4646	H32	SLES	1	-20.1844	24.3736	2.83817	HAL2	4644	0	0	0	0.09	
-4647	C4	SLES	1	-18.9712	22.7441	3.70611	CTL2	4644	4648	4649	4650	-0.18	
-4648	H41	SLES	1	-19.281	21.6954	3.89686	HAL2	4647	0	0	0	0.09	
-4649	H42	SLES	1	-18.3081	23.0621	4.53925	HAL2	4647	0	0	0	0.09	
-4650	C5	SLES	1	-18.1517	22.8061	2.33892	CTL2	4647	4651	4652	4653	-0.18	
-4651	H51	SLES	1	-18.8081	23.217	1.54035	HAL2	4650	0	0	0	0.09	
-4652	H52	SLES	1	-17.2895	23.5004	2.46405	HAL2	4650	0	0	0	0.09	
-4653	C6	SLES	1	-17.6132	21.3981	1.88172	CTL2	4650	4654	4655	4656	-0.18	
-4654	H61	SLES	1	-18.468	20.7816	1.52366	HAL2	4653	0	0	0	0.09	
-4655	H62	SLES	1	-16.9105	21.5392	1.0275	HAL2	4653	0	0	0	0.09	
-4656	C7	SLES	1	-16.876	20.6315	3.02502	CTL2	4653	4657	4658	4659	-0.18	
-4657	H71	SLES	1	-17.6311	20.1406	3.67821	HAL2	4656	0	0	0	0.09	
-4658	H72	SLES	1	-16.3078	21.3606	3.64463	HAL2	4656	0	0	0	0.09	
-4659	C8	SLES	1	-15.8991	19.5556	2.48874	CTL2	4656	4660	4661	4662	-0.18	
-4660	H81	SLES	1	-16.4097	18.9632	1.6952	HAL2	4659	0	0	0	0.09	
-4661	H82	SLES	1	-15.0189	20.0601	2.02892	HAL2	4659	0	0	0	0.09	
-4662	C9	SLES	1	-15.4083	18.595	3.60077	CTL2	4659	4663	4664	4665	-0.18	
-4663	H91	SLES	1	-16.2907	18.1132	4.07994	HAL2	4662	0	0	0	0.09	
-4664	H92	SLES	1	-14.8738	19.1843	4.37951	HAL2	4662	0	0	0	0.09	
-4665	C10	SLES	1	-14.4631	17.4945	3.06335	CTL2	4662	4666	4667	4668	-0.18	
-4666	H10	SLES	1	-15.0052	16.8899	2.30093	HAL2	4665	0	0	0	0.09	
-4667	H10	SLES	1	-13.5914	17.9755	2.56455	HAL2	4665	0	0	0	0.09	
-4668	C11	SLES	1	-13.9492	16.5529	4.18467	CTL2	4665	4669	4670	4671	-0.18	
-4669	H11	SLES	1	-14.8242	16.0691	4.67585	HAL2	4668	0	0	0	0.09	
-4670	H11	SLES	1	-13.4235	17.1642	4.95341	HAL2	4668	0	0	0	0.09	
-4671	C12	SLES	1	-12.9853	15.448	3.68004	CTL3	4668	4672	4673	4674	-0.27	
-4672	H12	SLES	1	-13.3971	14.4408	3.91105	HAL3	4671	0	0	0	0.09	
-4673	H12	SLES	1	-11.9927	15.5465	4.17245	HAL3	4671	0	0	0	0.09	
-4674	H12	SLES	1	-12.8448	15.5296	2.58016	HAL3	4671	0	0	0	0.09	
-4675	NA	SLES	1	-35.7098	24.7255	8.0957	NA	0	0	0	0	1	
-4676	S	SLES	1	-34.234	25.336	4.80941	SL	4677	4678	4679	4680	1.33	
-4677	OS1	SLES	1	-33.5938	24.2956	5.95617	OSL	4676	4681	0	0	-0.28	
-4678	OS2	SLES	1	-35.5791	24.8707	4.54163	O2L	4676	0	0	0	-0.65	
-4679	OS3	SLES	1	-34.2799	26.6425	5.43186	O2L	4676	0	0	0	-0.65	
-4680	OS4	SLES	1	-33.4778	25.405	3.56935	O2L	4676	0	0	0	-0.65	
-4681	C2	SLES	1	-32.475	23.5057	5.3691	CC32A	4677	4682	4683	4684	-0.11	
-4682	H2A	SLES	1	-32.8161	22.96	4.4455	HCA2	4681	0	0	0	0.09	
-4683	H2B	SLES	1	-31.6465	24.2137	5.08887	HCA2	4681	0	0	0	0.09	
-4684	C1	SLES	1	-31.9435	22.4531	6.45323	CC32A	4681	4685	4686	4687	-0.01	
-4685	H1B	SLES	1	-32.7836	21.8072	6.79808	HCA2	4684	0	0	0	0.09	
-4686	H1A	SLES	1	-31.5218	22.9938	7.33238	HCA2	4684	0	0	0	0.09	
-4687	O1	SLES	1	-30.8988	21.4766	6.08861	OC30A	4684	4688	0	0	-0.34	
-4688	C2	SLES	1	-30.1238	21.7713	4.90743	CC32A	4687	4689	4690	4691	-0.01	
-4689	H2A	SLES	1	-30.906	21.7889	4.12331	HCA2	4688	0	0	0	0.09	
-4690	H2B	SLES	1	-29.7835	22.814	5.09801	HCA2	4688	0	0	0	0.09	
-4691	C1	SLES	1	-28.9184	20.9071	4.42021	CC32A	4688	4692	4693	4694	-0.01	
-4692	H1B	SLES	1	-29.2778	20.1246	3.71697	HCA2	4691	0	0	0	0.09	
-4693	H1A	SLES	1	-28.1939	21.5563	3.88896	HCA2	4691	0	0	0	0.09	
-4694	O1	SLES	1	-28.1042	20.0858	5.31758	OC30A	4691	4695	0	0	-0.34	
-4695	C1	SLES	1	-26.7012	19.9091	4.89978	CTL2	4694	4696	4697	4698	-0.18	
-4696	H11	SLES	1	-26.6168	20.2977	3.86876	HAL2	4695	0	0	0	0.09	
-4697	H12	SLES	1	-26.1805	20.6075	5.58703	HAL2	4695	0	0	0	0.09	
-4698	C2	SLES	1	-26.0349	18.479	4.98348	CTL2	4695	4699	4700	4701	-0.18	
-4699	H21	SLES	1	-26.7916	17.7445	5.3395	HAL2	4698	0	0	0	0.09	
-4700	H22	SLES	1	-25.2092	18.508	5.72782	HAL2	4698	0	0	0	0.09	
-4701	C3	SLES	1	-25.4525	17.988	3.56989	CTL2	4698	4702	4703	4704	-0.18	
-4702	H31	SLES	1	-26.1443	17.2313	3.13729	HAL2	4701	0	0	0	0.09	
-4703	H32	SLES	1	-25.415	18.8507	2.87523	HAL2	4701	0	0	0	0.09	
-4704	C4	SLES	1	-24.0038	17.355	3.68249	CTL2	4701	4705	4706	4707	-0.18	
-4705	H41	SLES	1	-24.0903	16.2491	3.6412	HAL2	4704	0	0	0	0.09	
-4706	H42	SLES	1	-23.5619	17.6273	4.66515	HAL2	4704	0	0	0	0.09	
-4707	C5	SLES	1	-23.0268	17.8461	2.52104	CTL2	4704	4708	4709	4710	-0.18	
-4708	H51	SLES	1	-23.634	18.2682	1.68999	HAL2	4707	0	0	0	0.09	
-4709	H52	SLES	1	-22.3746	18.6587	2.91515	HAL2	4707	0	0	0	0.09	
-4710	C6	SLES	1	-22.1189	16.6908	1.95317	CTL2	4707	4711	4712	4713	-0.18	
-4711	H61	SLES	1	-22.7473	16.0002	1.34715	HAL2	4710	0	0	0	0.09	
-4712	H62	SLES	1	-21.3484	17.1337	1.27963	HAL2	4710	0	0	0	0.09	
-4713	C7	SLES	1	-21.4038	15.8753	3.07642	CTL2	4710	4714	4715	4716	-0.18	
-4714	H71	SLES	1	-22.1148	15.1258	3.48926	HAL2	4713	0	0	0	0.09	
-4715	H72	SLES	1	-21.1157	16.5657	3.90024	HAL2	4713	0	0	0	0.09	
-4716	C8	SLES	1	-20.1383	15.1412	2.56729	CTL2	4713	4717	4718	4719	-0.18	
-4717	H81	SLES	1	-20.3765	14.6277	1.60761	HAL2	4716	0	0	0	0.09	
-4718	H82	SLES	1	-19.3387	15.8903	2.36748	HAL2	4716	0	0	0	0.09	
-4719	C9	SLES	1	-19.6112	14.0967	3.58296	CTL2	4716	4720	4721	4722	-0.18	
-4720	H91	SLES	1	-20.4211	13.3651	3.80476	HAL2	4719	0	0	0	0.09	
-4721	H92	SLES	1	-19.3471	14.6149	4.53229	HAL2	4719	0	0	0	0.09	
-4722	C10	SLES	1	-18.3704	13.3329	3.06286	CTL2	4719	4723	4724	4725	-0.18	
-4723	H10	SLES	1	-18.6408	12.7954	2.12548	HAL2	4722	0	0	0	0.09	
-4724	H10	SLES	1	-17.5678	14.0656	2.81992	HAL2	4722	0	0	0	0.09	
-4725	C11	SLES	1	-17.8269	12.3095	4.09492	CTL2	4722	4726	4727	4728	-0.18	
-4726	H11	SLES	1	-18.631	11.575	4.3294	HAL2	4725	0	0	0	0.09	
-4727	H11	SLES	1	-17.5748	12.849	5.03641	HAL2	4725	0	0	0	0.09	
-4728	C12	SLES	1	-16.572	11.5387	3.60938	CTL3	4725	4729	4730	4731	-0.27	
-4729	H12	SLES	1	-16.7721	10.4446	3.59464	HAL3	4728	0	0	0	0.09	
-4730	H12	SLES	1	-15.7125	11.7327	4.28837	HAL3	4728	0	0	0	0.09	
-4731	H12	SLES	1	-16.2925	11.8616	2.58287	HAL3	4728	0	0	0	0.09	
-4732	NA	SLES	1	-40.9802	14.5668	7.77903	NA	0	0	0	0	1	
-4733	S	SLES	1	-39.3769	16.1925	4.92649	SL	4734	4735	4736	4737	1.33	
-4734	OS1	SLES	1	-38.6292	15.0681	5.91849	OSL	4733	4738	0	0	-0.28	
-4735	OS2	SLES	1	-40.5504	15.5408	4.38255	O2L	4733	0	0	0	-0.65	
-4736	OS3	SLES	1	-39.7759	17.2866	5.78697	O2L	4733	0	0	0	-0.65	
-4737	OS4	SLES	1	-38.5422	16.6922	3.84578	O2L	4733	0	0	0	-0.65	
-4738	C2	SLES	1	-37.3103	14.6732	5.34857	CC32A	4734	4739	4740	4741	-0.11	
-4739	H2A	SLES	1	-37.4301	14.2952	4.29503	HCA2	4738	0	0	0	0.09	
-4740	H2B	SLES	1	-36.6409	15.5776	5.33727	HCA2	4738	0	0	0	0.09	
-4741	C1	SLES	1	-36.6594	13.5296	6.26202	CC32A	4738	4742	4743	4744	-0.01	
-4742	H1B	SLES	1	-37.3602	12.6674	6.34685	HCA2	4741	0	0	0	0.09	
-4743	H1A	SLES	1	-36.4561	13.9292	7.2829	HCA2	4741	0	0	0	0.09	
-4744	O1	SLES	1	-35.3911	12.8914	5.85951	OC30A	4741	4745	0	0	-0.34	
-4745	C2	SLES	1	-34.5948	13.5964	4.88406	CC32A	4744	4746	4747	4748	-0.01	
-4746	H2A	SLES	1	-35.2829	13.6352	4.01693	HCA2	4745	0	0	0	0.09	
-4747	H2B	SLES	1	-34.5189	14.6148	5.32745	HCA2	4745	0	0	0	0.09	
-4748	C1	SLES	1	-33.1846	13.1253	4.40817	CC32A	4745	4749	4750	4751	-0.01	
-4749	H1B	SLES	1	-33.2894	12.4678	3.51779	HCA2	4748	0	0	0	0.09	
-4750	H1A	SLES	1	-32.5788	14.0099	4.12699	HCA2	4748	0	0	0	0.09	
-4751	O1	SLES	1	-32.2942	12.3013	5.22737	OC30A	4748	4752	0	0	-0.34	
-4752	C1	SLES	1	-30.8546	12.509	4.98549	CTL2	4751	4753	4754	4755	-0.18	
-4753	H11	SLES	1	-30.7632	13.131	4.07674	HAL2	4752	0	0	0	0.09	
-4754	H12	SLES	1	-30.5727	13.1222	5.86626	HAL2	4752	0	0	0	0.09	
-4755	C2	SLES	1	-29.8928	11.2606	4.87232	CTL2	4752	4756	4757	4758	-0.18	
-4756	H21	SLES	1	-30.4939	10.3281	4.9619	HAL2	4755	0	0	0	0.09	
-4757	H22	SLES	1	-29.1693	11.284	5.71647	HAL2	4755	0	0	0	0.09	
-4758	C3	SLES	1	-29.0835	11.2313	3.48574	CTL2	4755	4759	4760	4761	-0.18	
-4759	H31	SLES	1	-29.5421	10.4702	2.81578	HAL2	4758	0	0	0	0.09	
-4760	H32	SLES	1	-29.1767	12.2191	2.992	HAL2	4758	0	0	0	0.09	
-4761	C4	SLES	1	-27.5464	10.8925	3.67229	CTL2	4758	4762	4763	4764	-0.18	
-4762	H41	SLES	1	-27.3761	9.83082	3.39678	HAL2	4761	0	0	0	0.09	
-4763	H42	SLES	1	-27.2726	11.0167	4.74216	HAL2	4761	0	0	0	0.09	
-4764	C5	SLES	1	-26.6006	11.8207	2.78423	CTL2	4761	4765	4766	4767	-0.18	
-4765	H51	SLES	1	-27.2062	12.2905	1.97803	HAL2	4764	0	0	0	0.09	
-4766	H52	SLES	1	-26.1895	12.6359	3.42257	HAL2	4764	0	0	0	0.09	
-4767	C6	SLES	1	-25.4053	11.0309	2.12926	CTL2	4764	4768	4769	4770	-0.18	
-4768	H61	SLES	1	-25.8009	10.385	1.31355	HAL2	4767	0	0	0	0.09	
-4769	H62	SLES	1	-24.6949	11.7606	1.67505	HAL2	4767	0	0	0	0.09	
-4770	C7	SLES	1	-24.6336	10.1411	3.15449	CTL2	4767	4771	4772	4773	-0.18	
-4771	H71	SLES	1	-25.1924	9.19055	3.30257	HAL2	4770	0	0	0	0.09	
-4772	H72	SLES	1	-24.5885	10.6691	4.13304	HAL2	4770	0	0	0	0.09	
-4773	C8	SLES	1	-23.1925	9.81095	2.69213	CTL2	4770	4774	4775	4776	-0.18	
-4774	H81	SLES	1	-23.2165	9.4925	1.62469	HAL2	4773	0	0	0	0.09	
-4775	H82	SLES	1	-22.568	10.7305	2.76297	HAL2	4773	0	0	0	0.09	
-4776	C9	SLES	1	-22.5412	8.68988	3.54025	CTL2	4773	4777	4778	4779	-0.18	
-4777	H91	SLES	1	-23.1817	7.78004	3.4928	HAL2	4776	0	0	0	0.09	
-4778	H92	SLES	1	-22.4922	9.02036	4.60227	HAL2	4776	0	0	0	0.09	
-4779	C10	SLES	1	-21.1163	8.329	3.05778	CTL2	4776	4780	4781	4782	-0.18	
-4780	H10	SLES	1	-21.1682	7.9761	2.00253	HAL2	4779	0	0	0	0.09	
-4781	H10	SLES	1	-20.4811	9.24325	3.08392	HAL2	4779	0	0	0	0.09	
-4782	C11	SLES	1	-20.4553	7.22759	3.92836	CTL2	4779	4783	4784	4785	-0.18	
-4783	H11	SLES	1	-21.0908	6.31321	3.89343	HAL2	4782	0	0	0	0.09	
-4784	H11	SLES	1	-20.4221	7.57768	4.98537	HAL2	4782	0	0	0	0.09	
-4785	C12	SLES	1	-19.0184	6.85495	3.47996	CTL3	4782	4786	4787	4788	-0.27	
-4786	H12	SLES	1	-18.9635	5.77565	3.21646	HAL3	4785	0	0	0	0.09	
-4787	H12	SLES	1	-18.2933	7.05725	4.29887	HAL3	4785	0	0	0	0.09	
-4788	H12	SLES	1	-18.7235	7.45241	2.58992	HAL3	4785	0	0	0	0.09	
-4789	NA	SLES	1	-43.4308	3.47005	7.33532	NA	0	0	0	0	1	
-4790	S	SLES	1	-42.1272	6.03703	5.08547	SL	4791	4792	4793	4794	1.33	
-4791	OS1	SLES	1	-41.1849	4.88323	5.85243	OSL	4790	4795	0	0	-0.28	
-4792	OS2	SLES	1	-43.1081	5.3107	4.30588	O2L	4790	0	0	0	-0.65	
-4793	OS3	SLES	1	-42.7877	6.78165	6.13712	O2L	4790	0	0	0	-0.65	
-4794	OS4	SLES	1	-41.3861	6.94616	4.22604	O2L	4790	0	0	0	-0.65	
-4795	C2	SLES	1	-39.7923	4.91956	5.3237	CC32A	4791	4796	4797	4798	-0.11	
-4796	H2A	SLES	1	-39.7888	4.79391	4.20506	HCA2	4795	0	0	0	0.09	
-4797	H2B	SLES	1	-39.339	5.91718	5.57967	HCA2	4795	0	0	0	0.09	
-4798	C1	SLES	1	-38.9373	3.74689	6.00169	CC32A	4795	4799	4800	4801	-0.01	
-4799	H1B	SLES	1	-39.4331	2.76486	5.82399	HCA2	4798	0	0	0	0.09	
-4800	H1A	SLES	1	-38.863	3.91814	7.10092	HCA2	4798	0	0	0	0.09	
-4801	O1	SLES	1	-37.5462	3.50138	5.57467	OC30A	4798	4802	0	0	-0.34	
-4802	C2	SLES	1	-36.8916	4.57152	4.86129	CC32A	4801	4803	4804	4805	-0.01	
-4803	H2A	SLES	1	-37.5405	4.67827	3.97002	HCA2	4802	0	0	0	0.09	
-4804	H2B	SLES	1	-37.0578	5.44394	5.53257	HCA2	4802	0	0	0	0.09	
-4805	C1	SLES	1	-35.3964	4.53147	4.41405	CC32A	4802	4806	4807	4808	-0.01	
-4806	H1B	SLES	1	-35.3223	4.10419	3.39033	HCA2	4805	0	0	0	0.09	
-4807	H1A	SLES	1	-34.9914	5.56313	4.39837	HCA2	4805	0	0	0	0.09	
-4808	O1	SLES	1	-34.3752	3.73396	5.09528	OC30A	4805	4809	0	0	-0.34	
-4809	C1	SLES	1	-33.0094	4.28609	5.034	CTL2	4808	4810	4811	4812	-0.18	
-4810	H11	SLES	1	-33.0259	5.11626	4.30481	HAL2	4809	0	0	0	0.09	
-4811	H12	SLES	1	-32.9008	4.71025	6.0536	HAL2	4809	0	0	0	0.09	
-4812	C2	SLES	1	-31.7925	3.32867	4.71993	CTL2	4809	4813	4814	4815	-0.18	
-4813	H21	SLES	1	-32.1756	2.2994	4.53929	HAL2	4812	0	0	0	0.09	
-4814	H22	SLES	1	-31.122	3.29374	5.60636	HAL2	4812	0	0	0	0.09	
-4815	C3	SLES	1	-30.9487	3.80595	3.43981	CTL2	4812	4816	4817	4818	-0.18	
-4816	H31	SLES	1	-31.2043	3.15391	2.57504	HAL2	4815	0	0	0	0.09	
-4817	H32	SLES	1	-31.2404	4.84338	3.18114	HAL2	4815	0	0	0	0.09	
-4818	C4	SLES	1	-29.3823	3.75579	3.67614	CTL2	4815	4819	4820	4821	-0.18	
-4819	H41	SLES	1	-28.9723	2.85197	3.17896	HAL2	4818	0	0	0	0.09	
-4820	H42	SLES	1	-29.1801	3.66868	4.76544	HAL2	4818	0	0	0	0.09	
-4821	C5	SLES	1	-28.6342	5.04686	3.11195	CTL2	4818	4822	4823	4824	-0.18	
-4822	H51	SLES	1	-29.3	5.56423	2.38637	HAL2	4821	0	0	0	0.09	
-4823	H52	SLES	1	-28.4357	5.74813	3.95443	HAL2	4821	0	0	0	0.09	
-4824	C6	SLES	1	-27.272	4.70432	2.39893	CTL2	4821	4825	4826	4827	-0.18	
-4825	H61	SLES	1	-27.4865	4.20993	1.42496	HAL2	4824	0	0	0	0.09	
-4826	H62	SLES	1	-26.7247	5.65291	2.18891	HAL2	4824	0	0	0	0.09	
-4827	C7	SLES	1	-26.3592	3.76971	3.25432	CTL2	4824	4828	4829	4830	-0.18	
-4828	H71	SLES	1	-26.6992	2.71771	3.12988	HAL2	4827	0	0	0	0.09	
-4829	H72	SLES	1	-26.4659	4.04045	4.3284	HAL2	4827	0	0	0	0.09	
-4830	C8	SLES	1	-24.8655	3.86629	2.8554	CTL2	4827	4831	4832	4833	-0.18	
-4831	H81	SLES	1	-24.7813	3.82015	1.74536	HAL2	4830	0	0	0	0.09	
-4832	H82	SLES	1	-24.4622	4.84894	3.19056	HAL2	4830	0	0	0	0.09	
-4833	C9	SLES	1	-24.0129	2.73094	3.4753	CTL2	4830	4834	4835	4836	-0.18	
-4834	H91	SLES	1	-24.4347	1.74847	3.16366	HAL2	4833	0	0	0	0.09	
-4835	H92	SLES	1	-24.0752	2.79495	4.58504	HAL2	4833	0	0	0	0.09	
-4836	C10	SLES	1	-22.5275	2.80003	3.04841	CTL2	4833	4837	4838	4839	-0.18	
-4837	H10	SLES	1	-22.4633	2.71253	1.9398	HAL2	4836	0	0	0	0.09	
-4838	H10	SLES	1	-22.111	3.79079	3.33996	HAL2	4836	0	0	0	0.09	
-4839	C11	SLES	1	-21.6705	1.67981	3.69546	CTL2	4836	4840	4841	4842	-0.18	
-4840	H11	SLES	1	-22.0869	0.691026	3.39534	HAL2	4839	0	0	0	0.09	
-4841	H11	SLES	1	-21.7523	1.7604	4.8035	HAL2	4839	0	0	0	0.09	
-4842	C12	SLES	1	-20.1721	1.73191	3.29991	CTL3	4839	4843	4844	4845	-0.27	
-4843	H12	SLES	1	-19.8711	0.784746	2.80029	HAL3	4842	0	0	0	0.09	
-4844	H12	SLES	1	-19.5385	1.87297	4.20328	HAL3	4842	0	0	0	0.09	
-4845	H12	SLES	1	-19.9853	2.57607	2.60087	HAL3	4842	0	0	0	0.09	
-4846	NA	SLES	1	-42.9585	-7.77907	6.79247	NA	0	0	0	0	1	
-4847	S	SLES	1	-42.2933	-4.52186	5.27636	SL	4848	4849	4850	4851	1.33	
-4848	OS1	SLES	1	-41.1064	-5.60008	5.76212	OSL	4847	4852	0	0	-0.28	
-4849	OS2	SLES	1	-43.1173	-5.22688	4.31644	O2L	4847	0	0	0	-0.65	
-4850	OS3	SLES	1	-43.0689	-4.21628	6.46031	O2L	4847	0	0	0	-0.65	
-4851	OS4	SLES	1	-41.7865	-3.29332	4.68623	O2L	4847	0	0	0	-0.65	
-4852	C2	SLES	1	-39.7682	-5.1391	5.29604	CC32A	4848	4853	4854	4855	-0.11	
-4853	H2A	SLES	1	-39.7681	-4.98299	4.18123	HCA2	4852	0	0	0	0.09	
-4854	H2B	SLES	1	-39.5314	-4.16168	5.80083	HCA2	4852	0	0	0	0.09	
-4855	C1	SLES	1	-38.6649	-6.23199	5.68862	CC32A	4852	4856	4857	4858	-0.01	
-4856	H1B	SLES	1	-38.9445	-7.22292	5.26236	HCA2	4855	0	0	0	0.09	
-4857	H1A	SLES	1	-38.5993	-6.32363	6.79787	HCA2	4855	0	0	0	0.09	
-4858	O1	SLES	1	-37.2654	-6.06281	5.25198	OC30A	4855	4859	0	0	-0.34	
-4859	C2	SLES	1	-36.8735	-4.73625	4.84054	CC32A	4858	4860	4861	4862	-0.01	
-4860	H2A	SLES	1	-37.554	-4.55522	3.98553	HCA2	4859	0	0	0	0.09	
-4861	H2B	SLES	1	-37.2039	-4.11117	5.70047	HCA2	4859	0	0	0	0.09	
-4862	C1	SLES	1	-35.4167	-4.34561	4.43746	CC32A	4859	4863	4864	4865	-0.01	
-4863	H1B	SLES	1	-35.2808	-4.48298	3.34261	HCA2	4862	0	0	0	0.09	
-4864	H1A	SLES	1	-35.2417	-3.2797	4.68604	HCA2	4862	0	0	0	0.09	
-4865	O1	SLES	1	-34.2311	-5.04906	4.9296	OC30A	4862	4866	0	0	-0.34	
-4866	C1	SLES	1	-33.0166	-4.22057	5.04226	CTL2	4865	4867	4868	4869	-0.18	
-4867	H11	SLES	1	-33.2293	-3.26021	4.53864	HAL2	4866	0	0	0	0.09	
-4868	H12	SLES	1	-32.9736	-4.04619	6.13726	HAL2	4866	0	0	0	0.09	
-4869	C2	SLES	1	-31.6324	-4.78951	4.53589	CTL2	4866	4870	4871	4872	-0.18	
-4870	H21	SLES	1	-31.7919	-5.80036	4.09824	HAL2	4869	0	0	0	0.09	
-4871	H22	SLES	1	-30.9463	-4.89682	5.4044	HAL2	4869	0	0	0	0.09	
-4872	C3	SLES	1	-30.9445	-3.84438	3.43497	CTL2	4869	4873	4874	4875	-0.18	
-4873	H31	SLES	1	-31.0783	-4.30356	2.43021	HAL2	4872	0	0	0	0.09	
-4874	H32	SLES	1	-31.4576	-2.86203	3.43075	HAL2	4872	0	0	0	0.09	
-4875	C4	SLES	1	-29.3976	-3.61565	3.69379	CTL2	4872	4876	4877	4878	-0.18	
-4876	H41	SLES	1	-28.8179	-4.26113	3.00143	HAL2	4875	0	0	0	0.09	
-4877	H42	SLES	1	-29.1524	-3.92195	4.73353	HAL2	4875	0	0	0	0.09	
-4878	C5	SLES	1	-28.9576	-2.09679	3.4836	CTL2	4875	4879	4880	4881	-0.18	
-4879	H51	SLES	1	-29.7376	-1.57164	2.88936	HAL2	4878	0	0	0	0.09	
-4880	H52	SLES	1	-28.8906	-1.59776	4.4773	HAL2	4878	0	0	0	0.09	
-4881	C6	SLES	1	-27.5733	-1.95544	2.74524	CTL2	4878	4882	4883	4884	-0.18	
-4882	H61	SLES	1	-27.7035	-2.23001	1.6744	HAL2	4881	0	0	0	0.09	
-4883	H62	SLES	1	-27.2467	-0.890114	2.78894	HAL2	4881	0	0	0	0.09	
-4884	C7	SLES	1	-26.4596	-2.85435	3.36964	CTL2	4881	4885	4886	4887	-0.18	
-4885	H71	SLES	1	-26.5705	-3.89127	2.98203	HAL2	4884	0	0	0	0.09	
-4886	H72	SLES	1	-26.5927	-2.88435	4.47405	HAL2	4884	0	0	0	0.09	
-4887	C8	SLES	1	-25.0321	-2.34665	3.04684	CTL2	4884	4888	4889	4890	-0.18	
-4888	H81	SLES	1	-24.9698	-2.10023	1.96204	HAL2	4887	0	0	0	0.09	
-4889	H82	SLES	1	-24.8388	-1.41345	3.62337	HAL2	4887	0	0	0	0.09	
-4890	C9	SLES	1	-23.9406	-3.3905	3.39221	CTL2	4887	4891	4892	4893	-0.18	
-4891	H91	SLES	1	-24.1514	-4.33325	2.83803	HAL2	4890	0	0	0	0.09	
-4892	H92	SLES	1	-23.9853	-3.61528	4.4817	HAL2	4890	0	0	0	0.09	
-4893	C10	SLES	1	-22.5161	-2.90372	3.03534	CTL2	4890	4894	4895	4896	-0.18	
-4894	H10	SLES	1	-22.4645	-2.70103	1.94125	HAL2	4893	0	0	0	0.09	
-4895	H10	SLES	1	-22.3129	-1.94937	3.57194	HAL2	4893	0	0	0	0.09	
-4896	C11	SLES	1	-21.4229	-3.939	3.41084	CTL2	4893	4897	4898	4899	-0.18	
-4897	H11	SLES	1	-21.6267	-4.88936	2.86643	HAL2	4896	0	0	0	0.09	
-4898	H11	SLES	1	-21.4902	-4.15184	4.50222	HAL2	4896	0	0	0	0.09	
-4899	C12	SLES	1	-19.9812	-3.47318	3.08054	CTL3	4896	4900	4901	4902	-0.27	
-4900	H12	SLES	1	-19.4986	-4.18228	2.37226	HAL3	4899	0	0	0	0.09	
-4901	H12	SLES	1	-19.3683	-3.4261	4.00761	HAL3	4899	0	0	0	0.09	
-4902	H12	SLES	1	-19.9977	-2.46364	2.61503	HAL3	4899	0	0	0	0.09	
-4903	NA	SLES	1	-39.6801	-18.4207	6.18457	NA	0	0	0	0	1	
-4904	S	SLES	1	-39.8341	-14.8374	5.48715	SL	4905	4906	4907	4908	1.33	
-4905	OS1	SLES	1	-38.413	-15.7093	5.65324	OSL	4904	4909	0	0	-0.28	
-4906	OS2	SLES	1	-40.5756	-15.4659	4.41356	O2L	4904	0	0	0	-0.65	
-4907	OS3	SLES	1	-40.5499	-14.9922	6.73623	O2L	4904	0	0	0	-0.65	
-4908	OS4	SLES	1	-39.6443	-13.4251	5.19744	O2L	4904	0	0	0	-0.65	
-4909	C2	SLES	1	-37.2441	-14.8695	5.26734	CC32A	4905	4910	4911	4912	-0.11	
-4910	H2A	SLES	1	-37.3731	-14.4643	4.22506	HCA2	4909	0	0	0	0.09	
-4911	H2B	SLES	1	-37.1705	-14.0075	5.98686	HCA2	4909	0	0	0	0.09	
-4912	C1	SLES	1	-35.9096	-15.7523	5.34246	CC32A	4909	4913	4914	4915	-0.01	
-4913	H1B	SLES	1	-36.0152	-16.6547	4.69724	HCA2	4912	0	0	0	0.09	
-4914	H1A	SLES	1	-35.7303	-16.0806	6.3928	HCA2	4912	0	0	0	0.09	
-4915	O1	SLES	1	-34.6183	-15.1823	4.91171	OC30A	4912	4916	0	0	-0.34	
-4916	C2	SLES	1	-34.5451	-13.7438	4.82311	CC32A	4915	4917	4918	4919	-0.01	
-4917	H2A	SLES	1	-35.32	-13.5251	4.06247	HCA2	4916	0	0	0	0.09	
-4918	H2B	SLES	1	-34.921	-13.4227	5.82062	HCA2	4916	0	0	0	0.09	
-4919	C1	SLES	1	-33.2407	-12.959	4.47695	CC32A	4916	4920	4921	4922	-0.01	
-4920	H1B	SLES	1	-33.1751	-12.8066	3.37762	HCA2	4919	0	0	0	0.09	
-4921	H1A	SLES	1	-33.2678	-11.9676	4.97193	HCA2	4919	0	0	0	0.09	
-4922	O1	SLES	1	-31.8974	-13.4775	4.74075	OC30A	4919	4923	0	0	-0.34	
-4923	C1	SLES	1	-30.8744	-12.4504	5.00974	CTL2	4922	4924	4925	4926	-0.18	
-4924	H11	SLES	1	-31.3232	-11.471	4.76353	HAL2	4923	0	0	0	0.09	
-4925	H12	SLES	1	-30.7731	-12.5283	6.11199	HAL2	4923	0	0	0	0.09	
-4926	C2	SLES	1	-29.4521	-12.5671	4.33176	CTL2	4923	4927	4928	4929	-0.18	
-4927	H21	SLES	1	-29.4375	-13.4593	3.66644	HAL2	4926	0	0	0	0.09	
-4928	H22	SLES	1	-28.6857	-12.7178	5.12329	HAL2	4926	0	0	0	0.09	
-4929	C3	SLES	1	-29.0719	-11.2656	3.47153	CTL2	4926	4930	4931	4932	-0.18	
-4930	H31	SLES	1	-29.1952	-11.4985	2.39038	HAL2	4929	0	0	0	0.09	
-4931	H32	SLES	1	-29.7746	-10.447	3.72516	HAL2	4929	0	0	0	0.09	
-4932	C4	SLES	1	-27.5887	-10.7672	3.72415	CTL2	4929	4933	4934	4935	-0.18	
-4933	H41	SLES	1	-26.9509	-11.0912	2.87535	HAL2	4932	0	0	0	0.09	
-4934	H42	SLES	1	-27.1961	-11.2432	4.64844	HAL2	4932	0	0	0	0.09	
-4935	C5	SLES	1	-27.4907	-9.18221	3.87584	CTL2	4932	4936	4937	4938	-0.18	
-4936	H51	SLES	1	-28.4108	-8.7196	3.4554	HAL2	4935	0	0	0	0.09	
-4937	H52	SLES	1	-27.4417	-8.92382	4.95833	HAL2	4935	0	0	0	0.09	
-4938	C6	SLES	1	-26.2347	-8.57235	3.14643	CTL2	4935	4939	4940	4941	-0.18	
-4939	H61	SLES	1	-26.3983	-8.61421	2.04617	HAL2	4938	0	0	0	0.09	
-4940	H62	SLES	1	-26.1319	-7.5008	3.43742	HAL2	4938	0	0	0	0.09	
-4941	C7	SLES	1	-24.9098	-9.32247	3.4932	CTL2	4938	4942	4943	4944	-0.18	
-4942	H71	SLES	1	-24.8383	-10.2402	2.86832	HAL2	4941	0	0	0	0.09	
-4943	H72	SLES	1	-24.9373	-9.63511	4.56083	HAL2	4941	0	0	0	0.09	
-4944	C8	SLES	1	-23.651	-8.45181	3.25444	CTL2	4941	4945	4946	4947	-0.18	
-4945	H81	SLES	1	-23.7354	-7.95423	2.26111	HAL2	4944	0	0	0	0.09	
-4946	H82	SLES	1	-23.6045	-7.65782	4.0342	HAL2	4944	0	0	0	0.09	
-4947	C9	SLES	1	-22.3422	-9.27978	3.29619	CTL2	4944	4948	4949	4950	-0.18	
-4948	H91	SLES	1	-22.4019	-10.0918	2.53636	HAL2	4947	0	0	0	0.09	
-4949	H92	SLES	1	-22.2447	-9.75405	4.29872	HAL2	4947	0	0	0	0.09	
-4950	C10	SLES	1	-21.085	-8.42174	3.01941	CTL2	4947	4951	4952	4953	-0.18	
-4951	H10	SLES	1	-21.1716	-7.96582	2.00678	HAL2	4950	0	0	0	0.09	
-4952	H10	SLES	1	-21.0367	-7.5963	3.7653	HAL2	4950	0	0	0	0.09	
-4953	C11	SLES	1	-19.7737	-9.24817	3.0924	CTL2	4950	4954	4955	4956	-0.18	
-4954	H11	SLES	1	-19.824	-10.0681	2.33993	HAL2	4953	0	0	0	0.09	
-4955	H11	SLES	1	-19.7005	-9.71656	4.10047	HAL2	4953	0	0	0	0.09	
-4956	C12	SLES	1	-18.4931	-8.41232	2.83564	CTL3	4953	4957	4958	4959	-0.27	
-4957	H12	SLES	1	-17.9384	-8.81437	1.95927	HAL3	4956	0	0	0	0.09	
-4958	H12	SLES	1	-17.8247	-8.44635	3.72416	HAL3	4956	0	0	0	0.09	
-4959	H12	SLES	1	-18.7574	-7.35186	2.63152	HAL3	4956	0	0	0	0.09	
-4960	NA	SLES	1	-33.9036	-27.7818	5.54982	NA	0	0	0	0	1	
-4961	S	SLES	1	-34.8692	-24.2613	5.70461	SL	4962	4963	4964	4965	1.33	
-4962	OS1	SLES	1	-33.2933	-24.804	5.53264	OSL	4961	4966	0	0	-0.28	
-4963	OS2	SLES	1	-35.6143	-24.8113	4.59115	O2L	4961	0	0	0	-0.65	
-4964	OS3	SLES	1	-35.3552	-24.8229	6.94754	O2L	4961	0	0	0	-0.65	
-4965	OS4	SLES	1	-35.009	-22.8141	5.72755	O2L	4961	0	0	0	-0.65	
-4966	C2	SLES	1	-32.383	-23.6614	5.23939	CC32A	4962	4967	4968	4969	-0.11	
-4967	H2A	SLES	1	-32.7368	-23.0941	4.33378	HCA2	4966	0	0	0	0.09	
-4968	H2B	SLES	1	-32.3824	-22.9686	6.12607	HCA2	4966	0	0	0	0.09	
-4969	C1	SLES	1	-30.9018	-24.2157	4.98497	CC32A	4966	4970	4971	4972	-0.01	
-4970	H1B	SLES	1	-30.9149	-24.9693	4.16414	HCA2	4969	0	0	0	0.09	
-4971	H1A	SLES	1	-30.5135	-24.7	5.91115	HCA2	4969	0	0	0	0.09	
-4972	O1	SLES	1	-29.8251	-23.2934	4.57525	OC30A	4969	4973	0	0	-0.34	
-4973	C2	SLES	1	-30.0548	-21.8882	4.8101	CC32A	4972	4974	4975	4976	-0.01	
-4974	H2A	SLES	1	-30.9575	-21.7016	4.19601	HCA2	4973	0	0	0	0.09	
-4975	H2B	SLES	1	-30.3422	-21.8687	5.88545	HCA2	4973	0	0	0	0.09	
-4976	C1	SLES	1	-28.9963	-20.7753	4.53002	CC32A	4973	4977	4978	4979	-0.01	
-4977	H1B	SLES	1	-29.119	-20.3933	3.49317	HCA2	4976	0	0	0	0.09	
-4978	H1A	SLES	1	-29.151	-19.9366	5.23807	HCA2	4976	0	0	0	0.09	
-4979	O1	SLES	1	-27.5529	-21.0186	4.54059	OC30A	4976	4980	0	0	-0.34	
-4980	C1	SLES	1	-26.7287	-19.8626	4.93849	CTL2	4979	4981	4982	4983	-0.18	
-4981	H11	SLES	1	-27.3948	-18.9812	4.96537	HAL2	4980	0	0	0	0.09	
-4982	H12	SLES	1	-26.4588	-20.1364	5.97938	HAL2	4980	0	0	0	0.09	
-4983	C2	SLES	1	-25.4225	-19.5152	4.12038	CTL2	4980	4984	4985	4986	-0.18	
-4984	H21	SLES	1	-25.324	-20.2277	3.27104	HAL2	4983	0	0	0	0.09	
-4985	H22	SLES	1	-24.5372	-19.645	4.78068	HAL2	4983	0	0	0	0.09	
-4986	C3	SLES	1	-25.4364	-18.0152	3.54718	CTL2	4983	4987	4988	4989	-0.18	
-4987	H31	SLES	1	-25.6624	-18.0468	2.45805	HAL2	4986	0	0	0	0.09	
-4988	H32	SLES	1	-26.2456	-17.4454	4.04586	HAL2	4986	0	0	0	0.09	
-4989	C4	SLES	1	-24.0625	-17.2556	3.76529	CTL2	4986	4990	4991	4992	-0.18	
-4990	H41	SLES	1	-23.4996	-17.2486	2.80863	HAL2	4989	0	0	0	0.09	
-4991	H42	SLES	1	-23.4557	-17.807	4.51551	HAL2	4989	0	0	0	0.09	
-4992	C5	SLES	1	-24.2634	-15.7537	4.26402	CTL2	4989	4993	4994	4995	-0.18	
-4993	H51	SLES	1	-25.3076	-15.4362	4.04892	HAL2	4992	0	0	0	0.09	
-4994	H52	SLES	1	-24.1144	-15.7149	5.3673	HAL2	4992	0	0	0	0.09	
-4995	C6	SLES	1	-23.2712	-14.7411	3.57728	CTL2	4992	4996	4997	4998	-0.18	
-4996	H61	SLES	1	-23.5773	-14.5959	2.51694	HAL2	4995	0	0	0	0.09	
-4997	H62	SLES	1	-23.3449	-13.7555	4.09361	HAL2	4995	0	0	0	0.09	
-4998	C7	SLES	1	-21.7875	-15.226	3.61724	CTL2	4995	4999	5000	5001	-0.18	
-4999	H71	SLES	1	-21.6229	-15.9582	2.79589	HAL2	4998	0	0	0	0.09	
-5000	H72	SLES	1	-21.6003	-15.7457	4.58329	HAL2	4998	0	0	0	0.09	
-5001	C8	SLES	1	-20.7753	-14.0633	3.46513	CTL2	4998	5002	5003	5004	-0.18	
-5002	H81	SLES	1	-21.0975	-13.4077	2.62379	HAL2	5001	0	0	0	0.09	
-5003	H82	SLES	1	-20.7788	-13.4536	4.39725	HAL2	5001	0	0	0	0.09	
-5004	C9	SLES	1	-19.3347	-14.5645	3.19328	CTL2	5001	5005	5006	5007	-0.18	
-5005	H91	SLES	1	-19.3376	-15.1984	2.27761	HAL2	5004	0	0	0	0.09	
-5006	H92	SLES	1	-19.0033	-15.1967	4.04762	HAL2	5004	0	0	0	0.09	
-5007	C10	SLES	1	-18.327	-13.4065	3.0016	CTL2	5004	5008	5009	5010	-0.18	
-5008	H10	SLES	1	-18.6456	-12.7872	2.13227	HAL2	5007	0	0	0	0.09	
-5009	H10	SLES	1	-18.3397	-12.7595	3.90788	HAL2	5007	0	0	0	0.09	
-5010	C11	SLES	1	-16.8798	-13.9119	2.76014	CTL2	5007	5011	5012	5013	-0.18	
-5011	H11	SLES	1	-16.8711	-14.5528	1.84891	HAL2	5010	0	0	0	0.09	
-5012	H11	SLES	1	-16.5724	-14.5452	3.62348	HAL2	5010	0	0	0	0.09	
-5013	C12	SLES	1	-15.8421	-12.7738	2.58059	CTL3	5010	5014	5015	5016	-0.27	
-5014	H12	SLES	1	-15.3479	-12.8545	1.58728	HAL3	5013	0	0	0	0.09	
-5015	H12	SLES	1	-15.0615	-12.8343	3.37074	HAL3	5013	0	0	0	0.09	
-5016	H12	SLES	1	-16.3396	-11.7819	2.64929	HAL3	5013	0	0	0	0.09	
-5017	NA	SLES	1	-26.0833	-35.3194	4.92811	NA	0	0	0	0	1	
-5018	S	SLES	1	-27.68	-32.1845	5.91507	SL	5019	5020	5021	5022	1.33	
-5019	OS1	SLES	1	-26.0886	-32.3177	5.40788	OSL	5018	5023	0	0	-0.28	
-5020	OS2	SLES	1	-28.4967	-32.7046	4.83803	O2L	5018	0	0	0	-0.65	
-5021	OS3	SLES	1	-27.8036	-33.0342	7.08097	O2L	5018	0	0	0	-0.65	
-5022	OS4	SLES	1	-28.0965	-30.8306	6.24324	O2L	5018	0	0	0	-0.65	
-5023	C2	SLES	1	-25.4937	-30.9654	5.21396	CC32A	5019	5024	5025	5026	-0.11	
-5024	H2A	SLES	1	-26.1161	-30.3564	4.50056	HCA2	5023	0	0	0	0.09	
-5025	H2B	SLES	1	-25.4641	-30.4421	6.20971	HCA2	5023	0	0	0	0.09	
-5026	C1	SLES	1	-24.0066	-31.1181	4.63862	CC32A	5023	5027	5028	5029	-0.01	
-5027	H1B	SLES	1	-24.0239	-31.7131	3.69655	HCA2	5026	0	0	0	0.09	
-5028	H1A	SLES	1	-23.3636	-31.6428	5.38319	HCA2	5026	0	0	0	0.09	
-5029	O1	SLES	1	-23.2299	-29.9206	4.26374	OC30A	5026	5030	0	0	-0.34	
-5030	C2	SLES	1	-23.685	-28.6615	4.80233	CC32A	5029	5031	5032	5033	-0.01	
-5031	H2A	SLES	1	-24.7055	-28.5904	4.37776	HCA2	5030	0	0	0	0.09	
-5032	H2B	SLES	1	-23.7638	-28.8808	5.89091	HCA2	5030	0	0	0	0.09	
-5033	C1	SLES	1	-22.9393	-27.3059	4.59334	CC32A	5030	5034	5035	5036	-0.01	
-5034	H1B	SLES	1	-23.3272	-26.801	3.682	HCA2	5033	0	0	0	0.09	
-5035	H1A	SLES	1	-23.1214	-26.6495	5.46774	HCA2	5033	0	0	0	0.09	
-5036	O1	SLES	1	-21.5003	-27.2112	4.34169	OC30A	5033	5037	0	0	-0.34	
-5037	C1	SLES	1	-20.8615	-25.9764	4.83298	CTL2	5036	5038	5039	5040	-0.18	
-5038	H11	SLES	1	-21.6717	-25.2868	5.13146	HAL2	5037	0	0	0	0.09	
-5039	H12	SLES	1	-20.3526	-26.3445	5.74776	HAL2	5037	0	0	0	0.09	
-5040	C2	SLES	1	-19.8268	-25.2129	3.91501	CTL2	5037	5041	5042	5043	-0.18	
-5041	H21	SLES	1	-19.7502	-25.7385	2.93687	HAL2	5040	0	0	0	0.09	
-5042	H22	SLES	1	-18.8256	-25.2411	4.39812	HAL2	5040	0	0	0	0.09	
-5043	C3	SLES	1	-20.2444	-23.684	3.65719	CTL2	5040	5044	5045	5046	-0.18	
-5044	H31	SLES	1	-20.6597	-23.5914	2.62897	HAL2	5043	0	0	0	0.09	
-5045	H32	SLES	1	-21.0422	-23.4018	4.37272	HAL2	5043	0	0	0	0.09	
-5046	C4	SLES	1	-19.0319	-22.6754	3.81465	CTL2	5043	5047	5048	5049	-0.18	
-5047	H41	SLES	1	-18.671	-22.3866	2.80547	HAL2	5046	0	0	0	0.09	
-5048	H42	SLES	1	-18.1984	-23.1863	4.3431	HAL2	5046	0	0	0	0.09	
-5049	C5	SLES	1	-19.4289	-21.3591	4.62374	CTL2	5046	5050	5051	5052	-0.18	
-5050	H51	SLES	1	-20.5367	-21.2586	4.63261	HAL2	5049	0	0	0	0.09	
-5051	H52	SLES	1	-19.0864	-21.4646	5.67851	HAL2	5049	0	0	0	0.09	
-5052	C6	SLES	1	-18.8033	-20.0498	4.01073	CTL2	5049	5053	5054	5055	-0.18	
-5053	H61	SLES	1	-19.3252	-19.8104	3.05711	HAL2	5052	0	0	0	0.09	
-5054	H62	SLES	1	-18.9725	-19.203	4.71628	HAL2	5052	0	0	0	0.09	
-5055	C7	SLES	1	-17.2723	-20.1825	3.73396	CTL2	5052	5056	5057	5058	-0.18	
-5056	H71	SLES	1	-17.123	-20.7163	2.76929	HAL2	5055	0	0	0	0.09	
-5057	H72	SLES	1	-16.8084	-20.7936	4.54003	HAL2	5055	0	0	0	0.09	
-5058	C8	SLES	1	-16.557	-18.8102	3.66569	CTL2	5055	5059	5060	5061	-0.18	
-5059	H81	SLES	1	-17.1543	-18.1195	3.02728	HAL2	5058	0	0	0	0.09	
-5060	H82	SLES	1	-16.5063	-18.375	4.68971	HAL2	5058	0	0	0	0.09	
-5061	C9	SLES	1	-15.1228	-18.9185	3.08995	CTL2	5058	5062	5063	5064	-0.18	
-5062	H91	SLES	1	-15.1716	-19.3811	2.07803	HAL2	5061	0	0	0	0.09	
-5063	H92	SLES	1	-14.5186	-19.5867	3.74417	HAL2	5061	0	0	0	0.09	
-5064	C10	SLES	1	-14.4182	-17.5453	2.98305	CTL2	5061	5065	5066	5067	-0.18	
-5065	H10	SLES	1	-15.0102	-16.8842	2.30984	HAL2	5064	0	0	0	0.09	
-5066	H10	SLES	1	-14.3886	-17.0723	3.99073	HAL2	5064	0	0	0	0.09	
-5067	C11	SLES	1	-12.9711	-17.661	2.43493	CTL2	5064	5068	5069	5070	-0.18	
-5068	H11	SLES	1	-13.0066	-18.1283	1.42424	HAL2	5067	0	0	0	0.09	
-5069	H11	SLES	1	-12.3881	-18.3372	3.10124	HAL2	5067	0	0	0	0.09	
-5070	C12	SLES	1	-12.2314	-16.3021	2.33143	CTL3	5067	5071	5072	5073	-0.27	
-5071	H12	SLES	1	-11.9261	-16.1073	1.27966	HAL3	5070	0	0	0	0.09	
-5072	H12	SLES	1	-11.3203	-16.3083	2.96955	HAL3	5070	0	0	0	0.09	
-5073	H12	SLES	1	-12.8935	-15.4744	2.66723	HAL3	5070	0	0	0	0.09	
-5074	NA	SLES	1	-16.7691	-40.6434	4.3585	NA	0	0	0	0	1	
-5075	S	SLES	1	-18.6996	-38.0797	6.10531	SL	5076	5077	5078	5079	1.33	
-5076	OS1	SLES	1	-17.2662	-37.7919	5.28682	OSL	5075	5080	0	0	-0.28	
-5077	OS2	SLES	1	-19.614	-38.6515	5.13871	O2L	5075	0	0	0	-0.65	
-5078	OS3	SLES	1	-18.3901	-39.0568	7.12814	O2L	5075	0	0	0	-0.65	
-5079	OS4	SLES	1	-19.2944	-36.8997	6.71212	O2L	5075	0	0	0	-0.65	
-5080	C2	SLES	1	-17.0108	-36.3269	5.19263	CC32A	5076	5081	5082	5083	-0.11	
-5081	H2A	SLES	1	-17.8842	-35.8014	4.71493	HCA2	5080	0	0	0	0.09	
-5082	H2B	SLES	1	-16.8663	-35.9219	6.23254	HCA2	5080	0	0	0	0.09	
-5083	C1	SLES	1	-15.6881	-36.0743	4.32516	CC32A	5080	5084	5085	5086	-0.01	
-5084	H1B	SLES	1	-15.7945	-36.5516	3.32387	HCA2	5083	0	0	0	0.09	
-5085	H1A	SLES	1	-14.8049	-36.5168	4.84209	HCA2	5083	0	0	0	0.09	
-5086	O1	SLES	1	-15.2683	-34.6981	3.99675	OC30A	5083	5087	0	0	-0.34	
-5087	C2	SLES	1	-15.8344	-33.6415	4.80028	CC32A	5086	5088	5089	5090	-0.01	
-5088	H2A	SLES	1	-16.9168	-33.7584	4.59631	HCA2	5087	0	0	0	0.09	
-5089	H2B	SLES	1	-15.625	-33.99	5.83663	HCA2	5087	0	0	0	0.09	
-5090	C1	SLES	1	-15.439	-32.1375	4.66295	CC32A	5087	5091	5092	5093	-0.01	
-5091	H1B	SLES	1	-16.1117	-31.6379	3.93223	HCA2	5090	0	0	0	0.09	
-5092	H1A	SLES	1	-15.5501	-31.6386	5.64652	HCA2	5090	0	0	0	0.09	
-5093	O1	SLES	1	-14.14	-31.6914	4.15657	OC30A	5090	5094	0	0	-0.34	
-5094	C1	SLES	1	-13.6675	-30.4047	4.69985	CTL2	5093	5095	5096	5097	-0.18	
-5095	H11	SLES	1	-14.5123	-29.9539	5.25137	HAL2	5094	0	0	0	0.09	
-5096	H12	SLES	1	-12.9058	-30.7447	5.43168	HAL2	5094	0	0	0	0.09	
-5097	C2	SLES	1	-13.0351	-29.331	3.72857	CTL2	5094	5098	5099	5100	-0.18	
-5098	H21	SLES	1	-13.0738	-29.7159	2.68494	HAL2	5097	0	0	0	0.09	
-5099	H22	SLES	1	-11.9668	-29.1832	3.99963	HAL2	5097	0	0	0	0.09	
-5100	C3	SLES	1	-13.7955	-27.9182	3.79463	CTL2	5097	5101	5102	5103	-0.18	
-5101	H31	SLES	1	-14.438	-27.8112	2.89241	HAL2	5100	0	0	0	0.09	
-5102	H32	SLES	1	-14.455	-27.9042	4.68518	HAL2	5100	0	0	0	0.09	
-5103	C4	SLES	1	-12.8043	-26.6837	3.86911	CTL2	5100	5104	5105	5106	-0.18	
-5104	H41	SLES	1	-12.7406	-26.2125	2.86606	HAL2	5103	0	0	0	0.09	
-5105	H42	SLES	1	-11.7898	-27.0461	4.14203	HAL2	5103	0	0	0	0.09	
-5106	C5	SLES	1	-13.2665	-25.588	4.93241	CTL2	5103	5107	5108	5109	-0.18	
-5107	H51	SLES	1	-14.3421	-25.7434	5.16982	HAL2	5106	0	0	0	0.09	
-5108	H52	SLES	1	-12.685	-25.7269	5.8724	HAL2	5106	0	0	0	0.09	
-5109	C6	SLES	1	-13.0659	-24.1121	4.41953	CTL2	5106	5110	5111	5112	-0.18	
-5110	H61	SLES	1	-13.823	-23.8954	3.63274	HAL2	5109	0	0	0	0.09	
-5111	H62	SLES	1	-13.24	-23.4078	5.26631	HAL2	5109	0	0	0	0.09	
-5112	C7	SLES	1	-11.6392	-23.8626	3.83604	CTL2	5109	5113	5114	5115	-0.18	
-5113	H71	SLES	1	-11.6038	-24.2403	2.79019	HAL2	5112	0	0	0	0.09	
-5114	H72	SLES	1	-10.8961	-24.4361	4.43376	HAL2	5112	0	0	0	0.09	
-5115	C8	SLES	1	-11.245	-22.3646	3.84351	CTL2	5112	5116	5117	5118	-0.18	
-5116	H81	SLES	1	-12.0942	-21.7625	3.44623	HAL2	5115	0	0	0	0.09	
-5117	H82	SLES	1	-11.0567	-22.0431	4.89318	HAL2	5115	0	0	0	0.09	
-5118	C9	SLES	1	-9.98174	-22.0808	2.99268	CTL2	5115	5119	5120	5121	-0.18	
-5119	H91	SLES	1	-10.1602	-22.4296	1.95017	HAL2	5118	0	0	0	0.09	
-5120	H92	SLES	1	-9.12704	-22.6613	3.40743	HAL2	5118	0	0	0	0.09	
-5121	C10	SLES	1	-9.60647	-20.5802	2.9649	CTL2	5118	5122	5123	5124	-0.18	
-5122	H10	SLES	1	-10.4524	-20.0018	2.52833	HAL2	5121	0	0	0	0.09	
-5123	H10	SLES	1	-9.44949	-20.2253	4.00864	HAL2	5121	0	0	0	0.09	
-5124	C11	SLES	1	-8.32332	-20.3038	2.13722	CTL2	5121	5125	5126	5127	-0.18	
-5125	H11	SLES	1	-8.48781	-20.6543	1.0926	HAL2	5124	0	0	0	0.09	
-5126	H11	SLES	1	-7.4846	-20.8981	2.56654	HAL2	5124	0	0	0	0.09	
-5127	C12	SLES	1	-7.91101	-18.8093	2.1038	CTL3	5124	5128	5129	5130	-0.27	
-5128	H12	SLES	1	-7.89125	-18.4372	1.05572	HAL3	5127	0	0	0	0.09	
-5129	H12	SLES	1	-6.89876	-18.6777	2.5458	HAL3	5127	0	0	0	0.09	
-5130	H12	SLES	1	-8.63365	-18.1953	2.68422	HAL3	5127	0	0	0	0.09	
-5131	NA	SLES	1	-6.557	-43.5208	3.87678	NA	0	0	0	0	1	
-5132	S	SLES	1	-8.49017	-41.5415	6.26337	SL	5133	5134	5135	5136	1.33	
-5133	OS1	SLES	1	-7.38672	-40.9015	5.17705	OSL	5132	5137	0	0	-0.28	
-5134	OS2	SLES	1	-9.47429	-42.2531	5.47429	O2L	5132	0	0	0	-0.65	
-5135	OS3	SLES	1	-7.75016	-42.4754	7.08607	O2L	5132	0	0	0	-0.65	
-5136	OS4	SLES	1	-9.14897	-40.5554	7.10473	O2L	5132	0	0	0	-0.65	
-5137	C2	SLES	1	-7.46632	-39.4135	5.17676	CC32A	5133	5138	5139	5140	-0.11	
-5138	H2A	SLES	1	-8.51755	-39.0721	4.96341	HCA2	5137	0	0	0	0.09	
-5139	H2B	SLES	1	-7.16092	-39.0393	6.1931	HCA2	5137	0	0	0	0.09	
-5140	C1	SLES	1	-6.47252	-38.8299	4.0643	CC32A	5137	5141	5142	5143	-0.01	
-5141	H1B	SLES	1	-6.71777	-39.2681	3.06949	HCA2	5140	0	0	0	0.09	
-5142	H1A	SLES	1	-5.41945	-39.0904	4.32186	HCA2	5140	0	0	0	0.09	
-5143	O1	SLES	1	-6.43457	-37.3802	3.79105	OC30A	5140	5144	0	0	-0.34	
-5144	C2	SLES	1	-6.99341	-36.5176	4.80409	CC32A	5143	5145	5146	5147	-0.01	
-5145	H2A	SLES	1	-8.04562	-36.8619	4.83792	HCA2	5144	0	0	0	0.09	
-5146	H2B	SLES	1	-6.47335	-36.8624	5.72605	HCA2	5144	0	0	0	0.09	
-5147	C1	SLES	1	-6.95854	-34.9583	4.73445	CC32A	5144	5148	5149	5150	-0.01	
-5148	H1B	SLES	1	-7.87517	-34.5848	4.22815	HCA2	5147	0	0	0	0.09	
-5149	H1A	SLES	1	-6.92834	-34.5467	5.76316	HCA2	5147	0	0	0	0.09	
-5150	O1	SLES	1	-5.93951	-34.2098	3.99684	OC30A	5147	5151	0	0	-0.34	
-5151	C1	SLES	1	-5.62284	-32.8792	4.54747	CTL2	5150	5152	5153	5154	-0.18	
-5152	H11	SLES	1	-6.38323	-32.6557	5.31756	HAL2	5151	0	0	0	0.09	
-5153	H12	SLES	1	-4.65415	-33.0776	5.05101	HAL2	5151	0	0	0	0.09	
-5154	C2	SLES	1	-5.47667	-31.6443	3.57277	CTL2	5151	5155	5156	5157	-0.18	
-5155	H21	SLES	1	-5.68672	-31.9753	2.53108	HAL2	5154	0	0	0	0.09	
-5156	H22	SLES	1	-4.42792	-31.2765	3.61025	HAL2	5154	0	0	0	0.09	
-5157	C3	SLES	1	-6.4706	-30.4412	3.95087	CTL2	5154	5158	5159	5160	-0.18	
-5158	H31	SLES	1	-7.31983	-30.4346	3.23181	HAL2	5157	0	0	0	0.09	
-5159	H32	SLES	1	-6.88413	-30.6188	4.96361	HAL2	5157	0	0	0	0.09	
-5160	C4	SLES	1	-5.76434	-29.0224	3.92525	CTL2	5157	5161	5162	5163	-0.18	
-5161	H41	SLES	1	-6.04235	-28.4992	2.9866	HAL2	5160	0	0	0	0.09	
-5162	H42	SLES	1	-4.662	-29.1635	3.92495	HAL2	5160	0	0	0	0.09	
-5163	C5	SLES	1	-6.16984	-28.1117	5.17063	CTL2	5160	5164	5165	5166	-0.18	
-5164	H51	SLES	1	-7.10118	-28.5142	5.62679	HAL2	5163	0	0	0	0.09	
-5165	H52	SLES	1	-5.36293	-28.1649	5.9368	HAL2	5163	0	0	0	0.09	
-5166	C6	SLES	1	-6.40481	-26.6044	4.77802	CTL2	5163	5167	5168	5169	-0.18	
-5167	H61	SLES	1	-7.35719	-26.5223	4.20767	HAL2	5166	0	0	0	0.09	
-5168	H62	SLES	1	-6.50933	-25.9998	5.70913	HAL2	5166	0	0	0	0.09	
-5169	C7	SLES	1	-5.24311	-26.0149	3.91705	CTL2	5166	5170	5171	5172	-0.18	
-5170	H71	SLES	1	-5.38492	-26.3224	2.85728	HAL2	5169	0	0	0	0.09	
-5171	H72	SLES	1	-4.27674	-26.4381	4.27115	HAL2	5169	0	0	0	0.09	
-5172	C8	SLES	1	-5.17324	-24.4691	3.98743	CTL2	5169	5173	5174	5175	-0.18	
-5173	H81	SLES	1	-6.19771	-24.0517	3.85432	HAL2	5172	0	0	0	0.09	
-5174	H82	SLES	1	-4.80679	-24.1669	4.9949	HAL2	5172	0	0	0	0.09	
-5175	C9	SLES	1	-4.23813	-23.8692	2.90758	CTL2	5172	5176	5177	5178	-0.18	
-5176	H91	SLES	1	-4.58792	-24.1962	1.90207	HAL2	5175	0	0	0	0.09	
-5177	H92	SLES	1	-3.20862	-24.2652	3.05856	HAL2	5175	0	0	0	0.09	
-5178	C10	SLES	1	-4.19525	-22.3233	2.94831	CTL2	5175	5179	5180	5181	-0.18	
-5179	H10	SLES	1	-5.22132	-21.9263	2.77401	HAL2	5178	0	0	0	0.09	
-5180	H10	SLES	1	-3.86681	-21.9951	3.96048	HAL2	5178	0	0	0	0.09	
-5181	C11	SLES	1	-3.23421	-21.7273	1.8857	CTL2	5178	5182	5183	5184	-0.18	
-5182	H11	SLES	1	-3.5709	-22.0526	0.874821	HAL2	5181	0	0	0	0.09	
-5183	H11	SLES	1	-2.21352	-22.1409	2.053	HAL2	5181	0	0	0	0.09	
-5184	C12	SLES	1	-3.1563	-20.1788	1.91201	CTL3	5181	5185	5186	5187	-0.27	
-5185	H12	SLES	1	-3.46658	-19.7594	0.929557	HAL3	5184	0	0	0	0.09	
-5186	H12	SLES	1	-2.11616	-19.8477	2.12612	HAL3	5184	0	0	0	0.09	
-5187	H12	SLES	1	-3.82712	-19.7707	2.69918	HAL3	5184	0	0	0	0.09	
-5188	NA	SLES	1	3.95067	-43.8649	3.51322	NA	0	0	0	0	1	
-5189	S	SLES	1	2.29175	-42.321	6.37933	SL	5190	5191	5192	5193	1.33	
-5190	OS1	SLES	1	2.9326	-41.4709	5.08548	OSL	5189	5194	0	0	-0.28	
-5191	OS2	SLES	1	1.31692	-43.2366	5.82368	O2L	5189	0	0	0	-0.65	
-5192	OS3	SLES	1	3.39172	-43.0642	6.95741	O2L	5189	0	0	0	-0.65	
-5193	OS4	SLES	1	1.66744	-41.4901	7.39638	O2L	5189	0	0	0	-0.65	
-5194	C2	SLES	1	2.54278	-40.035	5.16734	CC32A	5190	5195	5196	5197	-0.11	
-5195	H2A	SLES	1	1.42375	-39.9303	5.23039	HCA2	5194	0	0	0	0.09	
-5196	H2B	SLES	1	3.0029	-39.5923	6.09389	HCA2	5194	0	0	0	0.09	
-5197	C1	SLES	1	3.0854	-39.264	3.87241	CC32A	5194	5198	5199	5200	-0.01	
-5198	H1B	SLES	1	2.70098	-39.756	2.94942	HCA2	5197	0	0	0	0.09	
-5199	H1A	SLES	1	4.19995	-39.2887	3.85517	HCA2	5197	0	0	0	0.09	
-5200	O1	SLES	1	2.74759	-37.8432	3.65958	OC30A	5197	5201	0	0	-0.34	
-5201	C2	SLES	1	2.28624	-37.1096	4.81351	CC32A	5200	5202	5203	5204	-0.01	
-5202	H2A	SLES	1	1.3721	-37.6719	5.0874	HCA2	5201	0	0	0	0.09	
-5203	H2B	SLES	1	3.07813	-37.3238	5.56609	HCA2	5201	0	0	0	0.09	
-5204	C1	SLES	1	1.97255	-35.5803	4.80336	CC32A	5201	5205	5206	5207	-0.01	
-5205	H1B	SLES	1	0.901888	-35.4186	4.55116	HCA2	5204	0	0	0	0.09	
-5206	H1A	SLES	1	2.16751	-35.1601	5.81034	HCA2	5204	0	0	0	0.09	
-5207	O1	SLES	1	2.59651	-34.6385	3.87254	OC30A	5204	5208	0	0	-0.34	
-5208	C1	SLES	1	2.75045	-33.2647	4.38539	CTL2	5207	5209	5210	5211	-0.18	
-5209	H11	SLES	1	2.1737	-33.2013	5.32588	HAL2	5208	0	0	0	0.09	
-5210	H12	SLES	1	3.83267	-33.2442	4.62966	HAL2	5208	0	0	0	0.09	
-5211	C2	SLES	1	2.38765	-32.0385	3.45741	CTL2	5208	5212	5213	5214	-0.18	
-5212	H21	SLES	1	2.00231	-32.4188	2.48494	HAL2	5211	0	0	0	0.09	
-5213	H22	SLES	1	3.31111	-31.4532	3.25445	HAL2	5211	0	0	0	0.09	
-5214	C3	SLES	1	1.28638	-31.0732	4.11609	CTL2	5211	5215	5216	5217	-0.18	
-5215	H31	SLES	1	0.304603	-31.2578	3.62584	HAL2	5214	0	0	0	0.09	
-5216	H32	SLES	1	1.18226	-31.3241	5.19053	HAL2	5214	0	0	0	0.09	
-5217	C4	SLES	1	1.64827	-29.5361	3.97955	CTL2	5214	5218	5219	5220	-0.18	
-5218	H41	SLES	1	1.04351	-29.0958	3.15952	HAL2	5217	0	0	0	0.09	
-5219	H42	SLES	1	2.72066	-29.4366	3.70548	HAL2	5217	0	0	0	0.09	
-5220	C5	SLES	1	1.37903	-28.7199	5.32343	CTL2	5217	5221	5222	5223	-0.18	
-5221	H51	SLES	1	0.695517	-29.3081	5.97479	HAL2	5220	0	0	0	0.09	
-5222	H52	SLES	1	2.34222	-28.5894	5.86765	HAL2	5220	0	0	0	0.09	
-5223	C6	SLES	1	0.741505	-27.303	5.06365	CTL2	5220	5224	5225	5226	-0.18	
-5224	H61	SLES	1	-0.317172	-27.4343	4.74577	HAL2	5223	0	0	0	0.09	
-5225	H62	SLES	1	0.744219	-26.7245	6.01693	HAL2	5223	0	0	0	0.09	
-5226	C7	SLES	1	1.50364	-26.4872	3.97191	CTL2	5223	5227	5228	5229	-0.18	
-5227	H71	SLES	1	1.17343	-26.8301	2.96634	HAL2	5226	0	0	0	0.09	
-5228	H72	SLES	1	2.59436	-26.6884	4.06242	HAL2	5226	0	0	0	0.09	
-5229	C8	SLES	1	1.26036	-24.9618	4.08838	CTL2	5226	5230	5231	5232	-0.18	
-5230	H81	SLES	1	0.17037	-24.7763	4.2259	HAL2	5229	0	0	0	0.09	
-5231	H82	SLES	1	1.79128	-24.5764	4.98847	HAL2	5229	0	0	0	0.09	
-5232	C9	SLES	1	1.75207	-24.1872	2.84002	CTL2	5229	5233	5234	5235	-0.18	
-5233	H91	SLES	1	1.24264	-24.5932	1.93673	HAL2	5232	0	0	0	0.09	
-5234	H92	SLES	1	2.84673	-24.3505	2.71949	HAL2	5232	0	0	0	0.09	
-5235	C10	SLES	1	1.47594	-22.6679	2.93432	CTL2	5232	5236	5237	5238	-0.18	
-5236	H10	SLES	1	0.378595	-22.503	3.03144	HAL2	5235	0	0	0	0.09	
-5237	H10	SLES	1	1.96658	-22.2652	3.84928	HAL2	5235	0	0	0	0.09	
-5238	C11	SLES	1	1.99724	-21.8912	1.69619	CTL2	5235	5239	5240	5241	-0.18	
-5239	H11	SLES	1	1.49854	-22.2929	0.784592	HAL2	5238	0	0	0	0.09	
-5240	H11	SLES	1	3.09131	-22.0736	1.59288	HAL2	5238	0	0	0	0.09	
-5241	C12	SLES	1	1.75016	-20.362	1.76811	CTL3	5238	5242	5243	5244	-0.27	
-5242	H12	SLES	1	1.12604	-20.0305	0.909083	HAL3	5241	0	0	0	0.09	
-5243	H12	SLES	1	2.71677	-19.8124	1.73687	HAL3	5241	0	0	0	0.09	
-5244	H12	SLES	1	1.22333	-20.0989	2.71117	HAL3	5241	0	0	0	0.09	
-5245	NA	SLES	1	14.1735	-41.7177	3.29066	NA	0	0	0	0	1	
-5246	S	SLES	1	12.9404	-40.3486	6.44589	SL	5247	5248	5249	5250	1.33	
-5247	OS1	SLES	1	13.056	-39.4798	5.01785	OSL	5246	5251	0	0	-0.28	
-5248	OS2	SLES	1	12.0869	-41.4844	6.16492	O2L	5246	0	0	0	-0.65	
-5249	OS3	SLES	1	14.2809	-40.8035	6.75025	O2L	5246	0	0	0	-0.65	
-5250	OS4	SLES	1	12.4072	-39.5941	7.56877	O2L	5246	0	0	0	-0.65	
-5251	C2	SLES	1	12.3918	-38.1541	5.16496	CC32A	5247	5252	5253	5254	-0.11	
-5252	H2A	SLES	1	11.3243	-38.2797	5.49909	HCA2	5251	0	0	0	0.09	
-5253	H2B	SLES	1	12.949	-37.5597	5.94114	HCA2	5251	0	0	0	0.09	
-5254	C1	SLES	1	12.4315	-37.3829	3.76157	CC32A	5251	5255	5256	5257	-0.01	
-5255	H1B	SLES	1	11.9577	-38.0095	2.97119	HCA2	5254	0	0	0	0.09	
-5256	H1A	SLES	1	13.4882	-37.177	3.47136	HCA2	5254	0	0	0	0.09	
-5257	O1	SLES	1	11.7504	-36.0825	3.61058	OC30A	5254	5258	0	0	-0.34	
-5258	C2	SLES	1	11.425	-35.3791	4.82795	CC32A	5257	5259	5260	5261	-0.01	
-5259	H2A	SLES	1	10.7472	-36.0976	5.32909	HCA2	5258	0	0	0	0.09	
-5260	H2B	SLES	1	12.3991	-35.3693	5.36682	HCA2	5258	0	0	0	0.09	
-5261	C1	SLES	1	10.7907	-33.9531	4.86535	CC32A	5258	5262	5263	5264	-0.01	
-5262	H1B	SLES	1	9.68215	-34.0359	4.88097	HCA2	5261	0	0	0	0.09	
-5263	H1A	SLES	1	11.1207	-33.4298	5.7851	HCA2	5261	0	0	0	0.09	
-5264	O1	SLES	1	10.9558	-32.972	3.79149	OC30A	5261	5265	0	0	-0.34	
-5265	C1	SLES	1	10.9217	-31.5628	4.22382	CTL2	5264	5266	5267	5268	-0.18	
-5266	H11	SLES	1	10.5835	-31.5527	5.2758	HAL2	5265	0	0	0	0.09	
-5267	H12	SLES	1	11.9995	-31.3005	4.19411	HAL2	5265	0	0	0	0.09	
-5268	C2	SLES	1	10.0909	-30.5091	3.38972	CTL2	5265	5269	5270	5271	-0.18	
-5269	H21	SLES	1	9.5801	-31.0304	2.54944	HAL2	5268	0	0	0	0.09	
-5270	H22	SLES	1	10.7893	-29.7611	2.95458	HAL2	5268	0	0	0	0.09	
-5271	C3	SLES	1	8.99215	-29.7484	4.27991	CTL2	5268	5272	5273	5274	-0.18	
-5272	H31	SLES	1	7.98741	-30.1677	4.04975	HAL2	5271	0	0	0	0.09	
-5273	H32	SLES	1	9.2018	-29.937	5.35167	HAL2	5271	0	0	0	0.09	
-5274	C4	SLES	1	8.96605	-28.1836	4.0286	CTL2	5271	5275	5276	5277	-0.18	
-5275	H41	SLES	1	8.10369	-27.9389	3.37394	HAL2	5274	0	0	0	0.09	
-5276	H42	SLES	1	9.89501	-27.8838	3.49743	HAL2	5274	0	0	0	0.09	
-5277	C5	SLES	1	8.84921	-27.346	5.38121	CTL2	5274	5278	5279	5280	-0.18	
-5278	H51	SLES	1	8.4844	-28.0146	6.19197	HAL2	5277	0	0	0	0.09	
-5279	H52	SLES	1	9.86091	-26.9794	5.6693	HAL2	5277	0	0	0	0.09	
-5280	C6	SLES	1	7.87411	-26.115	5.25848	CTL2	5277	5281	5282	5283	-0.18	
-5281	H61	SLES	1	6.82553	-26.4858	5.21323	HAL2	5280	0	0	0	0.09	
-5282	H62	SLES	1	7.97474	-25.4811	6.17035	HAL2	5280	0	0	0	0.09	
-5283	C7	SLES	1	8.15971	-25.2399	3.99717	CTL2	5280	5284	5285	5286	-0.18	
-5284	H71	SLES	1	7.68507	-25.7156	3.11052	HAL2	5283	0	0	0	0.09	
-5285	H72	SLES	1	9.25783	-25.2032	3.8207	HAL2	5283	0	0	0	0.09	
-5286	C8	SLES	1	7.62283	-23.7939	4.14004	CTL2	5283	5287	5288	5289	-0.18	
-5287	H81	SLES	1	6.5826	-23.8293	4.53763	HAL2	5286	0	0	0	0.09	
-5288	H82	SLES	1	8.25331	-23.2425	4.8743	HAL2	5286	0	0	0	0.09	
-5289	C9	SLES	1	7.62446	-23.0264	2.79422	CTL2	5286	5290	5291	5292	-0.18	
-5290	H91	SLES	1	7.01808	-23.5936	2.05199	HAL2	5289	0	0	0	0.09	
-5291	H92	SLES	1	8.66828	-22.9672	2.41152	HAL2	5289	0	0	0	0.09	
-5292	C10	SLES	1	7.05259	-21.5947	2.9238	CTL2	5289	5293	5294	5295	-0.18	
-5293	H10	SLES	1	6.0004	-21.6547	3.28445	HAL2	5292	0	0	0	0.09	
-5294	H10	SLES	1	7.64467	-21.0339	3.68203	HAL2	5292	0	0	0	0.09	
-5295	C11	SLES	1	7.08421	-20.8184	1.58058	CTL2	5292	5296	5297	5298	-0.18	
-5296	H11	SLES	1	6.48508	-21.3798	0.827582	HAL2	5295	0	0	0	0.09	
-5297	H11	SLES	1	8.13569	-20.7767	1.21508	HAL2	5295	0	0	0	0.09	
-5298	C12	SLES	1	6.5324	-19.3727	1.68115	CTL3	5295	5299	5300	5301	-0.27	
-5299	H12	SLES	1	5.66637	-19.241	0.995589	HAL3	5298	0	0	0	0.09	
-5300	H12	SLES	1	7.3199	-18.6382	1.40252	HAL3	5298	0	0	0	0.09	
-5301	H12	SLES	1	6.19831	-19.1572	2.71945	HAL3	5298	0	0	0	0.09	
-5302	NA	SLES	1	23.5697	-37.2312	3.22309	NA	0	0	0	0	1	
-5303	S	SLES	1	22.7521	-35.744	6.45888	SL	5304	5305	5306	5307	1.33	
-5304	OS1	SLES	1	22.3661	-35.0609	4.97843	OSL	5303	5308	0	0	-0.28	
-5305	OS2	SLES	1	22.1368	-37.055	6.47659	O2L	5303	0	0	0	-0.65	
-5306	OS3	SLES	1	24.1939	-35.8767	6.4776	O2L	5303	0	0	0	-0.65	
-5307	OS4	SLES	1	22.3111	-34.9743	7.61106	O2L	5303	0	0	0	-0.65	
-5308	C2	SLES	1	21.4666	-33.8885	5.16977	CC32A	5304	5309	5310	5311	-0.11	
-5309	H2A	SLES	1	20.5496	-34.1824	5.75264	HCA2	5308	0	0	0	0.09	
-5310	H2B	SLES	1	22.0261	-33.0992	5.74443	HCA2	5308	0	0	0	0.09	
-5311	C1	SLES	1	21.0355	-33.3122	3.73872	CC32A	5308	5312	5313	5314	-0.01	
-5312	H1B	SLES	1	20.5595	-34.1178	3.13343	HCA2	5311	0	0	0	0.09	
-5313	H1A	SLES	1	21.9333	-32.9368	3.19454	HCA2	5311	0	0	0	0.09	
-5314	O1	SLES	1	20.0629	-32.206	3.64715	OC30A	5311	5315	0	0	-0.34	
-5315	C2	SLES	1	19.8511	-31.4319	4.84651	CC32A	5314	5316	5317	5318	-0.01	
-5316	H2A	SLES	1	19.4734	-32.2016	5.5478	HCA2	5315	0	0	0	0.09	
-5317	H2B	SLES	1	20.8889	-31.1569	5.14076	HCA2	5315	0	0	0	0.09	
-5318	C1	SLES	1	18.9344	-30.1701	4.91652	CC32A	5315	5319	5320	5321	-0.01	
-5319	H1B	SLES	1	17.9017	-30.4718	5.19685	HCA2	5318	0	0	0	0.09	
-5320	H1A	SLES	1	19.324	-29.4772	5.68901	HCA2	5318	0	0	0	0.09	
-5321	O1	SLES	1	18.6447	-29.3225	3.75878	OC30A	5318	5322	0	0	-0.34	
-5322	C1	SLES	1	18.3859	-27.9053	4.07289	CTL2	5321	5323	5324	5325	-0.18	
-5323	H11	SLES	1	18.2831	-27.8282	5.17047	HAL2	5322	0	0	0	0.09	
-5324	H12	SLES	1	19.3459	-27.4374	3.77173	HAL2	5322	0	0	0	0.09	
-5325	C2	SLES	1	17.1828	-27.1568	3.37396	CTL2	5322	5326	5327	5328	-0.18	
-5326	H21	SLES	1	16.6374	-27.874	2.72051	HAL2	5325	0	0	0	0.09	
-5327	H22	SLES	1	17.5872	-26.3458	2.7295	HAL2	5325	0	0	0	0.09	
-5328	C3	SLES	1	16.1534	-26.5248	4.43204	CTL2	5325	5329	5330	5331	-0.18	
-5329	H31	SLES	1	15.2436	-27.1639	4.4769	HAL2	5328	0	0	0	0.09	
-5330	H32	SLES	1	16.6208	-26.5279	5.43691	HAL2	5328	0	0	0	0.09	
-5331	C4	SLES	1	15.7234	-25.043	4.06931	CTL2	5328	5332	5333	5334	-0.18	
-5332	H41	SLES	1	14.7102	-25.0633	3.61641	HAL2	5331	0	0	0	0.09	
-5333	H42	SLES	1	16.4279	-24.6331	3.31387	HAL2	5331	0	0	0	0.09	
-5334	C5	SLES	1	15.7082	-24.0792	5.34034	CTL2	5331	5335	5336	5337	-0.18	
-5335	H51	SLES	1	15.6822	-24.6975	6.26468	HAL2	5334	0	0	0	0.09	
-5336	H52	SLES	1	16.6487	-23.4824	5.35422	HAL2	5334	0	0	0	0.09	
-5337	C6	SLES	1	14.4775	-23.0959	5.35028	CTL2	5334	5338	5339	5340	-0.18	
-5338	H61	SLES	1	13.5539	-23.673	5.58068	HAL2	5337	0	0	0	0.09	
-5339	H62	SLES	1	14.6223	-22.3428	6.15976	HAL2	5337	0	0	0	0.09	
-5340	C7	SLES	1	14.2868	-22.351	3.99124	CTL2	5337	5341	5342	5343	-0.18	
-5341	H71	SLES	1	13.7559	-23.0226	3.28077	HAL2	5340	0	0	0	0.09	
-5342	H72	SLES	1	15.2861	-22.1169	3.56116	HAL2	5340	0	0	0	0.09	
-5343	C8	SLES	1	13.4805	-21.0366	4.13916	CTL2	5340	5344	5345	5346	-0.18	
-5344	H81	SLES	1	12.5825	-21.2293	4.76992	HAL2	5343	0	0	0	0.09	
-5345	H82	SLES	1	14.1106	-20.2798	4.65955	HAL2	5343	0	0	0	0.09	
-5346	C9	SLES	1	13.0262	-20.4642	2.77307	CTL2	5343	5347	5348	5349	-0.18	
-5347	H91	SLES	1	12.4209	-21.2326	2.24061	HAL2	5346	0	0	0	0.09	
-5348	H92	SLES	1	13.9254	-20.2458	2.154	HAL2	5346	0	0	0	0.09	
-5349	C10	SLES	1	12.187	-19.1725	2.91742	CTL2	5346	5350	5351	5352	-0.18	
-5350	H10	SLES	1	11.2754	-19.3962	3.51715	HAL2	5349	0	0	0	0.09	
-5351	H10	SLES	1	12.7835	-18.4111	3.46924	HAL2	5349	0	0	0	0.09	
-5352	C11	SLES	1	11.7597	-18.5852	1.54615	CTL2	5349	5353	5354	5355	-0.18	
-5353	H11	SLES	1	11.1578	-19.3478	1.00109	HAL2	5352	0	0	0	0.09	
-5354	H11	SLES	1	12.6738	-18.3799	0.943354	HAL2	5352	0	0	0	0.09	
-5355	C12	SLES	1	10.9304	-17.2796	1.65657	CTL3	5352	5356	5357	5358	-0.27	
-5356	H12	SLES	1	9.93264	-17.4143	1.18364	HAL3	5355	0	0	0	0.09	
-5357	H12	SLES	1	11.4556	-16.4436	1.14407	HAL3	5355	0	0	0	0.09	
-5358	H12	SLES	1	10.7824	-17.004	2.72349	HAL3	5355	0	0	0	0.09	
-5359	NA	SLES	1	31.6454	-30.6539	3.31476	NA	0	0	0	0	1	
-5360	S	SLES	1	31.0779	-28.8096	6.41748	SL	5361	5362	5363	5364	1.33	
-5361	OS1	SLES	1	30.2976	-28.4895	4.96967	OSL	5360	5365	0	0	-0.28	
-5362	OS2	SLES	1	30.7907	-30.1922	6.73909	O2L	5360	0	0	0	-0.65	
-5363	OS3	SLES	1	32.493	-28.6486	6.1566	O2L	5360	0	0	0	-0.65	
-5364	OS4	SLES	1	30.6773	-27.951	7.52058	O2L	5360	0	0	0	-0.65	
-5365	C2	SLES	1	29.2007	-27.5035	5.18146	CC32A	5361	5366	5367	5368	-0.11	
-5366	H2A	SLES	1	28.4892	-27.8654	5.9751	HCA2	5365	0	0	0	0.09	
-5367	H2B	SLES	1	29.6552	-26.53	5.51615	HCA2	5365	0	0	0	0.09	
-5368	C1	SLES	1	28.4101	-27.2866	3.80532	CC32A	5365	5369	5370	5371	-0.01	
-5369	H1B	SLES	1	28.0341	-28.2646	3.42596	HCA2	5368	0	0	0	0.09	
-5370	H1A	SLES	1	29.0913	-26.8431	3.04211	HCA2	5368	0	0	0	0.09	
-5371	O1	SLES	1	27.2097	-26.429	3.76698	OC30A	5368	5372	0	0	-0.34	
-5372	C2	SLES	1	27.0358	-25.5125	4.86802	CC32A	5371	5373	5374	5375	-0.01	
-5373	H2A	SLES	1	26.9702	-26.2052	5.72978	HCA2	5372	0	0	0	0.09	
-5374	H2B	SLES	1	28.0181	-24.9896	4.9021	HCA2	5372	0	0	0	0.09	
-5375	C1	SLES	1	25.8812	-24.4652	4.95366	CC32A	5372	5376	5377	5378	-0.01	
-5376	H1B	SLES	1	25.0086	-24.911	5.47896	HCA2	5375	0	0	0	0.09	
-5377	H1A	SLES	1	26.2289	-23.5833	5.52812	HCA2	5375	0	0	0	0.09	
-5378	O1	SLES	1	25.2111	-23.9103	3.77646	OC30A	5375	5379	0	0	-0.34	
-5379	C1	SLES	1	24.6932	-22.5397	3.94211	CTL2	5378	5380	5381	5382	-0.18	
-5380	H11	SLES	1	24.7657	-22.2915	5.01651	HAL2	5379	0	0	0	0.09	
-5381	H12	SLES	1	25.4546	-21.9517	3.38905	HAL2	5379	0	0	0	0.09	
-5382	C2	SLES	1	23.2493	-22.1801	3.41112	CTL2	5379	5383	5384	5385	-0.18	
-5383	H21	SLES	1	22.7783	-23.0952	2.98741	HAL2	5382	0	0	0	0.09	
-5384	H22	SLES	1	23.3409	-21.4321	2.59333	HAL2	5382	0	0	0	0.09	
-5385	C3	SLES	1	22.3003	-21.5875	4.56291	CTL2	5382	5386	5387	5388	-0.18	
-5386	H31	SLES	1	21.5821	-22.376	4.88045	HAL2	5385	0	0	0	0.09	
-5387	H32	SLES	1	22.9214	-21.3201	5.44089	HAL2	5385	0	0	0	0.09	
-5388	C4	SLES	1	21.4874	-20.3083	4.09912	CTL2	5385	5389	5390	5391	-0.18	
-5389	H41	SLES	1	20.4432	-20.6087	3.87167	HAL2	5388	0	0	0	0.09	
-5390	H42	SLES	1	21.9391	-19.9073	3.16632	HAL2	5388	0	0	0	0.09	
-5391	C5	SLES	1	21.4709	-19.1572	5.20339	CTL2	5388	5392	5393	5394	-0.18	
-5392	H51	SLES	1	21.746	-19.5949	6.18834	HAL2	5391	0	0	0	0.09	
-5393	H52	SLES	1	22.2382	-18.3931	4.94219	HAL2	5391	0	0	0	0.09	
-5394	C6	SLES	1	20.0686	-18.4513	5.33326	CTL2	5391	5395	5396	5397	-0.18	
-5395	H61	SLES	1	19.355	-19.1498	5.82502	HAL2	5394	0	0	0	0.09	
-5396	H62	SLES	1	20.1744	-17.5533	5.98583	HAL2	5394	0	0	0	0.09	
-5397	C7	SLES	1	19.4823	-18.0114	3.9545	CTL2	5394	5398	5399	5400	-0.18	
-5398	H71	SLES	1	19.0049	-18.8898	3.46638	HAL2	5397	0	0	0	0.09	
-5399	H72	SLES	1	20.3126	-17.6639	3.30012	HAL2	5397	0	0	0	0.09	
-5400	C8	SLES	1	18.4348	-16.8778	4.08579	CTL2	5397	5401	5402	5403	-0.18	
-5401	H81	SLES	1	17.7266	-17.1298	4.90818	HAL2	5400	0	0	0	0.09	
-5402	H82	SLES	1	18.9551	-15.9313	4.35772	HAL2	5400	0	0	0	0.09	
-5403	C9	SLES	1	17.634	-16.6577	2.7779	CTL2	5400	5404	5405	5406	-0.18	
-5404	H91	SLES	1	17.1381	-17.6127	2.49073	HAL2	5403	0	0	0	0.09	
-5405	H92	SLES	1	18.3395	-16.3786	1.96311	HAL2	5403	0	0	0	0.09	
-5406	C10	SLES	1	16.5596	-15.5532	2.91558	CTL2	5403	5407	5408	5409	-0.18	
-5407	H10	SLES	1	15.8401	-15.8433	3.7149	HAL2	5406	0	0	0	0.09	
-5408	H10	SLES	1	17.052	-14.6033	3.22427	HAL2	5406	0	0	0	0.09	
-5409	C11	SLES	1	15.7804	-15.3142	1.59506	CTL2	5406	5410	5411	5412	-0.18	
-5410	H11	SLES	1	15.2842	-16.2651	1.29421	HAL2	5409	0	0	0	0.09	
-5411	H11	SLES	1	16.5059	-15.0419	0.794768	HAL2	5409	0	0	0	0.09	
-5412	C12	SLES	1	14.7064	-14.2002	1.69594	CTL3	5409	5413	5414	5415	-0.27	
-5413	H12	SLES	1	13.6998	-14.6115	1.46142	HAL3	5412	0	0	0	0.09	
-5414	H12	SLES	1	14.9306	-13.3809	0.977765	HAL3	5412	0	0	0	0.09	
-5415	H12	SLES	1	14.6849	-13.7751	2.72303	HAL3	5412	0	0	0	0.09	
-5416	NA	SLES	1	37.9614	-22.3235	3.5599	NA	0	0	0	0	1	
-5417	S	SLES	1	37.3724	-20.008	6.32428	SL	5418	5419	5420	5421	1.33	
-5418	OS1	SLES	1	36.3686	-20.1668	4.99214	OSL	5417	5422	0	0	-0.28	
-5419	OS2	SLES	1	37.4496	-21.3185	6.93593	O2L	5417	0	0	0	-0.65	
-5420	OS3	SLES	1	38.6707	-19.6288	5.80741	O2L	5417	0	0	0	-0.65	
-5421	OS4	SLES	1	36.9247	-19.0302	7.30303	O2L	5417	0	0	0	-0.65	
-5422	C2	SLES	1	35.1102	-19.3962	5.19931	CC32A	5418	5423	5424	5425	-0.11	
-5423	H2A	SLES	1	34.6025	-19.7138	6.15249	HCA2	5422	0	0	0	0.09	
-5424	H2B	SLES	1	35.3682	-18.3033	5.27061	HCA2	5422	0	0	0	0.09	
-5425	C1	SLES	1	34.1287	-19.6404	3.95717	CC32A	5422	5426	5427	5428	-0.01	
-5426	H1B	SLES	1	33.942	-20.7317	3.83038	HCA2	5425	0	0	0	0.09	
-5427	H1A	SLES	1	34.5922	-19.2444	3.02363	HCA2	5425	0	0	0	0.09	
-5428	O1	SLES	1	32.769	-19.0668	3.96255	OC30A	5425	5429	0	0	-0.34	
-5429	C2	SLES	1	32.5268	-17.989	4.89113	CC32A	5428	5430	5431	5432	-0.01	
-5430	H2A	SLES	1	32.7268	-18.4801	5.86359	HCA2	5429	0	0	0	0.09	
-5431	H2B	SLES	1	33.3606	-17.2866	4.66585	HCA2	5429	0	0	0	0.09	
-5432	C1	SLES	1	31.1832	-17.1984	4.97444	CC32A	5429	5433	5434	5435	-0.01	
-5433	H1B	SLES	1	30.5062	-17.6855	5.70957	HCA2	5432	0	0	0	0.09	
-5434	H1A	SLES	1	31.3883	-16.1629	5.31254	HCA2	5432	0	0	0	0.09	
-5435	O1	SLES	1	30.2654	-17.0528	3.84342	OC30A	5432	5436	0	0	-0.34	
-5436	C1	SLES	1	29.473	-15.8093	3.83967	CTL2	5435	5437	5438	5439	-0.18	
-5437	H11	SLES	1	29.6178	-15.3276	4.82359	HAL2	5436	0	0	0	0.09	
-5438	H12	SLES	1	30.0067	-15.2141	3.07012	HAL2	5436	0	0	0	0.09	
-5439	C2	SLES	1	27.9313	-15.8658	3.49887	CTL2	5436	5440	5441	5442	-0.18	
-5440	H21	SLES	1	27.6331	-16.9253	3.33338	HAL2	5439	0	0	0	0.09	
-5441	H22	SLES	1	27.7492	-15.3074	2.55464	HAL2	5439	0	0	0	0.09	
-5442	C3	SLES	1	27.0204	-15.2409	4.66432	CTL2	5439	5443	5444	5445	-0.18	
-5443	H31	SLES	1	26.5452	-16.0697	5.23504	HAL2	5442	0	0	0	0.09	
-5444	H32	SLES	1	27.6668	-14.6738	5.36336	HAL2	5442	0	0	0	0.09	
-5445	C4	SLES	1	25.8868	-14.2782	4.11616	CTL2	5442	5446	5447	5448	-0.18	
-5446	H41	SLES	1	24.9189	-14.8216	4.1237	HAL2	5445	0	0	0	0.09	
-5447	H42	SLES	1	26.1176	-14.0047	3.06406	HAL2	5445	0	0	0	0.09	
-5448	C5	SLES	1	25.7436	-12.9441	4.97896	CTL2	5445	5449	5450	5451	-0.18	
-5449	H51	SLES	1	26.2296	-13.0973	5.96777	HAL2	5448	0	0	0	0.09	
-5450	H52	SLES	1	26.2786	-12.1168	4.45912	HAL2	5448	0	0	0	0.09	
-5451	C6	SLES	1	24.2441	-12.5197	5.20851	CTL2	5448	5452	5453	5454	-0.18	
-5452	H61	SLES	1	23.7741	-13.2242	5.93092	HAL2	5451	0	0	0	0.09	
-5453	H62	SLES	1	24.2213	-11.5001	5.65949	HAL2	5451	0	0	0	0.09	
-5454	C7	SLES	1	23.4087	-12.5106	3.88925	CTL2	5451	5455	5456	5457	-0.18	
-5455	H71	SLES	1	23.0881	-13.55	3.65569	HAL2	5454	0	0	0	0.09	
-5456	H72	SLES	1	24.0515	-12.1535	3.05398	HAL2	5454	0	0	0	0.09	
-5457	C8	SLES	1	22.1545	-11.6063	3.98329	CTL2	5454	5458	5459	5460	-0.18	
-5458	H81	SLES	1	21.6285	-11.8119	4.94371	HAL2	5457	0	0	0	0.09	
-5459	H82	SLES	1	22.4746	-10.5395	3.98778	HAL2	5457	0	0	0	0.09	
-5460	C9	SLES	1	21.1708	-11.8349	2.8084	CTL2	5457	5461	5462	5463	-0.18	
-5461	H91	SLES	1	20.8743	-12.9082	2.78663	HAL2	5460	0	0	0	0.09	
-5462	H92	SLES	1	21.6889	-11.6023	1.85084	HAL2	5460	0	0	0	0.09	
-5463	C10	SLES	1	19.898	-10.9624	2.91839	CTL2	5460	5464	5465	5466	-0.18	
-5464	H10	SLES	1	19.3669	-11.2116	3.86529	HAL2	5463	0	0	0	0.09	
-5465	H10	SLES	1	20.1949	-9.89003	2.96252	HAL2	5463	0	0	0	0.09	
-5466	C11	SLES	1	18.9293	-11.1713	1.72423	CTL2	5463	5467	5468	5469	-0.18	
-5467	H11	SLES	1	18.6299	-12.2438	1.68853	HAL2	5466	0	0	0	0.09	
-5468	H11	SLES	1	19.4701	-10.9382	0.778659	HAL2	5466	0	0	0	0.09	
-5469	C12	SLES	1	17.6503	-10.2976	1.79678	CTL3	5466	5470	5471	5472	-0.27	
-5470	H12	SLES	1	16.743	-10.941	1.81147	HAL3	5469	0	0	0	0.09	
-5471	H12	SLES	1	17.5923	-9.62323	0.914053	HAL3	5469	0	0	0	0.09	
-5472	H12	SLES	1	17.6583	-9.67533	2.71811	HAL3	5469	0	0	0	0.09	
-5473	NA	SLES	1	42.1444	-12.6641	3.94311	NA	0	0	0	0	1	
-5474	S	SLES	1	41.2337	-9.92657	6.18516	SL	5475	5476	5477	5478	1.33	
-5475	OS1	SLES	1	40.2062	-10.5977	5.04442	OSL	5474	5479	0	0	-0.28	
-5476	OS2	SLES	1	41.642	-11.0104	7.05474	O2L	5474	0	0	0	-0.65	
-5477	OS3	SLES	1	42.3776	-9.42609	5.45198	O2L	5474	0	0	0	-0.65	
-5478	OS4	SLES	1	40.6434	-8.85574	6.97208	O2L	5474	0	0	0	-0.65	
-5479	C2	SLES	1	38.8235	-10.0715	5.22219	CC32A	5475	5480	5481	5482	-0.11	
-5480	H2A	SLES	1	38.4631	-10.2494	6.27367	HCA2	5479	0	0	0	0.09	
-5481	H2B	SLES	1	38.8344	-8.96401	5.02327	HCA2	5479	0	0	0	0.09	
-5482	C1	SLES	1	37.8427	-10.7978	4.18474	CC32A	5479	5483	5484	5485	-0.01	
-5483	H1B	SLES	1	37.8971	-11.9024	4.32129	HCA2	5482	0	0	0	0.09	
-5484	H1A	SLES	1	38.1438	-10.5497	3.14028	HCA2	5482	0	0	0	0.09	
-5485	O1	SLES	1	36.3924	-10.5273	4.22156	OC30A	5482	5486	0	0	-0.34	
-5486	C2	SLES	1	35.9762	-9.33173	4.91438	CC32A	5485	5487	5488	5489	-0.01	
-5487	H2A	SLES	1	36.3441	-9.52644	5.94085	HCA2	5486	0	0	0	0.09	
-5488	H2B	SLES	1	36.6151	-8.54905	4.44684	HCA2	5486	0	0	0	0.09	
-5489	C1	SLES	1	34.4981	-8.83321	4.97755	CC32A	5486	5490	5491	5492	-0.01	
-5490	H1B	SLES	1	33.9968	-9.25839	5.87419	HCA2	5489	0	0	0	0.09	
-5491	H1A	SLES	1	34.4879	-7.7276	5.05581	HCA2	5489	0	0	0	0.09	
-5492	O1	SLES	1	33.4992	-9.14989	3.95545	OC30A	5489	5493	0	0	-0.34	
-5493	C1	SLES	1	32.4501	-8.13023	3.77202	CTL2	5492	5494	5495	5496	-0.18	
-5494	H11	SLES	1	32.5473	-7.40925	4.60384	HAL2	5493	0	0	0	0.09	
-5495	H12	SLES	1	32.7856	-7.63968	2.83499	HAL2	5493	0	0	0	0.09	
-5496	C2	SLES	1	30.9412	-8.57743	3.6317	CTL2	5493	5497	5498	5499	-0.18	
-5497	H21	SLES	1	30.8776	-9.68366	3.73666	HAL2	5496	0	0	0	0.09	
-5498	H22	SLES	1	30.5775	-8.30843	2.61585	HAL2	5496	0	0	0	0.09	
-5499	C3	SLES	1	29.9916	-7.89136	4.72987	CTL2	5496	5500	5501	5502	-0.18	
-5500	H31	SLES	1	29.7523	-8.63918	5.5184	HAL2	5499	0	0	0	0.09	
-5501	H32	SLES	1	30.5389	-7.05535	5.20919	HAL2	5499	0	0	0	0.09	
-5502	C4	SLES	1	28.638	-7.33702	4.11937	CTL2	5499	5503	5504	5505	-0.18	
-5503	H41	SLES	1	27.8189	-8.04755	4.35665	HAL2	5502	0	0	0	0.09	
-5504	H42	SLES	1	28.7326	-7.28055	3.01352	HAL2	5502	0	0	0	0.09	
-5505	C5	SLES	1	28.2564	-5.89357	4.68116	CTL2	5502	5506	5507	5508	-0.18	
-5506	H51	SLES	1	28.8279	-5.70535	5.61681	HAL2	5505	0	0	0	0.09	
-5507	H52	SLES	1	28.5576	-5.12286	3.93535	HAL2	5505	0	0	0	0.09	
-5508	C6	SLES	1	26.7182	-5.73977	4.98386	CTL2	5505	5509	5510	5511	-0.18	
-5509	H61	SLES	1	26.466	-6.33247	5.8917	HAL2	5508	0	0	0	0.09	
-5510	H62	SLES	1	26.4973	-4.6686	5.20123	HAL2	5508	0	0	0	0.09	
-5511	C7	SLES	1	25.8178	-6.21416	3.79959	CTL2	5508	5512	5513	5514	-0.18	
-5512	H71	SLES	1	25.7234	-7.32207	3.83681	HAL2	5511	0	0	0	0.09	
-5513	H72	SLES	1	26.3083	-5.94325	2.8382	HAL2	5511	0	0	0	0.09	
-5514	C8	SLES	1	24.4019	-5.58706	3.83809	CTL2	5511	5515	5516	5517	-0.18	
-5515	H81	SLES	1	23.999	-5.6606	4.87429	HAL2	5514	0	0	0	0.09	
-5516	H82	SLES	1	24.4746	-4.50769	3.57296	HAL2	5514	0	0	0	0.09	
-5517	C9	SLES	1	23.4197	-6.28296	2.86266	CTL2	5514	5518	5519	5520	-0.18	
-5518	H91	SLES	1	23.3702	-7.36779	3.10973	HAL2	5517	0	0	0	0.09	
-5519	H92	SLES	1	23.809	-6.18468	1.82426	HAL2	5517	0	0	0	0.09	
-5520	C10	SLES	1	21.9939	-5.68599	2.92567	CTL2	5517	5521	5522	5523	-0.18	
-5521	H10	SLES	1	21.595	-5.80523	3.95887	HAL2	5520	0	0	0	0.09	
-5522	H10	SLES	1	22.0454	-4.59666	2.70044	HAL2	5520	0	0	0	0.09	
-5523	C11	SLES	1	21.0207	-6.36476	1.92555	CTL2	5520	5524	5525	5526	-0.18	
-5524	H11	SLES	1	20.9674	-7.45272	2.15927	HAL2	5523	0	0	0	0.09	
-5525	H11	SLES	1	21.4328	-6.25855	0.896039	HAL2	5523	0	0	0	0.09	
-5526	C12	SLES	1	19.5861	-5.77685	1.95275	CTL3	5523	5527	5528	5529	-0.27	
-5527	H12	SLES	1	18.8489	-6.56848	2.2118	HAL3	5526	0	0	0	0.09	
-5528	H12	SLES	1	19.3211	-5.35792	0.956935	HAL3	5526	0	0	0	0.09	
-5529	H12	SLES	1	19.5147	-4.96503	2.70904	HAL3	5526	0	0	0	0.09	
-5530	NA	SLES	1	43.5576	-2.18434	-7.07428	NA	0	0	0	0	1	
-5531	S	SLES	1	42.5396	0.768073	-5.17764	SL	5532	5533	5534	5535	1.33	
-5532	OS1	SLES	1	41.4778	-0.363386	-5.80998	OSL	5531	5536	0	0	-0.28	
-5533	OS2	SLES	1	43.4346	0.0424865	-4.30017	O2L	5531	0	0	0	-0.65	
-5534	OS3	SLES	1	43.2783	1.30044	-6.30341	O2L	5531	0	0	0	-0.65	
-5535	OS4	SLES	1	41.9011	1.85171	-4.44786	O2L	5531	0	0	0	-0.65	
-5536	C2	SLES	1	40.0969	-0.111291	-5.31011	CC32A	5532	5537	5538	5539	-0.11	
-5537	H2A	SLES	1	40.0786	-0.0958529	-4.18468	HCA2	5536	0	0	0	0.09	
-5538	H2B	SLES	1	39.7554	0.889903	-5.69381	HCA2	5536	0	0	0	0.09	
-5539	C1	SLES	1	39.1198	-1.25975	-5.85058	CC32A	5536	5540	5541	5542	-0.01	
-5540	H1B	SLES	1	39.5053	-2.2599	-5.54585	HCA2	5539	0	0	0	0.09	
-5541	H1A	SLES	1	39.0657	-1.2194	-6.96351	HCA2	5539	0	0	0	0.09	
-5542	O1	SLES	1	37.7097	-1.29844	-5.41683	OC30A	5539	5543	0	0	-0.34	
-5543	C2	SLES	1	37.1751	-0.0835074	-4.85058	CC32A	5542	5544	5545	5546	-0.01	
-5544	H2A	SLES	1	37.8308	0.0623772	-3.96994	HCA2	5543	0	0	0	0.09	
-5545	H2B	SLES	1	37.4361	0.675615	-5.62189	HCA2	5543	0	0	0	0.09	
-5546	C1	SLES	1	35.6839	0.0942148	-4.42363	CC32A	5543	5547	5548	5549	-0.01	
-5547	H1B	SLES	1	35.5627	-0.192016	-3.35619	HCA2	5546	0	0	0	0.09	
-5548	H1A	SLES	1	35.3939	1.15752	-4.54128	HCA2	5546	0	0	0	0.09	
-5549	O1	SLES	1	34.5826	-0.666656	-5.01603	OC30A	5546	5550	0	0	-0.34	
-5550	C1	SLES	1	33.2851	0.0332149	-5.04326	CTL2	5549	5551	5552	5553	-0.18	
-5551	H11	SLES	1	33.3913	0.940877	-4.42192	HAL2	5550	0	0	0	0.09	
-5552	H12	SLES	1	33.2245	0.336632	-6.10887	HAL2	5550	0	0	0	0.09	
-5553	C2	SLES	1	31.9707	-0.740536	-4.63118	CTL2	5550	5554	5555	5556	-0.18	
-5554	H21	SLES	1	32.2391	-1.77472	-4.31934	HAL2	5553	0	0	0	0.09	
-5555	H22	SLES	1	31.3013	-0.812638	-5.51619	HAL2	5553	0	0	0	0.09	
-5556	C3	SLES	1	31.1827	-0.0194775	-3.43217	CTL2	5553	5557	5558	5559	-0.18	
-5557	H31	SLES	1	31.3648	-0.582784	-2.48992	HAL2	5556	0	0	0	0.09	
-5558	H32	SLES	1	31.5855	1.00439	-3.29928	HAL2	5556	0	0	0	0.09	
-5559	C4	SLES	1	29.6204	0.0710401	-3.68329	CTL2	5556	5560	5561	5562	-0.18	
-5560	H41	SLES	1	29.1138	-0.714336	-3.0844	HAL2	5559	0	0	0	0.09	
-5561	H42	SLES	1	29.411	-0.128388	-4.75634	HAL2	5559	0	0	0	0.09	
-5562	C5	SLES	1	29.017	1.49546	-3.2937	CTL2	5559	5563	5564	5565	-0.18	
-5563	H51	SLES	1	29.7346	2.02394	-2.62789	HAL2	5562	0	0	0	0.09	
-5564	H52	SLES	1	28.8971	2.10392	-4.21908	HAL2	5562	0	0	0	0.09	
-5565	C6	SLES	1	27.6248	1.39347	-2.56377	CTL2	5562	5566	5567	5568	-0.18	
-5566	H61	SLES	1	27.7832	1.00367	-1.53321	HAL2	5565	0	0	0	0.09	
-5567	H62	SLES	1	27.1841	2.41437	-2.48041	HAL2	5565	0	0	0	0.09	
-5568	C7	SLES	1	26.6164	0.464015	-3.31048	CTL2	5565	5569	5570	5571	-0.18	
-5569	H71	SLES	1	26.8395	-0.594905	-3.05223	HAL2	5568	0	0	0	0.09	
-5570	H72	SLES	1	26.7532	0.586053	-4.40809	HAL2	5568	0	0	0	0.09	
-5571	C8	SLES	1	25.1418	0.770338	-2.94832	CTL2	5568	5572	5573	5574	-0.18	
-5572	H81	SLES	1	25.0519	0.871867	-1.84242	HAL2	5571	0	0	0	0.09	
-5573	H82	SLES	1	24.8484	1.74153	-3.40802	HAL2	5571	0	0	0	0.09	
-5574	C9	SLES	1	24.171	-0.334343	-3.43572	CTL2	5571	5575	5576	5577	-0.18	
-5575	H91	SLES	1	24.4829	-1.31029	-2.99911	HAL2	5574	0	0	0	0.09	
-5576	H92	SLES	1	24.2411	-0.415843	-4.54385	HAL2	5574	0	0	0	0.09	
-5577	C10	SLES	1	22.7016	-0.0525604	-3.04229	CTL2	5574	5578	5579	5580	-0.18	
-5578	H10	SLES	1	22.6271	0.00582877	-1.93242	HAL2	5577	0	0	0	0.09	
-5579	H10	SLES	1	22.396	0.933459	-3.45991	HAL2	5577	0	0	0	0.09	
-5580	C11	SLES	1	21.7282	-1.14523	-3.55856	CTL2	5577	5581	5582	5583	-0.18	
-5581	H11	SLES	1	22.0339	-2.12824	-3.13268	HAL2	5580	0	0	0	0.09	
-5582	H11	SLES	1	21.8194	-1.21228	-4.66677	HAL2	5580	0	0	0	0.09	
-5583	C12	SLES	1	20.244	-0.88269	-3.19432	CTL3	5580	5584	5585	5586	-0.27	
-5584	H12	SLES	1	19.8409	-1.72229	-2.58607	HAL3	5583	0	0	0	0.09	
-5585	H12	SLES	1	19.6305	-0.787318	-4.11733	HAL3	5583	0	0	0	0.09	
-5586	H12	SLES	1	20.1497	0.0569904	-2.6076	HAL3	5583	0	0	0	0.09	
-5587	NA	SLES	1	42.8714	8.48211	-6.49433	NA	0	0	0	0	1	
-5588	S	SLES	1	40.9664	11.3941	-5.38007	SL	5589	5590	5591	5592	1.33	
-5589	OS1	SLES	1	40.2965	9.89406	-5.7096	OSL	5588	5593	0	0	-0.28	
-5590	OS2	SLES	1	41.9659	11.1785	-4.35444	O2L	5588	0	0	0	-0.65	
-5591	OS3	SLES	1	41.6041	11.8284	-6.60535	O2L	5588	0	0	0	-0.65	
-5592	OS4	SLES	1	40.0108	12.3967	-4.93742	O2L	5588	0	0	0	-0.65	
-5593	C2	SLES	1	38.8695	9.86075	-5.28171	CC32A	5589	5594	5595	5596	-0.11	
-5594	H2A	SLES	1	38.7743	10.1376	-4.19476	HCA2	5593	0	0	0	0.09	
-5595	H2B	SLES	1	38.2941	10.6051	-5.89902	HCA2	5593	0	0	0	0.09	
-5596	C1	SLES	1	38.2795	8.39047	-5.51835	CC32A	5593	5597	5598	5599	-0.01	
-5597	H1B	SLES	1	38.9021	7.64067	-4.97799	HCA2	5596	0	0	0	0.09	
-5598	H1A	SLES	1	38.2893	8.14821	-6.60663	HCA2	5596	0	0	0	0.09	
-5599	O1	SLES	1	36.9081	8.06282	-5.08272	OC30A	5596	5600	0	0	-0.34	
-5600	C2	SLES	1	36.027	9.17776	-4.83133	CC32A	5599	5601	5602	5603	-0.01	
-5601	H2A	SLES	1	36.5594	9.70649	-4.01653	HCA2	5600	0	0	0	0.09	
-5602	H2B	SLES	1	36.1213	9.77349	-5.76706	HCA2	5600	0	0	0	0.09	
-5603	C1	SLES	1	34.5193	9.02708	-4.45533	CC32A	5600	5604	5605	5606	-0.01	
-5604	H1B	SLES	1	34.4112	8.98076	-3.34979	HCA2	5603	0	0	0	0.09	
-5605	H1A	SLES	1	33.959	9.90685	-4.83034	HCA2	5603	0	0	0	0.09	
-5606	O1	SLES	1	33.7079	7.87016	-4.83736	OC30A	5603	5607	0	0	-0.34	
-5607	C1	SLES	1	32.2735	8.15133	-5.03103	CTL2	5606	5608	5609	5610	-0.18	
-5608	H11	SLES	1	32.0877	9.17301	-4.65311	HAL2	5607	0	0	0	0.09	
-5609	H12	SLES	1	32.2022	8.16315	-6.1383	HAL2	5607	0	0	0	0.09	
-5610	C2	SLES	1	31.1955	7.16164	-4.43555	CTL2	5607	5611	5612	5613	-0.18	
-5611	H21	SLES	1	31.7144	6.34907	-3.87945	HAL2	5610	0	0	0	0.09	
-5612	H22	SLES	1	30.6302	6.69668	-5.27274	HAL2	5610	0	0	0	0.09	
-5613	C3	SLES	1	30.1644	7.89678	-3.44816	CTL2	5610	5614	5615	5616	-0.18	
-5614	H31	SLES	1	30.4311	7.6479	-2.39685	HAL2	5613	0	0	0	0.09	
-5615	H32	SLES	1	30.2637	8.99345	-3.57346	HAL2	5613	0	0	0	0.09	
-5616	C4	SLES	1	28.6563	7.4838	-3.70748	CTL2	5613	5617	5618	5619	-0.18	
-5617	H41	SLES	1	28.3448	6.75391	-2.93138	HAL2	5616	0	0	0	0.09	
-5618	H42	SLES	1	28.5797	6.98453	-4.69738	HAL2	5616	0	0	0	0.09	
-5619	C5	SLES	1	27.6638	8.73233	-3.67868	CTL2	5616	5620	5621	5622	-0.18	
-5620	H51	SLES	1	28.1653	9.5831	-3.16666	HAL2	5619	0	0	0	0.09	
-5621	H52	SLES	1	27.4433	9.04461	-4.72502	HAL2	5619	0	0	0	0.09	
-5622	C6	SLES	1	26.3074	8.42124	-2.94049	CTL2	5619	5623	5624	5625	-0.18	
-5623	H61	SLES	1	26.4984	8.3481	-1.84629	HAL2	5622	0	0	0	0.09	
-5624	H62	SLES	1	25.6009	9.26718	-3.10962	HAL2	5622	0	0	0	0.09	
-5625	C7	SLES	1	25.6412	7.09686	-3.43087	CTL2	5622	5626	5627	5628	-0.18	
-5626	H71	SLES	1	26.1269	6.23585	-2.92041	HAL2	5625	0	0	0	0.09	
-5627	H72	SLES	1	25.8109	6.98763	-4.52523	HAL2	5625	0	0	0	0.09	
-5628	C8	SLES	1	24.1186	7.055	-3.14942	CTL2	5625	5629	5630	5631	-0.18	
-5629	H81	SLES	1	23.9325	7.38725	-2.10234	HAL2	5628	0	0	0	0.09	
-5630	H82	SLES	1	23.6024	7.76681	-3.8332	HAL2	5628	0	0	0	0.09	
-5631	C9	SLES	1	23.5192	5.63983	-3.34545	CTL2	5628	5632	5633	5634	-0.18	
-5632	H91	SLES	1	24.0559	4.92327	-2.68296	HAL2	5631	0	0	0	0.09	
-5633	H92	SLES	1	23.681	5.32012	-4.39955	HAL2	5631	0	0	0	0.09	
-5634	C10	SLES	1	22.0062	5.58403	-3.02768	CTL2	5631	5635	5636	5637	-0.18	
-5635	H10	SLES	1	21.8463	5.88141	-1.96617	HAL2	5634	0	0	0	0.09	
-5636	H10	SLES	1	21.4716	6.31623	-3.67427	HAL2	5634	0	0	0	0.09	
-5637	C11	SLES	1	21.403	4.17244	-3.25464	CTL2	5634	5638	5639	5640	-0.18	
-5638	H11	SLES	1	21.9363	3.44504	-2.60078	HAL2	5637	0	0	0	0.09	
-5639	H11	SLES	1	21.5811	3.87209	-4.31246	HAL2	5637	0	0	0	0.09	
-5640	C12	SLES	1	19.8829	4.08766	-2.96034	CTL3	5637	5641	5642	5643	-0.27	
-5641	H12	SLES	1	19.6849	3.33856	-2.16222	HAL3	5640	0	0	0	0.09	
-5642	H12	SLES	1	19.3282	3.78511	-3.87587	HAL3	5640	0	0	0	0.09	
-5643	H12	SLES	1	19.4982	5.07478	-2.62305	HAL3	5640	0	0	0	0.09	
-5644	NA	SLES	1	39.5394	18.8224	-5.86807	NA	0	0	0	0	1	
-5645	S	SLES	1	36.8079	21.2338	-5.5959	SL	5646	5647	5648	5649	1.33	
-5646	OS1	SLES	1	36.606	19.5705	-5.59394	OSL	5645	5650	0	0	-0.28	
-5647	OS2	SLES	1	37.6955	21.5387	-4.49288	O2L	5645	0	0	0	-0.65	
-5648	OS3	SLES	1	37.4523	21.5599	-6.8509	O2L	5645	0	0	0	-0.65	
-5649	OS4	SLES	1	35.5736	21.9909	-5.46221	O2L	5645	0	0	0	-0.65	
-5650	C2	SLES	1	35.1979	19.2219	-5.25316	CC32A	5646	5651	5652	5653	-0.11	
-5651	H2A	SLES	1	34.9004	19.6859	-4.27164	HCA2	5650	0	0	0	0.09	
-5652	H2B	SLES	1	34.5255	19.6198	-6.06294	HCA2	5650	0	0	0	0.09	
-5653	C1	SLES	1	35.0532	17.6291	-5.16373	CC32A	5650	5654	5655	5656	-0.01	
-5654	H1B	SLES	1	35.7815	17.2232	-4.42452	HCA2	5653	0	0	0	0.09	
-5655	H1A	SLES	1	35.2599	17.1727	-6.15974	HCA2	5653	0	0	0	0.09	
-5656	O1	SLES	1	33.7754	17.0232	-4.74167	OC30A	5653	5657	0	0	-0.34	
-5657	C2	SLES	1	32.606	17.8655	-4.81599	CC32A	5656	5658	5659	5660	-0.01	
-5658	H2A	SLES	1	32.8749	18.6863	-4.12261	HCA2	5657	0	0	0	0.09	
-5659	H2B	SLES	1	32.6523	18.2485	-5.86029	HCA2	5657	0	0	0	0.09	
-5660	C1	SLES	1	31.1582	17.373	-4.50197	CC32A	5657	5661	5662	5663	-0.01	
-5661	H1B	SLES	1	30.9318	17.5355	-3.42567	HCA2	5660	0	0	0	0.09	
-5662	H1A	SLES	1	30.4345	17.9536	-5.10855	HCA2	5660	0	0	0	0.09	
-5663	O1	SLES	1	30.7362	15.9783	-4.6413	OC30A	5660	5664	0	0	-0.34	
-5664	C1	SLES	1	29.3135	15.7881	-4.97873	CTL2	5663	5665	5666	5667	-0.18	
-5665	H11	SLES	1	28.8183	16.7698	-4.86817	HAL2	5664	0	0	0	0.09	
-5666	H12	SLES	1	29.3777	15.5416	-6.05873	HAL2	5664	0	0	0	0.09	
-5667	C2	SLES	1	28.4726	14.6823	-4.22615	CTL2	5664	5668	5669	5670	-0.18	
-5668	H21	SLES	1	29.1166	14.1914	-3.46256	HAL2	5667	0	0	0	0.09	
-5669	H22	SLES	1	28.158	13.9068	-4.9584	HAL2	5667	0	0	0	0.09	
-5670	C3	SLES	1	27.1706	15.2846	-3.50471	CTL2	5667	5671	5672	5673	-0.18	
-5671	H31	SLES	1	27.3631	15.3537	-2.41088	HAL2	5670	0	0	0	0.09	
-5672	H32	SLES	1	26.9895	16.3102	-3.88346	HAL2	5670	0	0	0	0.09	
-5673	C4	SLES	1	25.8698	14.411	-3.74352	CTL2	5670	5674	5675	5676	-0.18	
-5674	H41	SLES	1	25.6708	13.8063	-2.83421	HAL2	5673	0	0	0	0.09	
-5675	H42	SLES	1	26.0502	13.7109	-4.5875	HAL2	5673	0	0	0	0.09	
-5676	C5	SLES	1	24.5855	15.2984	-4.07199	CTL2	5673	5677	5678	5679	-0.18	
-5677	H51	SLES	1	24.7765	16.3463	-3.75104	HAL2	5676	0	0	0	0.09	
-5678	H52	SLES	1	24.4198	15.3028	-5.17356	HAL2	5676	0	0	0	0.09	
-5679	C6	SLES	1	23.2808	14.7771	-3.35981	CTL2	5676	5680	5681	5682	-0.18	
-5680	H61	SLES	1	23.3489	14.9978	-2.27091	HAL2	5679	0	0	0	0.09	
-5681	H62	SLES	1	22.4011	15.3282	-3.76715	HAL2	5679	0	0	0	0.09	
-5682	C7	SLES	1	23.0554	13.2444	-3.55565	CTL2	5679	5683	5684	5685	-0.18	
-5683	H71	SLES	1	23.6861	12.6889	-2.8266	HAL2	5682	0	0	0	0.09	
-5684	H72	SLES	1	23.3806	12.9567	-4.58029	HAL2	5682	0	0	0	0.09	
-5685	C8	SLES	1	21.576	12.829	-3.36023	CTL2	5682	5686	5687	5688	-0.18	
-5686	H81	SLES	1	21.1817	13.31	-2.43585	HAL2	5685	0	0	0	0.09	
-5687	H82	SLES	1	20.977	13.1993	-4.22322	HAL2	5685	0	0	0	0.09	
-5688	C9	SLES	1	21.4027	11.2937	-3.2452	CTL2	5685	5689	5690	5691	-0.18	
-5689	H91	SLES	1	22.0251	10.9203	-2.40052	HAL2	5688	0	0	0	0.09	
-5690	H92	SLES	1	21.7712	10.8158	-4.18079	HAL2	5688	0	0	0	0.09	
-5691	C10	SLES	1	19.9317	10.8758	-3.01067	CTL2	5688	5692	5693	5694	-0.18	
-5692	H10	SLES	1	19.57	11.3349	-2.06244	HAL2	5691	0	0	0	0.09	
-5693	H10	SLES	1	19.3051	11.2678	-3.84358	HAL2	5691	0	0	0	0.09	
-5694	C11	SLES	1	19.7576	9.33613	-2.9267	CTL2	5691	5695	5696	5697	-0.18	
-5695	H11	SLES	1	20.3808	8.94982	-2.08798	HAL2	5694	0	0	0	0.09	
-5696	H11	SLES	1	20.1371	8.88027	-3.86959	HAL2	5694	0	0	0	0.09	
-5697	C12	SLES	1	18.2904	8.88412	-2.70838	CTL3	5694	5698	5699	5700	-0.27	
-5698	H12	SLES	1	18.2024	8.29874	-1.76662	HAL3	5697	0	0	0	0.09	
-5699	H12	SLES	1	17.9523	8.24655	-3.5549	HAL3	5697	0	0	0	0.09	
-5700	H12	SLES	1	17.6191	9.76779	-2.64031	HAL3	5697	0	0	0	0.09	
-5701	NA	SLES	1	33.6411	28.1594	-5.23484	NA	0	0	0	0	1	
-5702	S	SLES	1	30.3695	29.6805	-5.81156	SL	5703	5704	5705	5706	1.33	
-5703	OS1	SLES	1	30.6122	28.0582	-5.47029	OSL	5702	5707	0	0	-0.28	
-5704	OS2	SLES	1	30.9434	30.4205	-4.7068	O2L	5702	0	0	0	-0.65	
-5705	OS3	SLES	1	31.1118	29.9524	-7.02464	O2L	5702	0	0	0	-0.65	
-5706	OS4	SLES	1	28.9762	30.057	-5.98927	O2L	5702	0	0	0	-0.65	
-5707	C2	SLES	1	29.3075	27.3812	-5.22625	CC32A	5703	5708	5709	5710	-0.11	
-5708	H2A	SLES	1	28.735	27.9046	-4.41049	HCA2	5707	0	0	0	0.09	
-5709	H2B	SLES	1	28.7038	27.4164	-6.17525	HCA2	5707	0	0	0	0.09	
-5710	C1	SLES	1	29.5711	25.8573	-4.80901	CC32A	5707	5711	5712	5713	-0.01	
-5711	H1B	SLES	1	30.2421	25.8182	-3.9202	HCA2	5710	0	0	0	0.09	
-5712	H1A	SLES	1	30.0579	25.312	-5.65093	HCA2	5710	0	0	0	0.09	
-5713	O1	SLES	1	28.4434	24.9906	-4.4151	OC30A	5710	5714	0	0	-0.34	
-5714	C2	SLES	1	27.1252	25.4293	-4.80552	CC32A	5713	5715	5716	5717	-0.01	
-5715	H2A	SLES	1	27.047	26.402	-4.28151	HCA2	5714	0	0	0	0.09	
-5716	H2B	SLES	1	27.2485	25.6181	-5.89571	HCA2	5714	0	0	0	0.09	
-5717	C1	SLES	1	25.8249	24.6007	-4.56064	CC32A	5714	5718	5719	5720	-0.01	
-5718	H1B	SLES	1	25.3826	24.8781	-3.57907	HCA2	5717	0	0	0	0.09	
-5719	H1A	SLES	1	25.09	24.8288	-5.35843	HCA2	5717	0	0	0	0.09	
-5720	O1	SLES	1	25.8127	23.1419	-4.44019	OC30A	5717	5721	0	0	-0.34	
-5721	C1	SLES	1	24.5692	22.4896	-4.88965	CTL2	5720	5722	5723	5724	-0.18	
-5722	H11	SLES	1	23.8231	23.2882	-5.05359	HAL2	5721	0	0	0	0.09	
-5723	H12	SLES	1	24.88	22.0854	-5.87517	HAL2	5721	0	0	0	0.09	
-5724	C2	SLES	1	23.9303	21.3385	-4.01612	CTL2	5721	5725	5726	5727	-0.18	
-5725	H21	SLES	1	24.5392	21.1993	-3.09488	HAL2	5724	0	0	0	0.09	
-5726	H22	SLES	1	23.96	20.3882	-4.59294	HAL2	5724	0	0	0	0.09	
-5727	C3	SLES	1	22.4123	21.6537	-3.59828	CTL2	5724	5728	5729	5730	-0.18	
-5728	H31	SLES	1	22.3892	21.9683	-2.53113	HAL2	5727	0	0	0	0.09	
-5729	H32	SLES	1	22.0372	22.4985	-4.20981	HAL2	5727	0	0	0	0.09	
-5730	C4	SLES	1	21.4462	20.4118	-3.78913	CTL2	5727	5731	5732	5733	-0.18	
-5731	H41	SLES	1	21.2591	19.9462	-2.79899	HAL2	5730	0	0	0	0.09	
-5732	H42	SLES	1	21.9456	19.6566	-4.43361	HAL2	5730	0	0	0	0.09	
-5733	C5	SLES	1	20.0508	20.8146	-4.44891	CTL2	5730	5734	5735	5736	-0.18	
-5734	H51	SLES	1	19.903	21.9121	-4.34433	HAL2	5733	0	0	0	0.09	
-5735	H52	SLES	1	20.0814	20.5755	-5.53651	HAL2	5733	0	0	0	0.09	
-5736	C6	SLES	1	18.8255	20.0709	-3.7954	CTL2	5733	5737	5738	5739	-0.18	
-5737	H61	SLES	1	18.6455	20.4909	-2.78039	HAL2	5736	0	0	0	0.09	
-5738	H62	SLES	1	17.9159	20.2612	-4.41166	HAL2	5736	0	0	0	0.09	
-5739	C7	SLES	1	19.0459	18.5296	-3.67699	CTL2	5736	5740	5741	5742	-0.18	
-5740	H71	SLES	1	19.6649	18.3197	-2.77668	HAL2	5739	0	0	0	0.09	
-5741	H72	SLES	1	19.6059	18.1723	-4.5698	HAL2	5739	0	0	0	0.09	
-5742	C8	SLES	1	17.7157	17.7432	-3.56749	CTL2	5739	5743	5744	5745	-0.18	
-5743	H81	SLES	1	17.0567	18.2445	-2.82197	HAL2	5742	0	0	0	0.09	
-5744	H82	SLES	1	17.1982	17.7645	-4.55357	HAL2	5742	0	0	0	0.09	
-5745	C9	SLES	1	17.9328	16.2696	-3.14126	CTL2	5742	5746	5747	5748	-0.18	
-5746	H91	SLES	1	18.4766	16.249	-2.16954	HAL2	5745	0	0	0	0.09	
-5747	H92	SLES	1	18.5685	15.762	-3.90131	HAL2	5745	0	0	0	0.09	
-5748	C10	SLES	1	16.6047	15.4904	-2.99235	CTL2	5745	5749	5750	5751	-0.18	
-5749	H10	SLES	1	15.9782	15.9847	-2.21517	HAL2	5748	0	0	0	0.09	
-5750	H10	SLES	1	16.0501	15.5293	-3.95719	HAL2	5748	0	0	0	0.09	
-5751	C11	SLES	1	16.8274	14.0069	-2.59535	CTL2	5748	5752	5753	5754	-0.18	
-5752	H11	SLES	1	17.3763	13.9733	-1.6265	HAL2	5751	0	0	0	0.09	
-5753	H11	SLES	1	17.469	13.5218	-3.36601	HAL2	5751	0	0	0	0.09	
-5754	C12	SLES	1	15.5146	13.1938	-2.45428	CTL3	5751	5755	5756	5757	-0.27	
-5755	H12	SLES	1	15.4223	12.7844	-1.4241	HAL3	5754	0	0	0	0.09	
-5756	H12	SLES	1	15.5056	12.3462	-3.17459	HAL3	5754	0	0	0	0.09	
-5757	H12	SLES	1	14.6342	13.8415	-2.65831	HAL3	5754	0	0	0	0.09	
-5758	NA	SLES	1	25.4466	35.82	-4.63445	NA	0	0	0	0	1	
-5759	S	SLES	1	22.0886	36.2346	-6.0135	SL	5760	5761	5762	5763	1.33	
-5760	OS1	SLES	1	22.6689	34.8114	-5.3464	OSL	5759	5764	0	0	-0.28	
-5761	OS2	SLES	1	22.2037	37.2454	-4.98276	O2L	5759	0	0	0	-0.65	
-5762	OS3	SLES	1	22.9722	36.5525	-7.11565	O2L	5759	0	0	0	-0.65	
-5763	OS4	SLES	1	20.715	36.1627	-6.48547	O2L	5759	0	0	0	-0.65	
-5764	C2	SLES	1	21.565	33.8209	-5.20269	CC32A	5760	5765	5766	5767	-0.11	
-5765	H2A	SLES	1	20.7174	34.2552	-4.60258	HCA2	5764	0	0	0	0.09	
-5766	H2B	SLES	1	21.1867	33.5563	-6.22891	HCA2	5764	0	0	0	0.09	
-5767	C1	SLES	1	22.1233	32.5068	-4.47649	CC32A	5764	5768	5769	5770	-0.01	
-5768	H1B	SLES	1	22.5787	32.7797	-3.49672	HCA2	5767	0	0	0	0.09	
-5769	H1A	SLES	1	22.9014	32.0234	-5.11215	HCA2	5767	0	0	0	0.09	
-5770	O1	SLES	1	21.2042	31.4075	-4.12355	OC30A	5767	5771	0	0	-0.34	
-5771	C2	SLES	1	19.9299	31.3891	-4.80057	CC32A	5770	5772	5773	5774	-0.01	
-5772	H2A	SLES	1	19.4921	32.3558	-4.48325	HCA2	5771	0	0	0	0.09	
-5773	H2B	SLES	1	20.2261	31.4637	-5.87111	HCA2	5771	0	0	0	0.09	
-5774	C1	SLES	1	18.8696	30.2563	-4.62763	CC32A	5771	5775	5776	5777	-0.01	
-5775	H1B	SLES	1	18.174	30.5167	-3.80034	HCA2	5774	0	0	0	0.09	
-5776	H1A	SLES	1	18.2855	30.1558	-5.56428	HCA2	5774	0	0	0	0.09	
-5777	O1	SLES	1	19.2135	28.8854	-4.24665	OC30A	5774	5778	0	0	-0.34	
-5778	C1	SLES	1	18.3067	27.847	-4.76938	CTL2	5777	5779	5780	5781	-0.18	
-5779	H11	SLES	1	17.4298	28.3655	-5.19773	HAL2	5778	0	0	0	0.09	
-5780	H12	SLES	1	18.9124	27.4275	-5.59915	HAL2	5778	0	0	0	0.09	
-5781	C2	SLES	1	17.8215	26.6821	-3.81866	CTL2	5778	5782	5783	5784	-0.18	
-5782	H21	SLES	1	18.2377	26.8461	-2.7995	HAL2	5781	0	0	0	0.09	
-5783	H22	SLES	1	18.2188	25.7157	-4.1993	HAL2	5781	0	0	0	0.09	
-5784	C3	SLES	1	16.2211	26.5924	-3.72299	CTL2	5781	5785	5786	5787	-0.18	
-5785	H31	SLES	1	15.8927	27.0212	-2.75004	HAL2	5784	0	0	0	0.09	
-5786	H32	SLES	1	15.7759	27.2052	-4.53201	HAL2	5784	0	0	0	0.09	
-5787	C4	SLES	1	15.6752	25.1091	-3.84145	CTL2	5784	5788	5789	5790	-0.18	
-5788	H41	SLES	1	15.4122	24.7407	-2.82794	HAL2	5787	0	0	0	0.09	
-5789	H42	SLES	1	16.4784	24.4558	-4.24539	HAL2	5787	0	0	0	0.09	
-5790	C5	SLES	1	14.3942	24.9995	-4.78576	CTL2	5787	5791	5792	5793	-0.18	
-5791	H51	SLES	1	13.9465	26.0104	-4.90923	HAL2	5790	0	0	0	0.09	
-5792	H52	SLES	1	14.7142	24.6419	-5.79106	HAL2	5790	0	0	0	0.09	
-5793	C6	SLES	1	13.2964	24.0217	-4.21987	CTL2	5790	5794	5795	5796	-0.18	
-5794	H61	SLES	1	12.8037	24.4981	-3.34273	HAL2	5793	0	0	0	0.09	
-5795	H62	SLES	1	12.5194	23.8578	-5.00267	HAL2	5793	0	0	0	0.09	
-5796	C7	SLES	1	13.8814	22.6401	-3.78726	CTL2	5793	5797	5798	5799	-0.18	
-5797	H71	SLES	1	14.33	22.7373	-2.77381	HAL2	5796	0	0	0	0.09	
-5798	H72	SLES	1	14.69	22.3497	-4.49444	HAL2	5796	0	0	0	0.09	
-5799	C8	SLES	1	12.8104	21.5213	-3.75819	CTL2	5796	5800	5801	5802	-0.18	
-5800	H81	SLES	1	11.9018	21.9004	-3.23646	HAL2	5799	0	0	0	0.09	
-5801	H82	SLES	1	12.5247	21.2638	-4.80351	HAL2	5799	0	0	0	0.09	
-5802	C9	SLES	1	13.3098	20.2425	-3.04016	CTL2	5799	5803	5804	5805	-0.18	
-5803	H91	SLES	1	13.6231	20.5065	-2.00452	HAL2	5802	0	0	0	0.09	
-5804	H92	SLES	1	14.2011	19.8487	-3.57867	HAL2	5802	0	0	0	0.09	
-5805	C10	SLES	1	12.2306	19.1361	-2.97385	CTL2	5802	5806	5807	5808	-0.18	
-5806	H10	SLES	1	11.3479	19.5221	-2.41478	HAL2	5805	0	0	0	0.09	
-5807	H10	SLES	1	11.9009	18.8873	-4.00797	HAL2	5805	0	0	0	0.09	
-5808	C11	SLES	1	12.7441	17.8458	-2.28141	CTL2	5805	5809	5810	5811	-0.18	
-5809	H11	SLES	1	13.0662	18.0986	-1.24534	HAL2	5808	0	0	0	0.09	
-5810	H11	SLES	1	13.6373	17.4737	-2.83334	HAL2	5808	0	0	0	0.09	
-5811	C12	SLES	1	11.6898	16.7107	-2.21398	CTL3	5808	5812	5813	5814	-0.27	
-5812	H12	SLES	1	11.493	16.4284	-1.15621	HAL3	5811	0	0	0	0.09	
-5813	H12	SLES	1	12.054	15.812	-2.75884	HAL3	5811	0	0	0	0.09	
-5814	H12	SLES	1	10.7342	17.042	-2.67591	HAL3	5811	0	0	0	0.09	
-5815	NA	SLES	1	15.4243	41.1986	-4.1046	NA	0	0	0	0	1	
-5816	S	SLES	1	12.4994	40.5274	-6.18904	SL	5817	5818	5819	5820	1.33	
-5817	OS1	SLES	1	13.261	39.3839	-5.23007	OSL	5816	5821	0	0	-0.28	
-5818	OS2	SLES	1	12.097	41.6004	-5.30342	O2L	5816	0	0	0	-0.65	
-5819	OS3	SLES	1	13.5016	41.0058	-7.11822	O2L	5816	0	0	0	-0.65	
-5820	OS4	SLES	1	11.3452	40.029	-6.91963	O2L	5816	0	0	0	-0.65	
-5821	C2	SLES	1	12.4565	38.1305	-5.18394	CC32A	5817	5822	5823	5824	-0.11	
-5822	H2A	SLES	1	11.4076	38.3445	-4.83584	HCA2	5821	0	0	0	0.09	
-5823	H2B	SLES	1	12.4146	37.6946	-6.22054	HCA2	5821	0	0	0	0.09	
-5824	C1	SLES	1	13.1547	37.0891	-4.18704	CC32A	5821	5825	5826	5827	-0.01	
-5825	H1B	SLES	1	13.2775	37.5516	-3.1807	HCA2	5824	0	0	0	0.09	
-5826	H1A	SLES	1	14.1599	36.8056	-4.57727	HCA2	5824	0	0	0	0.09	
-5827	O1	SLES	1	12.5024	35.8001	-3.88533	OC30A	5824	5828	0	0	-0.34	
-5828	C2	SLES	1	11.4752	35.3665	-4.80146	CC32A	5827	5829	5830	5831	-0.01	
-5829	H2A	SLES	1	10.7355	36.1864	-4.71516	HCA2	5828	0	0	0	0.09	
-5830	H2B	SLES	1	11.9848	35.4456	-5.78803	HCA2	5828	0	0	0	0.09	
-5831	C1	SLES	1	10.7421	33.9919	-4.69874	CC32A	5828	5832	5833	5834	-0.01	
-5832	H1B	SLES	1	9.82777	34.1	-4.07559	HCA2	5831	0	0	0	0.09	
-5833	H1A	SLES	1	10.4433	33.6599	-5.71316	HCA2	5831	0	0	0	0.09	
-5834	O1	SLES	1	11.3362	32.8095	-4.07286	OC30A	5831	5835	0	0	-0.34	
-5835	C1	SLES	1	10.8858	31.5189	-4.62549	CTL2	5834	5836	5837	5838	-0.18	
-5836	H11	SLES	1	10.0298	31.7304	-5.29152	HAL2	5835	0	0	0	0.09	
-5837	H12	SLES	1	11.7587	31.2328	-5.248	HAL2	5835	0	0	0	0.09	
-5838	C2	SLES	1	10.5158	30.3355	-3.64618	CTL2	5835	5839	5840	5841	-0.18	
-5839	H21	SLES	1	10.6214	30.6858	-2.59499	HAL2	5838	0	0	0	0.09	
-5840	H22	SLES	1	11.2324	29.4997	-3.80224	HAL2	5838	0	0	0	0.09	
-5841	C3	SLES	1	9.02024	29.7959	-3.87099	CTL2	5838	5842	5843	5844	-0.18	
-5842	H31	SLES	1	8.37048	30.1811	-3.05385	HAL2	5841	0	0	0	0.09	
-5843	H32	SLES	1	8.63267	30.1942	-4.82981	HAL2	5841	0	0	0	0.09	
-5844	C4	SLES	1	8.92964	28.2137	-3.89719	CTL2	5841	5845	5846	5847	-0.18	
-5845	H41	SLES	1	8.54207	27.8594	-2.91923	HAL2	5844	0	0	0	0.09	
-5846	H42	SLES	1	9.94862	27.792	-4.03465	HAL2	5844	0	0	0	0.09	
-5847	C5	SLES	1	7.98321	27.6717	-5.06138	CTL2	5844	5848	5849	5850	-0.18	
-5848	H51	SLES	1	7.32656	28.4991	-5.41027	HAL2	5847	0	0	0	0.09	
-5849	H52	SLES	1	8.61401	27.3497	-5.92124	HAL2	5847	0	0	0	0.09	
-5850	C6	SLES	1	7.08157	26.4627	-4.60657	CTL2	5847	5851	5852	5853	-0.18	
-5851	H61	SLES	1	6.2881	26.8391	-3.92258	HAL2	5850	0	0	0	0.09	
-5852	H62	SLES	1	6.58275	26.0257	-5.50304	HAL2	5850	0	0	0	0.09	
-5853	C7	SLES	1	7.89176	25.3432	-3.87953	CTL2	5850	5854	5855	5856	-0.18	
-5854	H71	SLES	1	8.04664	25.6386	-2.81816	HAL2	5853	0	0	0	0.09	
-5855	H72	SLES	1	8.89146	25.2477	-4.35893	HAL2	5853	0	0	0	0.09	
-5856	C8	SLES	1	7.17897	23.9685	-3.92033	CTL2	5853	5857	5858	5859	-0.18	
-5857	H81	SLES	1	6.10611	24.1065	-3.65327	HAL2	5856	0	0	0	0.09	
-5858	H82	SLES	1	7.22629	23.5647	-4.95732	HAL2	5856	0	0	0	0.09	
-5859	C9	SLES	1	7.81472	22.9432	-2.94825	CTL2	5856	5860	5861	5862	-0.18	
-5860	H91	SLES	1	7.79379	23.3604	-1.91584	HAL2	5859	0	0	0	0.09	
-5861	H92	SLES	1	8.87928	22.7849	-3.23314	HAL2	5859	0	0	0	0.09	
-5862	C10	SLES	1	7.08216	21.5806	-2.95635	CTL2	5859	5863	5864	5865	-0.18	
-5863	H10	SLES	1	6.02283	21.7354	-2.6487	HAL2	5862	0	0	0	0.09	
-5864	H10	SLES	1	7.08336	21.1733	-3.99273	HAL2	5862	0	0	0	0.09	
-5865	C11	SLES	1	7.74011	20.5466	-2.00462	CTL2	5862	5866	5867	5868	-0.18	
-5866	H11	SLES	1	7.7303	20.9557	-0.968441	HAL2	5865	0	0	0	0.09	
-5867	H11	SLES	1	8.8039	20.4087	-2.30506	HAL2	5865	0	0	0	0.09	
-5868	C12	SLES	1	7.03816	19.1639	-2.00261	CTL3	5865	5869	5870	5871	-0.27	
-5869	H12	SLES	1	6.67935	18.9141	-0.979772	HAL3	5868	0	0	0	0.09	
-5870	H12	SLES	1	7.74479	18.3712	-2.33377	HAL3	5868	0	0	0	0.09	
-5871	H12	SLES	1	6.16592	19.1716	-2.69201	HAL3	5868	0	0	0	0.09	
-5872	NA	SLES	1	4.22307	43.826	-3.67861	NA	0	0	0	0	1	
-5873	S	SLES	1	2.19591	42.3339	-6.32714	SL	5874	5875	5876	5877	1.33	
-5874	OS1	SLES	1	2.97779	41.4623	-5.1286	OSL	5873	5878	0	0	-0.28	
-5875	OS2	SLES	1	1.31304	43.26	-5.64862	O2L	5873	0	0	0	-0.65	
-5876	OS3	SLES	1	3.22811	43.0647	-7.03218	O2L	5873	0	0	0	-0.65	
-5877	OS4	SLES	1	1.43645	41.5221	-7.26448	O2L	5873	0	0	0	-0.65	
-5878	C2	SLES	1	2.55669	40.0336	-5.1712	CC32A	5874	5879	5880	5881	-0.11	
-5879	H2A	SLES	1	1.43687	39.9473	-5.09562	HCA2	5878	0	0	0	0.09	
-5880	H2B	SLES	1	2.8909	39.5918	-6.15066	HCA2	5878	0	0	0	0.09	
-5881	C1	SLES	1	3.24257	39.2427	-3.95887	CC32A	5878	5882	5883	5884	-0.01	
-5882	H1B	SLES	1	2.98387	39.7326	-2.99199	HCA2	5881	0	0	0	0.09	
-5883	H1A	SLES	1	4.35093	39.2496	-4.07989	HCA2	5881	0	0	0	0.09	
-5884	O1	SLES	1	2.90986	37.8257	-3.7154	OC30A	5881	5885	0	0	-0.34	
-5885	C2	SLES	1	2.29676	37.1097	-4.80812	CC32A	5884	5886	5887	5888	-0.01	
-5886	H2A	SLES	1	1.36532	37.6888	-4.96266	HCA2	5885	0	0	0	0.09	
-5887	H2B	SLES	1	2.99274	37.3179	-5.65168	HCA2	5885	0	0	0	0.09	
-5888	C1	SLES	1	1.96102	35.5855	-4.76951	CC32A	5885	5889	5890	5891	-0.01	
-5889	H1B	SLES	1	0.927307	35.4386	-4.38751	HCA2	5888	0	0	0	0.09	
-5890	H1A	SLES	1	2.02256	35.1711	-5.79572	HCA2	5888	0	0	0	0.09	
-5891	O1	SLES	1	2.67959	34.6257	-3.92971	OC30A	5888	5892	0	0	-0.34	
-5892	C1	SLES	1	2.74562	33.2542	-4.46701	CTL2	5891	5893	5894	5895	-0.18	
-5893	H11	SLES	1	2.05575	33.2083	-5.32907	HAL2	5892	0	0	0	0.09	
-5894	H12	SLES	1	3.78871	33.2187	-4.84381	HAL2	5892	0	0	0	0.09	
-5895	C2	SLES	1	2.48003	32.0258	-3.50952	CTL2	5892	5896	5897	5898	-0.18	
-5896	H21	SLES	1	2.22467	32.4036	-2.4942	HAL2	5895	0	0	0	0.09	
-5897	H22	SLES	1	3.41153	31.4242	-3.42669	HAL2	5895	0	0	0	0.09	
-5898	C3	SLES	1	1.28951	31.084	-4.033	CTL2	5895	5899	5900	5901	-0.18	
-5899	H31	SLES	1	0.379318	31.2798	-3.42348	HAL2	5898	0	0	0	0.09	
-5900	H32	SLES	1	1.05725	31.346	-5.08449	HAL2	5898	0	0	0	0.09	
-5901	C4	SLES	1	1.63959	29.5402	-3.95285	CTL2	5898	5902	5903	5904	-0.18	
-5902	H41	SLES	1	1.1338	29.1023	-3.06712	HAL2	5901	0	0	0	0.09	
-5903	H42	SLES	1	2.73585	29.4213	-3.81464	HAL2	5901	0	0	0	0.09	
-5904	C5	SLES	1	1.19213	28.7402	-5.25844	CTL2	5901	5905	5906	5907	-0.18	
-5905	H51	SLES	1	0.443164	29.3449	-5.81595	HAL2	5904	0	0	0	0.09	
-5906	H52	SLES	1	2.0781	28.5992	-5.91884	HAL2	5904	0	0	0	0.09	
-5907	C6	SLES	1	0.567952	27.3314	-4.93118	CTL2	5904	5908	5909	5910	-0.18	
-5908	H61	SLES	1	-0.440797	27.4767	-4.48352	HAL2	5907	0	0	0	0.09	
-5909	H62	SLES	1	0.442738	26.7613	-5.88133	HAL2	5907	0	0	0	0.09	
-5910	C7	SLES	1	1.44568	26.494	-3.94801	CTL2	5907	5911	5912	5913	-0.18	
-5911	H71	SLES	1	1.24849	26.8332	-2.90693	HAL2	5910	0	0	0	0.09	
-5912	H72	SLES	1	2.52	26.6787	-4.17179	HAL2	5910	0	0	0	0.09	
-5913	C8	SLES	1	1.16418	24.9738	-4.04374	CTL2	5910	5914	5915	5916	-0.18	
-5914	H81	SLES	1	0.0625813	24.8068	-4.0462	HAL2	5913	0	0	0	0.09	
-5915	H82	SLES	1	1.57287	24.5879	-5.00534	HAL2	5913	0	0	0	0.09	
-5916	C9	SLES	1	1.79371	24.1804	-2.87131	CTL2	5913	5917	5918	5919	-0.18	
-5917	H91	SLES	1	1.40709	24.5865	-1.90907	HAL2	5916	0	0	0	0.09	
-5918	H92	SLES	1	2.89747	24.3253	-2.88644	HAL2	5916	0	0	0	0.09	
-5919	C10	SLES	1	1.48248	22.6666	-2.94093	CTL2	5916	5920	5921	5922	-0.18	
-5920	H10	SLES	1	0.378932	22.52	-2.90226	HAL2	5919	0	0	0	0.09	
-5921	H10	SLES	1	1.84907	22.2643	-3.91241	HAL2	5919	0	0	0	0.09	
-5922	C11	SLES	1	2.14007	21.8708	-1.78235	CTL2	5919	5923	5924	5925	-0.18	
-5923	H11	SLES	1	1.76504	22.2724	-0.813214	HAL2	5922	0	0	0	0.09	
-5924	H11	SLES	1	3.24142	22.0349	-1.81435	HAL2	5922	0	0	0	0.09	
-5925	C12	SLES	1	1.86025	20.3465	-1.83343	CTL3	5922	5926	5927	5928	-0.27	
-5926	H12	SLES	1	1.34193	20.0174	-0.905869	HAL3	5925	0	0	0	0.09	
-5927	H12	SLES	1	2.81388	19.7814	-1.9261	HAL3	5925	0	0	0	0.09	
-5928	H12	SLES	1	1.21623	20.1001	-2.7056	HAL3	5925	0	0	0	0.09	
-5929	NA	SLES	1	-7.37328	43.4312	-3.38322	NA	0	0	0	0	1	
-5930	S	SLES	1	-8.20358	41.5753	-6.41912	SL	5931	5932	5933	5934	1.33	
-5931	OS1	SLES	1	-7.52366	40.8926	-5.04837	OSL	5930	5935	0	0	-0.28	
-5932	OS2	SLES	1	-9.44576	42.1885	-5.99669	O2L	5930	0	0	0	-0.65	
-5933	OS3	SLES	1	-7.27694	42.5956	-6.86294	O2L	5930	0	0	0	-0.65	
-5934	OS4	SLES	1	-8.4576	40.6345	-7.49835	O2L	5930	0	0	0	-0.65	
-5935	C2	SLES	1	-7.50757	39.4072	-5.16525	CC32A	5931	5936	5937	5938	-0.11	
-5936	H2A	SLES	1	-8.54292	39.0134	-5.36559	HCA2	5935	0	0	0	0.09	
-5937	H2B	SLES	1	-6.83751	39.1237	-6.02368	HCA2	5935	0	0	0	0.09	
-5938	C1	SLES	1	-6.94263	38.7748	-3.8063	CC32A	5935	5939	5940	5941	-0.01	
-5939	H1B	SLES	1	-7.55283	39.1258	-2.94245	HCA2	5938	0	0	0	0.09	
-5940	H1A	SLES	1	-5.88488	39.0915	-3.65126	HCA2	5938	0	0	0	0.09	
-5941	O1	SLES	1	-6.91667	37.3105	-3.62445	OC30A	5938	5942	0	0	-0.34	
-5942	C2	SLES	1	-7.02375	36.5096	-4.82015	CC32A	5941	5943	5944	5945	-0.01	
-5943	H2A	SLES	1	-8.01347	36.8181	-5.21019	HCA2	5942	0	0	0	0.09	
-5944	H2B	SLES	1	-6.23094	36.9428	-5.47064	HCA2	5942	0	0	0	0.09	
-5945	C1	SLES	1	-6.92136	34.9519	-4.83548	CC32A	5942	5946	5947	5948	-0.01	
-5946	H1B	SLES	1	-7.9338	34.5082	-4.71652	HCA2	5945	0	0	0	0.09	
-5947	H1A	SLES	1	-6.50115	34.6223	-5.80678	HCA2	5945	0	0	0	0.09	
-5948	O1	SLES	1	-6.18913	34.185	-3.82623	OC30A	5945	5949	0	0	-0.34	
-5949	C1	SLES	1	-5.61662	32.913	-4.3039	CTL2	5948	5950	5951	5952	-0.18	
-5950	H11	SLES	1	-6.03711	32.723	-5.30803	HAL2	5949	0	0	0	0.09	
-5951	H12	SLES	1	-4.54599	33.1838	-4.41195	HAL2	5949	0	0	0	0.09	
-5952	C2	SLES	1	-5.75311	31.6124	-3.41726	CTL2	5949	5953	5954	5955	-0.18	
-5953	H21	SLES	1	-6.34072	31.8542	-2.50345	HAL2	5952	0	0	0	0.09	
-5954	H22	SLES	1	-4.73975	31.2859	-3.09625	HAL2	5952	0	0	0	0.09	
-5955	C3	SLES	1	-6.47165	30.4077	-4.19883	CTL2	5952	5956	5957	5958	-0.18	
-5956	H31	SLES	1	-7.51947	30.3155	-3.8357	HAL2	5955	0	0	0	0.09	
-5957	H32	SLES	1	-6.50658	30.6484	-5.28006	HAL2	5955	0	0	0	0.09	
-5958	C4	SLES	1	-5.73622	29.0171	-4.00494	CTL2	5955	5959	5960	5961	-0.18	
-5959	H41	SLES	1	-6.29851	28.4134	-3.26233	HAL2	5958	0	0	0	0.09	
-5960	H42	SLES	1	-4.7173	29.1966	-3.59919	HAL2	5958	0	0	0	0.09	
-5961	C5	SLES	1	-5.61454	28.1917	-5.36457	CTL2	5958	5962	5963	5964	-0.18	
-5962	H51	SLES	1	-6.34443	28.595	-6.10079	HAL2	5961	0	0	0	0.09	
-5963	H52	SLES	1	-4.59219	28.3324	-5.78403	HAL2	5961	0	0	0	0.09	
-5964	C6	SLES	1	-5.88208	26.6511	-5.17333	CTL2	5961	5965	5966	5967	-0.18	
-5965	H61	SLES	1	-6.96841	26.4915	-4.99029	HAL2	5964	0	0	0	0.09	
-5966	H62	SLES	1	-5.61056	26.117	-6.11377	HAL2	5964	0	0	0	0.09	
-5967	C7	SLES	1	-5.07054	26.0383	-3.98839	CTL2	5964	5968	5969	5970	-0.18	
-5968	H71	SLES	1	-5.59954	26.2577	-3.03456	HAL2	5967	0	0	0	0.09	
-5969	H72	SLES	1	-4.06905	26.5215	-3.94478	HAL2	5967	0	0	0	0.09	
-5970	C8	SLES	1	-4.88637	24.5059	-4.12065	CTL2	5967	5971	5972	5973	-0.18	
-5971	H81	SLES	1	-5.86353	24.0436	-4.39057	HAL2	5970	0	0	0	0.09	
-5972	H82	SLES	1	-4.16694	24.2957	-4.94456	HAL2	5970	0	0	0	0.09	
-5973	C9	SLES	1	-4.36352	23.8578	-2.81418	CTL2	5970	5974	5975	5976	-0.18	
-5974	H91	SLES	1	-5.06823	24.0935	-1.98463	HAL2	5973	0	0	0	0.09	
-5975	H92	SLES	1	-3.37399	24.3004	-2.56035	HAL2	5973	0	0	0	0.09	
-5976	C10	SLES	1	-4.21509	22.3221	-2.92858	CTL2	5973	5977	5978	5979	-0.18	
-5977	H10	SLES	1	-5.20966	21.8768	-3.15951	HAL2	5976	0	0	0	0.09	
-5978	H10	SLES	1	-3.52783	22.085	-3.77208	HAL2	5976	0	0	0	0.09	
-5979	C11	SLES	1	-3.66214	21.6801	-1.62858	CTL2	5976	5980	5981	5982	-0.18	
-5980	H11	SLES	1	-4.35646	21.9142	-0.789407	HAL2	5979	0	0	0	0.09	
-5981	H11	SLES	1	-2.6761	22.1413	-1.39206	HAL2	5979	0	0	0	0.09	
-5982	C12	SLES	1	-3.48605	20.142	-1.71708	CTL3	5979	5983	5984	5985	-0.27	
-5983	H12	SLES	1	-4.10036	19.6372	-0.939148	HAL3	5982	0	0	0	0.09	
-5984	H12	SLES	1	-2.41992	19.8654	-1.56142	HAL3	5982	0	0	0	0.09	
-5985	H12	SLES	1	-3.80573	19.7726	-2.71581	HAL3	5982	0	0	0	0.09	
-5986	NA	SLES	1	-18.515	39.985	-3.237	NA	0	0	0	0	1	
-5987	S	SLES	1	-18.0879	38.316	-6.45922	SL	5988	5989	5990	5991	1.33	
-5988	OS1	SLES	1	-17.5626	37.6949	-4.99442	OSL	5987	5992	0	0	-0.28	
-5989	OS2	SLES	1	-19.5147	38.5255	-6.32574	O2L	5987	0	0	0	-0.65	
-5990	OS3	SLES	1	-17.4165	39.5887	-6.62113	O2L	5987	0	0	0	-0.65	
-5991	OS4	SLES	1	-17.8175	37.4646	-7.60654	O2L	5987	0	0	0	-0.65	
-5992	C2	SLES	1	-17.098	36.2896	-5.16647	CC32A	5988	5993	5994	5995	-0.11	
-5993	H2A	SLES	1	-17.9068	35.6578	-5.62879	HCA2	5992	0	0	0	0.09	
-5994	H2B	SLES	1	-16.2022	36.2904	-5.84756	HCA2	5992	0	0	0	0.09	
-5995	C1	SLES	1	-16.6916	35.6873	-3.73892	CC32A	5992	5996	5997	5998	-0.01	
-5996	H1B	SLES	1	-17.552	35.7666	-3.03519	HCA2	5995	0	0	0	0.09	
-5997	H1A	SLES	1	-15.8298	36.2562	-3.31832	HCA2	5995	0	0	0	0.09	
-5998	O1	SLES	1	-16.29	34.2724	-3.61819	OC30A	5995	5999	0	0	-0.34	
-5999	C2	SLES	1	-15.8967	33.6068	-4.83679	CC32A	5998	6000	6001	6002	-0.01	
-6000	H2A	SLES	1	-16.8213	33.6803	-5.44222	HCA2	5999	0	0	0	0.09	
-6001	H2B	SLES	1	-15.137	34.3041	-5.25628	HCA2	5999	0	0	0	0.09	
-6002	C1	SLES	1	-15.3535	32.1443	-4.89251	CC32A	5999	6003	6004	6005	-0.01	
-6003	H1B	SLES	1	-16.1974	31.4361	-5.04193	HCA2	6002	0	0	0	0.09	
-6004	H1A	SLES	1	-14.6526	32.0465	-5.74563	HCA2	6002	0	0	0	0.09	
-6005	O1	SLES	1	-14.6754	31.4959	-3.76889	OC30A	6002	6006	0	0	-0.34	
-6006	C1	SLES	1	-13.6729	30.4827	-4.14641	CTL2	6005	6007	6008	6009	-0.18	
-6007	H11	SLES	1	-13.7886	30.2976	-5.22971	HAL2	6006	0	0	0	0.09	
-6008	H12	SLES	1	-12.7278	31.0397	-3.97958	HAL2	6006	0	0	0	0.09	
-6009	C2	SLES	1	-13.6255	29.1046	-3.37521	CTL2	6006	6010	6011	6012	-0.18	
-6010	H21	SLES	1	-14.4447	29.0799	-2.62217	HAL2	6009	0	0	0	0.09	
-6011	H22	SLES	1	-12.6584	29.0277	-2.83169	HAL2	6009	0	0	0	0.09	
-6012	C3	SLES	1	-13.7789	27.844	-4.35806	CTL2	6009	6013	6014	6015	-0.18	
-6013	H31	SLES	1	-14.8102	27.4365	-4.26461	HAL2	6012	0	0	0	0.09	
-6014	H32	SLES	1	-13.6408	28.1827	-5.40423	HAL2	6012	0	0	0	0.09	
-6015	C4	SLES	1	-12.7394	26.6879	-4.05017	CTL2	6012	6016	6017	6018	-0.18	
-6016	H41	SLES	1	-13.2559	25.8789	-3.49259	HAL2	6015	0	0	0	0.09	
-6017	H42	SLES	1	-11.9302	27.0878	-3.40182	HAL2	6015	0	0	0	0.09	
-6018	C5	SLES	1	-12.0895	26.0777	-5.37309	CTL2	6015	6019	6020	6021	-0.18	
-6019	H51	SLES	1	-12.7222	26.349	-6.24689	HAL2	6018	0	0	0	0.09	
-6020	H52	SLES	1	-11.0834	26.5311	-5.52527	HAL2	6018	0	0	0	0.09	
-6021	C6	SLES	1	-11.9419	24.5104	-5.31778	CTL2	6018	6022	6023	6024	-0.18	
-6022	H61	SLES	1	-12.9499	24.0475	-5.41107	HAL2	6021	0	0	0	0.09	
-6023	H62	SLES	1	-11.3282	24.1736	-6.18576	HAL2	6021	0	0	0	0.09	
-6024	C7	SLES	1	-11.2726	24.0115	-3.99813	CTL2	6021	6025	6026	6027	-0.18	
-6025	H71	SLES	1	-12.0396	23.9767	-3.19303	HAL2	6024	0	0	0	0.09	
-6026	H72	SLES	1	-10.4861	24.7369	-3.69215	HAL2	6024	0	0	0	0.09	
-6027	C8	SLES	1	-10.6345	22.6078	-4.14625	CTL2	6024	6028	6029	6030	-0.18	
-6028	H81	SLES	1	-11.3541	21.9335	-4.66475	HAL2	6027	0	0	0	0.09	
-6029	H82	SLES	1	-9.72124	22.6881	-4.77879	HAL2	6027	0	0	0	0.09	
-6030	C9	SLES	1	-10.2513	21.9849	-2.78044	CTL2	6027	6031	6032	6033	-0.18	
-6031	H91	SLES	1	-11.1593	21.9322	-2.13777	HAL2	6030	0	0	0	0.09	
-6032	H92	SLES	1	-9.51091	22.6454	-2.27535	HAL2	6030	0	0	0	0.09	
-6033	C10	SLES	1	-9.64949	20.5665	-2.92006	CTL2	6030	6034	6035	6036	-0.18	
-6034	H10	SLES	1	-10.3988	19.8996	-3.4043	HAL2	6033	0	0	0	0.09	
-6035	H10	SLES	1	-8.75424	20.6147	-3.58055	HAL2	6033	0	0	0	0.09	
-6036	C11	SLES	1	-9.23849	19.9582	-1.55296	CTL2	6033	6037	6038	6039	-0.18	
-6037	H11	SLES	1	-10.1385	19.9057	-0.898515	HAL2	6036	0	0	0	0.09	
-6038	H11	SLES	1	-8.50286	20.6374	-1.06472	HAL2	6036	0	0	0	0.09	
-6039	C12	SLES	1	-8.61596	18.5421	-1.66087	CTL3	6036	6040	6041	6042	-0.27	
-6040	H12	SLES	1	-9.21708	17.8101	-1.07752	HAL3	6039	0	0	0	0.09	
-6041	H12	SLES	1	-7.57732	18.5451	-1.26267	HAL3	6039	0	0	0	0.09	
-6042	H12	SLES	1	-8.58762	18.2115	-2.72202	HAL3	6039	0	0	0	0.09	
-6043	NA	SLES	1	-28.3699	33.7146	-3.24915	NA	0	0	0	0	1	
-6044	S	SLES	1	-26.881	32.7549	-6.4449	SL	6045	6046	6047	6048	1.33	
-6045	OS1	SLES	1	-26.4823	32.0668	-4.97013	OSL	6044	6049	0	0	-0.28	
-6046	OS2	SLES	1	-28.3058	32.5588	-6.6151	O2L	6044	0	0	0	-0.65	
-6047	OS3	SLES	1	-26.5899	34.168	-6.32194	O2L	6044	0	0	0	-0.65	
-6048	OS4	SLES	1	-26.1653	32.1995	-7.58225	O2L	6044	0	0	0	-0.65	
-6049	C2	SLES	1	-25.6063	30.8789	-5.17479	CC32A	6045	6050	6051	6052	-0.11	
-6050	H2A	SLES	1	-26.0955	30.1397	-5.86869	HCA2	6049	0	0	0	0.09	
-6051	H2B	SLES	1	-24.6383	31.2237	-5.63338	HCA2	6049	0	0	0	0.09	
-6052	C1	SLES	1	-25.3177	30.1835	-3.76097	CC32A	6049	6053	6054	6055	-0.01	
-6053	H1B	SLES	1	-26.28	29.9205	-3.26438	HCA2	6052	0	0	0	0.09	
-6054	H1A	SLES	1	-24.7529	30.8833	-3.10199	HCA2	6052	0	0	0	0.09	
-6055	O1	SLES	1	-24.5529	28.923	-3.69701	OC30A	6052	6056	0	0	-0.34	
-6056	C2	SLES	1	-23.7624	28.5881	-4.85698	CC32A	6055	6057	6058	6059	-0.01	
-6057	H2A	SLES	1	-24.538	28.5126	-5.64415	HCA2	6056	0	0	0	0.09	
-6058	H2B	SLES	1	-23.1731	29.518	-5.02207	HCA2	6056	0	0	0	0.09	
-6059	C1	SLES	1	-22.8179	27.3476	-4.93702	CC32A	6056	6060	6061	6062	-0.01	
-6060	H1B	SLES	1	-23.3764	26.4764	-5.3433	HCA2	6059	0	0	0	0.09	
-6061	H1A	SLES	1	-21.9719	27.5751	-5.61612	HCA2	6059	0	0	0	0.09	
-6062	O1	SLES	1	-22.2039	26.7283	-3.76131	OC30A	6059	6063	0	0	-0.34	
-6063	C1	SLES	1	-20.8984	26.0875	-4.00443	CTL2	6062	6064	6065	6066	-0.18	
-6064	H11	SLES	1	-20.7503	26.0546	-5.09903	HAL2	6063	0	0	0	0.09	
-6065	H12	SLES	1	-20.2044	26.8386	-3.57385	HAL2	6063	0	0	0	0.09	
-6066	C2	SLES	1	-20.5986	24.6648	-3.38599	CTL2	6063	6067	6068	6069	-0.18	
-6067	H21	SLES	1	-21.5014	24.3058	-2.8429	HAL2	6066	0	0	0	0.09	
-6068	H22	SLES	1	-19.7706	24.7581	-2.64962	HAL2	6066	0	0	0	0.09	
-6069	C3	SLES	1	-20.1927	23.5826	-4.50068	CTL2	6066	6070	6071	6072	-0.18	
-6070	H31	SLES	1	-21.0597	22.9094	-4.68326	HAL2	6069	0	0	0	0.09	
-6071	H32	SLES	1	-19.9653	24.1088	-5.44919	HAL2	6069	0	0	0	0.09	
-6072	C4	SLES	1	-18.9394	22.7056	-4.08571	CTL2	6069	6073	6074	6075	-0.18	
-6073	H41	SLES	1	-19.2939	21.711	-3.74344	HAL2	6072	0	0	0	0.09	
-6074	H42	SLES	1	-18.4175	23.1944	-3.23495	HAL2	6072	0	0	0	0.09	
-6075	C5	SLES	1	-17.9046	22.5074	-5.28347	CTL2	6072	6076	6077	6078	-0.18	
-6076	H51	SLES	1	-18.4133	22.7397	-6.24506	HAL2	6075	0	0	0	0.09	
-6077	H52	SLES	1	-17.0634	23.227	-5.15883	HAL2	6075	0	0	0	0.09	
-6078	C6	SLES	1	-17.3217	21.0457	-5.35547	CTL2	6075	6079	6080	6081	-0.18	
-6079	H61	SLES	1	-18.1159	20.3559	-5.71939	HAL2	6078	0	0	0	0.09	
-6080	H62	SLES	1	-16.4854	21.0254	-6.09277	HAL2	6078	0	0	0	0.09	
-6081	C7	SLES	1	-16.7961	20.535	-3.97662	CTL2	6078	6082	6083	6084	-0.18	
-6082	H71	SLES	1	-17.6567	20.1717	-3.37237	HAL2	6081	0	0	0	0.09	
-6083	H72	SLES	1	-16.3259	21.3824	-3.4298	HAL2	6081	0	0	0	0.09	
-6084	C8	SLES	1	-15.7623	19.3902	-4.1189	CTL2	6081	6085	6086	6087	-0.18	
-6085	H81	SLES	1	-16.1448	18.643	-4.8515	HAL2	6084	0	0	0	0.09	
-6086	H82	SLES	1	-14.81	19.8075	-4.51845	HAL2	6084	0	0	0	0.09	
-6087	C9	SLES	1	-15.4778	18.679	-2.77222	CTL2	6084	6088	6089	6090	-0.18	
-6088	H91	SLES	1	-16.4351	18.2878	-2.35888	HAL2	6087	0	0	0	0.09	
-6089	H92	SLES	1	-15.0693	19.4207	-2.04937	HAL2	6087	0	0	0	0.09	
-6090	C10	SLES	1	-14.4754	17.5094	-2.91592	CTL2	6087	6091	6092	6093	-0.18	
-6091	H10	SLES	1	-14.8944	16.7559	-3.62123	HAL2	6090	0	0	0	0.09	
-6092	H10	SLES	1	-13.5255	17.8959	-3.34985	HAL2	6090	0	0	0	0.09	
-6093	C11	SLES	1	-14.1694	16.8191	-1.56026	CTL2	6090	6094	6095	6096	-0.18	
-6094	H11	SLES	1	-15.1215	16.4284	-1.13368	HAL2	6093	0	0	0	0.09	
-6095	H11	SLES	1	-13.7676	17.5801	-0.852894	HAL2	6093	0	0	0	0.09	
-6096	C12	SLES	1	-13.1541	15.6521	-1.66833	CTL3	6093	6097	6098	6099	-0.27	
-6097	H12	SLES	1	-13.6152	14.7044	-1.31228	HAL3	6096	0	0	0	0.09	
-6098	H12	SLES	1	-12.2549	15.8634	-1.0486	HAL3	6096	0	0	0	0.09	
-6099	H12	SLES	1	-12.8328	15.515	-2.72382	HAL3	6096	0	0	0	0.09	
-6100	NA	SLES	1	-36.208	25.0874	-3.41889	NA	0	0	0	0	1	
-6101	S	SLES	1	-34.0671	25.2147	-6.37706	SL	6102	6103	6104	6105	1.33	
-6102	OS1	SLES	1	-33.6981	24.3713	-4.97705	OSL	6101	6106	0	0	-0.28	
-6103	OS2	SLES	1	-35.3336	24.6924	-6.84659	O2L	6101	0	0	0	-0.65	
-6104	OS3	SLES	1	-34.221	26.5998	-5.98418	O2L	6101	0	0	0	-0.65	
-6105	OS4	SLES	1	-33.0669	25.1065	-7.42702	O2L	6101	0	0	0	-0.65	
-6106	C2	SLES	1	-32.4941	23.5196	-5.18968	CC32A	6102	6107	6108	6109	-0.11	
-6107	H2A	SLES	1	-32.643	22.8343	-6.0702	HCA2	6106	0	0	0	0.09	
-6108	H2B	SLES	1	-31.6139	24.1901	-5.39459	HCA2	6106	0	0	0	0.09	
-6109	C1	SLES	1	-32.2186	22.6529	-3.87107	CC32A	6106	6110	6111	6112	-0.01	
-6110	H1B	SLES	1	-33.1226	22.0535	-3.61562	HCA2	6109	0	0	0	0.09	
-6111	H1A	SLES	1	-31.9816	23.3279	-3.01585	HCA2	6109	0	0	0	0.09	
-6112	O1	SLES	1	-31.1366	21.6494	-3.85596	OC30A	6109	6113	0	0	-0.34	
-6113	C2	SLES	1	-30.1268	21.7735	-4.87946	CC32A	6112	6114	6115	6116	-0.01	
-6114	H2A	SLES	1	-30.727	21.6589	-5.80331	HCA2	6113	0	0	0	0.09	
-6115	H2B	SLES	1	-29.8171	22.8384	-4.78273	HCA2	6113	0	0	0	0.09	
-6116	C1	SLES	1	-28.8603	20.8649	-4.96621	CC32A	6113	6117	6118	6119	-0.01	
-6117	H1B	SLES	1	-29.0771	19.9788	-5.6017	HCA2	6116	0	0	0	0.09	
-6118	H1A	SLES	1	-28.0301	21.4373	-5.42639	HCA2	6116	0	0	0	0.09	
-6119	O1	SLES	1	-28.2654	20.203	-3.80397	OC30A	6116	6120	0	0	-0.34	
-6120	C1	SLES	1	-26.8091	19.9875	-3.88689	CTL2	6119	6121	6122	6123	-0.18	
-6121	H11	SLES	1	-26.5043	20.2161	-4.92421	HAL2	6120	0	0	0	0.09	
-6122	H12	SLES	1	-26.4325	20.7906	-3.22026	HAL2	6120	0	0	0	0.09	
-6123	C2	SLES	1	-26.1983	18.5977	-3.44895	CTL2	6120	6124	6125	6126	-0.18	
-6124	H21	SLES	1	-27.0246	17.9138	-3.15177	HAL2	6123	0	0	0	0.09	
-6125	H22	SLES	1	-25.5465	18.753	-2.5615	HAL2	6123	0	0	0	0.09	
-6126	C3	SLES	1	-25.3409	17.9069	-4.61775	CTL2	6123	6127	6128	6129	-0.18	
-6127	H31	SLES	1	-25.939	17.0821	-5.06535	HAL2	6126	0	0	0	0.09	
-6128	H32	SLES	1	-25.1448	18.6544	-5.41212	HAL2	6126	0	0	0	0.09	
-6129	C4	SLES	1	-23.9583	17.322	-4.10932	CTL2	6126	6130	6131	6132	-0.18	
-6130	H41	SLES	1	-24.0522	16.2214	-3.9991	HAL2	6129	0	0	0	0.09	
-6131	H42	SLES	1	-23.7276	17.7477	-3.10906	HAL2	6129	0	0	0	0.09	
-6132	C5	SLES	1	-22.7519	17.6465	-5.10135	CTL2	6129	6133	6134	6135	-0.18	
-6133	H51	SLES	1	-23.1647	17.9272	-6.09543	HAL2	6132	0	0	0	0.09	
-6134	H52	SLES	1	-22.1837	18.52	-4.70772	HAL2	6132	0	0	0	0.09	
-6135	C6	SLES	1	-21.7642	16.4331	-5.28402	CTL2	6132	6136	6137	6138	-0.18	
-6136	H61	SLES	1	-22.2628	15.6482	-5.8959	HAL2	6135	0	0	0	0.09	
-6137	H62	SLES	1	-20.8626	16.7807	-5.84064	HAL2	6135	0	0	0	0.09	
-6138	C7	SLES	1	-21.3134	15.8096	-3.92522	CTL2	6135	6139	6140	6141	-0.18	
-6139	H71	SLES	1	-22.1071	15.1202	-3.56132	HAL2	6138	0	0	0	0.09	
-6140	H72	SLES	1	-21.193	16.6219	-3.17419	HAL2	6138	0	0	0	0.09	
-6141	C8	SLES	1	-19.9814	15.0272	-4.04035	CTL2	6138	6142	6143	6144	-0.18	
-6142	H81	SLES	1	-20.0217	14.3699	-4.93908	HAL2	6141	0	0	0	0.09	
-6143	H82	SLES	1	-19.1456	15.7501	-4.17989	HAL2	6141	0	0	0	0.09	
-6144	C9	SLES	1	-19.6957	14.158	-2.79003	CTL2	6141	6145	6146	6147	-0.18	
-6145	H91	SLES	1	-20.5458	13.4557	-2.63406	HAL2	6144	0	0	0	0.09	
-6146	H92	SLES	1	-19.6279	14.8188	-1.89658	HAL2	6144	0	0	0	0.09	
-6147	C10	SLES	1	-18.386	13.3443	-2.9164	CTL2	6144	6148	6149	6150	-0.18	
-6148	H10	SLES	1	-18.4628	12.666	-3.79669	HAL2	6147	0	0	0	0.09	
-6149	H10	SLES	1	-17.5386	14.0444	-3.09448	HAL2	6147	0	0	0	0.09	
-6150	C11	SLES	1	-18.0873	12.4987	-1.65001	CTL2	6147	6151	6152	6153	-0.18	
-6151	H11	SLES	1	-18.9344	11.7954	-1.48014	HAL2	6150	0	0	0	0.09	
-6152	H11	SLES	1	-18.0292	13.1791	-0.769892	HAL2	6150	0	0	0	0.09	
-6153	C12	SLES	1	-16.7712	11.6835	-1.73899	CTL3	6150	6154	6155	6156	-0.27	
-6154	H12	SLES	1	-16.9815	10.5968	-1.62869	HAL3	6153	0	0	0	0.09	
-6155	H12	SLES	1	-16.0699	11.9924	-0.932679	HAL3	6153	0	0	0	0.09	
-6156	H12	SLES	1	-16.2777	11.8509	-2.72112	HAL3	6153	0	0	0	0.09	
-6157	NA	SLES	1	-41.4752	14.7628	-3.73556	NA	0	0	0	0	1	
-6158	S	SLES	1	-39.2137	16.1279	-6.25998	SL	6159	6160	6161	6162	1.33	
-6159	OS1	SLES	1	-38.7399	15.1119	-5.01472	OSL	6158	6163	0	0	-0.28	
-6160	OS2	SLES	1	-40.2293	15.4137	-7.00567	O2L	6158	0	0	0	-0.65	
-6161	OS3	SLES	1	-39.7952	17.2943	-5.62907	O2L	6158	0	0	0	-0.65	
-6162	OS4	SLES	1	-38.1376	16.532	-7.15059	O2L	6158	0	0	0	-0.65	
-6163	C2	SLES	1	-37.3273	14.6799	-5.21021	CC32A	6159	6164	6165	6166	-0.11	
-6164	H2A	SLES	1	-37.1944	14.2019	-6.22067	HCA2	6163	0	0	0	0.09	
-6165	H2B	SLES	1	-36.6643	15.5868	-5.14619	HCA2	6163	0	0	0	0.09	
-6166	C1	SLES	1	-36.9286	13.6363	-4.06228	CC32A	6163	6167	6168	6169	-0.01	
-6167	H1B	SLES	1	-37.6393	12.7779	-4.06685	HCA2	6166	0	0	0	0.09	
-6168	H1A	SLES	1	-36.9723	14.1336	-3.06533	HCA2	6166	0	0	0	0.09	
-6169	O1	SLES	1	-35.6083	12.9774	-4.08506	OC30A	6166	6170	0	0	-0.34	
-6170	C2	SLES	1	-34.5925	13.5955	-4.90283	CC32A	6169	6171	6172	6173	-0.01	
-6171	H2A	SLES	1	-35.0512	13.5434	-5.90968	HCA2	6170	0	0	0	0.09	
-6172	H2B	SLES	1	-34.6136	14.6523	-4.55329	HCA2	6170	0	0	0	0.09	
-6173	C1	SLES	1	-33.1148	13.0976	-4.97824	CC32A	6170	6174	6175	6176	-0.01	
-6174	H1B	SLES	1	-33.01	12.3572	-5.80088	HCA2	6173	0	0	0	0.09	
-6175	H1A	SLES	1	-32.4489	13.9585	-5.18836	HCA2	6173	0	0	0	0.09	
-6176	O1	SLES	1	-32.4574	12.3659	-3.89418	OC30A	6173	6177	0	0	-0.34	
-6177	C1	SLES	1	-30.9996	12.5664	-3.80118	CTL2	6176	6178	6179	6180	-0.18	
-6178	H11	SLES	1	-30.6849	13.1	-4.71623	HAL2	6177	0	0	0	0.09	
-6179	H12	SLES	1	-30.9308	13.264	-2.94102	HAL2	6177	0	0	0	0.09	
-6180	C2	SLES	1	-30.0535	11.3242	-3.56011	CTL2	6177	6181	6182	6183	-0.18	
-6181	H21	SLES	1	-30.6692	10.3975	-3.52937	HAL2	6180	0	0	0	0.09	
-6182	H22	SLES	1	-29.5541	11.4364	-2.57285	HAL2	6180	0	0	0	0.09	
-6183	C3	SLES	1	-28.9346	11.1723	-4.70189	CTL2	6180	6184	6185	6186	-0.18	
-6184	H31	SLES	1	-29.2273	10.3456	-5.38686	HAL2	6183	0	0	0	0.09	
-6185	H32	SLES	1	-28.8948	12.1074	-5.29536	HAL2	6183	0	0	0	0.09	
-6186	C4	SLES	1	-27.4917	10.8708	-4.11953	CTL2	6183	6187	6188	6189	-0.18	
-6187	H41	SLES	1	-27.2725	9.78978	-4.24352	HAL2	6186	0	0	0	0.09	
-6188	H42	SLES	1	-27.4819	11.0996	-3.03205	HAL2	6186	0	0	0	0.09	
-6189	C5	SLES	1	-26.3492	11.7212	-4.83816	CTL2	6186	6190	6191	6192	-0.18	
-6190	H51	SLES	1	-26.7374	12.1049	-5.80739	HAL2	6189	0	0	0	0.09	
-6191	H52	SLES	1	-26.0943	12.5982	-4.2003	HAL2	6189	0	0	0	0.09	
-6192	C6	SLES	1	-25.0407	10.8866	-5.10793	CTL2	6189	6193	6194	6195	-0.18	
-6193	H61	SLES	1	-25.2359	10.1613	-5.92951	HAL2	6192	0	0	0	0.09	
-6194	H62	SLES	1	-24.2334	11.5779	-5.44523	HAL2	6192	0	0	0	0.09	
-6195	C7	SLES	1	-24.5489	10.1076	-3.84715	CTL2	6192	6196	6197	6198	-0.18	
-6196	H71	SLES	1	-25.1378	9.16896	-3.748	HAL2	6195	0	0	0	0.09	
-6197	H72	SLES	1	-24.7344	10.7269	-2.94139	HAL2	6195	0	0	0	0.09	
-6198	C8	SLES	1	-23.0428	9.75166	-3.91551	CTL2	6195	6199	6200	6201	-0.18	
-6199	H81	SLES	1	-22.8129	9.3327	-4.922	HAL2	6198	0	0	0	0.09	
-6200	H82	SLES	1	-22.443	10.681	-3.7844	HAL2	6198	0	0	0	0.09	
-6201	C9	SLES	1	-22.6278	8.72417	-2.83274	CTL2	6198	6202	6203	6204	-0.18	
-6202	H91	SLES	1	-23.2487	7.80654	-2.94602	HAL2	6201	0	0	0	0.09	
-6203	H92	SLES	1	-22.832	9.15488	-1.82661	HAL2	6201	0	0	0	0.09	
-6204	C10	SLES	1	-21.133	8.33561	-2.92149	CTL2	6201	6205	6206	6207	-0.18	
-6205	H10	SLES	1	-20.9335	7.88319	-3.91964	HAL2	6204	0	0	0	0.09	
-6206	H10	SLES	1	-20.5121	9.25553	-2.83048	HAL2	6204	0	0	0	0.09	
-6207	C11	SLES	1	-20.7138	7.32993	-1.81656	CTL2	6204	6208	6209	6210	-0.18	
-6208	H11	SLES	1	-21.3328	6.40904	-1.9161	HAL2	6207	0	0	0	0.09	
-6209	H11	SLES	1	-20.9318	7.77951	-0.82093	HAL2	6207	0	0	0	0.09	
-6210	C12	SLES	1	-19.2157	6.93306	-1.86841	CTL3	6207	6211	6212	6213	-0.27	
-6211	H12	SLES	1	-19.1115	5.83427	-2.00687	HAL3	6210	0	0	0	0.09	
-6212	H12	SLES	1	-18.7066	7.22089	-0.922181	HAL3	6210	0	0	0	0.09	
-6213	H12	SLES	1	-18.7083	7.44639	-2.71407	HAL3	6210	0	0	0	0.09	
-6214	NA	SLES	1	-43.843	3.52213	-4.17926	NA	0	0	0	0	1	
-6215	S	SLES	1	-41.9946	6.02027	-6.101	SL	6216	6217	6218	6219	1.33	
-6216	OS1	SLES	1	-41.2857	4.89597	-5.08079	OSL	6215	6220	0	0	-0.28	
-6217	OS2	SLES	1	-42.7455	5.26488	-7.08234	O2L	6215	0	0	0	-0.65	
-6218	OS3	SLES	1	-42.8998	6.79581	-5.27892	O2L	6215	0	0	0	-0.65	
-6219	OS4	SLES	1	-41.0538	6.90418	-6.77033	O2L	6215	0	0	0	-0.65	
-6220	C2	SLES	1	-39.8039	4.92102	-5.23508	CC32A	6216	6221	6222	6223	-0.11	
-6221	H2A	SLES	1	-39.5138	4.75916	-6.31064	HCA2	6220	0	0	0	0.09	
-6222	H2B	SLES	1	-39.4273	5.92833	-4.90379	HCA2	6220	0	0	0	0.09	
-6223	C1	SLES	1	-39.1566	3.7746	-4.32261	CC32A	6220	6224	6225	6226	-0.01	
-6224	H1B	SLES	1	-39.5943	2.78522	-4.58971	HCA2	6223	0	0	0	0.09	
-6225	H1A	SLES	1	-39.3663	3.98173	-3.24731	HCA2	6223	0	0	0	0.09	
-6226	O1	SLES	1	-37.7035	3.52126	-4.3699	OC30A	6223	6227	0	0	-0.34	
-6227	C2	SLES	1	-36.8832	4.57046	-4.9256	CC32A	6226	6228	6229	6230	-0.01	
-6228	H2A	SLES	1	-37.281	4.64549	-5.95659	HCA2	6227	0	0	0	0.09	
-6229	H2B	SLES	1	-37.2125	5.46349	-4.34818	HCA2	6227	0	0	0	0.09	
-6230	C1	SLES	1	-35.3234	4.52225	-4.97237	CC32A	6227	6231	6232	6233	-0.01	
-6231	H1B	SLES	1	-34.9908	4.06231	-5.92834	HCA2	6230	0	0	0	0.09	
-6232	H1A	SLES	1	-34.9236	5.55457	-4.91698	HCA2	6230	0	0	0	0.09	
-6233	O1	SLES	1	-34.5149	3.75159	-4.02627	OC30A	6230	6234	0	0	-0.34	
-6234	C1	SLES	1	-33.1768	4.30723	-3.75267	CTL2	6233	6235	6236	6237	-0.18	
-6235	H11	SLES	1	-33.0019	5.11323	-4.48817	HAL2	6234	0	0	0	0.09	
-6236	H12	SLES	1	-33.3319	4.7647	-2.75369	HAL2	6234	0	0	0	0.09	
-6237	C2	SLES	1	-31.9241	3.34529	-3.7125	CTL2	6234	6238	6239	6240	-0.18	
-6238	H21	SLES	1	-32.2524	2.30909	-3.95197	HAL2	6237	0	0	0	0.09	
-6239	H22	SLES	1	-31.5038	3.34198	-2.68297	HAL2	6237	0	0	0	0.09	
-6240	C3	SLES	1	-30.7779	3.78437	-4.74782	CTL2	6237	6241	6242	6243	-0.18	
-6241	H31	SLES	1	-30.8056	3.10355	-5.62759	HAL2	6240	0	0	0	0.09	
-6242	H32	SLES	1	-30.989	4.81161	-5.10622	HAL2	6240	0	0	0	0.09	
-6243	C4	SLES	1	-29.3249	3.74854	-4.11568	CTL2	6240	6244	6245	6246	-0.18	
-6244	H41	SLES	1	-28.8048	2.83081	-4.46133	HAL2	6243	0	0	0	0.09	
-6245	H42	SLES	1	-29.4096	3.69766	-3.00877	HAL2	6243	0	0	0	0.09	
-6246	C5	SLES	1	-28.4515	5.02378	-4.51044	CTL2	6243	6247	6248	6249	-0.18	
-6247	H51	SLES	1	-28.9065	5.51452	-5.39904	HAL2	6246	0	0	0	0.09	
-6248	H52	SLES	1	-28.4731	5.75285	-3.66845	HAL2	6246	0	0	0	0.09	
-6249	C6	SLES	1	-26.9534	4.66407	-4.83825	CTL2	6246	6250	6251	6252	-0.18	
-6250	H61	SLES	1	-26.9127	4.13744	-5.81809	HAL2	6249	0	0	0	0.09	
-6251	H62	SLES	1	-26.3665	5.60765	-4.93136	HAL2	6249	0	0	0	0.09	
-6252	C7	SLES	1	-26.2948	3.76157	-3.74732	CTL2	6249	6253	6254	6255	-0.18	
-6253	H71	SLES	1	-26.5959	2.70466	-3.92069	HAL2	6252	0	0	0	0.09	
-6254	H72	SLES	1	-26.6726	4.06656	-2.74603	HAL2	6252	0	0	0	0.09	
-6255	C8	SLES	1	-24.7484	3.85149	-3.75224	CTL2	6252	6256	6257	6258	-0.18	
-6256	H81	SLES	1	-24.3822	3.76972	-4.80133	HAL2	6255	0	0	0	0.09	
-6257	H82	SLES	1	-24.4405	4.8462	-3.35681	HAL2	6255	0	0	0	0.09	
-6258	C9	SLES	1	-24.0883	2.74048	-2.89769	CTL2	6255	6259	6260	6261	-0.18	
-6259	H91	SLES	1	-24.4202	1.74663	-3.27516	HAL2	6258	0	0	0	0.09	
-6260	H92	SLES	1	-24.4332	2.84018	-1.84383	HAL2	6258	0	0	0	0.09	
-6261	C10	SLES	1	-22.5428	2.80197	-2.93086	CTL2	6258	6262	6263	6264	-0.18	
-6262	H10	SLES	1	-22.1965	2.67882	-3.98236	HAL2	6261	0	0	0	0.09	
-6263	H10	SLES	1	-22.211	3.80342	-2.57445	HAL2	6261	0	0	0	0.09	
-6264	C11	SLES	1	-21.8855	1.70697	-2.04947	CTL2	6261	6265	6266	6267	-0.18	
-6265	H11	SLES	1	-22.215	0.707215	-2.41419	HAL2	6264	0	0	0	0.09	
-6266	H11	SLES	1	-22.2487	1.82311	-1.0028	HAL2	6264	0	0	0	0.09	
-6267	C12	SLES	1	-20.3355	1.75256	-2.04846	CTL3	6264	6268	6269	6270	-0.27	
-6268	H12	SLES	1	-19.9203	0.79097	-2.42304	HAL3	6267	0	0	0	0.09	
-6269	H12	SLES	1	-19.9546	1.92553	-1.01777	HAL3	6267	0	0	0	0.09	
-6270	H12	SLES	1	-19.972	2.57438	-2.70312	HAL3	6267	0	0	0	0.09	
-6271	NA	SLES	1	-43.2289	-7.81323	-4.72212	NA	0	0	0	0	1	
-6272	S	SLES	1	-42.2105	-4.5114	-5.91012	SL	6273	6274	6275	6276	1.33	
-6273	OS1	SLES	1	-41.1836	-5.60983	-5.1711	OSL	6272	6277	0	0	-0.28	
-6274	OS2	SLES	1	-42.7574	-5.18142	-7.07178	O2L	6272	0	0	0	-0.65	
-6275	OS3	SLES	1	-43.2654	-4.24111	-4.95573	O2L	6272	0	0	0	-0.65	
-6276	OS4	SLES	1	-41.5744	-3.26652	-6.31014	O2L	6272	0	0	0	-0.65	
-6277	C2	SLES	1	-39.7726	-5.13965	-5.26274	CC32A	6273	6278	6279	6280	-0.11	
-6278	H2A	SLES	1	-39.4869	-4.94746	-6.33447	HCA2	6277	0	0	0	0.09	
-6279	H2B	SLES	1	-39.6775	-4.18013	-4.68263	HCA2	6277	0	0	0	0.09	
-6280	C1	SLES	1	-38.8025	-6.24936	-4.63569	CC32A	6277	6281	6282	6283	-0.01	
-6281	H1B	SLES	1	-38.959	-7.22476	-5.15134	HCA2	6280	0	0	0	0.09	
-6282	H1A	SLES	1	-39.0235	-6.37722	-3.55036	HCA2	6280	0	0	0	0.09	
-6283	O1	SLES	1	-37.3385	-6.07204	-4.69259	OC30A	6280	6284	0	0	-0.34	
-6284	C2	SLES	1	-36.8597	-4.73451	-4.94635	CC32A	6283	6285	6286	6287	-0.01	
-6285	H2A	SLES	1	-37.2986	-4.52295	-5.94109	HCA2	6284	0	0	0	0.09	
-6286	H2B	SLES	1	-37.4024	-4.13625	-4.18027	HCA2	6284	0	0	0	0.09	
-6287	C1	SLES	1	-35.3499	-4.33717	-4.94895	CC32A	6284	6288	6289	6290	-0.01	
-6288	H1B	SLES	1	-34.9369	-4.43952	-5.97606	HCA2	6287	0	0	0	0.09	
-6289	H1A	SLES	1	-35.2491	-3.28064	-4.62931	HCA2	6287	0	0	0	0.09	
-6290	O1	SLES	1	-34.3274	-5.06123	-4.19195	OC30A	6287	6291	0	0	-0.34	
-6291	C1	SLES	1	-33.1861	-4.24198	-3.74441	CTL2	6290	6292	6293	6294	-0.18	
-6292	H11	SLES	1	-33.2665	-3.2649	-4.25434	HAL2	6291	0	0	0	0.09	
-6293	H12	SLES	1	-33.4265	-4.1034	-2.67003	HAL2	6291	0	0	0	0.09	
-6294	C2	SLES	1	-31.7159	-4.80006	-3.89654	CTL2	6291	6295	6296	6297	-0.18	
-6295	H21	SLES	1	-31.7534	-5.7955	-4.39303	HAL2	6294	0	0	0	0.09	
-6296	H22	SLES	1	-31.2754	-4.93839	-2.88493	HAL2	6294	0	0	0	0.09	
-6297	C3	SLES	1	-30.7724	-3.82263	-4.75266	CTL2	6294	6298	6299	6300	-0.18	
-6298	H31	SLES	1	-30.6418	-4.24841	-5.77243	HAL2	6297	0	0	0	0.09	
-6299	H32	SLES	1	-31.2713	-2.83851	-4.85661	HAL2	6297	0	0	0	0.09	
-6300	C4	SLES	1	-29.3448	-3.60898	-4.09803	CTL2	6297	6301	6302	6303	-0.18	
-6301	H41	SLES	1	-28.604	-4.23411	-4.63886	HAL2	6300	0	0	0	0.09	
-6302	H42	SLES	1	-29.3735	-3.94988	-3.04067	HAL2	6300	0	0	0	0.09	
-6303	C5	SLES	1	-28.872	-2.08598	-4.13878	CTL2	6300	6304	6305	6306	-0.18	
-6304	H51	SLES	1	-29.4755	-1.53853	-4.89605	HAL2	6303	0	0	0	0.09	
-6305	H52	SLES	1	-29.0646	-1.61973	-3.14558	HAL2	6303	0	0	0	0.09	
-6306	C6	SLES	1	-27.3451	-1.92662	-4.49195	CTL2	6303	6307	6308	6309	-0.18	
-6307	H61	SLES	1	-27.1949	-2.16576	-5.56866	HAL2	6306	0	0	0	0.09	
-6308	H62	SLES	1	-27.0453	-0.864663	-4.33134	HAL2	6306	0	0	0	0.09	
-6309	C7	SLES	1	-26.4253	-2.85002	-3.63201	CTL2	6306	6310	6311	6312	-0.18	
-6310	H71	SLES	1	-26.4286	-3.87334	-4.06854	HAL2	6309	0	0	0	0.09	
-6311	H72	SLES	1	-26.8374	-2.91526	-2.60038	HAL2	6309	0	0	0	0.09	
-6312	C8	SLES	1	-24.965	-2.33817	-3.5608	CTL2	6309	6313	6314	6315	-0.18	
-6313	H81	SLES	1	-24.6273	-2.05696	-4.58466	HAL2	6312	0	0	0	0.09	
-6314	H82	SLES	1	-24.9301	-1.42499	-2.924	HAL2	6312	0	0	0	0.09	
-6315	C9	SLES	1	-23.9943	-3.39729	-2.98078	CTL2	6312	6316	6317	6318	-0.18	
-6316	H91	SLES	1	-24.0518	-4.32066	-3.60079	HAL2	6315	0	0	0	0.09	
-6317	H92	SLES	1	-24.3163	-3.6571	-1.94718	HAL2	6315	0	0	0	0.09	
-6318	C10	SLES	1	-22.5281	-2.90523	-2.94392	CTL2	6315	6319	6320	6321	-0.18	
-6319	H10	SLES	1	-22.1981	-2.66737	-3.98091	HAL2	6318	0	0	0	0.09	
-6320	H10	SLES	1	-22.4735	-1.96965	-2.34246	HAL2	6318	0	0	0	0.09	
-6321	C11	SLES	1	-21.5635	-3.95676	-2.33408	CTL2	6318	6322	6323	6324	-0.18	
-6322	H11	SLES	1	-21.6167	-4.8881	-2.94311	HAL2	6321	0	0	0	0.09	
-6323	H11	SLES	1	-21.9079	-4.20461	-1.30408	HAL2	6321	0	0	0	0.09	
-6324	C12	SLES	1	-20.0874	-3.48659	-2.26783	CTL3	6321	6325	6326	6327	-0.27	
-6325	H12	SLES	1	-19.4361	-4.17438	-2.85107	HAL3	6324	0	0	0	0.09	
-6326	H12	SLES	1	-19.7332	-3.4722	-1.21343	HAL3	6324	0	0	0	0.09	
-6327	H12	SLES	1	-19.988	-2.46242	-2.68895	HAL3	6324	0	0	0	0.09	
-6328	NA	SLES	1	-39.7847	-18.4621	-5.33002	NA	0	0	0	0	1	
-6329	S	SLES	1	-39.8081	-14.8271	-5.69932	SL	6330	6331	6332	6333	1.33	
-6330	OS1	SLES	1	-38.4586	-15.7274	-5.27997	OSL	6329	6334	0	0	-0.28	
-6331	OS2	SLES	1	-40.2621	-15.3418	-6.97466	O2L	6329	0	0	0	-0.65	
-6332	OS3	SLES	1	-40.8016	-15.0918	-4.67981	O2L	6329	0	0	0	-0.65	
-6333	OS4	SLES	1	-39.5707	-13.396	-5.79893	O2L	6329	0	0	0	-0.65	
-6334	C2	SLES	1	-37.2411	-14.8684	-5.29144	CC32A	6330	6335	6336	6337	-0.11	
-6335	H2A	SLES	1	-37.1202	-14.3642	-6.29064	HCA2	6334	0	0	0	0.09	
-6336	H2B	SLES	1	-37.353	-14.0797	-4.4966	HCA2	6334	0	0	0	0.09	
-6337	C1	SLES	1	-35.9537	-15.7698	-4.98184	CC32A	6334	6338	6339	6340	-0.01	
-6338	H1B	SLES	1	-35.8904	-16.6053	-5.71646	HCA2	6337	0	0	0	0.09	
-6339	H1A	SLES	1	-36.0286	-16.1987	-3.95543	HCA2	6337	0	0	0	0.09	
-6340	O1	SLES	1	-34.6034	-15.1764	-5.03286	OC30A	6337	6341	0	0	-0.34	
-6341	C2	SLES	1	-34.5279	-13.737	-4.96378	CC32A	6340	6342	6343	6344	-0.01	
-6342	H2A	SLES	1	-35.0995	-13.4378	-5.86415	HCA2	6341	0	0	0	0.09	
-6343	H2B	SLES	1	-35.1365	-13.5081	-4.06013	HCA2	6341	0	0	0	0.09	
-6344	C1	SLES	1	-33.1877	-12.9381	-4.90947	CC32A	6341	6345	6346	6347	-0.01	
-6345	H1B	SLES	1	-32.8614	-12.6823	-5.94104	HCA2	6344	0	0	0	0.09	
-6346	H1A	SLES	1	-33.3447	-11.9981	-4.34343	HCA2	6344	0	0	0	0.09	
-6347	O1	SLES	1	-31.9414	-13.495	-4.38081	OC30A	6344	6348	0	0	-0.34	
-6348	C1	SLES	1	-31.0253	-12.5101	-3.77693	CTL2	6347	6349	6350	6351	-0.18	
-6349	H11	SLES	1	-31.413	-11.5066	-4.02944	HAL2	6348	0	0	0	0.09	
-6350	H12	SLES	1	-31.1913	-12.6939	-2.6953	HAL2	6348	0	0	0	0.09	
-6351	C2	SLES	1	-29.4804	-12.5783	-4.10067	CTL2	6348	6352	6353	6354	-0.18	
-6352	H21	SLES	1	-29.2958	-13.4032	-4.82483	HAL2	6351	0	0	0	0.09	
-6353	H22	SLES	1	-28.9252	-12.8127	-3.16604	HAL2	6351	0	0	0	0.09	
-6354	C3	SLES	1	-28.9196	-11.2053	-4.7161	CTL2	6351	6355	6356	6357	-0.18	
-6355	H31	SLES	1	-28.7763	-11.3326	-5.81226	HAL2	6354	0	0	0	0.09	
-6356	H32	SLES	1	-29.6721	-10.4064	-4.5622	HAL2	6354	0	0	0	0.09	
-6357	C4	SLES	1	-27.5466	-10.7505	-4.06767	CTL2	6354	6358	6359	6360	-0.18	
-6358	H41	SLES	1	-26.7196	-10.9996	-4.76495	HAL2	6357	0	0	0	0.09	
-6359	H42	SLES	1	-27.3825	-11.317	-3.12577	HAL2	6357	0	0	0	0.09	
-6360	C5	SLES	1	-27.5065	-9.18847	-3.74654	CTL2	6357	6361	6362	6363	-0.18	
-6361	H51	SLES	1	-28.3038	-8.67722	-4.33001	HAL2	6360	0	0	0	0.09	
-6362	H52	SLES	1	-27.7225	-9.03498	-2.66454	HAL2	6360	0	0	0	0.09	
-6363	C6	SLES	1	-26.1191	-8.52659	-4.09076	CTL2	6360	6364	6365	6366	-0.18	
-6364	H61	SLES	1	-26.0126	-8.46151	-5.19688	HAL2	6363	0	0	0	0.09	
-6365	H62	SLES	1	-26.1019	-7.48891	-3.68285	HAL2	6363	0	0	0	0.09	
-6366	C7	SLES	1	-24.908	-9.32173	-3.50845	CTL2	6363	6367	6368	6369	-0.18	
-6367	H71	SLES	1	-24.6774	-10.1765	-4.18225	HAL2	6366	0	0	0	0.09	
-6368	H72	SLES	1	-25.1879	-9.73433	-2.5136	HAL2	6366	0	0	0	0.09	
-6369	C8	SLES	1	-23.639	-8.44702	-3.3532	CTL2	6366	6370	6371	6372	-0.18	
-6370	H81	SLES	1	-23.4876	-7.85611	-4.28558	HAL2	6369	0	0	0	0.09	
-6371	H82	SLES	1	-23.7907	-7.73153	-2.51317	HAL2	6369	0	0	0	0.09	
-6372	C9	SLES	1	-22.3691	-9.29041	-3.0768	CTL2	6369	6373	6374	6375	-0.18	
-6373	H91	SLES	1	-22.2346	-10.0256	-3.90247	HAL2	6372	0	0	0	0.09	
-6374	H92	SLES	1	-22.5102	-9.85914	-2.13015	HAL2	6372	0	0	0	0.09	
-6375	C10	SLES	1	-21.0923	-8.42462	-2.95986	CTL2	6372	6376	6377	6378	-0.18	
-6376	H10	SLES	1	-20.938	-7.87332	-3.91538	HAL2	6375	0	0	0	0.09	
-6377	H10	SLES	1	-21.2345	-7.67463	-2.1491	HAL2	6375	0	0	0	0.09	
-6378	C11	SLES	1	-19.8275	-9.26949	-2.65253	CTL2	6375	6379	6380	6381	-0.18	
-6379	H11	SLES	1	-19.6858	-10.0134	-3.46961	HAL2	6378	0	0	0	0.09	
-6380	H11	SLES	1	-19.9936	-9.83261	-1.70583	HAL2	6378	0	0	0	0.09	
-6381	C12	SLES	1	-18.5326	-8.42797	-2.51273	CTL3	6378	6382	6383	6384	-0.27	
-6382	H12	SLES	1	-17.7786	-8.75113	-3.26405	HAL3	6381	0	0	0	0.09	
-6383	H12	SLES	1	-18.0973	-8.55429	-1.49688	HAL3	6381	0	0	0	0.09	
-6384	H12	SLES	1	-18.7524	-7.34987	-2.67247	HAL3	6381	0	0	0	0.09	
-6385	NA	SLES	1	-33.8594	-27.7497	-5.96477	NA	0	0	0	0	1	
-6386	S	SLES	1	-34.8929	-24.2785	-5.48186	SL	6387	6388	6389	6390	1.33	
-6387	OS1	SLES	1	-33.3074	-24.8143	-5.40058	OSL	6386	6391	0	0	-0.28	
-6388	OS2	SLES	1	-35.3793	-24.6406	-6.79708	O2L	6386	0	0	0	-0.65	
-6389	OS3	SLES	1	-35.6193	-25.0148	-4.4685	O2L	6386	0	0	0	-0.65	
-6390	OS4	SLES	1	-35.0578	-22.8496	-5.26882	O2L	6386	0	0	0	-0.65	
-6391	C2	SLES	1	-32.3745	-23.6552	-5.31939	CC32A	6387	6392	6393	6394	-0.11	
-6392	H2A	SLES	1	-32.5399	-22.9511	-6.18192	HCA2	6391	0	0	0	0.09	
-6393	H2B	SLES	1	-32.5707	-23.1054	-4.35739	HCA2	6391	0	0	0	0.09	
-6394	C1	SLES	1	-30.8641	-24.1883	-5.33933	CC32A	6391	6395	6396	6397	-0.01	
-6395	H1B	SLES	1	-30.6927	-24.8079	-6.24956	HCA2	6394	0	0	0	0.09	
-6396	H1A	SLES	1	-30.6705	-24.8141	-4.43708	HCA2	6394	0	0	0	0.09	
-6397	O1	SLES	1	-29.7405	-23.232	-5.36932	OC30A	6394	6398	0	0	-0.34	
-6398	C2	SLES	1	-30.037	-21.8753	-4.97679	CC32A	6397	6399	6400	6401	-0.01	
-6399	H2A	SLES	1	-30.7941	-21.5829	-5.73061	HCA2	6398	0	0	0	0.09	
-6400	H2B	SLES	1	-30.5435	-22.015	-3.99529	HCA2	6398	0	0	0	0.09	
-6401	C1	SLES	1	-28.9616	-20.75	-4.8564	CC32A	6398	6402	6403	6404	-0.01	
-6402	H1B	SLES	1	-28.8706	-20.2128	-5.82549	HCA2	6401	0	0	0	0.09	
-6403	H1A	SLES	1	-29.2747	-20.0265	-4.07728	HCA2	6401	0	0	0	0.09	
-6404	O1	SLES	1	-27.5486	-21.0155	-4.58097	OC30A	6401	6405	0	0	-0.34	
-6405	C1	SLES	1	-26.8448	-19.947	-3.84818	CTL2	6404	6406	6407	6408	-0.18	
-6406	H11	SLES	1	-27.516	-19.0693	-3.82761	HAL2	6405	0	0	0	0.09	
-6407	H12	SLES	1	-26.7945	-20.3803	-2.82791	HAL2	6405	0	0	0	0.09	
-6408	C2	SLES	1	-25.4021	-19.5003	-4.31205	CTL2	6405	6409	6410	6411	-0.18	
-6409	H21	SLES	1	-25.1164	-20.0769	-5.22023	HAL2	6408	0	0	0	0.09	
-6410	H22	SLES	1	-24.6727	-19.7435	-3.50864	HAL2	6408	0	0	0	0.09	
-6411	C3	SLES	1	-25.32	-17.9306	-4.64045	CTL2	6408	6412	6413	6414	-0.18	
-6412	H31	SLES	1	-25.3124	-17.7924	-5.74459	HAL2	6411	0	0	0	0.09	
-6413	H32	SLES	1	-26.2247	-17.4302	-4.2415	HAL2	6411	0	0	0	0.09	
-6414	C4	SLES	1	-24.0347	-17.2354	-4.02653	CTL2	6411	6415	6416	6417	-0.18	
-6415	H41	SLES	1	-23.2841	-17.0921	-4.83167	HAL2	6414	0	0	0	0.09	
-6416	H42	SLES	1	-23.5896	-17.9042	-3.25869	HAL2	6414	0	0	0	0.09	
-6417	C5	SLES	1	-24.3598	-15.8238	-3.35837	CTL2	6414	6418	6419	6420	-0.18	
-6418	H51	SLES	1	-25.3409	-15.4604	-3.7365	HAL2	6417	0	0	0	0.09	
-6419	H52	SLES	1	-24.4458	-15.9557	-2.25558	HAL2	6417	0	0	0	0.09	
-6420	C6	SLES	1	-23.2624	-14.7347	-3.65991	CTL2	6417	6421	6422	6423	-0.18	
-6421	H61	SLES	1	-23.342	-14.4249	-4.72612	HAL2	6420	0	0	0	0.09	
-6422	H62	SLES	1	-23.4585	-13.838	-3.02666	HAL2	6420	0	0	0	0.09	
-6423	C7	SLES	1	-21.8123	-15.244	-3.38441	CTL2	6420	6424	6425	6426	-0.18	
-6424	H71	SLES	1	-21.4675	-15.8453	-4.25469	HAL2	6423	0	0	0	0.09	
-6425	H72	SLES	1	-21.8231	-15.9076	-2.49113	HAL2	6423	0	0	0	0.09	
-6426	C8	SLES	1	-20.8097	-14.0883	-3.14251	CTL2	6423	6427	6428	6429	-0.18	
-6427	H81	SLES	1	-20.9591	-13.3072	-3.92291	HAL2	6426	0	0	0	0.09	
-6428	H82	SLES	1	-21.0181	-13.6275	-2.15012	HAL2	6426	0	0	0	0.09	
-6429	C9	SLES	1	-19.3362	-14.5655	-3.17971	CTL2	6426	6430	6431	6432	-0.18	
-6430	H91	SLES	1	-19.137	-15.0527	-4.16122	HAL2	6429	0	0	0	0.09	
-6431	H92	SLES	1	-19.1808	-15.3257	-2.38125	HAL2	6429	0	0	0	0.09	
-6432	C10	SLES	1	-18.3295	-13.4083	-2.97766	CTL2	6429	6433	6434	6435	-0.18	
-6433	H10	SLES	1	-18.4691	-12.6589	-3.78989	HAL2	6432	0	0	0	0.09	
-6434	H10	SLES	1	-18.5422	-12.9067	-2.00652	HAL2	6432	0	0	0	0.09	
-6435	C11	SLES	1	-16.8559	-13.8946	-2.98479	CTL2	6432	6436	6437	6438	-0.18	
-6436	H11	SLES	1	-16.6462	-14.3894	-3.96062	HAL2	6435	0	0	0	0.09	
-6437	H11	SLES	1	-16.7258	-14.6567	-2.18282	HAL2	6435	0	0	0	0.09	
-6438	C12	SLES	1	-15.8221	-12.7593	-2.76778	CTL3	6435	6439	6440	6441	-0.27	
-6439	H12	SLES	1	-15.1297	-12.6959	-3.63605	HAL3	6438	0	0	0	0.09	
-6440	H12	SLES	1	-15.2234	-12.952	-1.85031	HAL3	6438	0	0	0	0.09	
-6441	H12	SLES	1	-16.339	-11.7815	-2.65469	HAL3	6438	0	0	0	0.09	
-6442	NA	SLES	1	-25.9441	-35.1511	-6.58648	NA	0	0	0	0	1	
-6443	S	SLES	1	-27.734	-32.2498	-5.2714	SL	6444	6445	6446	6447	1.33	
-6444	OS1	SLES	1	-26.0787	-32.3058	-5.52533	OSL	6443	6448	0	0	-0.28	
-6445	OS2	SLES	1	-28.353	-32.5309	-6.55019	O2L	6443	0	0	0	-0.65	
-6446	OS3	SLES	1	-28.034	-33.3128	-4.33507	O2L	6443	0	0	0	-0.65	
-6447	OS4	SLES	1	-28.2216	-30.9817	-4.75313	O2L	6443	0	0	0	-0.65	
-6448	C2	SLES	1	-25.4828	-30.9521	-5.34482	CC32A	6444	6449	6450	6451	-0.11	
-6449	H2A	SLES	1	-25.989	-30.2027	-6.01514	HCA2	6448	0	0	0	0.09	
-6450	H2B	SLES	1	-25.6266	-30.6385	-4.27375	HCA2	6448	0	0	0	0.09	
-6451	C1	SLES	1	-23.9188	-31.0119	-5.68568	CC32A	6448	6452	6453	6454	-0.01	
-6452	H1B	SLES	1	-23.7704	-31.4067	-6.71715	HCA2	6451	0	0	0	0.09	
-6453	H1A	SLES	1	-23.3987	-31.6853	-4.96504	HCA2	6451	0	0	0	0.09	
-6454	O1	SLES	1	-23.111	-29.7769	-5.68083	OC30A	6451	6455	0	0	-0.34	
-6455	C2	SLES	1	-23.6697	-28.643	-4.98457	CC32A	6454	6456	6457	6458	-0.01	
-6456	H2A	SLES	1	-24.6073	-28.4716	-5.54885	HCA2	6455	0	0	0	0.09	
-6457	H2B	SLES	1	-23.9234	-29.0737	-3.98984	HCA2	6455	0	0	0	0.09	
-6458	C1	SLES	1	-22.9225	-27.2857	-4.79307	CC32A	6455	6459	6460	6461	-0.01	
-6459	H1B	SLES	1	-23.1632	-26.6027	-5.63667	HCA2	6458	0	0	0	0.09	
-6460	H1A	SLES	1	-23.2573	-26.8138	-3.84761	HCA2	6458	0	0	0	0.09	
-6461	O1	SLES	1	-21.4636	-27.1667	-4.77986	OC30A	6458	6462	0	0	-0.34	
-6462	C1	SLES	1	-20.9353	-26.0656	-3.95369	CTL2	6461	6463	6464	6465	-0.18	
-6463	H11	SLES	1	-21.7951	-25.4359	-3.66152	HAL2	6462	0	0	0	0.09	
-6464	H12	SLES	1	-20.5782	-26.6172	-3.05953	HAL2	6462	0	0	0	0.09	
-6465	C2	SLES	1	-19.7762	-25.1518	-4.51742	CTL2	6462	6466	6467	6468	-0.18	
-6466	H21	SLES	1	-19.5305	-25.473	-5.55439	HAL2	6465	0	0	0	0.09	
-6467	H22	SLES	1	-18.8681	-25.2925	-3.89121	HAL2	6465	0	0	0	0.09	
-6468	C3	SLES	1	-20.1711	-23.5954	-4.53044	CTL2	6465	6469	6470	6471	-0.18	
-6469	H31	SLES	1	-20.4126	-23.2927	-5.57366	HAL2	6468	0	0	0	0.09	
-6470	H32	SLES	1	-21.0807	-23.4483	-3.91464	HAL2	6468	0	0	0	0.09	
-6471	C4	SLES	1	-19.0183	-22.6589	-3.97717	CTL2	6468	6472	6473	6474	-0.18	
-6472	H41	SLES	1	-18.5007	-22.1807	-4.83483	HAL2	6471	0	0	0	0.09	
-6473	H42	SLES	1	-18.2749	-23.2788	-3.43111	HAL2	6471	0	0	0	0.09	
-6474	C5	SLES	1	-19.5653	-21.5239	-2.99864	CTL2	6471	6475	6476	6477	-0.18	
-6475	H51	SLES	1	-20.6609	-21.4087	-3.1528	HAL2	6474	0	0	0	0.09	
-6476	H52	SLES	1	-19.3998	-21.8434	-1.94437	HAL2	6474	0	0	0	0.09	
-6477	C6	SLES	1	-18.8692	-20.1293	-3.22646	CTL2	6474	6478	6479	6480	-0.18	
-6478	H61	SLES	1	-19.2305	-19.6959	-4.18595	HAL2	6477	0	0	0	0.09	
-6479	H62	SLES	1	-19.1665	-19.4376	-2.40399	HAL2	6477	0	0	0	0.09	
-6480	C7	SLES	1	-17.3114	-20.2298	-3.26768	CTL2	6477	6481	6482	6483	-0.18	
-6481	H71	SLES	1	-16.9961	-20.5629	-4.28129	HAL2	6480	0	0	0	0.09	
-6482	H72	SLES	1	-16.9767	-20.997	-2.5344	HAL2	6480	0	0	0	0.09	
-6483	C8	SLES	1	-16.6178	-18.8836	-2.94195	CTL2	6480	6484	6485	6486	-0.18	
-6484	H81	SLES	1	-17.113	-18.0696	-3.51942	HAL2	6483	0	0	0	0.09	
-6485	H82	SLES	1	-16.744	-18.6623	-1.85766	HAL2	6483	0	0	0	0.09	
-6486	C9	SLES	1	-15.1065	-18.8989	-3.28304	CTL2	6483	6487	6488	6489	-0.18	
-6487	H91	SLES	1	-14.9801	-19.1495	-4.36079	HAL2	6486	0	0	0	0.09	
-6488	H92	SLES	1	-14.6075	-19.6942	-2.68471	HAL2	6486	0	0	0	0.09	
-6489	C10	SLES	1	-14.4171	-17.544	-2.99622	CTL2	6486	6490	6491	6492	-0.18	
-6490	H10	SLES	1	-14.9009	-16.7521	-3.61233	HAL2	6489	0	0	0	0.09	
-6491	H10	SLES	1	-14.5621	-17.282	-1.92367	HAL2	6489	0	0	0	0.09	
-6492	C11	SLES	1	-12.8976	-17.5723	-3.31	CTL2	6489	6493	6494	6495	-0.18	
-6493	H11	SLES	1	-12.7581	-17.828	-4.38529	HAL2	6492	0	0	0	0.09	
-6494	H11	SLES	1	-12.4214	-18.3774	-2.70506	HAL2	6492	0	0	0	0.09	
-6495	C12	SLES	1	-12.1739	-16.2326	-3.01694	CTL3	6492	6496	6497	6498	-0.27	
-6496	H12	SLES	1	-11.7026	-15.8371	-3.94367	HAL3	6495	0	0	0	0.09	
-6497	H12	SLES	1	-11.3806	-16.3812	-2.2515	HAL3	6495	0	0	0	0.09	
-6498	H12	SLES	1	-12.896	-15.4775	-2.63675	HAL3	6495	0	0	0	0.09	
-6499	NA	SLES	1	-16.6123	-40.3101	-7.15609	NA	0	0	0	0	1	
-6500	S	SLES	1	-18.757	-38.2017	-5.08116	SL	6501	6502	6503	6504	1.33	
-6501	OS1	SLES	1	-17.246	-37.749	-5.6464	OSL	6500	6505	0	0	-0.28	
-6502	OS2	SLES	1	-19.5517	-38.5192	-6.24951	O2L	6500	0	0	0	-0.65	
-6503	OS3	SLES	1	-18.5493	-39.3951	-4.28791	O2L	6500	0	0	0	-0.65	
-6504	OS4	SLES	1	-19.4305	-37.1889	-4.28425	O2L	6500	0	0	0	-0.65	
-6505	C2	SLES	1	-17.001	-36.3062	-5.36615	CC32A	6501	6506	6507	6508	-0.11	
-6506	H2A	SLES	1	-17.8233	-35.6721	-5.80077	HCA2	6505	0	0	0	0.09	
-6507	H2B	SLES	1	-16.9774	-36.158	-4.25092	HCA2	6505	0	0	0	0.09	
-6508	C1	SLES	1	-15.5943	-35.8748	-5.99914	CC32A	6505	6509	6510	6511	-0.01	
-6509	H1B	SLES	1	-15.5834	-36.103	-7.08984	HCA2	6508	0	0	0	0.09	
-6510	H1A	SLES	1	-14.7676	-36.4377	-5.50614	HCA2	6508	0	0	0	0.09	
-6511	O1	SLES	1	-15.1589	-34.4657	-5.94782	OC30A	6508	6512	0	0	-0.34	
-6512	C2	SLES	1	-15.824	-33.6193	-4.98661	CC32A	6511	6513	6514	6515	-0.01	
-6513	H2A	SLES	1	-16.8757	-33.671	-5.3303	HCA2	6512	0	0	0	0.09	
-6514	H2B	SLES	1	-15.7255	-34.2035	-4.04411	HCA2	6512	0	0	0	0.09	
-6515	C1	SLES	1	-15.4356	-32.1302	-4.72347	CC32A	6512	6516	6517	6518	-0.01	
-6516	H1B	SLES	1	-16.0302	-31.4647	-5.38644	HCA2	6515	0	0	0	0.09	
-6517	H1A	SLES	1	-15.6609	-31.8742	-3.66883	HCA2	6515	0	0	0	0.09	
-6518	O1	SLES	1	-14.0946	-31.5951	-4.96499	OC30A	6515	6519	0	0	-0.34	
-6519	C1	SLES	1	-13.7018	-30.4777	-4.08682	CTL2	6518	6520	6521	6522	-0.18	
-6520	H11	SLES	1	-14.6081	-30.1575	-3.54161	HAL2	6519	0	0	0	0.09	
-6521	H12	SLES	1	-13.0211	-30.9896	-3.3756	HAL2	6519	0	0	0	0.09	
-6522	C2	SLES	1	-12.9804	-29.2148	-4.70386	CTL2	6519	6523	6524	6525	-0.18	
-6523	H21	SLES	1	-12.8988	-29.344	-5.80632	HAL2	6522	0	0	0	0.09	
-6524	H22	SLES	1	-11.9505	-29.1486	-4.2897	HAL2	6522	0	0	0	0.09	
-6525	C3	SLES	1	-13.762	-27.8469	-4.393	CTL2	6522	6526	6527	6528	-0.18	
-6526	H31	SLES	1	-14.3025	-27.5232	-5.31023	HAL2	6525	0	0	0	0.09	
-6527	H32	SLES	1	-14.5157	-28.0332	-3.60218	HAL2	6525	0	0	0	0.09	
-6528	C4	SLES	1	-12.8013	-26.6773	-3.92271	CTL2	6525	6529	6530	6531	-0.18	
-6529	H41	SLES	1	-12.6337	-25.9852	-4.77424	HAL2	6528	0	0	0	0.09	
-6530	H42	SLES	1	-11.8184	-27.1069	-3.63217	HAL2	6528	0	0	0	0.09	
-6531	C5	SLES	1	-13.3922	-25.8551	-2.68998	CTL2	6528	6532	6533	6534	-0.18	
-6532	H51	SLES	1	-14.4852	-26.0477	-2.61559	HAL2	6531	0	0	0	0.09	
-6533	H52	SLES	1	-12.9161	-26.2179	-1.75047	HAL2	6531	0	0	0	0.09	
-6534	C6	SLES	1	-13.1557	-24.3029	-2.81765	CTL2	6531	6535	6536	6537	-0.18	
-6535	H61	SLES	1	-13.8242	-23.8981	-3.61031	HAL2	6534	0	0	0	0.09	
-6536	H62	SLES	1	-13.4313	-23.8142	-1.85396	HAL2	6534	0	0	0	0.09	
-6537	C7	SLES	1	-11.6768	-23.9425	-3.16561	CTL2	6534	6538	6539	6540	-0.18	
-6538	H71	SLES	1	-11.5214	-24.0652	-4.26039	HAL2	6537	0	0	0	0.09	
-6539	H72	SLES	1	-10.9966	-24.6497	-2.64067	HAL2	6537	0	0	0	0.09	
-6540	C8	SLES	1	-11.3055	-22.4931	-2.76413	CTL2	6537	6541	6542	6543	-0.18	
-6541	H81	SLES	1	-12.1136	-21.8037	-3.10047	HAL2	6540	0	0	0	0.09	
-6542	H82	SLES	1	-11.2383	-22.4289	-1.65418	HAL2	6540	0	0	0	0.09	
-6543	C9	SLES	1	-9.96001	-22.0346	-3.38031	CTL2	6540	6544	6545	6546	-0.18	
-6544	H91	SLES	1	-10.0179	-22.1273	-4.48865	HAL2	6543	0	0	0	0.09	
-6545	H92	SLES	1	-9.14867	-22.7073	-3.02145	HAL2	6543	0	0	0	0.09	
-6546	C10	SLES	1	-9.6037	-20.5743	-3.01437	CTL2	6543	6547	6548	6549	-0.18	
-6547	H10	SLES	1	-10.4039	-19.8987	-3.39384	HAL2	6546	0	0	0	0.09	
-6548	H10	SLES	1	-9.56736	-20.4758	-1.90576	HAL2	6546	0	0	0	0.09	
-6549	C11	SLES	1	-8.24089	-20.1286	-3.60771	CTL2	6546	6550	6551	6552	-0.18	
-6550	H11	SLES	1	-8.28465	-20.2225	-4.71694	HAL2	6549	0	0	0	0.09	
-6551	H11	SLES	1	-7.44686	-20.8179	-3.23976	HAL2	6549	0	0	0	0.09	
-6552	C12	SLES	1	-7.84706	-18.6734	-3.24457	CTL3	6549	6553	6554	6555	-0.27	
-6553	H12	SLES	1	-7.71681	-18.0665	-4.16761	HAL3	6552	0	0	0	0.09	
-6554	H12	SLES	1	-6.8915	-18.6623	-2.67525	HAL3	6552	0	0	0	0.09	
-6555	H12	SLES	1	-8.63727	-18.203	-2.61977	HAL3	6552	0	0	0	0.09	
-6556	NA	SLES	1	-6.46422	-43.0344	-7.63781	NA	0	0	0	0	1	
-6557	S	SLES	1	-8.52324	-41.7149	-4.9231	SL	6558	6559	6560	6561	1.33	
-6558	OS1	SLES	1	-7.37243	-40.8266	-5.75616	OSL	6557	6562	0	0	-0.28	
-6559	OS2	SLES	1	-9.46344	-42.1963	-5.91393	O2L	6557	0	0	0	-0.65	
-6560	OS3	SLES	1	-7.81816	-42.8318	-4.32997	O2L	6557	0	0	0	-0.65	
-6561	OS4	SLES	1	-9.22824	-40.9709	-3.89164	O2L	6557	0	0	0	-0.65	
-6562	C2	SLES	1	-7.46125	-39.387	-5.38202	CC32A	6558	6563	6564	6565	-0.11	
-6563	H2A	SLES	1	-8.50303	-38.996	-5.55229	HCA2	6562	0	0	0	0.09	
-6564	H2B	SLES	1	-7.20786	-39.2854	-4.29036	HCA2	6562	0	0	0	0.09	
-6565	C1	SLES	1	-6.41835	-38.546	-6.26001	CC32A	6562	6566	6567	6568	-0.01	
-6566	H1B	SLES	1	-6.61231	-38.7153	-7.34421	HCA2	6565	0	0	0	0.09	
-6567	H1A	SLES	1	-5.3774	-38.87	-6.02637	HCA2	6565	0	0	0	0.09	
-6568	O1	SLES	1	-6.37629	-37.0746	-6.15352	OC30A	6565	6569	0	0	-0.34	
-6569	C2	SLES	1	-6.989	-36.4945	-4.98281	CC32A	6568	6570	6571	6572	-0.01	
-6570	H2A	SLES	1	-8.03943	-36.8295	-5.0887	HCA2	6569	0	0	0	0.09	
-6571	H2B	SLES	1	-6.51212	-37.0656	-4.1547	HCA2	6569	0	0	0	0.09	
-6572	C1	SLES	1	-6.96057	-34.969	-4.65197	CC32A	6569	6573	6574	6575	-0.01	
-6573	H1B	SLES	1	-7.85389	-34.4733	-5.09052	HCA2	6572	0	0	0	0.09	
-6574	H1A	SLES	1	-6.98288	-34.8326	-3.55219	HCA2	6572	0	0	0	0.09	
-6575	O1	SLES	1	-5.91169	-34.0639	-5.12472	OC30A	6572	6576	0	0	-0.34	
-6576	C1	SLES	1	-5.63045	-32.919	-4.2392	CTL2	6575	6577	6578	6579	-0.18	
-6577	H11	SLES	1	-6.42868	-32.8939	-3.47542	HAL2	6576	0	0	0	0.09	
-6578	H12	SLES	1	-4.68609	-33.245	-3.75627	HAL2	6576	0	0	0	0.09	
-6579	C2	SLES	1	-5.44492	-31.4779	-4.85965	CTL2	6576	6580	6581	6582	-0.18	
-6580	H21	SLES	1	-5.60213	-31.5318	-5.96019	HAL2	6579	0	0	0	0.09	
-6581	H22	SLES	1	-4.40155	-31.1383	-4.67908	HAL2	6579	0	0	0	0.09	
-6582	C3	SLES	1	-6.46355	-30.4042	-4.23676	CTL2	6579	6583	6584	6585	-0.18	
-6583	H31	SLES	1	-7.27693	-30.2097	-4.97083	HAL2	6582	0	0	0	0.09	
-6584	H32	SLES	1	-6.92458	-30.8309	-3.32375	HAL2	6582	0	0	0	0.09	
-6585	C4	SLES	1	-5.76578	-29.03	-3.86657	CTL2	6582	6586	6587	6588	-0.18	
-6586	H41	SLES	1	-6.00122	-28.2836	-4.65369	HAL2	6585	0	0	0	0.09	
-6587	H42	SLES	1	-4.66387	-29.1733	-3.84926	HAL2	6585	0	0	0	0.09	
-6588	C5	SLES	1	-6.23691	-28.4633	-2.45176	CTL2	6585	6589	6590	6591	-0.18	
-6589	H51	SLES	1	-7.18674	-28.9627	-2.15863	HAL2	6588	0	0	0	0.09	
-6590	H52	SLES	1	-5.46779	-28.7146	-1.68608	HAL2	6588	0	0	0	0.09	
-6591	C6	SLES	1	-6.46201	-26.9043	-2.45917	CTL2	6588	6592	6593	6594	-0.18	
-6592	H61	SLES	1	-7.38611	-26.6739	-3.03539	HAL2	6591	0	0	0	0.09	
-6593	H62	SLES	1	-6.61536	-26.5556	-1.41114	HAL2	6591	0	0	0	0.09	
-6594	C7	SLES	1	-5.26365	-26.1226	-3.08459	CTL2	6591	6595	6596	6597	-0.18	
-6595	H71	SLES	1	-5.35196	-26.1496	-4.1933	HAL2	6594	0	0	0	0.09	
-6596	H72	SLES	1	-4.31295	-26.6279	-2.80328	HAL2	6594	0	0	0	0.09	
-6597	C8	SLES	1	-5.20697	-24.6459	-2.62021	CTL2	6594	6598	6599	6600	-0.18	
-6598	H81	SLES	1	-6.22638	-24.202	-2.69238	HAL2	6597	0	0	0	0.09	
-6599	H82	SLES	1	-4.89172	-24.612	-1.55246	HAL2	6597	0	0	0	0.09	
-6600	C9	SLES	1	-4.22437	-23.7971	-3.46541	CTL2	6597	6601	6602	6603	-0.18	
-6601	H91	SLES	1	-4.52293	-23.8555	-4.53676	HAL2	6600	0	0	0	0.09	
-6602	H92	SLES	1	-3.20093	-24.2248	-3.37031	HAL2	6600	0	0	0	0.09	
-6603	C10	SLES	1	-4.19321	-22.3126	-3.03095	CTL2	6600	6604	6605	6606	-0.18	
-6604	H10	SLES	1	-5.21209	-21.8779	-3.14816	HAL2	6603	0	0	0	0.09	
-6605	H10	SLES	1	-3.91631	-22.2546	-1.95392	HAL2	6603	0	0	0	0.09	
-6606	C11	SLES	1	-3.18553	-21.472	-3.85923	CTL2	6603	6607	6608	6609	-0.18	
-6607	H11	SLES	1	-3.47075	-21.5276	-4.93472	HAL2	6606	0	0	0	0.09	
-6608	H11	SLES	1	-2.17158	-21.9211	-3.7533	HAL2	6606	0	0	0	0.09	
-6609	C12	SLES	1	-3.11869	-19.9816	-3.43636	CTL3	6606	6610	6611	6612	-0.27	
-6610	H12	SLES	1	-3.38359	-19.3244	-4.29377	HAL3	6609	0	0	0	0.09	
-6611	H12	SLES	1	-2.09226	-19.7224	-3.09493	HAL3	6609	0	0	0	0.09	
-6612	H12	SLES	1	-3.82944	-19.7829	-2.60481	HAL3	6609	0	0	0	0.09	
-6613	NA	SLES	1	3.91357	-43.2752	-8.00137	NA	0	0	0	0	1	
-6614	S	SLES	1	2.30474	-42.5275	-4.80714	SL	6615	6616	6617	6618	1.33	
-6615	OS1	SLES	1	2.9263	-41.3707	-5.84773	OSL	6614	6619	0	0	-0.28	
-6616	OS2	SLES	1	1.31906	-43.2707	-5.56454	O2L	6614	0	0	0	-0.65	
-6617	OS3	SLES	1	3.41237	-43.3926	-4.45863	O2L	6614	0	0	0	-0.65	
-6618	OS4	SLES	1	1.69883	-41.989	-3.59999	O2L	6614	0	0	0	-0.65	
-6619	C2	SLES	1	2.54092	-40.0056	-5.39144	CC32A	6615	6620	6621	6622	-0.11	
-6620	H2A	SLES	1	1.42329	-39.9231	-5.28531	HCA2	6619	0	0	0	0.09	
-6621	H2B	SLES	1	3.01699	-39.8162	-4.38957	HCA2	6619	0	0	0	0.09	
-6622	C1	SLES	1	3.06407	-38.925	-6.45189	CC32A	6619	6623	6624	6625	-0.01	
-6623	H1B	SLES	1	2.66366	-39.1628	-7.46428	HCA2	6622	0	0	0	0.09	
-6624	H1A	SLES	1	4.17815	-38.9422	-6.49305	HCA2	6622	0	0	0	0.09	
-6625	O1	SLES	1	2.72588	-37.4983	-6.285	OC30A	6622	6626	0	0	-0.34	
-6626	C2	SLES	1	2.28492	-37.0886	-4.97338	CC32A	6625	6627	6628	6629	-0.01	
-6627	H2A	SLES	1	1.37415	-37.7045	-4.83921	HCA2	6626	0	0	0	0.09	
-6628	H2B	SLES	1	3.08847	-37.4883	-4.31465	HCA2	6626	0	0	0	0.09	
-6629	C1	SLES	1	1.97437	-35.6093	-4.58306	CC32A	6626	6630	6631	6632	-0.01	
-6630	H1B	SLES	1	0.900099	-35.3902	-4.76751	HCA2	6629	0	0	0	0.09	
-6631	H1A	SLES	1	2.18657	-35.463	-3.50501	HCA2	6629	0	0	0	0.09	
-6632	O1	SLES	1	2.58513	-34.4576	-5.24901	OC30A	6629	6633	0	0	-0.34	
-6633	C1	SLES	1	2.75032	-33.2626	-4.40128	CTL2	6632	6634	6635	6636	-0.18	
-6634	H11	SLES	1	2.18907	-33.4455	-3.4671	HAL2	6633	0	0	0	0.09	
-6635	H12	SLES	1	3.83641	-33.3036	-4.17762	HAL2	6633	0	0	0	0.09	
-6636	C2	SLES	1	2.3751	-31.8391	-4.97502	CTL2	6633	6637	6638	6639	-0.18	
-6637	H21	SLES	1	1.9732	-31.9561	-6.00633	HAL2	6636	0	0	0	0.09	
-6638	H22	SLES	1	3.29639	-31.2193	-5.03488	HAL2	6636	0	0	0	0.09	
-6639	C3	SLES	1	1.28675	-31.0791	-4.07154	CTL2	6636	6640	6641	6642	-0.18	
-6640	H31	SLES	1	0.296742	-31.1328	-4.5768	HAL2	6639	0	0	0	0.09	
-6641	H32	SLES	1	1.19956	-31.5992	-3.09683	HAL2	6639	0	0	0	0.09	
-6642	C4	SLES	1	1.64965	-29.5581	-3.81227	CTL2	6639	6643	6644	6645	-0.18	
-6643	H41	SLES	1	1.03259	-28.9222	-4.48078	HAL2	6642	0	0	0	0.09	
-6644	H42	SLES	1	2.71765	-29.3889	-4.06872	HAL2	6642	0	0	0	0.09	
-6645	C5	SLES	1	1.40403	-29.1173	-2.29896	CTL2	6642	6646	6647	6648	-0.18	
-6646	H51	SLES	1	0.729941	-29.8552	-1.81062	HAL2	6645	0	0	0	0.09	
-6647	H52	SLES	1	2.37621	-29.1297	-1.75523	HAL2	6645	0	0	0	0.09	
-6648	C6	SLES	1	0.765396	-27.6828	-2.17354	CTL2	6645	6649	6650	6651	-0.18	
-6649	H61	SLES	1	-0.298585	-27.7297	-2.49729	HAL2	6648	0	0	0	0.09	
-6650	H62	SLES	1	0.784837	-27.3701	-1.10335	HAL2	6648	0	0	0	0.09	
-6651	C7	SLES	1	1.51143	-26.611	-3.02973	CTL2	6648	6652	6653	6654	-0.18	
-6652	H71	SLES	1	1.16419	-26.6832	-4.08424	HAL2	6651	0	0	0	0.09	
-6653	H72	SLES	1	2.60304	-26.8264	-3.012	HAL2	6651	0	0	0	0.09	
-6654	C8	SLES	1	1.27333	-25.168	-2.51926	CTL2	6651	6655	6656	6657	-0.18	
-6655	H81	SLES	1	0.186118	-25.0267	-2.3208	HAL2	6654	0	0	0	0.09	
-6656	H82	SLES	1	1.81963	-25.027	-1.5589	HAL2	6654	0	0	0	0.09	
-6657	C9	SLES	1	1.74634	-24.0961	-3.53297	CTL2	6654	6658	6659	6660	-0.18	
-6658	H91	SLES	1	1.22143	-24.2562	-4.50209	HAL2	6657	0	0	0	0.09	
-6659	H92	SLES	1	2.83855	-24.2205	-3.70938	HAL2	6657	0	0	0	0.09	
-6660	C10	SLES	1	1.47503	-22.6533	-3.04495	CTL2	6657	6661	6662	6663	-0.18	
-6661	H10	SLES	1	0.379758	-22.5215	-2.89072	HAL2	6660	0	0	0	0.09	
-6662	H10	SLES	1	1.98133	-22.4996	-2.06512	HAL2	6660	0	0	0	0.09	
-6663	C11	SLES	1	1.9778	-21.5821	-4.04874	CTL2	6660	6664	6665	6666	-0.18	
-6664	H11	SLES	1	1.46348	-21.7358	-5.02494	HAL2	6663	0	0	0	0.09	
-6665	H11	SLES	1	3.06965	-21.7292	-4.21342	HAL2	6663	0	0	0	0.09	
-6666	C12	SLES	1	1.73518	-20.1239	-3.58026	CTL3	6663	6667	6668	6669	-0.27	
-6667	H12	SLES	1	1.09789	-19.5831	-4.31425	HAL3	6666	0	0	0	0.09	
-6668	H12	SLES	1	2.70232	-19.5828	-3.48418	HAL3	6666	0	0	0	0.09	
-6669	H12	SLES	1	1.22431	-20.1145	-2.59281	HAL3	6666	0	0	0	0.09	
-6670	NA	SLES	1	13.9728	-41.1	-8.22393	NA	0	0	0	0	1	
-6671	S	SLES	1	13.0098	-40.5621	-4.74058	SL	6672	6673	6674	6675	1.33	
-6672	OS1	SLES	1	13.0195	-39.3675	-5.91536	OSL	6671	6676	0	0	-0.28	
-6673	OS2	SLES	1	12.1252	-41.6023	-5.2233	O2L	6671	0	0	0	-0.65	
-6674	OS3	SLES	1	14.3657	-41.0645	-4.66579	O2L	6671	0	0	0	-0.65	
-6675	OS4	SLES	1	12.5756	-40.1126	-3.4276	O2L	6671	0	0	0	-0.65	
-6676	C2	SLES	1	12.3825	-38.1255	-5.39382	CC32A	6672	6677	6678	6679	-0.11	
-6677	H2A	SLES	1	11.3439	-38.3401	-5.0166	HCA2	6676	0	0	0	0.09	
-6678	H2B	SLES	1	13.0059	-37.7348	-4.54232	HCA2	6676	0	0	0	0.09	
-6679	C1	SLES	1	12.3175	-37.0322	-6.56274	CC32A	6676	6680	6681	6682	-0.01	
-6680	H1B	SLES	1	11.7758	-37.4496	-7.44251	HCA2	6679	0	0	0	0.09	
-6681	H1A	SLES	1	13.3496	-36.7506	-6.87686	HCA2	6679	0	0	0	0.09	
-6682	O1	SLES	1	11.6396	-35.7415	-6.33399	OC30A	6679	6683	0	0	-0.34	
-6683	C2	SLES	1	11.4197	-35.3627	-4.95894	CC32A	6682	6684	6685	6686	-0.01	
-6684	H2A	SLES	1	10.7769	-36.1892	-4.59752	HCA2	6683	0	0	0	0.09	
-6685	H2B	SLES	1	12.4338	-35.4761	-4.51392	HCA2	6683	0	0	0	0.09	
-6686	C1	SLES	1	10.8047	-33.9962	-4.52107	CC32A	6683	6687	6688	6689	-0.01	
-6687	H1B	SLES	1	9.70018	-34.0914	-4.4377	HCA2	6686	0	0	0	0.09	
-6688	H1A	SLES	1	11.2124	-33.7121	-3.53026	HCA2	6686	0	0	0	0.09	
-6689	O1	SLES	1	10.8932	-32.7794	-5.33006	OC30A	6686	6690	0	0	-0.34	
-6690	C1	SLES	1	10.9079	-31.5204	-4.56285	CTL2	6689	6691	6692	6693	-0.18	
-6691	H11	SLES	1	10.655	-31.7729	-3.51718	HAL2	6690	0	0	0	0.09	
-6692	H12	SLES	1	11.9824	-31.248	-4.61317	HAL2	6690	0	0	0	0.09	
-6693	C2	SLES	1	10.0237	-30.3021	-5.04271	CTL2	6690	6694	6695	6696	-0.18	
-6694	H21	SLES	1	9.44209	-30.6057	-5.94183	HAL2	6693	0	0	0	0.09	
-6695	H22	SLES	1	10.6924	-29.463	-5.33474	HAL2	6693	0	0	0	0.09	
-6696	C3	SLES	1	9.0073	-29.795	-3.90772	CTL2	6693	6697	6698	6699	-0.18	
-6697	H31	SLES	1	7.98321	-30.1548	-4.15289	HAL2	6696	0	0	0	0.09	
-6698	H32	SLES	1	9.30009	-30.2396	-2.93569	HAL2	6696	0	0	0	0.09	
-6699	C4	SLES	1	8.97684	-28.2169	-3.76322	CTL2	6696	6700	6701	6702	-0.18	
-6700	H41	SLES	1	8.06739	-27.8272	-4.26635	HAL2	6699	0	0	0	0.09	
-6701	H42	SLES	1	9.86331	-27.7862	-4.27677	HAL2	6699	0	0	0	0.09	
-6702	C5	SLES	1	8.97696	-27.7392	-2.24118	CTL2	6699	6703	6704	6705	-0.18	
-6703	H51	SLES	1	8.67148	-28.5904	-1.59344	HAL2	6702	0	0	0	0.09	
-6704	H52	SLES	1	10.0121	-27.4447	-1.95358	HAL2	6702	0	0	0	0.09	
-6705	C6	SLES	1	8.00754	-26.5256	-1.97871	CTL2	6702	6706	6707	6708	-0.18	
-6706	H61	SLES	1	6.95504	-26.8844	-2.02983	HAL2	6705	0	0	0	0.09	
-6707	H62	SLES	1	8.18712	-26.1347	-0.949923	HAL2	6705	0	0	0	0.09	
-6708	C7	SLES	1	8.2001	-25.3642	-3.00447	CTL2	6705	6709	6710	6711	-0.18	
-6709	H71	SLES	1	7.65132	-25.6118	-3.94005	HAL2	6708	0	0	0	0.09	
-6710	H72	SLES	1	9.28089	-25.2742	-3.25373	HAL2	6708	0	0	0	0.09	
-6711	C8	SLES	1	7.69087	-24.0033	-2.4676	CTL2	6708	6712	6713	6714	-0.18	
-6712	H81	SLES	1	6.68547	-24.1459	-2.00907	HAL2	6711	0	0	0	0.09	
-6713	H82	SLES	1	8.38355	-23.6434	-1.67307	HAL2	6711	0	0	0	0.09	
-6714	C9	SLES	1	7.59255	-22.9281	-3.57877	CTL2	6711	6715	6716	6717	-0.18	
-6715	H91	SLES	1	6.9231	-23.3013	-4.38683	HAL2	6714	0	0	0	0.09	
-6716	H92	SLES	1	8.60295	-22.7662	-4.01736	HAL2	6714	0	0	0	0.09	
-6717	C10	SLES	1	7.04723	-21.5783	-3.05547	CTL2	6714	6718	6719	6720	-0.18	
-6718	H10	SLES	1	6.02671	-21.7357	-2.63771	HAL2	6717	0	0	0	0.09	
-6719	H10	SLES	1	7.70365	-21.2154	-2.23237	HAL2	6717	0	0	0	0.09	
-6720	C11	SLES	1	6.9791	-20.4949	-4.16434	CTL2	6717	6721	6722	6723	-0.18	
-6721	H11	SLES	1	6.31607	-20.8596	-4.98195	HAL2	6720	0	0	0	0.09	
-6722	H11	SLES	1	7.99834	-20.3539	-4.59122	HAL2	6720	0	0	0	0.09	
-6723	C12	SLES	1	6.45161	-19.124	-3.66722	CTL3	6720	6724	6725	6726	-0.27	
-6724	H12	SLES	1	5.53488	-18.8363	-4.22774	HAL3	6723	0	0	0	0.09	
-6725	H12	SLES	1	7.22161	-18.3357	-3.81853	HAL3	6723	0	0	0	0.09	
-6726	H12	SLES	1	6.20379	-19.1741	-2.58454	HAL3	6723	0	0	0	0.09	
-6727	NA	SLES	1	23.2122	-36.6678	-8.2915	NA	0	0	0	0	1	
-6728	S	SLES	1	22.8742	-35.9365	-4.72759	SL	6729	6730	6731	6732	1.33	
-6729	OS1	SLES	1	22.2972	-34.9524	-5.95479	OSL	6728	6733	0	0	-0.28	
-6730	OS2	SLES	1	22.2472	-37.2289	-4.91163	O2L	6728	0	0	0	-0.65	
-6731	OS3	SLES	1	24.3024	-36.0478	-4.93844	O2L	6728	0	0	0	-0.65	
-6732	OS4	SLES	1	22.6092	-35.4441	-3.38531	O2L	6728	0	0	0	-0.65	
-6733	C2	SLES	1	21.4512	-33.8641	-5.38901	CC32A	6729	6734	6735	6736	-0.11	
-6734	H2A	SLES	1	20.6194	-34.2924	-4.76306	HCA2	6733	0	0	0	0.09	
-6735	H2B	SLES	1	22.097	-33.2109	-4.73903	HCA2	6733	0	0	0	0.09	
-6736	C1	SLES	1	20.8347	-32.9958	-6.58558	CC32A	6733	6737	6738	6739	-0.01	
-6737	H1B	SLES	1	20.267	-33.6568	-7.28027	HCA2	6736	0	0	0	0.09	
-6738	H1A	SLES	1	21.654	-32.4967	-7.15368	HCA2	6736	0	0	0	0.09	
-6739	O1	SLES	1	19.876	-31.9114	-6.29742	OC30A	6736	6740	0	0	-0.34	
-6740	C2	SLES	1	19.8445	-31.4215	-4.94038	CC32A	6739	6741	6742	6743	-0.01	
-6741	H2A	SLES	1	19.5559	-32.3316	-4.37882	HCA2	6740	0	0	0	0.09	
-6742	H2B	SLES	1	20.9172	-31.2014	-4.73999	HCA2	6740	0	0	0	0.09	
-6743	C1	SLES	1	18.9659	-30.2198	-4.46989	CC32A	6740	6744	6745	6746	-0.01	
-6744	H1B	SLES	1	17.9776	-30.5913	-4.12181	HCA2	6743	0	0	0	0.09	
-6745	H1A	SLES	1	19.4695	-29.7065	-3.62634	HCA2	6743	0	0	0	0.09	
-6746	O1	SLES	1	18.5316	-29.1442	-5.36277	OC30A	6743	6747	0	0	-0.34	
-6747	C1	SLES	1	18.3407	-27.8341	-4.71378	CTL2	6746	6748	6749	6750	-0.18	
-6748	H11	SLES	1	18.3923	-28.0003	-3.6225	HAL2	6747	0	0	0	0.09	
-6749	H12	SLES	1	19.2567	-27.2969	-5.03555	HAL2	6747	0	0	0	0.09	
-6750	C2	SLES	1	17.064	-26.9695	-5.05847	CTL2	6747	6751	6752	6753	-0.18	
-6751	H21	SLES	1	16.4223	-27.5349	-5.77076	HAL2	6750	0	0	0	0.09	
-6752	H22	SLES	1	17.3875	-26.0311	-5.55983	HAL2	6750	0	0	0	0.09	
-6753	C3	SLES	1	16.2012	-26.6	-3.75559	CTL2	6750	6754	6755	6756	-0.18	
-6754	H31	SLES	1	15.2966	-27.2474	-3.72574	HAL2	6753	0	0	0	0.09	
-6755	H32	SLES	1	16.8033	-26.8154	-2.85045	HAL2	6753	0	0	0	0.09	
-6756	C4	SLES	1	15.7479	-25.0816	-3.72251	CTL2	6753	6757	6758	6759	-0.18	
-6757	H41	SLES	1	14.6814	-25.018	-4.02389	HAL2	6756	0	0	0	0.09	
-6758	H42	SLES	1	16.347	-24.5057	-4.46034	HAL2	6756	0	0	0	0.09	
-6759	C5	SLES	1	15.9239	-24.4191	-2.28205	CTL2	6756	6760	6761	6762	-0.18	
-6760	H51	SLES	1	16.0169	-25.2248	-1.52074	HAL2	6759	0	0	0	0.09	
-6761	H52	SLES	1	16.8664	-23.8253	-2.26866	HAL2	6759	0	0	0	0.09	
-6762	C6	SLES	1	14.7218	-23.4809	-1.88691	CTL2	6759	6763	6764	6765	-0.18	
-6763	H61	SLES	1	13.8303	-24.1085	-1.66238	HAL2	6762	0	0	0	0.09	
-6764	H62	SLES	1	14.9891	-22.9207	-0.960508	HAL2	6762	0	0	0	0.09	
-6765	C7	SLES	1	14.356	-22.46	-3.0104	CTL2	6762	6766	6767	6768	-0.18	
-6766	H71	SLES	1	13.7214	-22.9682	-3.76981	HAL2	6765	0	0	0	0.09	
-6767	H72	SLES	1	15.2895	-22.1222	-3.51327	HAL2	6765	0	0	0	0.09	
-6768	C8	SLES	1	13.5984	-21.2223	-2.46848	CTL2	6765	6769	6770	6771	-0.18	
-6769	H81	SLES	1	12.7937	-21.562	-1.77677	HAL2	6768	0	0	0	0.09	
-6770	H82	SLES	1	14.3062	-20.5879	-1.88782	HAL2	6768	0	0	0	0.09	
-6771	C9	SLES	1	12.9678	-20.3723	-3.59992	CTL2	6768	6772	6773	6774	-0.18	
-6772	H91	SLES	1	12.2828	-21.015	-4.19821	HAL2	6771	0	0	0	0.09	
-6773	H92	SLES	1	13.7758	-20.0101	-4.27488	HAL2	6771	0	0	0	0.09	
-6774	C10	SLES	1	12.1768	-19.1565	-3.06185	CTL2	6771	6775	6776	6777	-0.18	
-6775	H10	SLES	1	11.3538	-19.5199	-2.40502	HAL2	6774	0	0	0	0.09	
-6776	H10	SLES	1	12.8557	-18.525	-2.44516	HAL2	6774	0	0	0	0.09	
-6777	C11	SLES	1	11.5726	-18.2903	-4.19877	CTL2	6774	6778	6779	6780	-0.18	
-6778	H11	SLES	1	10.8892	-18.9246	-4.80845	HAL2	6777	0	0	0	0.09	
-6779	H11	SLES	1	12.3973	-17.9442	-4.86295	HAL2	6777	0	0	0	0.09	
-6780	C12	SLES	1	10.7868	-17.0533	-3.69179	CTL3	6777	6781	6782	6783	-0.27	
-6781	H12	SLES	1	9.73117	-17.0968	-4.03969	HAL3	6780	0	0	0	0.09	
-6782	H12	SLES	1	11.2487	-16.1175	-4.07698	HAL3	6780	0	0	0	0.09	
-6783	H12	SLES	1	10.7925	-17.0199	-2.5805	HAL3	6780	0	0	0	0.09	
-6784	NA	SLES	1	31.1766	-30.2137	-8.19983	NA	0	0	0	0	1	
-6785	S	SLES	1	31.2361	-28.9582	-4.76899	SL	6786	6787	6788	6789	1.33	
-6786	OS1	SLES	1	30.2022	-28.3999	-5.96354	OSL	6785	6790	0	0	-0.28	
-6787	OS2	SLES	1	30.9913	-30.3806	-4.64913	O2L	6785	0	0	0	-0.65	
-6788	OS3	SLES	1	32.5791	-28.7294	-5.25944	O2L	6785	0	0	0	-0.65	
-6789	OS4	SLES	1	31.0655	-28.3156	-3.47579	O2L	6785	0	0	0	-0.65	
-6790	C2	SLES	1	29.1819	-27.4858	-5.37732	CC32A	6786	6791	6792	6793	-0.11	
-6791	H2A	SLES	1	28.6268	-27.9947	-4.5406	HCA2	6790	0	0	0	0.09	
-6792	H2B	SLES	1	29.7079	-26.5795	-4.96731	HCA2	6790	0	0	0	0.09	
-6793	C1	SLES	1	28.1497	-27.042	-6.51898	CC32A	6790	6794	6795	6796	-0.01	
-6794	H1B	SLES	1	27.6923	-27.9436	-6.98774	HCA2	6793	0	0	0	0.09	
-6795	H1A	SLES	1	28.6821	-26.4588	-7.30612	HCA2	6793	0	0	0	0.09	
-6796	O1	SLES	1	26.9784	-26.2118	-6.17759	OC30A	6793	6797	0	0	-0.34	
-6797	C2	SLES	1	27.031	-25.5079	-4.91887	CC32A	6796	6798	6799	6800	-0.01	
-6798	H2A	SLES	1	27.1173	-26.3434	-4.19684	HCA2	6797	0	0	0	0.09	
-6799	H2B	SLES	1	28.0108	-24.9827	-4.97865	HCA2	6797	0	0	0	0.09	
-6800	C1	SLES	1	25.9312	-24.5121	-4.43275	CC32A	6797	6801	6802	6803	-0.01	
-6801	H1B	SLES	1	25.1659	-25.0587	-3.8397	HCA2	6800	0	0	0	0.09	
-6802	H1A	SLES	1	26.396	-23.7402	-3.78723	HCA2	6800	0	0	0	0.09	
-6803	O1	SLES	1	25.0606	-23.7689	-5.3451	OC30A	6800	6804	0	0	-0.34	
-6804	C1	SLES	1	24.6066	-22.4584	-4.84456	CTL2	6803	6805	6806	6807	-0.18	
-6805	H11	SLES	1	24.8847	-22.4033	-3.77647	HAL2	6804	0	0	0	0.09	
-6806	H12	SLES	1	25.2598	-21.7688	-5.41823	HAL2	6804	0	0	0	0.09	
-6807	C2	SLES	1	23.0948	-22.0349	-5.02131	CTL2	6804	6808	6809	6810	-0.18	
-6808	H21	SLES	1	22.5368	-22.8684	-5.50385	HAL2	6807	0	0	0	0.09	
-6809	H22	SLES	1	23.0431	-21.1525	-5.69599	HAL2	6807	0	0	0	0.09	
-6810	C3	SLES	1	22.3903	-21.6721	-3.62472	CTL2	6807	6811	6812	6813	-0.18	
-6811	H31	SLES	1	21.7316	-22.5164	-3.32219	HAL2	6810	0	0	0	0.09	
-6812	H32	SLES	1	23.1704	-21.5539	-2.84647	HAL2	6810	0	0	0	0.09	
-6813	C4	SLES	1	21.5264	-20.345	-3.6927	CTL2	6810	6814	6815	6816	-0.18	
-6814	H41	SLES	1	20.4531	-20.618	-3.76862	HAL2	6813	0	0	0	0.09	
-6815	H42	SLES	1	21.8007	-19.7773	-4.60788	HAL2	6813	0	0	0	0.09	
-6816	C5	SLES	1	21.7381	-19.4081	-2.419	CTL2	6813	6817	6818	6819	-0.18	
-6817	H51	SLES	1	22.1866	-20.0087	-1.59707	HAL2	6816	0	0	0	0.09	
-6818	H52	SLES	1	22.4553	-18.5969	-2.68068	HAL2	6816	0	0	0	0.09	
-6819	C6	SLES	1	20.3978	-18.7604	-1.90393	CTL2	6816	6820	6821	6822	-0.18	
-6820	H61	SLES	1	19.7779	-19.547	-1.41803	HAL2	6819	0	0	0	0.09	
-6821	H62	SLES	1	20.64	-17.9905	-1.13444	HAL2	6819	0	0	0	0.09	
-6822	C7	SLES	1	19.5694	-18.0932	-3.04715	CTL2	6819	6823	6824	6825	-0.18	
-6823	H71	SLES	1	18.9936	-18.8792	-3.5842	HAL2	6822	0	0	0	0.09	
-6824	H72	SLES	1	20.2671	-17.6212	-3.77431	HAL2	6822	0	0	0	0.09	
-6825	C8	SLES	1	18.5849	-17.0188	-2.52185	CTL2	6822	6826	6827	6828	-0.18	
-6826	H81	SLES	1	18.0404	-17.4245	-1.63852	HAL2	6825	0	0	0	0.09	
-6827	H82	SLES	1	19.1632	-16.1267	-2.18965	HAL2	6825	0	0	0	0.09	
-6828	C9	SLES	1	17.5556	-16.5841	-3.59509	CTL2	6825	6829	6830	6831	-0.18	
-6829	H91	SLES	1	16.9982	-17.4813	-3.9481	HAL2	6828	0	0	0	0.09	
-6830	H92	SLES	1	18.0993	-16.153	-4.46577	HAL2	6828	0	0	0	0.09	
-6831	C10	SLES	1	16.5454	-15.5398	-3.06369	CTL2	6828	6832	6833	6834	-0.18	
-6832	H10	SLES	1	15.9848	-15.9792	-2.20726	HAL2	6831	0	0	0	0.09	
-6833	H10	SLES	1	17.1033	-14.6514	-2.69013	HAL2	6831	0	0	0	0.09	
-6834	C11	SLES	1	15.5352	-15.0839	-4.14987	CTL2	6831	6835	6836	6837	-0.18	
-6835	H11	SLES	1	14.975	-15.9749	-4.51533	HAL2	6834	0	0	0	0.09	
-6836	H11	SLES	1	16.1012	-14.6619	-5.01153	HAL2	6834	0	0	0	0.09	
-6837	C12	SLES	1	14.5186	-14.0239	-3.65242	CTL3	6834	6838	6839	6840	-0.27	
-6838	H12	SLES	1	13.479	-14.4042	-3.76191	HAL3	6837	0	0	0	0.09	
-6839	H12	SLES	1	14.6173	-13.0866	-4.24328	HAL3	6837	0	0	0	0.09	
-6840	H12	SLES	1	14.6985	-13.7879	-2.58095	HAL3	6837	0	0	0	0.09	
-6841	NA	SLES	1	37.4544	-22.0448	-7.95469	NA	0	0	0	0	1	
-6842	S	SLES	1	37.5411	-20.1007	-4.86219	SL	6843	6844	6845	6846	1.33	
-6843	OS1	SLES	1	36.2591	-20.1066	-5.94107	OSL	6842	6847	0	0	-0.28	
-6844	OS2	SLES	1	37.7361	-21.476	-4.4523	O2L	6842	0	0	0	-0.65	
-6845	OS3	SLES	1	38.6936	-19.6414	-5.60863	O2L	6842	0	0	0	-0.65	
-6846	OS4	SLES	1	37.3412	-19.2592	-3.69334	O2L	6842	0	0	0	-0.65	
-6847	C2	SLES	1	35.0917	-19.3861	-5.35947	CC32A	6843	6848	6849	6850	-0.11	
-6848	H2A	SLES	1	34.8089	-19.8273	-4.36321	HCA2	6847	0	0	0	0.09	
-6849	H2B	SLES	1	35.3749	-18.3069	-5.21285	HCA2	6847	0	0	0	0.09	
-6850	C1	SLES	1	33.8507	-19.4876	-6.36713	CC32A	6847	6851	6852	6853	-0.01	
-6851	H1B	SLES	1	33.6244	-20.5571	-6.58332	HCA2	6850	0	0	0	0.09	
-6852	H1A	SLES	1	34.096	-18.9716	-7.3246	HCA2	6850	0	0	0	0.09	
-6853	O1	SLES	1	32.536	-18.9388	-5.98202	OC30A	6850	6854	0	0	-0.34	
-6854	C2	SLES	1	32.5262	-17.9887	-4.89576	CC32A	6853	6855	6856	6857	-0.01	
-6855	H2A	SLES	1	32.9345	-18.5943	-4.06302	HCA2	6854	0	0	0	0.09	
-6856	H2B	SLES	1	33.2972	-17.2518	-5.2149	HCA2	6854	0	0	0	0.09	
-6857	C1	SLES	1	31.2481	-17.234	-4.41197	CC32A	6854	6858	6859	6860	-0.01	
-6858	H1B	SLES	1	30.7485	-17.8188	-3.6091	HCA2	6857	0	0	0	0.09	
-6859	H1A	SLES	1	31.5394	-16.246	-4.00281	HCA2	6857	0	0	0	0.09	
-6860	O1	SLES	1	30.0999	-16.9618	-5.27814	OC30A	6857	6861	0	0	-0.34	
-6861	C1	SLES	1	29.3452	-15.7391	-4.947	CTL2	6860	6862	6863	6864	-0.18	
-6862	H11	SLES	1	29.7164	-15.3817	-3.96938	HAL2	6861	0	0	0	0.09	
-6863	H12	SLES	1	29.699	-15.045	-5.73716	HAL2	6861	0	0	0	0.09	
-6864	C2	SLES	1	27.7658	-15.7748	-4.93356	CTL2	6861	6865	6866	6867	-0.18	
-6865	H21	SLES	1	27.4226	-16.8096	-5.15789	HAL2	6864	0	0	0	0.09	
-6866	H22	SLES	1	27.3823	-15.1057	-5.73469	HAL2	6864	0	0	0	0.09	
-6867	C3	SLES	1	27.152	-15.3133	-3.52332	CTL2	6864	6868	6869	6870	-0.18	
-6868	H31	SLES	1	26.8068	-16.2135	-2.9676	HAL2	6867	0	0	0	0.09	
-6869	H32	SLES	1	27.9483	-14.8285	-2.924	HAL2	6867	0	0	0	0.09	
-6870	C4	SLES	1	25.9376	-14.3062	-3.67566	CTL2	6867	6871	6872	6873	-0.18	
-6871	H41	SLES	1	24.9889	-14.8601	-3.51659	HAL2	6870	0	0	0	0.09	
-6872	H42	SLES	1	25.9277	-13.9003	-4.71014	HAL2	6870	0	0	0	0.09	
-6873	C5	SLES	1	26.013	-13.0923	-2.64343	CTL2	6870	6874	6875	6876	-0.18	
-6874	H51	SLES	1	26.7084	-13.3605	-1.81764	HAL2	6873	0	0	0	0.09	
-6875	H52	SLES	1	26.4281	-12.199	-3.16375	HAL2	6873	0	0	0	0.09	
-6876	C6	SLES	1	24.6109	-12.7214	-2.02868	CTL2	6873	6877	6878	6879	-0.18	
-6877	H61	SLES	1	24.3069	-13.5172	-1.31214	HAL2	6876	0	0	0	0.09	
-6878	H62	SLES	1	24.7057	-11.7664	-1.46078	HAL2	6876	0	0	0	0.09	
-6879	C7	SLES	1	23.4984	-12.5599	-3.11239	CTL2	6876	6880	6881	6882	-0.18	
-6880	H71	SLES	1	23.1182	-13.5666	-3.39489	HAL2	6879	0	0	0	0.09	
-6881	H72	SLES	1	23.94	-12.0922	-4.02045	HAL2	6879	0	0	0	0.09	
-6882	C8	SLES	1	22.3113	-11.6925	-2.62435	CTL2	6879	6883	6884	6885	-0.18	
-6883	H81	SLES	1	22.0139	-12.0238	-1.60298	HAL2	6882	0	0	0	0.09	
-6884	H82	SLES	1	22.6394	-10.6301	-2.55959	HAL2	6882	0	0	0	0.09	
-6885	C9	SLES	1	21.0835	-11.7869	-3.56459	CTL2	6882	6886	6887	6888	-0.18	
-6886	H91	SLES	1	20.7744	-12.8533	-3.65219	HAL2	6885	0	0	0	0.09	
-6887	H92	SLES	1	21.3743	-11.4293	-4.57803	HAL2	6885	0	0	0	0.09	
-6888	C10	SLES	1	19.8815	-10.9533	-3.06088	CTL2	6885	6889	6890	6891	-0.18	
-6889	H10	SLES	1	19.5756	-11.3263	-2.05687	HAL2	6888	0	0	0	0.09	
-6890	H10	SLES	1	20.1961	-9.8907	-2.95188	HAL2	6888	0	0	0	0.09	
-6891	C11	SLES	1	18.6644	-11.0256	-4.0207	CTL2	6888	6892	6893	6894	-0.18	
-6892	H11	SLES	1	18.3493	-12.0895	-4.12101	HAL2	6891	0	0	0	0.09	
-6893	H11	SLES	1	18.9799	-10.6687	-5.02764	HAL2	6891	0	0	0	0.09	
-6894	C12	SLES	1	17.4478	-10.1863	-3.55159	CTL3	6891	6895	6896	6897	-0.27	
-6895	H12	SLES	1	16.5584	-10.8395	-3.41186	HAL3	6894	0	0	0	0.09	
-6896	H12	SLES	1	17.2008	-9.40803	-4.307	HAL3	6894	0	0	0	0.09	
-6897	H12	SLES	1	17.6735	-9.68372	-2.58587	HAL3	6894	0	0	0	0.09	
-6898	NA	SLES	1	41.6818	-12.5453	-7.57148	NA	0	0	0	0	1	
-6899	S	SLES	1	41.3847	-9.96533	-5.00132	SL	6900	6901	6902	6903	1.33	
-6900	OS1	SLES	1	40.0985	-10.57	-5.88879	OSL	6899	6904	0	0	-0.28	
-6901	OS2	SLES	1	41.989	-11.0995	-4.33348	O2L	6899	0	0	0	-0.65	
-6902	OS3	SLES	1	42.3123	-9.40933	-5.96407	O2L	6899	0	0	0	-0.65	
-6903	OS4	SLES	1	41.0193	-8.95225	-4.02429	O2L	6899	0	0	0	-0.65	
-6904	C2	SLES	1	38.8089	-10.0678	-5.33659	CC32A	6900	6905	6906	6907	-0.11	
-6905	H2A	SLES	1	38.7221	-10.3159	-4.24203	HCA2	6904	0	0	0	0.09	
-6906	H2B	SLES	1	38.7787	-8.94971	-5.46019	HCA2	6904	0	0	0	0.09	
-6907	C1	SLES	1	37.5934	-10.7338	-6.13956	CC32A	6904	6908	6909	6910	-0.01	
-6908	H1B	SLES	1	37.6713	-11.8444	-6.09241	HCA2	6907	0	0	0	0.09	
-6909	H1A	SLES	1	37.6251	-10.4165	-7.20795	HCA2	6907	0	0	0	0.09	
-6910	O1	SLES	1	36.2009	-10.4781	-5.72301	OC30A	6907	6911	0	0	-0.34	
-6911	C2	SLES	1	35.9815	-9.3331	-4.87251	CC32A	6910	6912	6913	6914	-0.01	
-6912	H2A	SLES	1	36.5934	-9.59045	-3.98577	HCA2	6911	0	0	0	0.09	
-6913	H2B	SLES	1	36.4892	-8.51673	-5.4339	HCA2	6911	0	0	0	0.09	
-6914	C1	SLES	1	34.5706	-8.85183	-4.40887	CC32A	6911	6915	6916	6917	-0.01	
-6915	H1B	SLES	1	34.3066	-9.33794	-3.44448	HCA2	6914	0	0	0	0.09	
-6916	H1A	SLES	1	34.5894	-7.75367	-4.25954	HCA2	6914	0	0	0	0.09	
-6917	O1	SLES	1	33.3448	-9.11025	-5.1661	OC30A	6914	6918	0	0	-0.34	
-6918	C1	SLES	1	32.2916	-8.08955	-5.01465	CTL2	6917	6919	6920	6921	-0.18	
-6919	H11	SLES	1	32.6001	-7.42283	-4.18914	HAL2	6918	0	0	0	0.09	
-6920	H12	SLES	1	32.3856	-7.53696	-5.9723	HAL2	6918	0	0	0	0.09	
-6921	C2	SLES	1	30.7922	-8.53916	-4.80073	CTL2	6918	6922	6923	6924	-0.18	
-6922	H21	SLES	1	30.7478	-9.65033	-4.75461	HAL2	6921	0	0	0	0.09	
-6923	H22	SLES	1	30.1876	-8.20832	-5.67347	HAL2	6921	0	0	0	0.09	
-6924	C3	SLES	1	30.1538	-7.93301	-3.45776	CTL2	6921	6925	6926	6927	-0.18	
-6925	H31	SLES	1	30.1137	-8.73197	-2.68424	HAL2	6924	0	0	0	0.09	
-6926	H32	SLES	1	30.8107	-7.12512	-3.07817	HAL2	6924	0	0	0	0.09	
-6927	C4	SLES	1	28.695	-7.35165	-3.67245	CTL2	6924	6928	6929	6930	-0.18	
-6928	H41	SLES	1	27.9557	-8.08269	-3.28364	HAL2	6927	0	0	0	0.09	
-6929	H42	SLES	1	28.5098	-7.22335	-4.76069	HAL2	6927	0	0	0	0.09	
-6930	C5	SLES	1	28.4783	-5.95054	-2.94123	CTL2	6927	6931	6932	6933	-0.18	
-6931	H51	SLES	1	29.2676	-5.81825	-2.1686	HAL2	6930	0	0	0	0.09	
-6932	H52	SLES	1	28.5892	-5.13097	-3.68752	HAL2	6930	0	0	0	0.09	
-6933	C6	SLES	1	27.0664	-5.82917	-2.25333	CTL2	6930	6934	6935	6936	-0.18	
-6934	H61	SLES	1	27.045	-6.48112	-1.35135	HAL2	6933	0	0	0	0.09	
-6935	H62	SLES	1	26.9158	-4.77606	-1.91904	HAL2	6933	0	0	0	0.09	
-6936	C7	SLES	1	25.894	-6.23372	-3.20205	CTL2	6933	6937	6938	6939	-0.18	
-6937	H71	SLES	1	25.8029	-7.34247	-3.21377	HAL2	6936	0	0	0	0.09	
-6938	H72	SLES	1	26.1301	-5.89748	-4.23623	HAL2	6936	0	0	0	0.09	
-6939	C8	SLES	1	24.5381	-5.62204	-2.76955	CTL2	6936	6940	6941	6942	-0.18	
-6940	H81	SLES	1	24.4073	-5.76544	-1.6724	HAL2	6939	0	0	0	0.09	
-6941	H82	SLES	1	24.5509	-4.52729	-2.9744	HAL2	6939	0	0	0	0.09	
-6942	C9	SLES	1	23.3371	-6.26176	-3.51033	CTL2	6939	6943	6944	6945	-0.18	
-6943	H91	SLES	1	23.3422	-7.36061	-3.3291	HAL2	6942	0	0	0	0.09	
-6944	H92	SLES	1	23.4545	-6.09365	-4.60462	HAL2	6942	0	0	0	0.09	
-6945	C10	SLES	1	21.9776	-5.6818	-3.05359	CTL2	6942	6946	6947	6948	-0.18	
-6946	H10	SLES	1	21.8495	-5.87057	-1.9633	HAL2	6945	0	0	0	0.09	
-6947	H10	SLES	1	21.98	-4.57985	-3.21396	HAL2	6945	0	0	0	0.09	
-6948	C11	SLES	1	20.7793	-6.30276	-3.81938	CTL2	6945	6949	6950	6951	-0.18	
-6949	H11	SLES	1	20.7772	-7.4039	-3.65027	HAL2	6948	0	0	0	0.09	
-6950	H11	SLES	1	20.9209	-6.12712	-4.91026	HAL2	6948	0	0	0	0.09	
-6951	C12	SLES	1	19.4021	-5.72961	-3.39562	CTL3	6948	6952	6953	6954	-0.27	
-6952	H12	SLES	1	18.7469	-6.5423	-3.01153	HAL3	6951	0	0	0	0.09	
-6953	H12	SLES	1	18.8994	-5.24965	-4.26411	HAL3	6951	0	0	0	0.09	
-6954	H12	SLES	1	19.5293	-4.96877	-2.59494	HAL3	6951	0	0	0	0.09	
-6955	NA	SLES	1	40.2425	-2.18434	-18.1068	NA	0	0	0	0	1	
-6956	S	SLES	1	39.75	0.768073	-16.0113	SL	6957	6958	6959	6960	1.33	
-6957	OS1	SLES	1	38.5607	-0.363386	-16.3473	OSL	6956	6961	0	0	-0.28	
-6958	OS2	SLES	1	40.8416	0.0424865	-15.3953	O2L	6956	0	0	0	-0.65	
-6959	OS3	SLES	1	40.1722	1.30044	-17.2899	O2L	6956	0	0	0	-0.65	
-6960	OS4	SLES	1	39.3222	1.85171	-15.1411	O2L	6956	0	0	0	-0.65	
-6961	C2	SLES	1	37.3563	-0.111291	-15.507	CC32A	6957	6962	6963	6964	-0.11	
-6962	H2A	SLES	1	37.6299	-0.0958529	-14.4152	HCA2	6961	0	0	0	0.09	
-6963	H2B	SLES	1	36.9271	0.889903	-15.7892	HCA2	6961	0	0	0	0.09	
-6964	C1	SLES	1	36.2726	-1.25975	-15.7762	CC32A	6961	6965	6966	6967	-0.01	
-6965	H1B	SLES	1	36.7238	-2.2599	-15.5816	HCA2	6964	0	0	0	0.09	
-6966	H1A	SLES	1	35.9323	-1.2194	-16.8372	HCA2	6964	0	0	0	0.09	
-6967	O1	SLES	1	35.0228	-1.29844	-14.9923	OC30A	6964	6968	0	0	-0.34	
-6968	C2	SLES	1	34.6529	-0.0835074	-14.3069	CC32A	6967	6969	6970	6971	-0.01	
-6969	H2A	SLES	1	35.5143	0.0623772	-13.626	HCA2	6968	0	0	0	0.09	
-6970	H2B	SLES	1	34.7055	0.675615	-15.1195	HCA2	6968	0	0	0	0.09	
-6971	C1	SLES	1	33.3231	0.0942148	-13.5086	CC32A	6968	6972	6973	6974	-0.01	
-6972	H1B	SLES	1	33.4823	-0.192016	-12.4461	HCA2	6971	0	0	0	0.09	
-6973	H1A	SLES	1	33.0125	1.15752	-13.5472	HCA2	6971	0	0	0	0.09	
-6974	O1	SLES	1	32.106	-0.666656	-13.7958	OC30A	6971	6975	0	0	-0.34	
-6975	C1	SLES	1	30.8457	0.0332149	-13.4862	CTL2	6974	6976	6977	6978	-0.18	
-6976	H11	SLES	1	31.109	0.940877	-12.9136	HAL2	6975	0	0	0	0.09	
-6977	H12	SLES	1	30.5113	0.336632	-14.4998	HAL2	6975	0	0	0	0.09	
-6978	C2	SLES	1	29.6827	-0.740536	-12.748	CTL2	6975	6979	6980	6981	-0.18	
-6979	H21	SLES	1	30.0226	-1.77472	-12.5163	HAL2	6978	0	0	0	0.09	
-6980	H22	SLES	1	28.807	-0.812638	-13.4296	HAL2	6978	0	0	0	0.09	
-6981	C3	SLES	1	29.2319	-0.0194775	-11.3859	CTL2	6978	6982	6983	6984	-0.18	
-6982	H31	SLES	1	29.6516	-0.582784	-10.5229	HAL2	6981	0	0	0	0.09	
-6983	H32	SLES	1	29.6554	1.00439	-11.3618	HAL2	6981	0	0	0	0.09	
-6984	C4	SLES	1	27.6578	0.0710401	-11.2241	CTL2	6981	6985	6986	6987	-0.18	
-6985	H41	SLES	1	27.3234	-0.714336	-10.5145	HAL2	6984	0	0	0	0.09	
-6986	H42	SLES	1	27.1779	-0.128388	-12.2064	HAL2	6984	0	0	0	0.09	
-6987	C5	SLES	1	27.1758	1.49546	-10.6916	CTL2	6984	6988	6989	6990	-0.18	
-6988	H51	SLES	1	28.0412	2.02394	-10.2342	HAL2	6987	0	0	0	0.09	
-6989	H52	SLES	1	26.8205	2.10392	-11.5544	HAL2	6987	0	0	0	0.09	
-6990	C6	SLES	1	26.02	1.39347	-9.62624	CTL2	6987	6991	6992	6993	-0.18	
-6991	H61	SLES	1	26.4397	1.00367	-8.67178	HAL2	6990	0	0	0	0.09	
-6992	H62	SLES	1	25.6158	2.41437	-9.43165	HAL2	6990	0	0	0	0.09	
-6993	C7	SLES	1	24.8527	0.464015	-10.0865	CTL2	6990	6994	6995	6996	-0.18	
-6994	H71	SLES	1	25.135	-0.594905	-9.8948	HAL2	6993	0	0	0	0.09	
-6995	H72	SLES	1	24.7007	0.586053	-11.1821	HAL2	6993	0	0	0	0.09	
-6996	C8	SLES	1	23.522	0.770338	-9.35503	CTL2	6993	6997	6998	6999	-0.18	
-6997	H81	SLES	1	23.7215	0.871867	-8.26356	HAL2	6996	0	0	0	0.09	
-6998	H82	SLES	1	23.1197	1.74153	-9.72314	HAL2	6996	0	0	0	0.09	
-6999	C9	SLES	1	22.4582	-0.334343	-9.57457	CTL2	6996	7000	7001	7002	-0.18	
-7000	H91	SLES	1	22.8724	-1.31029	-9.23355	HAL2	6999	0	0	0	0.09	
-7001	H92	SLES	1	22.239	-0.415843	-10.6631	HAL2	6999	0	0	0	0.09	
-7002	C10	SLES	1	21.1407	-0.0525604	-8.81423	CTL2	6999	7003	7004	7005	-0.18	
-7003	H10	SLES	1	21.3559	0.00582877	-7.72289	HAL2	7002	0	0	0	0.09	
-7004	H10	SLES	1	20.7374	0.933459	-9.13853	HAL2	7002	0	0	0	0.09	
-7005	C11	SLES	1	20.0668	-1.14523	-9.06098	CTL2	7002	7006	7007	7008	-0.18	
-7006	H11	SLES	1	20.4723	-2.12824	-8.72873	HAL2	7005	0	0	0	0.09	
-7007	H11	SLES	1	19.8681	-1.21228	-10.155	HAL2	7005	0	0	0	0.09	
-7008	C12	SLES	1	18.7274	-0.88269	-8.325	CTL3	7005	7009	7010	7011	-0.27	
-7009	H12	SLES	1	18.4955	-1.72229	-7.63316	HAL3	7008	0	0	0	0.09	
-7010	H12	SLES	1	17.896	-0.787318	-9.05779	HAL3	7008	0	0	0	0.09	
-7011	H12	SLES	1	18.7882	0.0569904	-7.73388	HAL3	7008	0	0	0	0.09	
-7012	NA	SLES	1	39.732	8.10589	-17.5426	NA	0	0	0	0	1	
-7013	S	SLES	1	38.0967	11.0884	-16.2081	SL	7014	7015	7016	7017	1.33	
-7014	OS1	SLES	1	37.4	9.56511	-16.2495	OSL	7013	7018	0	0	-0.28	
-7015	OS2	SLES	1	39.3234	10.9559	-15.4498	O2L	7013	0	0	0	-0.65	
-7016	OS3	SLES	1	38.4017	11.4292	-17.5819	O2L	7013	0	0	0	-0.65	
-7017	OS4	SLES	1	37.2579	12.1188	-15.6172	O2L	7013	0	0	0	-0.65	
-7018	C2	SLES	1	36.1243	9.55989	-15.4794	CC32A	7014	7019	7020	7021	-0.11	
-7019	H2A	SLES	1	36.2947	9.91931	-14.4264	HCA2	7018	0	0	0	0.09	
-7020	H2B	SLES	1	35.3975	10.2525	-15.9877	HCA2	7018	0	0	0	0.09	
-7021	C1	SLES	1	35.5273	8.07371	-15.4531	CC32A	7018	7022	7023	7024	-0.01	
-7022	H1B	SLES	1	36.2809	7.36992	-15.0305	HCA2	7021	0	0	0	0.09	
-7023	H1A	SLES	1	35.2731	7.74839	-16.4888	HCA2	7021	0	0	0	0.09	
-7024	O1	SLES	1	34.314	7.77581	-14.6677	OC30A	7021	7025	0	0	-0.34	
-7025	C2	SLES	1	33.4976	8.90373	-14.2883	CC32A	7024	7026	7027	7028	-0.01	
-7026	H2A	SLES	1	34.2029	9.49548	-13.6725	HCA2	7025	0	0	0	0.09	
-7027	H2B	SLES	1	33.3441	9.42594	-15.2594	HCA2	7025	0	0	0	0.09	
-7028	C1	SLES	1	32.1335	8.77721	-13.5397	CC32A	7025	7029	7030	7031	-0.01	
-7029	H1B	SLES	1	32.3032	8.81578	-12.4416	HCA2	7028	0	0	0	0.09	
-7030	H1A	SLES	1	31.4782	9.62353	-13.8276	HCA2	7028	0	0	0	0.09	
-7031	O1	SLES	1	31.279	7.59149	-13.6219	OC30A	7028	7032	0	0	-0.34	
-7032	C1	SLES	1	29.8353	7.85192	-13.4735	CTL2	7031	7033	7034	7035	-0.18	
-7033	H11	SLES	1	29.7258	8.89901	-13.1377	HAL2	7032	0	0	0	0.09	
-7034	H12	SLES	1	29.4922	7.77818	-14.5262	HAL2	7032	0	0	0	0.09	
-7035	C2	SLES	1	28.9606	6.90727	-12.5578	CTL2	7032	7036	7037	7038	-0.18	
-7036	H21	SLES	1	29.619	6.14175	-12.0895	HAL2	7035	0	0	0	0.09	
-7037	H22	SLES	1	28.2164	6.37726	-13.1917	HAL2	7035	0	0	0	0.09	
-7038	C3	SLES	1	28.1895	7.71268	-11.4023	CTL2	7035	7039	7040	7041	-0.18	
-7039	H31	SLES	1	28.7133	7.54643	-10.4347	HAL2	7038	0	0	0	0.09	
-7040	H32	SLES	1	28.2299	8.79678	-11.6288	HAL2	7038	0	0	0	0.09	
-7041	C4	SLES	1	26.6737	7.27571	-11.2478	CTL2	7038	7042	7043	7044	-0.18	
-7042	H41	SLES	1	26.5803	6.60667	-10.367	HAL2	7041	0	0	0	0.09	
-7043	H42	SLES	1	26.3659	6.70142	-12.1481	HAL2	7041	0	0	0	0.09	
-7044	C5	SLES	1	25.6913	8.51929	-11.0656	CTL2	7041	7045	7046	7047	-0.18	
-7045	H51	SLES	1	26.2846	9.40871	-10.7583	HAL2	7044	0	0	0	0.09	
-7046	H52	SLES	1	25.212	8.74929	-12.0446	HAL2	7044	0	0	0	0.09	
-7047	C6	SLES	1	24.567	8.26126	-9.99294	CTL2	7044	7048	7049	7050	-0.18	
-7048	H61	SLES	1	25.0242	8.27327	-8.97809	HAL2	7047	0	0	0	0.09	
-7049	H62	SLES	1	23.8217	9.08919	-10.0432	HAL2	7047	0	0	0	0.09	
-7050	C7	SLES	1	23.8302	6.90074	-10.2035	CTL2	7047	7051	7052	7053	-0.18	
-7051	H71	SLES	1	24.4462	6.08329	-9.76757	HAL2	7050	0	0	0	0.09	
-7052	H72	SLES	1	23.7263	6.70814	-11.2946	HAL2	7050	0	0	0	0.09	
-7053	C8	SLES	1	22.4257	6.87537	-9.55052	CTL2	7050	7054	7055	7056	-0.18	
-7054	H81	SLES	1	22.4969	7.28663	-8.51747	HAL2	7053	0	0	0	0.09	
-7055	H82	SLES	1	21.7407	7.53062	-10.1353	HAL2	7053	0	0	0	0.09	
-7056	C9	SLES	1	21.8285	5.44723	-9.48671	CTL2	7053	7057	7058	7059	-0.18	
-7057	H91	SLES	1	22.5283	4.78569	-8.92723	HAL2	7056	0	0	0	0.09	
-7058	H92	SLES	1	21.7317	5.04786	-10.5214	HAL2	7056	0	0	0	0.09	
-7059	C10	SLES	1	20.4427	5.41081	-8.79999	CTL2	7056	7060	7061	7062	-0.18	
-7060	H10	SLES	1	20.5437	5.7885	-7.75695	HAL2	7059	0	0	0	0.09	
-7061	H10	SLES	1	19.7485	6.08918	-9.34577	HAL2	7059	0	0	0	0.09	
-7062	C11	SLES	1	19.834	3.98384	-8.76535	CTL2	7059	7063	7064	7065	-0.18	
-7063	H11	SLES	1	20.5287	3.31082	-8.2126	HAL2	7062	0	0	0	0.09	
-7064	H11	SLES	1	19.7517	3.60354	-9.80916	HAL2	7062	0	0	0	0.09	
-7065	C12	SLES	1	18.4362	3.91669	-8.09742	CTL3	7062	7066	7067	7068	-0.27	
-7066	H12	SLES	1	18.4586	3.23059	-7.22215	HAL3	7065	0	0	0	0.09	
-7067	H12	SLES	1	17.6793	3.5426	-8.82168	HAL3	7065	0	0	0	0.09	
-7068	H12	SLES	1	18.1248	4.92551	-7.74892	HAL3	7065	0	0	0	0.09	
-7069	NA	SLES	1	36.5499	18.1508	-16.9333	NA	0	0	0	0	1	
-7070	S	SLES	1	33.8412	20.5483	-16.418	SL	7071	7072	7073	7074	1.33	
-7071	OS1	SLES	1	33.7141	18.9015	-16.1365	OSL	7070	7075	0	0	-0.28	
-7072	OS2	SLES	1	34.9305	21.0214	-15.589	O2L	7070	0	0	0	-0.65	
-7073	OS3	SLES	1	34.1884	20.6924	-17.8163	O2L	7070	0	0	0	-0.65	
-7074	OS4	SLES	1	32.6335	21.3043	-16.1276	O2L	7070	0	0	0	-0.65	
-7075	C2	SLES	1	32.4272	18.5927	-15.4518	CC32A	7071	7076	7077	7078	-0.11	
-7076	H2A	SLES	1	32.3272	19.1932	-14.5049	HCA2	7075	0	0	0	0.09	
-7077	H2B	SLES	1	31.5812	18.8601	-16.1439	HCA2	7075	0	0	0	0.09	
-7078	C1	SLES	1	32.3716	17.0291	-15.1083	CC32A	7075	7079	7080	7081	-0.01	
-7079	H1B	SLES	1	33.2575	16.7439	-14.4954	HCA2	7078	0	0	0	0.09	
-7080	H1A	SLES	1	32.3797	16.433	-16.0505	HCA2	7078	0	0	0	0.09	
-7081	O1	SLES	1	31.2401	16.4791	-14.337	OC30A	7078	7082	0	0	-0.34	
-7082	C2	SLES	1	30.0476	17.2894	-14.2737	CC32A	7081	7083	7084	7085	-0.01	
-7083	H2A	SLES	1	30.424	18.2061	-13.7788	HCA2	7082	0	0	0	0.09	
-7084	H2B	SLES	1	29.8537	17.5148	-15.3465	HCA2	7082	0	0	0	0.09	
-7085	C1	SLES	1	28.7222	16.834	-13.5858	CC32A	7082	7086	7087	7088	-0.01	
-7086	H1B	SLES	1	28.7245	17.151	-12.5201	HCA2	7085	0	0	0	0.09	
-7087	H1A	SLES	1	27.8621	17.3115	-14.0964	HCA2	7085	0	0	0	0.09	
-7088	O1	SLES	1	28.3389	15.4297	-13.431	OC30A	7085	7089	0	0	-0.34	
-7089	C1	SLES	1	26.8862	15.1775	-13.4204	CTL2	7088	7090	7091	7092	-0.18	
-7090	H11	SLES	1	26.3854	16.1597	-13.345	HAL2	7089	0	0	0	0.09	
-7091	H12	SLES	1	26.7284	14.7752	-14.4425	HAL2	7089	0	0	0	0.09	
-7092	C2	SLES	1	26.2726	14.1863	-12.3541	CTL2	7089	7093	7094	7095	-0.18	
-7093	H21	SLES	1	27.0848	13.8198	-11.6872	HAL2	7092	0	0	0	0.09	
-7094	H22	SLES	1	25.8414	13.3082	-12.883	HAL2	7092	0	0	0	0.09	
-7095	C3	SLES	1	25.1308	14.8751	-11.4595	CTL2	7092	7096	7097	7098	-0.18	
-7096	H31	SLES	1	25.5495	15.1066	-10.4548	HAL2	7095	0	0	0	0.09	
-7097	H32	SLES	1	24.8302	15.8318	-11.9312	HAL2	7095	0	0	0	0.09	
-7098	C4	SLES	1	23.8467	13.9627	-11.2835	CTL2	7095	7099	7100	7101	-0.18	
-7099	H41	SLES	1	23.872	13.4966	-10.2764	HAL2	7098	0	0	0	0.09	
-7100	H42	SLES	1	23.8717	13.1478	-12.0386	HAL2	7098	0	0	0	0.09	
-7101	C5	SLES	1	22.4859	14.7791	-11.447	CTL2	7098	7102	7103	7104	-0.18	
-7102	H51	SLES	1	22.6971	15.8646	-11.3271	HAL2	7101	0	0	0	0.09	
-7103	H52	SLES	1	22.0886	14.6194	-12.4754	HAL2	7101	0	0	0	0.09	
-7104	C6	SLES	1	21.3864	14.3552	-10.4016	CTL2	7101	7105	7106	7107	-0.18	
-7105	H61	SLES	1	21.6764	14.7346	-9.39613	HAL2	7104	0	0	0	0.09	
-7106	H62	SLES	1	20.4178	14.8314	-10.6817	HAL2	7104	0	0	0	0.09	
-7107	C7	SLES	1	21.1887	12.8082	-10.3246	CTL2	7104	7108	7109	7110	-0.18	
-7108	H71	SLES	1	21.9832	12.3726	-9.67905	HAL2	7107	0	0	0	0.09	
-7109	H72	SLES	1	21.2991	12.376	-11.3441	HAL2	7107	0	0	0	0.09	
-7110	C8	SLES	1	19.8039	12.4111	-9.75527	CTL2	7107	7111	7112	7113	-0.18	
-7111	H81	SLES	1	19.5965	13.0192	-8.84495	HAL2	7110	0	0	0	0.09	
-7112	H82	SLES	1	19.0194	12.6442	-10.5108	HAL2	7110	0	0	0	0.09	
-7113	C9	SLES	1	19.7235	10.9079	-9.38901	CTL2	7110	7114	7115	7116	-0.18	
-7114	H91	SLES	1	20.5272	10.6694	-8.65578	HAL2	7113	0	0	0	0.09	
-7115	H92	SLES	1	19.9033	10.3012	-10.305	HAL2	7113	0	0	0	0.09	
-7116	C10	SLES	1	18.3554	10.5143	-8.78338	CTL2	7113	7117	7118	7119	-0.18	
-7117	H10	SLES	1	18.1858	11.1045	-7.85401	HAL2	7116	0	0	0	0.09	
-7118	H10	SLES	1	17.5495	10.7729	-9.50697	HAL2	7116	0	0	0	0.09	
-7119	C11	SLES	1	18.2678	9.00213	-8.44629	CTL2	7116	7120	7121	7122	-0.18	
-7120	H11	SLES	1	19.0714	8.74994	-7.71716	HAL2	7119	0	0	0	0.09	
-7121	H11	SLES	1	18.4558	8.41616	-9.37486	HAL2	7119	0	0	0	0.09	
-7122	C12	SLES	1	16.9014	8.57242	-7.85232	CTL3	7119	7123	7124	7125	-0.27	
-7123	H12	SLES	1	17.0412	8.13134	-6.84076	HAL3	7122	0	0	0	0.09	
-7124	H12	SLES	1	16.4172	7.81369	-8.50598	HAL3	7122	0	0	0	0.09	
-7125	H12	SLES	1	16.2238	9.44965	-7.76575	HAL3	7122	0	0	0	0.09	
-7126	NA	SLES	1	30.7353	27.2226	-16.3203	NA	0	0	0	0	1	
-7127	S	SLES	1	27.3337	28.5209	-16.6265	SL	7128	7129	7130	7131	1.33	
-7128	OS1	SLES	1	27.7184	27.0087	-16.0161	OSL	7127	7132	0	0	-0.28	
-7129	OS2	SLES	1	28.0356	29.4841	-15.8035	O2L	7127	0	0	0	-0.65	
-7130	OS3	SLES	1	27.8549	28.5548	-17.9769	O2L	7127	0	0	0	-0.65	
-7131	OS4	SLES	1	25.9112	28.8223	-16.6375	O2L	7127	0	0	0	-0.65	
-7132	C2	SLES	1	26.5098	26.3675	-15.4259	CC32A	7128	7133	7134	7135	-0.11	
-7133	H2A	SLES	1	26.0476	27.0342	-14.6455	HCA2	7132	0	0	0	0.09	
-7134	H2B	SLES	1	25.7603	26.1942	-16.2472	HCA2	7132	0	0	0	0.09	
-7135	C1	SLES	1	26.9217	24.9676	-14.7653	CC32A	7132	7136	7137	7138	-0.01	
-7136	H1B	SLES	1	27.7281	25.1263	-14.0127	HCA2	7135	0	0	0	0.09	
-7137	H1A	SLES	1	27.2965	24.2722	-15.5522	HCA2	7135	0	0	0	0.09	
-7138	O1	SLES	1	25.9223	24.1754	-14.0227	OC30A	7135	7139	0	0	-0.34	
-7139	C2	SLES	1	24.536	24.4957	-14.2641	CC32A	7138	7140	7141	7142	-0.01	
-7140	H2A	SLES	1	24.4889	25.5532	-13.9379	HCA2	7139	0	0	0	0.09	
-7141	H2B	SLES	1	24.4716	24.4598	-15.3749	HCA2	7139	0	0	0	0.09	
-7142	C1	SLES	1	23.3404	23.7065	-13.6437	CC32A	7139	7143	7144	7145	-0.01	
-7143	H1B	SLES	1	23.0469	24.1693	-12.6764	HCA2	7142	0	0	0	0.09	
-7144	H1A	SLES	1	22.4751	23.75	-14.3351	HCA2	7142	0	0	0	0.09	
-7145	O1	SLES	1	23.4292	22.3034	-13.236	OC30A	7142	7146	0	0	-0.34	
-7146	C1	SLES	1	22.1679	21.5456	-13.3305	CTL2	7145	7147	7148	7149	-0.18	
-7147	H11	SLES	1	21.3618	22.277	-13.5213	HAL2	7146	0	0	0	0.09	
-7148	H12	SLES	1	22.3383	20.955	-14.2543	HAL2	7146	0	0	0	0.09	
-7149	C2	SLES	1	21.7432	20.5842	-12.151	CTL2	7146	7150	7151	7152	-0.18	
-7150	H21	SLES	1	22.4992	20.6501	-11.3367	HAL2	7149	0	0	0	0.09	
-7151	H22	SLES	1	21.7328	19.5368	-12.5244	HAL2	7149	0	0	0	0.09	
-7152	C3	SLES	1	20.297	20.9448	-11.5538	CTL2	7149	7153	7154	7155	-0.18	
-7153	H31	SLES	1	20.4283	21.4708	-10.582	HAL2	7152	0	0	0	0.09	
-7154	H32	SLES	1	19.7818	21.6379	-12.2484	HAL2	7152	0	0	0	0.09	
-7155	C4	SLES	1	19.3837	19.6692	-11.3285	CTL2	7152	7156	7157	7158	-0.18	
-7156	H41	SLES	1	19.3846	19.4123	-10.2486	HAL2	7155	0	0	0	0.09	
-7157	H42	SLES	1	19.8143	18.8091	-11.8853	HAL2	7155	0	0	0	0.09	
-7158	C5	SLES	1	17.88	19.8974	-11.8098	CTL2	7155	7159	7160	7161	-0.18	
-7159	H51	SLES	1	17.6899	20.9896	-11.9016	HAL2	7158	0	0	0	0.09	
-7160	H52	SLES	1	17.7486	19.4413	-12.8176	HAL2	7158	0	0	0	0.09	
-7161	C6	SLES	1	16.8193	19.2766	-10.8245	CTL2	7158	7162	7163	7164	-0.18	
-7162	H61	SLES	1	16.7817	19.8917	-9.89743	HAL2	7161	0	0	0	0.09	
-7163	H62	SLES	1	15.8131	19.3165	-11.3036	HAL2	7161	0	0	0	0.09	
-7164	C7	SLES	1	17.1415	17.7975	-10.4416	CTL2	7161	7165	7166	7167	-0.18	
-7165	H71	SLES	1	17.908	17.7903	-9.63527	HAL2	7164	0	0	0	0.09	
-7166	H72	SLES	1	17.5697	17.2773	-11.3273	HAL2	7164	0	0	0	0.09	
-7167	C8	SLES	1	15.8923	17.0212	-9.95531	CTL2	7164	7168	7169	7170	-0.18	
-7168	H81	SLES	1	15.3348	17.65	-9.22368	HAL2	7167	0	0	0	0.09	
-7169	H82	SLES	1	15.2226	16.8286	-10.8242	HAL2	7167	0	0	0	0.09	
-7170	C9	SLES	1	16.2571	15.6714	-9.28813	CTL2	7167	7171	7172	7173	-0.18	
-7171	H91	SLES	1	16.9504	15.8623	-8.43769	HAL2	7170	0	0	0	0.09	
-7172	H92	SLES	1	16.7896	15.0328	-10.0286	HAL2	7170	0	0	0	0.09	
-7173	C10	SLES	1	15.0158	14.9101	-8.76552	CTL2	7170	7174	7175	7176	-0.18	
-7174	H10	SLES	1	14.4959	15.5393	-8.00746	HAL2	7173	0	0	0	0.09	
-7175	H10	SLES	1	14.3119	14.7383	-9.61113	HAL2	7173	0	0	0	0.09	
-7176	C11	SLES	1	15.382	13.5447	-8.12556	CTL2	7173	7177	7178	7179	-0.18	
-7177	H11	SLES	1	16.0806	13.7225	-7.27619	HAL2	7176	0	0	0	0.09	
-7178	H11	SLES	1	15.9174	12.9263	-8.88173	HAL2	7176	0	0	0	0.09	
-7179	C12	SLES	1	14.1564	12.7491	-7.6064	CTL3	7176	7180	7181	7182	-0.27	
-7180	H12	SLES	1	14.2541	12.5576	-6.51501	HAL3	7179	0	0	0	0.09	
-7181	H12	SLES	1	14.079	11.7719	-8.13219	HAL3	7179	0	0	0	0.09	
-7182	H12	SLES	1	13.22	13.3217	-7.78323	HAL3	7179	0	0	0	0.09	
-7183	NA	SLES	1	22.5524	34.5768	-15.7455	NA	0	0	0	0	1	
-7184	S	SLES	1	19.0606	34.5081	-16.8194	SL	7185	7186	7187	7188	1.33	
-7185	OS1	SLES	1	19.7908	33.3155	-15.8965	OSL	7184	7189	0	0	-0.28	
-7186	OS2	SLES	1	19.2064	35.7441	-16.0788	O2L	7184	0	0	0	-0.65	
-7187	OS3	SLES	1	19.8154	34.5815	-18.053	O2L	7184	0	0	0	-0.65	
-7188	OS4	SLES	1	17.6565	34.2687	-17.112	O2L	7184	0	0	0	-0.65	
-7189	C2	SLES	1	18.771	32.3473	-15.4037	CC32A	7185	7190	7191	7192	-0.11	
-7190	H2A	SLES	1	17.957	32.8813	-14.8385	HCA2	7189	0	0	0	0.09	
-7191	H2B	SLES	1	18.3163	31.825	-16.2906	HCA2	7189	0	0	0	0.09	
-7192	C1	SLES	1	19.4777	31.274	-14.4475	CC32A	7189	7193	7194	7195	-0.01	
-7193	H1B	SLES	1	20.0041	31.796	-13.6155	HCA2	7192	0	0	0	0.09	
-7194	H1A	SLES	1	20.2225	30.681	-15.0278	HCA2	7192	0	0	0	0.09	
-7195	O1	SLES	1	18.668	30.2589	-13.7462	OC30A	7192	7196	0	0	-0.34	
-7196	C2	SLES	1	17.3399	30.025	-14.2601	CC32A	7195	7197	7198	7199	-0.01	
-7197	H2A	SLES	1	16.8725	31.0218	-14.1388	HCA2	7196	0	0	0	0.09	
-7198	H2B	SLES	1	17.5295	29.8471	-15.3425	HCA2	7196	0	0	0	0.09	
-7199	C1	SLES	1	16.3752	28.9279	-13.7096	CC32A	7196	7200	7201	7202	-0.01	
-7200	H1B	SLES	1	15.7446	29.355	-12.8997	HCA2	7199	0	0	0	0.09	
-7201	H1A	SLES	1	15.7139	28.5782	-14.5275	HCA2	7199	0	0	0	0.09	
-7202	O1	SLES	1	16.8404	27.7065	-13.0502	OC30A	7199	7203	0	0	-0.34	
-7203	C1	SLES	1	15.9573	26.5367	-13.21	CTL2	7202	7204	7205	7206	-0.18	
-7204	H11	SLES	1	15.0129	26.8995	-13.6545	HAL2	7203	0	0	0	0.09	
-7205	H12	SLES	1	16.5086	25.9513	-13.9747	HAL2	7203	0	0	0	0.09	
-7206	C2	SLES	1	15.6387	25.6215	-11.9622	CTL2	7203	7207	7208	7209	-0.18	
-7207	H21	SLES	1	16.1367	26.0462	-11.062	HAL2	7206	0	0	0	0.09	
-7208	H22	SLES	1	16.0599	24.6079	-12.1404	HAL2	7206	0	0	0	0.09	
-7209	C3	SLES	1	14.0632	25.4947	-11.6786	CTL2	7206	7210	7211	7212	-0.18	
-7210	H31	SLES	1	13.8002	26.1351	-10.8074	HAL2	7209	0	0	0	0.09	
-7211	H32	SLES	1	13.5061	25.8728	-12.5588	HAL2	7209	0	0	0	0.09	
-7212	C4	SLES	1	13.605	24.007	-11.38	CTL2	7209	7213	7214	7215	-0.18	
-7213	H41	SLES	1	13.4618	23.8876	-10.2858	HAL2	7212	0	0	0	0.09	
-7214	H42	SLES	1	14.4072	23.3071	-11.6987	HAL2	7212	0	0	0	0.09	
-7215	C5	SLES	1	12.2511	23.6191	-12.1293	CTL2	7212	7216	7217	7218	-0.18	
-7216	H51	SLES	1	11.73	24.5505	-12.4429	HAL2	7215	0	0	0	0.09	
-7217	H52	SLES	1	12.4983	23.0394	-13.0479	HAL2	7215	0	0	0	0.09	
-7218	C6	SLES	1	11.276	22.7668	-11.2326	CTL2	7215	7219	7220	7221	-0.18	
-7219	H61	SLES	1	10.8376	23.4233	-10.4478	HAL2	7218	0	0	0	0.09	
-7220	H62	SLES	1	10.4414	22.3857	-11.8665	HAL2	7218	0	0	0	0.09	
-7221	C7	SLES	1	11.9862	21.5572	-10.5465	CTL2	7218	7222	7223	7224	-0.18	
-7222	H71	SLES	1	12.5202	21.9171	-9.63922	HAL2	7221	0	0	0	0.09	
-7223	H72	SLES	1	12.7423	21.1349	-11.2453	HAL2	7221	0	0	0	0.09	
-7224	C8	SLES	1	10.9966	20.438	-10.137	CTL2	7221	7225	7226	7227	-0.18	
-7225	H81	SLES	1	10.1182	20.8969	-9.62785	HAL2	7224	0	0	0	0.09	
-7226	H82	SLES	1	10.6317	19.9215	-11.054	HAL2	7224	0	0	0	0.09	
-7227	C9	SLES	1	11.6418	19.3945	-9.19094	CTL2	7224	7228	7229	7230	-0.18	
-7228	H91	SLES	1	12.0328	19.916	-8.28783	HAL2	7227	0	0	0	0.09	
-7229	H92	SLES	1	12.5024	18.9165	-9.71094	HAL2	7227	0	0	0	0.09	
-7230	C10	SLES	1	10.6467	18.2961	-8.74764	CTL2	7227	7231	7232	7233	-0.18	
-7231	H10	SLES	1	9.79706	18.7719	-8.20684	HAL2	7230	0	0	0	0.09	
-7232	H10	SLES	1	10.2386	17.789	-9.65117	HAL2	7230	0	0	0	0.09	
-7233	C11	SLES	1	11.3043	17.2358	-7.825	CTL2	7230	7234	7235	7236	-0.18	
-7234	H11	SLES	1	11.7048	17.7469	-6.91973	HAL2	7233	0	0	0	0.09	
-7235	H11	SLES	1	12.1642	16.7757	-8.36337	HAL2	7233	0	0	0	0.09	
-7236	C12	SLES	1	10.3359	16.1109	-7.37641	CTL3	7233	7237	7238	7239	-0.27	
-7237	H12	SLES	1	10.2571	16.0883	-6.26708	HAL3	7236	0	0	0	0.09	
-7238	H12	SLES	1	10.7046	15.1213	-7.72579	HAL3	7236	0	0	0	0.09	
-7239	H12	SLES	1	9.32213	16.281	-7.80016	HAL3	7236	0	0	0	0.09	
-7240	NA	SLES	1	12.5075	39.5367	-15.2479	NA	0	0	0	0	1	
-7241	S	SLES	1	9.60068	38.1627	-16.9837	SL	7242	7243	7244	7245	1.33	
-7242	OS1	SLES	1	10.4544	37.3605	-15.7858	OSL	7241	7246	0	0	-0.28	
-7243	OS2	SLES	1	9.1409	39.4039	-16.396	O2L	7241	0	0	0	-0.65	
-7244	OS3	SLES	1	10.5522	38.4406	-18.0392	O2L	7241	0	0	0	-0.65	
-7245	OS4	SLES	1	8.47105	37.4198	-17.519	O2L	7241	0	0	0	-0.65	
-7246	C2	SLES	1	9.73817	36.1164	-15.3865	CC32A	7242	7247	7248	7249	-0.11	
-7247	H2A	SLES	1	8.68309	36.3495	-15.0709	HCA2	7246	0	0	0	0.09	
-7248	H2B	SLES	1	9.70873	35.4216	-16.2712	HCA2	7246	0	0	0	0.09	
-7249	C1	SLES	1	10.5223	35.4187	-14.1765	CC32A	7246	7250	7251	7252	-0.01	
-7250	H1B	SLES	1	10.6301	36.1362	-13.3307	HCA2	7249	0	0	0	0.09	
-7251	H1A	SLES	1	11.5379	35.1049	-14.5131	HCA2	7249	0	0	0	0.09	
-7252	O1	SLES	1	9.96467	34.2168	-13.5265	OC30A	7249	7253	0	0	-0.34	
-7253	C2	SLES	1	8.95419	33.4953	-14.262	CC32A	7252	7254	7255	7256	-0.01	
-7254	H2A	SLES	1	8.16184	34.2621	-14.3678	HCA2	7253	0	0	0	0.09	
-7255	H2B	SLES	1	9.44071	33.3434	-15.2517	HCA2	7253	0	0	0	0.09	
-7256	C1	SLES	1	8.31844	32.1538	-13.7788	CC32A	7253	7257	7258	7259	-0.01	
-7257	H1B	SLES	1	7.4094	32.3656	-13.1748	HCA2	7256	0	0	0	0.09	
-7258	H1A	SLES	1	8.02599	31.5491	-14.6605	HCA2	7256	0	0	0	0.09	
-7259	O1	SLES	1	9.00222	31.2164	-12.8864	OC30A	7256	7260	0	0	-0.34	
-7260	C1	SLES	1	8.63171	29.8007	-13.067	CTL2	7259	7261	7262	7263	-0.18	
-7261	H11	SLES	1	7.7522	29.7767	-13.7356	HAL2	7260	0	0	0	0.09	
-7262	H12	SLES	1	9.51153	29.4152	-13.6225	HAL2	7260	0	0	0	0.09	
-7263	C2	SLES	1	8.35966	28.8961	-11.8005	CTL2	7260	7264	7265	7266	-0.18	
-7264	H21	SLES	1	8.45872	29.5162	-10.8816	HAL2	7263	0	0	0	0.09	
-7265	H22	SLES	1	9.12896	28.0943	-11.7571	HAL2	7263	0	0	0	0.09	
-7266	C3	SLES	1	6.90086	28.2255	-11.8255	CTL2	7263	7267	7268	7269	-0.18	
-7267	H31	SLES	1	6.2401	28.7713	-11.1157	HAL2	7266	0	0	0	0.09	
-7268	H32	SLES	1	6.47103	28.3331	-12.8413	HAL2	7266	0	0	0	0.09	
-7269	C4	SLES	1	6.91797	26.6896	-11.4343	CTL2	7266	7270	7271	7272	-0.18	
-7270	H41	SLES	1	6.57188	26.5818	-10.3852	HAL2	7269	0	0	0	0.09	
-7271	H42	SLES	1	7.96089	26.31	-11.4915	HAL2	7269	0	0	0	0.09	
-7272	C5	SLES	1	5.99137	25.8035	-12.3836	CTL2	7269	7273	7274	7275	-0.18	
-7273	H51	SLES	1	5.27406	26.4681	-12.9139	HAL2	7272	0	0	0	0.09	
-7274	H52	SLES	1	6.62818	25.3062	-13.1504	HAL2	7272	0	0	0	0.09	
-7275	C6	SLES	1	5.18202	24.7037	-11.5983	CTL2	7272	7276	7277	7278	-0.18	
-7276	H61	SLES	1	4.37628	25.1971	-11.0098	HAL2	7275	0	0	0	0.09	
-7277	H62	SLES	1	4.69924	24.0166	-12.332	HAL2	7275	0	0	0	0.09	
-7278	C7	SLES	1	6.07874	23.8667	-10.6321	CTL2	7275	7279	7280	7281	-0.18	
-7279	H71	SLES	1	6.23085	24.4397	-9.69063	HAL2	7278	0	0	0	0.09	
-7280	H72	SLES	1	7.07446	23.7101	-11.1036	HAL2	7278	0	0	0	0.09	
-7281	C8	SLES	1	5.46079	22.4885	-10.288	CTL2	7278	7282	7283	7284	-0.18	
-7282	H81	SLES	1	4.38564	22.6257	-10.0299	HAL2	7281	0	0	0	0.09	
-7283	H82	SLES	1	5.51818	21.83	-11.1845	HAL2	7281	0	0	0	0.09	
-7284	C9	SLES	1	6.18117	21.7959	-9.10407	CTL2	7281	7285	7286	7287	-0.18	
-7285	H91	SLES	1	6.14911	22.4678	-8.21641	HAL2	7284	0	0	0	0.09	
-7286	H92	SLES	1	7.24913	21.634	-9.37378	HAL2	7284	0	0	0	0.09	
-7287	C10	SLES	1	5.54322	20.4368	-8.73096	CTL2	7284	7288	7289	7290	-0.18	
-7288	H10	SLES	1	4.4811	20.6017	-8.43856	HAL2	7287	0	0	0	0.09	
-7289	H10	SLES	1	5.55486	19.7722	-9.62434	HAL2	7287	0	0	0	0.09	
-7290	C11	SLES	1	6.28601	19.7318	-7.56511	CTL2	7287	7291	7292	7293	-0.18	
-7291	H11	SLES	1	6.26565	20.3976	-6.67208	HAL2	7290	0	0	0	0.09	
-7292	H11	SLES	1	7.35155	19.5854	-7.85512	HAL2	7290	0	0	0	0.09	
-7293	C12	SLES	1	5.68013	18.3579	-7.17805	CTL3	7290	7294	7295	7296	-0.27	
-7294	H12	SLES	1	5.35636	18.3643	-6.11387	HAL3	7293	0	0	0	0.09	
-7295	H12	SLES	1	6.43354	17.551	-7.31448	HAL3	7293	0	0	0	0.09	
-7296	H12	SLES	1	4.79799	18.1304	-7.8154	HAL3	7293	0	0	0	0.09	
-7297	NA	SLES	1	1.32835	41.5867	-14.8615	NA	0	0	0	0	1	
-7298	S	SLES	1	-0.419184	39.2956	-17.1081	SL	7299	7300	7301	7302	1.33	
-7299	OS1	SLES	1	0.346336	38.8323	-15.6916	OSL	7298	7303	0	0	-0.28	
-7300	OS2	SLES	1	-1.40597	40.2873	-16.7335	O2L	7298	0	0	0	-0.65	
-7301	OS3	SLES	1	0.600528	39.9044	-17.9365	O2L	7298	0	0	0	-0.65	
-7302	OS4	SLES	1	-1.05939	38.2082	-17.8306	O2L	7298	0	0	0	-0.65	
-7303	C2	SLES	1	0.0309875	37.4107	-15.3756	CC32A	7299	7304	7305	7306	-0.11	
-7304	H2A	SLES	1	-1.08243	37.2524	-15.3267	HCA2	7303	0	0	0	0.09	
-7305	H2B	SLES	1	0.455982	36.761	-16.1901	HCA2	7303	0	0	0	0.09	
-7306	C1	SLES	1	0.694373	37.0204	-13.9708	CC32A	7303	7307	7308	7309	-0.01	
-7307	H1B	SLES	1	0.341925	37.7195	-13.1778	HCA2	7306	0	0	0	0.09	
-7308	H1A	SLES	1	1.80483	37.0896	-14.0432	HCA2	7306	0	0	0	0.09	
-7309	O1	SLES	1	0.448382	35.6913	-13.3784	OC30A	7306	7310	0	0	-0.34	
-7310	C2	SLES	1	-0.0432398	34.6683	-14.2697	CC32A	7309	7311	7312	7313	-0.01	
-7311	H2A	SLES	1	-1.00194	35.107	-14.6093	HCA2	7310	0	0	0	0.09	
-7312	H2B	SLES	1	0.687401	34.71	-15.1086	HCA2	7310	0	0	0	0.09	
-7313	C1	SLES	1	-0.271905	33.183	-13.8468	CC32A	7310	7314	7315	7316	-0.01	
-7314	H1B	SLES	1	-1.31438	33.0528	-13.4831	HCA2	7313	0	0	0	0.09	
-7315	H1A	SLES	1	-0.117396	32.5246	-14.725	HCA2	7313	0	0	0	0.09	
-7316	O1	SLES	1	0.459182	32.5368	-12.7556	OC30A	7313	7317	0	0	-0.34	
-7317	C1	SLES	1	0.655529	31.0838	-12.9113	CTL2	7316	7318	7319	7320	-0.18	
-7318	H11	SLES	1	0.0256561	30.7588	-13.7591	HAL2	7317	0	0	0	0.09	
-7319	H12	SLES	1	1.71994	31.0407	-13.2218	HAL2	7317	0	0	0	0.09	
-7320	C2	SLES	1	0.418546	30.1262	-11.6771	CTL2	7317	7321	7322	7323	-0.18	
-7321	H21	SLES	1	0.0743478	30.7302	-10.8079	HAL2	7320	0	0	0	0.09	
-7322	H22	SLES	1	1.38337	29.6474	-11.4008	HAL2	7320	0	0	0	0.09	
-7323	C3	SLES	1	-0.667353	28.984	-11.9845	CTL2	7320	7324	7325	7326	-0.18	
-7324	H31	SLES	1	-1.6253	29.2526	-11.486	HAL2	7323	0	0	0	0.09	
-7325	H32	SLES	1	-0.851682	28.9451	-13.0766	HAL2	7323	0	0	0	0.09	
-7326	C4	SLES	1	-0.214457	27.5485	-11.4879	CTL2	7323	7327	7328	7329	-0.18	
-7327	H41	SLES	1	-0.7421	27.3128	-10.5401	HAL2	7326	0	0	0	0.09	
-7328	H42	SLES	1	0.876737	27.5625	-11.2778	HAL2	7326	0	0	0	0.09	
-7329	C5	SLES	1	-0.521962	26.4038	-12.5555	CTL2	7326	7330	7331	7332	-0.18	
-7330	H51	SLES	1	-1.27573	26.7785	-13.2827	HAL2	7329	0	0	0	0.09	
-7331	H52	SLES	1	0.411157	26.1727	-13.1183	HAL2	7329	0	0	0	0.09	
-7332	C6	SLES	1	-1.06393	25.0796	-11.8966	CTL2	7329	7333	7334	7335	-0.18	
-7333	H61	SLES	1	-2.10634	25.2495	-11.5451	HAL2	7332	0	0	0	0.09	
-7334	H62	SLES	1	-1.08904	24.2751	-12.6684	HAL2	7332	0	0	0	0.09	
-7335	C7	SLES	1	-0.191986	24.6017	-10.6926	CTL2	7332	7336	7337	7338	-0.18	
-7336	H71	SLES	1	-0.477143	25.1801	-9.786	HAL2	7335	0	0	0	0.09	
-7337	H72	SLES	1	0.878391	24.8125	-10.912	HAL2	7335	0	0	0	0.09	
-7338	C8	SLES	1	-0.35857	23.09	-10.398	CTL2	7335	7339	7340	7341	-0.18	
-7339	H81	SLES	1	-1.44328	22.8355	-10.4025	HAL2	7338	0	0	0	0.09	
-7340	H82	SLES	1	0.135495	22.5051	-11.2069	HAL2	7338	0	0	0	0.09	
-7341	C9	SLES	1	0.251377	22.6823	-9.03344	CTL2	7338	7342	7343	7344	-0.18	
-7342	H91	SLES	1	-0.222203	23.2888	-8.22829	HAL2	7341	0	0	0	0.09	
-7343	H92	SLES	1	1.34089	22.9113	-9.04006	HAL2	7341	0	0	0	0.09	
-7344	C10	SLES	1	0.0531101	21.1811	-8.7166	CTL2	7341	7345	7346	7347	-0.18	
-7345	H10	SLES	1	-1.03754	20.9567	-8.68684	HAL2	7344	0	0	0	0.09	
-7346	H10	SLES	1	0.507048	20.5742	-9.53248	HAL2	7344	0	0	0	0.09	
-7347	C11	SLES	1	0.692018	20.7699	-7.36358	CTL2	7344	7348	7349	7350	-0.18	
-7348	H11	SLES	1	0.229882	21.3747	-6.55012	HAL2	7347	0	0	0	0.09	
-7349	H11	SLES	1	1.77883	21.0127	-7.39161	HAL2	7347	0	0	0	0.09	
-7350	C12	SLES	1	0.524628	19.266	-7.02481	CTL3	7347	7351	7352	7353	-0.27	
-7351	H12	SLES	1	-0.0258133	19.1448	-6.06582	HAL3	7350	0	0	0	0.09	
-7352	H12	SLES	1	1.51981	18.7789	-6.92628	HAL3	7350	0	0	0	0.09	
-7353	H12	SLES	1	-0.0447754	18.7493	-7.8279	HAL3	7350	0	0	0	0.09	
-7354	NA	SLES	1	-10.0968	40.455	-14.6126	NA	0	0	0	0	1	
-7355	S	SLES	1	-10.3614	37.8729	-17.1842	SL	7356	7357	7358	7359	1.33	
-7356	OS1	SLES	1	-9.82591	37.6	-15.6202	OSL	7355	7360	0	0	-0.28	
-7357	OS2	SLES	1	-11.6924	38.4319	-17.0684	O2L	7355	0	0	0	-0.65	
-7358	OS3	SLES	1	-9.46238	38.8557	-17.752	O2L	7355	0	0	0	-0.65	
-7359	OS4	SLES	1	-10.3936	36.6874	-18.0257	O2L	7355	0	0	0	-0.65	
-7360	C2	SLES	1	-9.68194	36.1378	-15.3717	CC32A	7356	7361	7362	7363	-0.11	
-7361	H2A	SLES	1	-10.6474	35.6012	-15.5885	HCA2	7360	0	0	0	0.09	
-7362	H2B	SLES	1	-8.88123	35.7369	-16.0531	HCA2	7360	0	0	0	0.09	
-7363	C1	SLES	1	-9.26221	35.8987	-13.8444	CC32A	7360	7364	7365	7366	-0.01	
-7364	H1B	SLES	1	-10.0096	36.3726	-13.1672	HCA2	7363	0	0	0	0.09	
-7365	H1A	SLES	1	-8.26257	36.3527	-13.65	HCA2	7363	0	0	0	0.09	
-7366	O1	SLES	1	-9.15097	34.5268	-13.3121	OC30A	7363	7367	0	0	-0.34	
-7367	C2	SLES	1	-9.03265	33.4654	-14.2827	CC32A	7366	7368	7369	7370	-0.01	
-7368	H2A	SLES	1	-9.98011	33.5694	-14.8469	HCA2	7367	0	0	0	0.09	
-7369	H2B	SLES	1	-8.19325	33.8186	-14.923	HCA2	7367	0	0	0	0.09	
-7370	C1	SLES	1	-8.81188	31.9658	-13.9089	CC32A	7367	7371	7372	7373	-0.01	
-7371	H1B	SLES	1	-9.79469	31.4569	-13.8034	HCA2	7370	0	0	0	0.09	
-7372	H1A	SLES	1	-8.23903	31.4679	-14.7167	HCA2	7370	0	0	0	0.09	
-7373	O1	SLES	1	-8.16891	31.5338	-12.6668	OC30A	7370	7374	0	0	-0.34	
-7374	C1	SLES	1	-7.44208	30.2539	-12.7535	CTL2	7373	7375	7376	7377	-0.18	
-7375	H11	SLES	1	-7.70564	29.7945	-13.7234	HAL2	7374	0	0	0	0.09	
-7376	H12	SLES	1	-6.39026	30.6043	-12.8	HAL2	7374	0	0	0	0.09	
-7377	C2	SLES	1	-7.6001	29.1855	-11.6004	CTL2	7374	7378	7379	7380	-0.18	
-7378	H21	SLES	1	-8.3238	29.5676	-10.846	HAL2	7377	0	0	0	0.09	
-7379	H22	SLES	1	-6.61849	29.0507	-11.0956	HAL2	7377	0	0	0	0.09	
-7380	C3	SLES	1	-8.11194	27.7641	-12.1447	CTL2	7377	7381	7382	7383	-0.18	
-7381	H31	SLES	1	-9.18963	27.6477	-11.893	HAL2	7380	0	0	0	0.09	
-7382	H32	SLES	1	-8.01663	27.7443	-13.2486	HAL2	7380	0	0	0	0.09	
-7383	C4	SLES	1	-7.30715	26.5413	-11.5369	CTL2	7380	7384	7385	7386	-0.18	
-7384	H41	SLES	1	-7.91861	26.0688	-10.7401	HAL2	7383	0	0	0	0.09	
-7385	H42	SLES	1	-6.36983	26.9162	-11.0722	HAL2	7383	0	0	0	0.09	
-7386	C5	SLES	1	-6.9386	25.4427	-12.6332	CTL2	7383	7387	7388	7389	-0.18	
-7387	H51	SLES	1	-7.5892	25.5861	-13.524	HAL2	7386	0	0	0	0.09	
-7388	H52	SLES	1	-5.88203	25.5904	-12.9538	HAL2	7386	0	0	0	0.09	
-7389	C6	SLES	1	-7.11279	23.9681	-12.1071	CTL2	7386	7390	7391	7392	-0.18	
-7390	H61	SLES	1	-8.19877	23.7409	-12.0171	HAL2	7389	0	0	0	0.09	
-7391	H62	SLES	1	-6.67559	23.2637	-12.8528	HAL2	7389	0	0	0	0.09	
-7392	C7	SLES	1	-6.42714	23.7339	-10.7239	CTL2	7389	7393	7394	7395	-0.18	
-7393	H71	SLES	1	-7.09674	24.1098	-9.91882	HAL2	7392	0	0	0	0.09	
-7394	H72	SLES	1	-5.48039	24.3173	-10.6835	HAL2	7392	0	0	0	0.09	
-7395	C8	SLES	1	-6.11151	22.2406	-10.4595	CTL2	7392	7396	7397	7398	-0.18	
-7396	H81	SLES	1	-7.00483	21.6279	-10.7201	HAL2	7395	0	0	0	0.09	
-7397	H82	SLES	1	-5.27229	21.9237	-11.1197	HAL2	7395	0	0	0	0.09	
-7398	C9	SLES	1	-5.72498	21.9697	-8.98385	CTL2	7395	7399	7400	7401	-0.18	
-7399	H91	SLES	1	-6.55236	22.3142	-8.32267	HAL2	7398	0	0	0	0.09	
-7400	H92	SLES	1	-4.81575	22.561	-8.73253	HAL2	7398	0	0	0	0.09	
-7401	C10	SLES	1	-5.44684	20.4735	-8.70556	CTL2	7398	7402	7403	7404	-0.18	
-7402	H10	SLES	1	-6.36399	19.8844	-8.93475	HAL2	7401	0	0	0	0.09	
-7403	H10	SLES	1	-4.6347	20.1227	-9.38185	HAL2	7401	0	0	0	0.09	
-7404	C11	SLES	1	-5.03017	20.2102	-7.23416	CTL2	7401	7405	7406	7407	-0.18	
-7405	H11	SLES	1	-5.84847	20.5565	-6.56214	HAL2	7404	0	0	0	0.09	
-7406	H11	SLES	1	-4.1234	20.8152	-7.00442	HAL2	7404	0	0	0	0.09	
-7407	C12	SLES	1	-4.72806	18.7206	-6.92715	CTL3	7404	7408	7409	7410	-0.27	
-7408	H12	SLES	1	-5.40321	18.3464	-6.12621	HAL3	7407	0	0	0	0.09	
-7409	H12	SLES	1	-3.67547	18.6017	-6.58765	HAL3	7407	0	0	0	0.09	
-7410	H12	SLES	1	-4.87925	18.0995	-7.83681	HAL3	7407	0	0	0	0.09	
-7411	NA	SLES	1	-20.814	36.1674	-14.5182	NA	0	0	0	0	1	
-7412	S	SLES	1	-19.6092	34.0062	-17.2067	SL	7413	7414	7415	7416	1.33	
-7413	OS1	SLES	1	-19.3376	33.7302	-15.5765	OSL	7412	7417	0	0	-0.28	
-7414	OS2	SLES	1	-21.0463	34.0606	-17.3778	O2L	7412	0	0	0	-0.65	
-7415	OS3	SLES	1	-19.0295	35.3006	-17.4982	O2L	7412	0	0	0	-0.65	
-7416	OS4	SLES	1	-19.0429	33.0001	-18.0908	O2L	7412	0	0	0	-0.65	
-7417	C2	SLES	1	-18.7304	32.3844	-15.375	CC32A	7413	7418	7419	7420	-0.11	
-7418	H2A	SLES	1	-19.3735	31.5852	-15.8386	HCA2	7417	0	0	0	0.09	
-7419	H2B	SLES	1	-17.7196	32.371	-15.8694	HCA2	7417	0	0	0	0.09	
-7420	C1	SLES	1	-18.569	32.1055	-13.806	CC32A	7417	7421	7422	7423	-0.01	
-7421	H1B	SLES	1	-19.5567	32.2055	-13.2996	HCA2	7420	0	0	0	0.09	
-7422	H1A	SLES	1	-17.8606	32.8422	-13.3604	HCA2	7420	0	0	0	0.09	
-7423	O1	SLES	1	-18.0812	30.7958	-13.332	OC30A	7420	7424	0	0	-0.34	
-7424	C2	SLES	1	-17.3965	29.9732	-14.3	CC32A	7423	7425	7426	7427	-0.01	
-7425	H2A	SLES	1	-18.1837	29.822	-15.0644	HCA2	7424	0	0	0	0.09	
-7426	H2B	SLES	1	-16.63	30.6702	-14.7075	HCA2	7424	0	0	0	0.09	
-7427	C1	SLES	1	-16.731	28.6023	-13.9608	CC32A	7424	7428	7429	7430	-0.01	
-7428	H1B	SLES	1	-17.4647	27.7811	-14.114	HCA2	7427	0	0	0	0.09	
-7429	H1A	SLES	1	-15.8676	28.4376	-14.636	HCA2	7427	0	0	0	0.09	
-7430	O1	SLES	1	-16.2395	28.2564	-12.626	OC30A	7427	7431	0	0	-0.34	
-7431	C1	SLES	1	-15.0994	27.3216	-12.6044	CTL2	7430	7432	7433	7434	-0.18	
-7432	H11	SLES	1	-14.9793	26.9303	-13.6308	HAL2	7431	0	0	0	0.09	
-7433	H12	SLES	1	-14.2578	28.0109	-12.3857	HAL2	7431	0	0	0	0.09	
-7434	C2	SLES	1	-15.0909	26.1227	-11.5755	CTL2	7431	7435	7436	7437	-0.18	
-7435	H21	SLES	1	-16.0395	26.1352	-10.9933	HAL2	7434	0	0	0	0.09	
-7436	H22	SLES	1	-14.2496	26.2644	-10.8623	HAL2	7434	0	0	0	0.09	
-7437	C3	SLES	1	-14.9366	24.6956	-12.2952	CTL2	7434	7438	7439	7440	-0.18	
-7438	H31	SLES	1	-15.9272	24.1889	-12.309	HAL2	7437	0	0	0	0.09	
-7439	H32	SLES	1	-14.6207	24.853	-13.3457	HAL2	7437	0	0	0	0.09	
-7440	C4	SLES	1	-13.8856	23.7502	-11.5781	CTL2	7437	7441	7442	7443	-0.18	
-7441	H41	SLES	1	-14.433	22.999	-10.9714	HAL2	7440	0	0	0	0.09	
-7442	H42	SLES	1	-13.2599	24.3569	-10.8887	HAL2	7440	0	0	0	0.09	
-7443	C5	SLES	1	-12.9342	22.9941	-12.6115	CTL2	7440	7444	7445	7446	-0.18	
-7444	H51	SLES	1	-13.3995	23.0229	-13.6215	HAL2	7443	0	0	0	0.09	
-7445	H52	SLES	1	-11.9602	23.5318	-12.668	HAL2	7443	0	0	0	0.09	
-7446	C6	SLES	1	-12.6683	21.4928	-12.2156	CTL2	7443	7447	7448	7449	-0.18	
-7447	H61	SLES	1	-13.5941	20.9011	-12.3938	HAL2	7446	0	0	0	0.09	
-7448	H62	SLES	1	-11.8666	21.0816	-12.8726	HAL2	7446	0	0	0	0.09	
-7449	C7	SLES	1	-12.2374	21.3273	-10.7238	CTL2	7446	7450	7451	7452	-0.18	
-7450	H71	SLES	1	-13.1446	21.3458	-10.08	HAL2	7449	0	0	0	0.09	
-7451	H72	SLES	1	-11.5928	22.1867	-10.4337	HAL2	7449	0	0	0	0.09	
-7452	C8	SLES	1	-11.4658	20.0087	-10.4683	CTL2	7449	7453	7454	7455	-0.18	
-7453	H81	SLES	1	-12.0069	19.1687	-10.9613	HAL2	7452	0	0	0	0.09	
-7454	H82	SLES	1	-10.4544	20.0838	-10.9288	HAL2	7452	0	0	0	0.09	
-7455	C9	SLES	1	-11.3129	19.6955	-8.9587	CTL2	7452	7456	7457	7458	-0.18	
-7456	H91	SLES	1	-12.3236	19.6499	-8.49312	HAL2	7455	0	0	0	0.09	
-7457	H92	SLES	1	-10.7477	20.5222	-8.47213	HAL2	7455	0	0	0	0.09	
-7458	C10	SLES	1	-10.5772	18.3597	-8.69858	CTL2	7455	7459	7460	7461	-0.18	
-7459	H10	SLES	1	-11.1548	17.5295	-9.1654	HAL2	7458	0	0	0	0.09	
-7460	H10	SLES	1	-9.57505	18.3962	-9.18271	HAL2	7458	0	0	0	0.09	
-7461	C11	SLES	1	-10.3987	18.0644	-7.18566	CTL2	7458	7462	7463	7464	-0.18	
-7462	H11	SLES	1	-11.4039	18.0221	-6.70735	HAL2	7461	0	0	0	0.09	
-7463	H11	SLES	1	-9.83629	18.9057	-6.71994	HAL2	7461	0	0	0	0.09	
-7464	C12	SLES	1	-9.6493	16.7391	-6.89172	CTL3	7461	7465	7466	7467	-0.27	
-7465	H12	SLES	1	-10.2909	16.0573	-6.29092	HAL3	7464	0	0	0	0.09	
-7466	H12	SLES	1	-8.71572	16.9411	-6.32167	HAL3	7464	0	0	0	0.09	
-7467	H12	SLES	1	-9.38073	16.2273	-7.84153	HAL3	7464	0	0	0	0.09	
-7468	NA	SLES	1	-29.9153	29.0593	-14.5848	NA	0	0	0	0	1	
-7469	S	SLES	1	-27.5924	27.9413	-17.1742	SL	7470	7471	7472	7473	1.33	
-7470	OS1	SLES	1	-27.5046	27.4876	-15.5636	OSL	7469	7474	0	0	-0.28	
-7471	OS2	SLES	1	-28.9035	27.54	-17.6405	O2L	7469	0	0	0	-0.65	
-7472	OS3	SLES	1	-27.4841	29.3851	-17.1923	O2L	7469	0	0	0	-0.65	
-7473	OS4	SLES	1	-26.5652	27.3575	-18.0216	O2L	7469	0	0	0	-0.65	
-7474	C2	SLES	1	-26.4906	26.4103	-15.3854	CC32A	7470	7475	7476	7477	-0.11	
-7475	H2A	SLES	1	-26.7158	25.5375	-16.0597	HCA2	7474	0	0	0	0.09	
-7476	H2B	SLES	1	-25.4788	26.8247	-15.6514	HCA2	7474	0	0	0	0.09	
-7477	C1	SLES	1	-26.4931	25.9277	-13.8581	CC32A	7474	7478	7479	7480	-0.01	
-7478	H1B	SLES	1	-27.517	25.5991	-13.566	HCA2	7477	0	0	0	0.09	
-7479	H1A	SLES	1	-26.1823	26.7677	-13.1941	HCA2	7477	0	0	0	0.09	
-7480	O1	SLES	1	-25.6455	24.7954	-13.4368	OC30A	7477	7481	0	0	-0.34	
-7481	C2	SLES	1	-24.5627	24.4359	-14.3206	CC32A	7480	7482	7483	7484	-0.01	
-7482	H2A	SLES	1	-25.1074	24.1678	-15.247	HCA2	7481	0	0	0	0.09	
-7483	H2B	SLES	1	-24.0472	25.4102	-14.4767	HCA2	7481	0	0	0	0.09	
-7484	C1	SLES	1	-23.5082	23.3305	-13.999	CC32A	7481	7485	7486	7487	-0.01	
-7485	H1B	SLES	1	-23.8583	22.3519	-14.3937	HCA2	7484	0	0	0	0.09	
-7486	H1A	SLES	1	-22.5476	23.5877	-14.4885	HCA2	7484	0	0	0	0.09	
-7487	O1	SLES	1	-23.1458	22.9383	-12.636	OC30A	7484	7488	0	0	-0.34	
-7488	C1	SLES	1	-21.7633	22.452	-12.4741	CTL2	7487	7489	7490	7491	-0.18	
-7489	H11	SLES	1	-21.346	22.3125	-13.4877	HAL2	7488	0	0	0	0.09	
-7490	H12	SLES	1	-21.2766	23.3331	-12.0071	HAL2	7488	0	0	0	0.09	
-7491	C2	SLES	1	-21.4849	21.1629	-11.6041	CTL2	7488	7492	7493	7494	-0.18	
-7492	H21	SLES	1	-22.4533	20.7529	-11.2396	HAL2	7491	0	0	0	0.09	
-7493	H22	SLES	1	-20.8788	21.4495	-10.7169	HAL2	7491	0	0	0	0.09	
-7494	C3	SLES	1	-20.7089	20.0221	-12.4257	CTL2	7491	7495	7496	7497	-0.18	
-7495	H31	SLES	1	-21.4316	19.2235	-12.7055	HAL2	7494	0	0	0	0.09	
-7496	H32	SLES	1	-20.3076	20.4603	-13.3612	HAL2	7494	0	0	0	0.09	
-7497	C4	SLES	1	-19.516	19.3726	-11.6087	CTL2	7494	7498	7499	7500	-0.18	
-7498	H41	SLES	1	-19.8427	18.3862	-11.2182	HAL2	7497	0	0	0	0.09	
-7499	H42	SLES	1	-19.273	20.0214	-10.7398	HAL2	7497	0	0	0	0.09	
-7500	C5	SLES	1	-18.2022	19.1757	-12.4918	CTL2	7497	7501	7502	7503	-0.18	
-7501	H51	SLES	1	-18.4775	19.2257	-13.5684	HAL2	7500	0	0	0	0.09	
-7502	H52	SLES	1	-17.4947	20.0098	-12.2804	HAL2	7500	0	0	0	0.09	
-7503	C6	SLES	1	-17.476	17.8056	-12.2146	CTL2	7500	7504	7505	7506	-0.18	
-7504	H61	SLES	1	-18.082	16.9793	-12.6495	HAL2	7503	0	0	0	0.09	
-7505	H62	SLES	1	-16.4854	17.8107	-12.7265	HAL2	7503	0	0	0	0.09	
-7506	C7	SLES	1	-17.26	17.5321	-10.6924	CTL2	7503	7507	7508	7509	-0.18	
-7507	H71	SLES	1	-18.2026	17.1305	-10.2587	HAL2	7506	0	0	0	0.09	
-7508	H72	SLES	1	-17.0274	18.4919	-10.1796	HAL2	7506	0	0	0	0.09	
-7509	C8	SLES	1	-16.1137	16.5254	-10.4238	CTL2	7506	7510	7511	7512	-0.18	
-7510	H81	SLES	1	-16.2258	15.6544	-11.1094	HAL2	7509	0	0	0	0.09	
-7511	H82	SLES	1	-15.1389	17.0159	-10.6472	HAL2	7509	0	0	0	0.09	
-7512	C9	SLES	1	-16.1019	16.0189	-8.95969	CTL2	7509	7513	7514	7515	-0.18	
-7513	H91	SLES	1	-17.0875	15.5551	-8.72801	HAL2	7512	0	0	0	0.09	
-7514	H92	SLES	1	-15.9618	16.8869	-8.27661	HAL2	7512	0	0	0	0.09	
-7515	C10	SLES	1	-14.983	14.9836	-8.69613	CTL2	7512	7516	7517	7518	-0.18	
-7516	H10	SLES	1	-15.1364	14.1047	-9.36307	HAL2	7515	0	0	0	0.09	
-7517	H10	SLES	1	-13.9989	15.4394	-8.94864	HAL2	7515	0	0	0	0.09	
-7518	C11	SLES	1	-14.9548	14.5016	-7.2214	CTL2	7515	7519	7520	7521	-0.18	
-7519	H11	SLES	1	-15.9387	14.0403	-6.97583	HAL2	7518	0	0	0	0.09	
-7520	H11	SLES	1	-14.8193	15.3858	-6.55757	HAL2	7518	0	0	0	0.09	
-7521	C12	SLES	1	-13.8326	13.4745	-6.92094	CTL3	7518	7522	7523	7524	-0.27	
-7522	H12	SLES	1	-14.27	12.5219	-6.54873	HAL3	7521	0	0	0	0.09	
-7523	H12	SLES	1	-13.1408	13.8733	-6.14647	HAL3	7521	0	0	0	0.09	
-7524	H12	SLES	1	-13.2476	13.2598	-7.84173	HAL3	7521	0	0	0	0.09	
-7525	NA	SLES	1	-36.6482	19.7414	-14.8077	NA	0	0	0	0	1	
-7526	S	SLES	1	-33.8102	20.0464	-17.0887	SL	7527	7528	7529	7530	1.33	
-7527	OS1	SLES	1	-33.7398	19.3162	-15.5823	OSL	7526	7531	0	0	-0.28	
-7528	OS2	SLES	1	-34.8264	19.3378	-17.8388	O2L	7526	0	0	0	-0.65	
-7529	OS3	SLES	1	-34.2328	21.4115	-16.8553	O2L	7526	0	0	0	-0.65	
-7530	OS4	SLES	1	-32.5551	20.0357	-17.8229	O2L	7526	0	0	0	-0.65	
-7531	C2	SLES	1	-32.4295	18.6298	-15.4022	CC32A	7527	7532	7533	7534	-0.11	
-7532	H2A	SLES	1	-32.247	17.897	-16.237	HCA2	7531	0	0	0	0.09	
-7533	H2B	SLES	1	-31.615	19.4061	-15.4142	HCA2	7531	0	0	0	0.09	
-7534	C1	SLES	1	-32.423	17.8606	-13.9972	CC32A	7531	7535	7536	7537	-0.01	
-7535	H1B	SLES	1	-33.2828	17.1533	-13.9482	HCA2	7534	0	0	0	0.09	
-7536	H1A	SLES	1	-32.5133	18.5942	-13.1624	HCA2	7534	0	0	0	0.09	
-7537	O1	SLES	1	-31.2733	17.0161	-13.6194	OC30A	7534	7538	0	0	-0.34	
-7538	C2	SLES	1	-30.0444	17.2377	-14.3429	CC32A	7537	7539	7540	7541	-0.01	
-7539	H2A	SLES	1	-30.3498	17.0064	-15.3821	HCA2	7538	0	0	0	0.09	
-7540	H2B	SLES	1	-29.9046	18.3379	-14.2465	HCA2	7538	0	0	0	0.09	
-7541	C1	SLES	1	-28.7021	16.5084	-14.0209	CC32A	7538	7542	7543	7544	-0.01	
-7542	H1B	SLES	1	-28.6272	15.5771	-14.6234	HCA2	7541	0	0	0	0.09	
-7543	H1A	SLES	1	-27.8534	17.1709	-14.2842	HCA2	7541	0	0	0	0.09	
-7544	O1	SLES	1	-28.3729	15.9796	-12.6962	OC30A	7541	7545	0	0	-0.34	
-7545	C1	SLES	1	-26.9348	15.9625	-12.3715	CTL2	7544	7546	7547	7548	-0.18	
-7546	H11	SLES	1	-26.3873	16.1904	-13.304	HAL2	7545	0	0	0	0.09	
-7547	H12	SLES	1	-26.8557	16.8348	-11.6902	HAL2	7545	0	0	0	0.09	
-7548	C2	SLES	1	-26.3035	14.6875	-11.6844	CTL2	7545	7549	7550	7551	-0.18	
-7549	H21	SLES	1	-27.0903	13.9088	-11.5683	HAL2	7548	0	0	0	0.09	
-7550	H22	SLES	1	-25.9438	14.9647	-10.6693	HAL2	7548	0	0	0	0.09	
-7551	C3	SLES	1	-25.0813	14.076	-12.5274	CTL2	7548	7552	7553	7554	-0.18	
-7552	H31	SLES	1	-25.4291	13.1604	-13.0557	HAL2	7551	0	0	0	0.09	
-7553	H32	SLES	1	-24.7672	14.812	-13.2941	HAL2	7551	0	0	0	0.09	
-7554	C4	SLES	1	-23.8308	13.7059	-11.6266	CTL2	7551	7555	7556	7557	-0.18	
-7555	H41	SLES	1	-23.8171	12.608	-11.4639	HAL2	7554	0	0	0	0.09	
-7556	H42	SLES	1	-23.9366	14.1976	-10.6356	HAL2	7554	0	0	0	0.09	
-7557	C5	SLES	1	-22.4473	14.154	-12.2823	CTL2	7554	7558	7559	7560	-0.18	
-7558	H51	SLES	1	-22.6026	14.337	-13.3685	HAL2	7557	0	0	0	0.09	
-7559	H52	SLES	1	-22.119	15.1117	-11.8175	HAL2	7557	0	0	0	0.09	
-7560	C6	SLES	1	-21.3077	13.0812	-12.1041	CTL2	7557	7561	7562	7563	-0.18	
-7561	H61	SLES	1	-21.5205	12.2124	-12.7667	HAL2	7560	0	0	0	0.09	
-7562	H62	SLES	1	-20.3372	13.5273	-12.4244	HAL2	7560	0	0	0	0.09	
-7563	C7	SLES	1	-21.1745	12.5783	-10.6318	CTL2	7560	7564	7565	7566	-0.18	
-7564	H71	SLES	1	-21.9479	11.8013	-10.4426	HAL2	7563	0	0	0	0.09	
-7565	H72	SLES	1	-21.3641	13.4278	-9.93851	HAL2	7563	0	0	0	0.09	
-7566	C8	SLES	1	-19.7774	11.9818	-10.3291	CTL2	7563	7567	7568	7569	-0.18	
-7567	H81	SLES	1	-19.4896	11.2909	-11.1545	HAL2	7566	0	0	0	0.09	
-7568	H82	SLES	1	-19.0295	12.8064	-10.294	HAL2	7566	0	0	0	0.09	
-7569	C9	SLES	1	-19.7421	11.2089	-8.98675	CTL2	7566	7570	7571	7572	-0.18	
-7570	H91	SLES	1	-20.5107	10.4033	-9.01135	HAL2	7569	0	0	0	0.09	
-7571	H92	SLES	1	-20.0025	11.9068	-8.15931	HAL2	7569	0	0	0	0.09	
-7572	C10	SLES	1	-18.3594	10.5779	-8.69839	CTL2	7569	7573	7574	7575	-0.18	
-7573	H10	SLES	1	-18.109	9.86206	-9.51429	HAL2	7572	0	0	0	0.09	
-7574	H10	SLES	1	-17.587	11.3801	-8.69559	HAL2	7572	0	0	0	0.09	
-7575	C11	SLES	1	-18.319	9.83078	-7.33892	CTL2	7572	7576	7577	7578	-0.18	
-7576	H11	SLES	1	-19.0885	9.02521	-7.3493	HAL2	7575	0	0	0	0.09	
-7577	H11	SLES	1	-18.5875	10.5462	-6.52835	HAL2	7575	0	0	0	0.09	
-7578	C12	SLES	1	-16.9402	9.20063	-7.0128	CTL3	7575	7579	7580	7581	-0.27	
-7579	H12	SLES	1	-17.0393	8.10043	-6.88207	HAL3	7578	0	0	0	0.09	
-7580	H12	SLES	1	-16.5297	9.63357	-6.07397	HAL3	7578	0	0	0	0.09	
-7581	H12	SLES	1	-16.2205	9.39604	-7.8374	HAL3	7578	0	0	0	0.09	
-7582	NA	SLES	1	-40.5026	9.02423	-15.1718	NA	0	0	0	0	1	
-7583	S	SLES	1	-37.8535	10.7986	-16.9563	SL	7584	7585	7586	7587	1.33	
-7584	OS1	SLES	1	-37.6009	9.80455	-15.6313	OSL	7583	7588	0	0	-0.28	
-7585	OS2	SLES	1	-38.5078	9.98388	-17.9591	O2L	7583	0	0	0	-0.65	
-7586	OS3	SLES	1	-38.75	11.8444	-16.5101	O2L	7583	0	0	0	-0.65	
-7587	OS4	SLES	1	-36.6434	11.3864	-17.508	O2L	7583	0	0	0	-0.65	
-7588	C2	SLES	1	-36.1423	9.58131	-15.4241	CC32A	7584	7589	7590	7591	-0.11	
-7589	H2A	SLES	1	-35.6667	9.17099	-16.3583	HCA2	7588	0	0	0	0.09	
-7590	H2B	SLES	1	-35.662	10.5677	-15.1738	HCA2	7588	0	0	0	0.09	
-7591	C1	SLES	1	-35.9302	8.55376	-14.2138	CC32A	7588	7592	7593	7594	-0.01	
-7592	H1B	SLES	1	-36.4793	7.60631	-14.4202	HCA2	7591	0	0	0	0.09	
-7593	H1A	SLES	1	-36.3201	8.99615	-13.2675	HCA2	7591	0	0	0	0.09	
-7594	O1	SLES	1	-34.5741	8.0858	-13.8674	OC30A	7591	7595	0	0	-0.34	
-7595	C2	SLES	1	-33.4725	8.87383	-14.3655	CC32A	7594	7596	7597	7598	-0.01	
-7596	H2A	SLES	1	-33.6216	8.8028	-15.4607	HCA2	7595	0	0	0	0.09	
-7597	H2B	SLES	1	-33.7429	9.90117	-14.0326	HCA2	7595	0	0	0	0.09	
-7598	C1	SLES	1	-31.9757	8.58923	-14.025	CC32A	7595	7599	7600	7601	-0.01	
-7599	H1B	SLES	1	-31.5407	7.9071	-14.7875	HCA2	7598	0	0	0	0.09	
-7600	H1A	SLES	1	-31.4101	9.54237	-14.0372	HCA2	7598	0	0	0	0.09	
-7601	O1	SLES	1	-31.5454	7.90894	-12.8023	OC30A	7598	7602	0	0	-0.34	
-7602	C1	SLES	1	-30.2156	8.30511	-12.3036	CTL2	7601	7603	7604	7605	-0.18	
-7603	H11	SLES	1	-29.7407	8.91675	-13.0919	HAL2	7602	0	0	0	0.09	
-7604	H12	SLES	1	-30.4899	8.96725	-11.4564	HAL2	7602	0	0	0	0.09	
-7605	C2	SLES	1	-29.2034	7.19663	-11.8107	CTL2	7602	7606	7607	7608	-0.18	
-7606	H21	SLES	1	-29.6622	6.19315	-11.9569	HAL2	7605	0	0	0	0.09	
-7607	H22	SLES	1	-29.019	7.33364	-10.7227	HAL2	7605	0	0	0	0.09	
-7608	C3	SLES	1	-27.8023	7.25131	-12.5933	CTL2	7605	7609	7610	7611	-0.18	
-7609	H31	SLES	1	-27.7705	6.42279	-13.3355	HAL2	7608	0	0	0	0.09	
-7610	H32	SLES	1	-27.7358	8.20798	-13.1489	HAL2	7608	0	0	0	0.09	
-7611	C4	SLES	1	-26.5493	7.12744	-11.6306	CTL2	7608	7612	7613	7614	-0.18	
-7612	H41	SLES	1	-26.1498	6.09363	-11.6915	HAL2	7611	0	0	0	0.09	
-7613	H42	SLES	1	-26.8746	7.30755	-10.5833	HAL2	7611	0	0	0	0.09	
-7614	C5	SLES	1	-25.3885	8.15844	-11.9972	CTL2	7611	7615	7616	7617	-0.18	
-7615	H51	SLES	1	-25.5445	8.52674	-13.0353	HAL2	7614	0	0	0	0.09	
-7616	H52	SLES	1	-25.4505	9.03355	-11.3107	HAL2	7614	0	0	0	0.09	
-7617	C6	SLES	1	-23.9498	7.52572	-11.8918	CTL2	7614	7618	7619	7620	-0.18	
-7618	H61	SLES	1	-23.8023	6.81707	-12.7375	HAL2	7617	0	0	0	0.09	
-7619	H62	SLES	1	-23.19	8.33629	-11.987	HAL2	7617	0	0	0	0.09	
-7620	C7	SLES	1	-23.7188	6.76801	-10.5462	CTL2	7617	7621	7622	7623	-0.18	
-7621	H71	SLES	1	-24.1694	5.75342	-10.6192	HAL2	7620	0	0	0	0.09	
-7622	H72	SLES	1	-24.2359	7.31541	-9.72685	HAL2	7620	0	0	0	0.09	
-7623	C8	SLES	1	-22.2177	6.62748	-10.1905	CTL2	7620	7624	7625	7626	-0.18	
-7624	H81	SLES	1	-21.6596	6.28883	-11.0934	HAL2	7623	0	0	0	0.09	
-7625	H82	SLES	1	-21.8193	7.62429	-9.89347	HAL2	7623	0	0	0	0.09	
-7626	C9	SLES	1	-21.9743	5.62102	-9.03805	CTL2	7623	7627	7628	7629	-0.18	
-7627	H91	SLES	1	-22.3994	4.63207	-9.32382	HAL2	7626	0	0	0	0.09	
-7628	H92	SLES	1	-22.5096	5.97487	-8.12821	HAL2	7626	0	0	0	0.09	
-7629	C10	SLES	1	-20.4735	5.44753	-8.7052	CTL2	7626	7630	7631	7632	-0.18	
-7630	H10	SLES	1	-19.9418	5.0712	-9.60875	HAL2	7629	0	0	0	0.09	
-7631	H10	SLES	1	-20.0426	6.43972	-8.44079	HAL2	7629	0	0	0	0.09	
-7632	C11	SLES	1	-20.2355	4.46226	-7.53024	CTL2	7629	7633	7634	7635	-0.18	
-7633	H11	SLES	1	-20.6621	3.46974	-7.8023	HAL2	7632	0	0	0	0.09	
-7634	H11	SLES	1	-20.7837	4.83333	-6.6343	HAL2	7632	0	0	0	0.09	
-7635	C12	SLES	1	-18.7405	4.27939	-7.16107	CTL3	7632	7636	7637	7638	-0.27	
-7636	H12	SLES	1	-18.4436	3.21275	-7.26822	HAL3	7635	0	0	0	0.09	
-7637	H12	SLES	1	-18.561	4.59331	-6.10913	HAL3	7635	0	0	0	0.09	
-7638	H12	SLES	1	-18.0988	4.89455	-7.82883	HAL3	7635	0	0	0	0.09	
-7639	NA	SLES	1	-41.2591	-2.18434	-15.6523	NA	0	0	0	0	1	
-7640	S	SLES	1	-39.4292	0.768073	-16.7858	SL	7641	7642	7643	7644	1.33	
-7641	OS1	SLES	1	-38.8258	-0.363386	-15.7073	OSL	7640	7645	0	0	-0.28	
-7642	OS2	SLES	1	-39.7655	0.0424865	-17.9932	O2L	7640	0	0	0	-0.65	
-7643	OS3	SLES	1	-40.6318	1.30044	-16.1803	O2L	7640	0	0	0	-0.65	
-7644	OS4	SLES	1	-38.5114	1.85171	-17.0986	O2L	7640	0	0	0	-0.65	
-7645	C2	SLES	1	-37.38	-0.111291	-15.4498	CC32A	7641	7646	7647	7648	-0.11	
-7646	H2A	SLES	1	-36.8014	-0.0958529	-16.4153	HCA2	7645	0	0	0	0.09	
-7647	H2B	SLES	1	-37.2761	0.889903	-14.9467	HCA2	7645	0	0	0	0.09	
-7648	C1	SLES	1	-36.804	-1.25975	-14.4931	CC32A	7645	7649	7650	7651	-0.01	
-7649	H1B	SLES	1	-36.9855	-2.2599	-14.9498	HCA2	7648	0	0	0	0.09	
-7650	H1A	SLES	1	-37.3137	-1.2194	-13.5023	HCA2	7648	0	0	0	0.09	
-7651	O1	SLES	1	-35.366	-1.29844	-14.1638	OC30A	7648	7652	0	0	-0.34	
-7652	C2	SLES	1	-34.6198	-0.0835074	-14.3868	CC32A	7651	7653	7654	7655	-0.01	
-7653	H2A	SLES	1	-34.7474	0.0623772	-15.4774	HCA2	7652	0	0	0	0.09	
-7654	H2B	SLES	1	-35.2316	0.675615	-13.8494	HCA2	7652	0	0	0	0.09	
-7655	C1	SLES	1	-33.115	0.0942148	-14.011	CC32A	7652	7656	7657	7658	-0.01	
-7656	H1B	SLES	1	-32.4763	-0.192016	-14.8748	HCA2	7655	0	0	0	0.09	
-7657	H1A	SLES	1	-32.9226	1.15752	-13.7641	HCA2	7655	0	0	0	0.09	
-7658	O1	SLES	1	-32.4574	-0.666656	-12.9473	OC30A	7655	7659	0	0	-0.34	
-7659	C1	SLES	1	-31.3474	0.0332149	-12.275	CTL2	7658	7660	7661	7662	-0.18	
-7660	H11	SLES	1	-31.1287	0.940877	-12.8661	HAL2	7659	0	0	0	0.09	
-7661	H12	SLES	1	-31.8277	0.336632	-11.3218	HAL2	7659	0	0	0	0.09	
-7662	C2	SLES	1	-30.003	-0.740536	-11.9746	CTL2	7659	7663	7664	7665	-0.18	
-7663	H21	SLES	1	-30.0795	-1.77472	-12.3789	HAL2	7662	0	0	0	0.09	
-7664	H22	SLES	1	-29.8658	-0.812638	-10.8735	HAL2	7662	0	0	0	0.09	
-7665	C3	SLES	1	-28.7211	-0.0194775	-12.619	CTL2	7662	7666	7667	7668	-0.18	
-7666	H31	SLES	1	-28.4076	-0.582784	-13.526	HAL2	7665	0	0	0	0.09	
-7667	H32	SLES	1	-29.0035	1.00439	-12.9355	HAL2	7665	0	0	0	0.09	
-7668	C4	SLES	1	-27.4936	0.0710401	-11.6204	CTL2	7665	7669	7670	7671	-0.18	
-7669	H41	SLES	1	-26.7555	-0.714336	-11.8857	HAL2	7668	0	0	0	0.09	
-7670	H42	SLES	1	-27.8489	-0.128388	-10.5864	HAL2	7668	0	0	0	0.09	
-7671	C5	SLES	1	-26.7763	1.49546	-11.6561	CTL2	7668	7672	7673	7674	-0.18	
-7672	H51	SLES	1	-27.0648	2.02394	-12.5915	HAL2	7671	0	0	0	0.09	
-7673	H52	SLES	1	-27.1351	2.10392	-10.7947	HAL2	7671	0	0	0	0.09	
-7674	C6	SLES	1	-25.2057	1.39347	-11.5921	CTL2	7671	7675	7676	7677	-0.18	
-7675	H61	SLES	1	-24.8275	1.00367	-12.5638	HAL2	7674	0	0	0	0.09	
-7676	H62	SLES	1	-24.7823	2.41437	-11.4439	HAL2	7674	0	0	0	0.09	
-7677	C7	SLES	1	-24.7058	0.464015	-10.4413	CTL2	7674	7678	7679	7680	-0.18	
-7678	H71	SLES	1	-24.7698	-0.594905	-10.7764	HAL2	7677	0	0	0	0.09	
-7679	H72	SLES	1	-25.373	0.586053	-9.55906	HAL2	7677	0	0	0	0.09	
-7680	C8	SLES	1	-23.2476	0.770338	-10.0176	CTL2	7677	7681	7682	7683	-0.18	
-7681	H81	SLES	1	-22.6168	0.871867	-10.9304	HAL2	7680	0	0	0	0.09	
-7682	H82	SLES	1	-23.2234	1.74153	-9.47278	HAL2	7680	0	0	0	0.09	
-7683	C9	SLES	1	-22.6506	-0.334343	-9.11009	CTL2	7680	7684	7685	7686	-0.18	
-7684	H91	SLES	1	-22.7023	-1.31029	-9.64413	HAL2	7683	0	0	0	0.09	
-7685	H92	SLES	1	-23.2653	-0.415843	-8.18544	HAL2	7683	0	0	0	0.09	
-7686	C10	SLES	1	-21.1813	-0.0525604	-8.7161	CTL2	7683	7687	7688	7689	-0.18	
-7687	H10	SLES	1	-20.5618	0.00582877	-9.64002	HAL2	7686	0	0	0	0.09	
-7688	H10	SLES	1	-21.1255	0.933459	-8.20163	HAL2	7686	0	0	0	0.09	
-7689	C11	SLES	1	-20.5965	-1.14523	-7.7823	CTL2	7686	7690	7691	7692	-0.18	
-7690	H11	SLES	1	-20.6483	-2.12824	-8.30397	HAL2	7689	0	0	0	0.09	
-7691	H11	SLES	1	-21.2296	-1.21228	-6.86818	HAL2	7689	0	0	0	0.09	
-7692	C12	SLES	1	-19.129	-0.88269	-7.35562	CTL3	7689	7693	7694	7695	-0.27	
-7693	H12	SLES	1	-18.4758	-1.72229	-7.68086	HAL3	7692	0	0	0	0.09	
-7694	H12	SLES	1	-19.0592	-0.787318	-6.24955	HAL3	7692	0	0	0	0.09	
-7695	H12	SLES	1	-18.754	0.0569904	-7.81661	HAL3	7692	0	0	0	0.09	
-7696	NA	SLES	1	-38.9925	-12.9883	-16.2164	NA	0	0	0	0	1	
-7697	S	SLES	1	-38.3845	-9.4047	-16.589	SL	7698	7699	7700	7701	1.33	
-7698	OS1	SLES	1	-37.3497	-10.464	-15.8051	OSL	7697	7702	0	0	-0.28	
-7699	OS2	SLES	1	-38.5371	-9.90678	-17.9388	O2L	7697	0	0	0	-0.65	
-7700	OS3	SLES	1	-39.6491	-9.48441	-15.8882	O2L	7697	0	0	0	-0.65	
-7701	OS4	SLES	1	-37.9235	-8.026	-16.6225	O2L	7697	0	0	0	-0.65	
-7702	C2	SLES	1	-36.0654	-9.78328	-15.4773	CC32A	7698	7703	7704	7705	-0.11	
-7703	H2A	SLES	1	-35.6005	-9.34494	-16.4041	HCA2	7702	0	0	0	0.09	
-7704	H2B	SLES	1	-36.2772	-8.95274	-14.7483	HCA2	7702	0	0	0	0.09	
-7705	C1	SLES	1	-35.0592	-10.8399	-14.8162	CC32A	7702	7706	7707	7708	-0.01	
-7706	H1B	SLES	1	-34.9169	-11.7075	-15.501	HCA2	7705	0	0	0	0.09	
-7707	H1A	SLES	1	-35.4771	-11.2091	-13.8507	HCA2	7705	0	0	0	0.09	
-7708	O1	SLES	1	-33.6764	-10.4422	-14.4883	OC30A	7705	7709	0	0	-0.34	
-7709	C2	SLES	1	-33.4148	-9.02538	-14.4054	CC32A	7708	7710	7711	7712	-0.01	
-7710	H2A	SLES	1	-33.6648	-8.6896	-15.4309	HCA2	7709	0	0	0	0.09	
-7711	H2B	SLES	1	-34.2099	-8.6751	-13.7095	HCA2	7709	0	0	0	0.09	
-7712	C1	SLES	1	-32.0409	-8.41825	-13.9799	CC32A	7709	7713	7714	7715	-0.01	
-7713	H1B	SLES	1	-31.4079	-8.25556	-14.8793	HCA2	7712	0	0	0	0.09	
-7714	H1A	SLES	1	-32.2103	-7.44174	-13.4836	HCA2	7712	0	0	0	0.09	
-7715	O1	SLES	1	-31.0845	-9.11876	-13.1212	OC30A	7712	7716	0	0	-0.34	
-7716	C1	SLES	1	-30.2386	-8.24483	-12.2877	CTL2	7715	7717	7718	7719	-0.18	
-7717	H11	SLES	1	-30.3912	-7.20929	-12.642	HAL2	7716	0	0	0	0.09	
-7718	H12	SLES	1	-30.7227	-8.35634	-11.2955	HAL2	7716	0	0	0	0.09	
-7719	C2	SLES	1	-28.6914	-8.54052	-12.1649	CTL2	7716	7720	7721	7722	-0.18	
-7720	H21	SLES	1	-28.4352	-9.41383	-12.8056	HAL2	7719	0	0	0	0.09	
-7721	H22	SLES	1	-28.4571	-8.80838	-11.1113	HAL2	7719	0	0	0	0.09	
-7722	C3	SLES	1	-27.7888	-7.28666	-12.6027	CTL2	7719	7723	7724	7725	-0.18	
-7723	H31	SLES	1	-27.3676	-7.4804	-13.6142	HAL2	7722	0	0	0	0.09	
-7724	H32	SLES	1	-28.4302	-6.38526	-12.6685	HAL2	7722	0	0	0	0.09	
-7725	C4	SLES	1	-26.5984	-6.99852	-11.5966	CTL2	7722	7726	7727	7728	-0.18	
-7726	H41	SLES	1	-25.6559	-7.38997	-12.0332	HAL2	7725	0	0	0	0.09	
-7727	H42	SLES	1	-26.7858	-7.54054	-10.6447	HAL2	7725	0	0	0	0.09	
-7728	C5	SLES	1	-26.4224	-5.44455	-11.2821	CTL2	7725	7729	7730	7731	-0.18	
-7729	H51	SLES	1	-26.9438	-4.85379	-12.0673	HAL2	7728	0	0	0	0.09	
-7730	H52	SLES	1	-26.9051	-5.21544	-10.3046	HAL2	7728	0	0	0	0.09	
-7731	C6	SLES	1	-24.9132	-4.99692	-11.2254	CTL2	7728	7732	7733	7734	-0.18	
-7732	H61	SLES	1	-24.4961	-4.99566	-12.2575	HAL2	7731	0	0	0	0.09	
-7733	H62	SLES	1	-24.8591	-3.9548	-10.8323	HAL2	7731	0	0	0	0.09	
-7734	C7	SLES	1	-24.0396	-5.92594	-10.3243	CTL2	7731	7735	7736	7737	-0.18	
-7735	H71	SLES	1	-23.7581	-6.83302	-10.9037	HAL2	7734	0	0	0	0.09	
-7736	H72	SLES	1	-24.6411	-6.25187	-9.44658	HAL2	7734	0	0	0	0.09	
-7737	C8	SLES	1	-22.7503	-5.2295	-9.8221	CTL2	7734	7738	7739	7740	-0.18	
-7738	H81	SLES	1	-22.2624	-4.7066	-10.6765	HAL2	7737	0	0	0	0.09	
-7739	H82	SLES	1	-23.0233	-4.46384	-9.06061	HAL2	7737	0	0	0	0.09	
-7740	C9	SLES	1	-21.7432	-6.22777	-9.19795	CTL2	7737	7741	7742	7743	-0.18	
-7741	H91	SLES	1	-21.4935	-7.00992	-9.95044	HAL2	7740	0	0	0	0.09	
-7742	H92	SLES	1	-22.2221	-6.72952	-8.32708	HAL2	7740	0	0	0	0.09	
-7743	C10	SLES	1	-20.4372	-5.54291	-8.73034	CTL2	7740	7744	7745	7746	-0.18	
-7744	H10	SLES	1	-19.9458	-5.06062	-9.60596	HAL2	7743	0	0	0	0.09	
-7745	H10	SLES	1	-20.6879	-4.74572	-7.99438	HAL2	7743	0	0	0	0.09	
-7746	C11	SLES	1	-19.4437	-6.54058	-8.07793	CTL2	7743	7747	7748	7749	-0.18	
-7747	H11	SLES	1	-19.1907	-7.33197	-8.8201	HAL2	7746	0	0	0	0.09	
-7748	H11	SLES	1	-19.9456	-7.03331	-7.21405	HAL2	7746	0	0	0	0.09	
-7749	C12	SLES	1	-18.1303	-5.88126	-7.5832	CTL3	7746	7750	7751	7752	-0.27	
-7750	H12	SLES	1	-17.2529	-6.33829	-8.09188	HAL3	7749	0	0	0	0.09	
-7751	H12	SLES	1	-18.0167	-6.0221	-6.48566	HAL3	7749	0	0	0	0.09	
-7752	H12	SLES	1	-18.1382	-4.79113	-7.80158	HAL3	7749	0	0	0	0.09	
-7753	NA	SLES	1	-34.0326	-22.6	-16.8258	NA	0	0	0	0	1	
-7754	S	SLES	1	-34.7299	-19.0412	-16.3791	SL	7755	7756	7757	7758	1.33	
-7755	OS1	SLES	1	-33.3046	-19.7918	-15.918	OSL	7754	7759	0	0	-0.28	
-7756	OS2	SLES	1	-34.8773	-19.2822	-17.7996	O2L	7754	0	0	0	-0.65	
-7757	OS3	SLES	1	-35.79	-19.7096	-15.6539	O2L	7754	0	0	0	-0.65	
-7758	OS4	SLES	1	-34.7724	-17.6125	-16.1121	O2L	7754	0	0	0	-0.65	
-7759	C2	SLES	1	-32.2963	-18.7754	-15.505	CC32A	7755	7760	7761	7762	-0.11	
-7760	H2A	SLES	1	-32.1323	-18.0225	-16.3256	HCA2	7759	0	0	0	0.09	
-7761	H2B	SLES	1	-32.6806	-18.2415	-14.5921	HCA2	7759	0	0	0	0.09	
-7762	C1	SLES	1	-30.9146	-19.5092	-15.161	CC32A	7759	7763	7764	7765	-0.01	
-7763	H1B	SLES	1	-30.5767	-20.1108	-16.0361	HCA2	7762	0	0	0	0.09	
-7764	H1A	SLES	1	-31.0532	-20.19	-14.289	HCA2	7762	0	0	0	0.09	
-7765	O1	SLES	1	-29.7185	-18.7153	-14.8191	OC30A	7762	7766	0	0	-0.34	
-7766	C2	SLES	1	-29.9444	-17.3469	-14.42	CC32A	7765	7767	7768	7769	-0.01	
-7767	H2A	SLES	1	-30.4245	-16.9247	-15.3245	HCA2	7766	0	0	0	0.09	
-7768	H2B	SLES	1	-30.7136	-17.4538	-13.6224	HCA2	7766	0	0	0	0.09	
-7769	C1	SLES	1	-28.8149	-16.3851	-13.9338	CC32A	7766	7770	7771	7772	-0.01	
-7770	H1B	SLES	1	-28.3973	-15.8283	-14.8008	HCA2	7769	0	0	0	0.09	
-7771	H1A	SLES	1	-29.2394	-15.6561	-13.2148	HCA2	7769	0	0	0	0.09	
-7772	O1	SLES	1	-27.5746	-16.852	-13.3121	OC30A	7769	7773	0	0	-0.34	
-7773	C1	SLES	1	-26.9745	-15.919	-12.3408	CTL2	7772	7774	7775	7776	-0.18	
-7774	H11	SLES	1	-27.514	-14.9591	-12.4347	HAL2	7773	0	0	0	0.09	
-7775	H12	SLES	1	-27.2588	-16.3942	-11.3792	HAL2	7773	0	0	0	0.09	
-7776	C2	SLES	1	-25.4168	-15.6566	-12.3685	CTL2	7773	7777	7778	7779	-0.18	
-7777	H21	SLES	1	-24.9652	-16.2313	-13.2079	HAL2	7776	0	0	0	0.09	
-7778	H22	SLES	1	-24.9707	-16.0282	-11.4201	HAL2	7776	0	0	0	0.09	
-7779	C3	SLES	1	-25.058	-14.1014	-12.5454	CTL2	7776	7780	7781	7782	-0.18	
-7780	H31	SLES	1	-24.7313	-13.923	-13.5941	HAL2	7779	0	0	0	0.09	
-7781	H32	SLES	1	-25.9699	-13.4976	-12.3661	HAL2	7779	0	0	0	0.09	
-7782	C4	SLES	1	-23.9158	-13.613	-11.561	CTL2	7779	7783	7784	7785	-0.18	
-7783	H41	SLES	1	-22.9617	-13.5428	-12.1238	HAL2	7782	0	0	0	0.09	
-7784	H42	SLES	1	-23.7829	-14.3656	-10.7542	HAL2	7782	0	0	0	0.09	
-7785	C5	SLES	1	-24.238	-12.197	-10.9007	CTL2	7782	7786	7787	7788	-0.18	
-7786	H51	SLES	1	-25.0262	-11.6884	-11.4986	HAL2	7785	0	0	0	0.09	
-7787	H52	SLES	1	-24.6383	-12.3584	-9.87372	HAL2	7785	0	0	0	0.09	
-7788	C6	SLES	1	-22.9763	-11.2576	-10.8167	CTL2	7785	7789	7790	7791	-0.18	
-7789	H61	SLES	1	-22.7223	-10.899	-11.8394	HAL2	7788	0	0	0	0.09	
-7790	H62	SLES	1	-23.2282	-10.3677	-10.1938	HAL2	7788	0	0	0	0.09	
-7791	C7	SLES	1	-21.7301	-11.971	-10.2032	CTL2	7788	7792	7793	7794	-0.18	
-7792	H71	SLES	1	-21.2356	-12.5798	-10.9922	HAL2	7791	0	0	0	0.09	
-7793	H72	SLES	1	-22.0659	-12.6608	-9.39706	HAL2	7791	0	0	0	0.09	
-7794	C8	SLES	1	-20.6998	-10.9737	-9.61735	CTL2	7791	7795	7796	7797	-0.18	
-7795	H81	SLES	1	-20.5336	-10.15	-10.349	HAL2	7794	0	0	0	0.09	
-7796	H82	SLES	1	-21.1148	-10.5273	-8.68507	HAL2	7794	0	0	0	0.09	
-7797	C9	SLES	1	-19.3418	-11.6465	-9.29565	CTL2	7794	7798	7799	7800	-0.18	
-7798	H91	SLES	1	-18.9417	-12.118	-10.2219	HAL2	7797	0	0	0	0.09	
-7799	H92	SLES	1	-19.5046	-12.451	-8.5435	HAL2	7797	0	0	0	0.09	
-7800	C10	SLES	1	-18.2964	-10.6467	-8.74695	CTL2	7797	7801	7802	7803	-0.18	
-7801	H10	SLES	1	-18.116	-9.85443	-9.5089	HAL2	7800	0	0	0	0.09	
-7802	H10	SLES	1	-18.7048	-10.1585	-7.83318	HAL2	7800	0	0	0	0.09	
-7803	C11	SLES	1	-16.9476	-11.3295	-8.39698	CTL2	7800	7804	7805	7806	-0.18	
-7804	H11	SLES	1	-16.54	-11.8103	-9.31554	HAL2	7803	0	0	0	0.09	
-7805	H11	SLES	1	-17.1358	-12.1327	-7.64835	HAL2	7803	0	0	0	0.09	
-7806	C12	SLES	1	-15.8832	-10.3558	-7.8283	CTL3	7803	7807	7808	7809	-0.27	
-7807	H12	SLES	1	-14.9769	-10.3543	-8.47326	HAL3	7806	0	0	0	0.09	
-7808	H12	SLES	1	-15.5869	-10.6639	-6.80136	HAL3	7806	0	0	0	0.09	
-7809	H12	SLES	1	-16.2887	-9.32145	-7.78475	HAL3	7806	0	0	0	0.09	
-7810	NA	SLES	1	-26.895	-30.4077	-17.4387	NA	0	0	0	0	1	
-7811	S	SLES	1	-28.6544	-27.4672	-16.1706	SL	7812	7813	7814	7815	1.33	
-7812	OS1	SLES	1	-27.0022	-27.7119	-16.0384	OSL	7811	7816	0	0	-0.28	
-7813	OS2	SLES	1	-28.9623	-27.5138	-17.585	O2L	7811	0	0	0	-0.65	
-7814	OS3	SLES	1	-29.2822	-28.5823	-15.4932	O2L	7811	0	0	0	-0.65	
-7815	OS4	SLES	1	-29.1255	-26.2144	-15.6023	O2L	7811	0	0	0	-0.65	
-7816	C2	SLES	1	-26.3368	-26.479	-15.5308	CC32A	7812	7817	7818	7819	-0.11	
-7817	H2A	SLES	1	-26.5833	-25.5967	-16.185	HCA2	7816	0	0	0	0.09	
-7818	H2B	SLES	1	-26.7093	-26.2753	-14.4887	HCA2	7816	0	0	0	0.09	
-7819	C1	SLES	1	-24.7512	-26.7054	-15.504	CC32A	7816	7820	7821	7822	-0.01	
-7820	H1B	SLES	1	-24.3923	-26.9941	-16.5187	HCA2	7819	0	0	0	0.09	
-7821	H1A	SLES	1	-24.4963	-27.5205	-14.7873	HCA2	7819	0	0	0	0.09	
-7822	O1	SLES	1	-23.8501	-25.597	-15.1333	OC30A	7819	7823	0	0	-0.34	
-7823	C2	SLES	1	-24.4472	-24.4875	-14.4297	CC32A	7822	7824	7825	7826	-0.01	
-7824	H2A	SLES	1	-25.1937	-24.1293	-15.1655	HCA2	7823	0	0	0	0.09	
-7825	H2B	SLES	1	-24.9814	-24.9932	-13.594	HCA2	7823	0	0	0	0.09	
-7826	C1	SLES	1	-23.6385	-23.2724	-13.8759	CC32A	7823	7827	7828	7829	-0.01	
-7827	H1B	SLES	1	-23.5928	-22.4705	-14.6446	HCA2	7826	0	0	0	0.09	
-7828	H1A	SLES	1	-24.1481	-22.8732	-12.9761	HCA2	7826	0	0	0	0.09	
-7829	O1	SLES	1	-22.224	-23.3498	-13.5071	OC30A	7826	7830	0	0	-0.34	
-7830	C1	SLES	1	-21.8092	-22.4315	-12.4307	CTL2	7829	7831	7832	7833	-0.18	
-7831	H11	SLES	1	-22.6469	-21.7317	-12.2584	HAL2	7830	0	0	0	0.09	
-7832	H12	SLES	1	-21.742	-23.1253	-11.5673	HAL2	7830	0	0	0	0.09	
-7833	C2	SLES	1	-20.4609	-21.62	-12.5717	CTL2	7830	7834	7835	7836	-0.18	
-7834	H21	SLES	1	-19.9994	-21.8485	-13.5584	HAL2	7833	0	0	0	0.09	
-7835	H22	SLES	1	-19.7552	-21.9512	-11.7787	HAL2	7833	0	0	0	0.09	
-7836	C3	SLES	1	-20.682	-20.0341	-12.4512	CTL2	7833	7837	7838	7839	-0.18	
-7837	H31	SLES	1	-20.6258	-19.5833	-13.467	HAL2	7836	0	0	0	0.09	
-7838	H32	SLES	1	-21.6963	-19.8402	-12.0489	HAL2	7836	0	0	0	0.09	
-7839	C4	SLES	1	-19.6143	-19.3288	-11.5159	CTL2	7836	7840	7841	7842	-0.18	
-7840	H41	SLES	1	-18.855	-18.8272	-12.1516	HAL2	7839	0	0	0	0.09	
-7841	H42	SLES	1	-19.0955	-20.1006	-10.9075	HAL2	7839	0	0	0	0.09	
-7842	C5	SLES	1	-20.2699	-18.2525	-10.5379	CTL2	7839	7843	7844	7845	-0.18	
-7843	H51	SLES	1	-21.2759	-17.9763	-10.924	HAL2	7842	0	0	0	0.09	
-7844	H52	SLES	1	-20.4038	-18.711	-9.53152	HAL2	7842	0	0	0	0.09	
-7845	C6	SLES	1	-19.4028	-16.9454	-10.3939	CTL2	7842	7846	7847	7848	-0.18	
-7846	H61	SLES	1	-19.4697	-16.3597	-11.3381	HAL2	7845	0	0	0	0.09	
-7847	H62	SLES	1	-19.8237	-16.3203	-9.57198	HAL2	7845	0	0	0	0.09	
-7848	C7	SLES	1	-17.9016	-17.2456	-10.0862	CTL2	7845	7849	7850	7851	-0.18	
-7849	H71	SLES	1	-17.38	-17.4978	-11.036	HAL2	7848	0	0	0	0.09	
-7850	H72	SLES	1	-17.8377	-18.1301	-9.41389	HAL2	7848	0	0	0	0.09	
-7851	C8	SLES	1	-17.1788	-16.0499	-9.41731	CTL2	7848	7852	7853	7854	-0.18	
-7852	H81	SLES	1	-17.4313	-15.1161	-9.97026	HAL2	7851	0	0	0	0.09	
-7853	H82	SLES	1	-17.5469	-15.9409	-8.37173	HAL2	7851	0	0	0	0.09	
-7854	C9	SLES	1	-15.6396	-16.2253	-9.39653	CTL2	7851	7855	7856	7857	-0.18	
-7855	H91	SLES	1	-15.2758	-16.3639	-10.44	HAL2	7854	0	0	0	0.09	
-7856	H92	SLES	1	-15.3868	-17.1436	-8.81994	HAL2	7854	0	0	0	0.09	
-7857	C10	SLES	1	-14.9103	-15.016	-8.7648	CTL2	7854	7858	7859	7860	-0.18	
-7858	H10	SLES	1	-15.1444	-14.1011	-9.35545	HAL2	7857	0	0	0	0.09	
-7859	H10	SLES	1	-15.2896	-14.8632	-7.72902	HAL2	7857	0	0	0	0.09	
-7860	C11	SLES	1	-13.3713	-15.2085	-8.71771	CTL2	7857	7861	7862	7863	-0.18	
-7861	H11	SLES	1	-12.996	-15.3541	-9.75651	HAL2	7860	0	0	0	0.09	
-7862	H11	SLES	1	-13.1431	-16.1342	-8.14148	HAL2	7860	0	0	0	0.09	
-7863	C12	SLES	1	-12.6121	-14.0194	-8.07423	CTL3	7860	7864	7865	7866	-0.27	
-7864	H12	SLES	1	-11.8886	-13.5851	-8.79902	HAL3	7863	0	0	0	0.09	
-7865	H12	SLES	1	-12.0522	-14.3593	-7.17515	HAL3	7863	0	0	0	0.09	
-7866	H12	SLES	1	-13.3264	-13.2246	-7.76727	HAL3	7863	0	0	0	0.09	
-7867	NA	SLES	1	-18.1984	-36.0057	-18.0136	NA	0	0	0	0	1	
-7868	S	SLES	1	-20.5289	-34.063	-15.9776	SL	7869	7870	7871	7872	1.33	
-7869	OS1	SLES	1	-18.9025	-33.7033	-16.158	OSL	7868	7873	0	0	-0.28	
-7870	OS2	SLES	1	-21.0972	-34.0637	-17.3098	O2L	7868	0	0	0	-0.65	
-7871	OS3	SLES	1	-20.5867	-35.3969	-15.4172	O2L	7868	0	0	0	-0.65	
-7872	OS4	SLES	1	-21.2602	-33.1372	-15.1277	O2L	7868	0	0	0	-0.65	
-7873	C2	SLES	1	-18.5972	-32.3762	-15.5531	CC32A	7869	7874	7875	7876	-0.11	
-7874	H2A	SLES	1	-19.2587	-31.5781	-15.9919	HCA2	7873	0	0	0	0.09	
-7875	H2B	SLES	1	-18.7852	-32.4368	-14.4453	HCA2	7873	0	0	0	0.09	
-7876	C1	SLES	1	-17.0606	-32.0122	-15.8218	CC32A	7873	7877	7878	7879	-0.01	
-7877	H1B	SLES	1	-16.8506	-32.0382	-16.9159	HCA2	7876	0	0	0	0.09	
-7878	H1A	SLES	1	-16.4005	-32.7519	-15.3117	HCA2	7876	0	0	0	0.09	
-7879	O1	SLES	1	-16.5264	-30.6997	-15.4098	OC30A	7876	7880	0	0	-0.34	
-7880	C2	SLES	1	-17.2965	-29.967	-14.4336	CC32A	7879	7881	7882	7883	-0.01	
-7881	H2A	SLES	1	-18.2584	-29.8267	-14.9646	HCA2	7880	0	0	0	0.09	
-7882	H2B	SLES	1	-17.439	-30.7202	-13.6263	HCA2	7880	0	0	0	0.09	
-7883	C1	SLES	1	-16.8439	-28.6093	-13.81	CC32A	7880	7884	7885	7886	-0.01	
-7884	H1B	SLES	1	-17.2347	-27.7669	-14.4213	HCA2	7883	0	0	0	0.09	
-7885	H1A	SLES	1	-17.2536	-28.5233	-12.7837	HCA2	7883	0	0	0	0.09	
-7886	O1	SLES	1	-15.4413	-28.207	-13.6928	OC30A	7883	7887	0	0	-0.34	
-7887	C1	SLES	1	-15.1392	-27.3241	-12.5512	CTL2	7886	7888	7889	7890	-0.18	
-7888	H11	SLES	1	-16.106	-26.9999	-12.1252	HAL2	7887	0	0	0	0.09	
-7889	H12	SLES	1	-14.6609	-28.0358	-11.847	HAL2	7887	0	0	0	0.09	
-7890	C2	SLES	1	-14.2042	-26.0679	-12.7605	CTL2	7887	7891	7892	7893	-0.18	
-7891	H21	SLES	1	-13.9143	-26.0038	-13.8332	HAL2	7890	0	0	0	0.09	
-7892	H22	SLES	1	-13.2765	-26.2042	-12.1627	HAL2	7890	0	0	0	0.09	
-7893	C3	SLES	1	-14.9133	-24.6941	-12.3263	CTL2	7890	7894	7895	7896	-0.18	
-7894	H31	SLES	1	-15.2294	-24.1457	-13.2415	HAL2	7893	0	0	0	0.09	
-7895	H32	SLES	1	-15.8234	-24.9273	-11.7385	HAL2	7893	0	0	0	0.09	
-7896	C4	SLES	1	-13.9707	-23.7555	-11.4645	CTL2	7893	7897	7898	7899	-0.18	
-7897	H41	SLES	1	-13.5776	-22.9461	-12.1145	HAL2	7896	0	0	0	0.09	
-7898	H42	SLES	1	-13.1061	-24.3474	-11.0941	HAL2	7896	0	0	0	0.09	
-7899	C5	SLES	1	-14.7249	-23.1048	-10.2184	CTL2	7896	7900	7901	7902	-0.18	
-7900	H51	SLES	1	-15.823	-23.1727	-10.3828	HAL2	7899	0	0	0	0.09	
-7901	H52	SLES	1	-14.4795	-23.6875	-9.30129	HAL2	7899	0	0	0	0.09	
-7902	C6	SLES	1	-14.3369	-21.5959	-9.98573	CTL2	7899	7903	7904	7905	-0.18	
-7903	H61	SLES	1	-14.796	-20.9754	-10.7877	HAL2	7902	0	0	0	0.09	
-7904	H62	SLES	1	-14.7577	-21.2604	-9.00912	HAL2	7902	0	0	0	0.09	
-7905	C7	SLES	1	-12.7931	-21.3617	-9.98132	CTL2	7902	7906	7907	7908	-0.18	
-7906	H71	SLES	1	-12.4322	-21.3017	-11.032	HAL2	7905	0	0	0	0.09	
-7907	H72	SLES	1	-12.2945	-22.2301	-9.49592	HAL2	7905	0	0	0	0.09	
-7908	C8	SLES	1	-12.3883	-20.0657	-9.2356	CTL2	7905	7909	7910	7911	-0.18	
-7909	H81	SLES	1	-13.051	-19.2332	-9.56609	HAL2	7908	0	0	0	0.09	
-7910	H82	SLES	1	-12.5398	-20.2127	-8.14196	HAL2	7908	0	0	0	0.09	
-7911	C9	SLES	1	-10.9125	-19.6708	-9.49372	CTL2	7908	7912	7913	7914	-0.18	
-7912	H91	SLES	1	-10.7546	-19.5529	-10.5898	HAL2	7911	0	0	0	0.09	
-7913	H92	SLES	1	-10.2497	-20.4914	-9.13756	HAL2	7911	0	0	0	0.09	
-7914	C10	SLES	1	-10.5143	-18.3558	-8.78268	CTL2	7911	7915	7916	7917	-0.18	
-7915	H10	SLES	1	-11.1618	-17.5299	-9.15607	HAL2	7914	0	0	0	0.09	
-7916	H10	SLES	1	-10.6928	-18.4653	-7.68899	HAL2	7914	0	0	0	0.09	
-7917	C11	SLES	1	-9.02733	-17.9796	-9.01827	CTL2	7914	7918	7919	7920	-0.18	
-7918	H11	SLES	1	-8.85551	-17.8646	-10.113	HAL2	7917	0	0	0	0.09	
-7919	H11	SLES	1	-8.38466	-18.816	-8.65984	HAL2	7917	0	0	0	0.09	
-7920	C12	SLES	1	-8.59233	-16.6737	-8.30421	CTL3	7917	7921	7922	7923	-0.27	
-7921	H12	SLES	1	-8.22855	-15.9299	-9.04695	HAL3	7920	0	0	0	0.09	
-7922	H12	SLES	1	-7.77296	-16.8829	-7.58154	HAL3	7920	0	0	0	0.09	
-7923	H12	SLES	1	-9.44897	-16.2316	-7.75033	HAL3	7920	0	0	0	0.09	
-7924	NA	SLES	1	-8.5867	-39.1878	-18.5112	NA	0	0	0	0	1	
-7925	S	SLES	1	-10.8924	-38.3185	-15.8133	SL	7926	7927	7928	7929	1.33	
-7926	OS1	SLES	1	-9.57469	-37.3892	-16.2688	OSL	7925	7930	0	0	-0.28	
-7927	OS2	SLES	1	-11.7218	-38.4566	-16.9926	O2L	7925	0	0	0	-0.65	
-7928	OS3	SLES	1	-10.3614	-39.6102	-15.431	O2L	7925	0	0	0	-0.65	
-7929	OS4	SLES	1	-11.6738	-37.7616	-14.7207	O2L	7925	0	0	0	-0.65	
-7930	C2	SLES	1	-9.605	-36.0733	-15.5703	CC32A	7926	7931	7932	7933	-0.11	
-7931	H2A	SLES	1	-10.5812	-35.5456	-15.7596	HCA2	7930	0	0	0	0.09	
-7932	H2B	SLES	1	-9.49646	-36.2531	-14.4648	HCA2	7930	0	0	0	0.09	
-7933	C1	SLES	1	-8.39129	-35.1679	-16.0928	CC32A	7930	7934	7935	7936	-0.01	
-7934	H1B	SLES	1	-8.44726	-35.0616	-17.2007	HCA2	7933	0	0	0	0.09	
-7935	H1A	SLES	1	-7.41955	-35.6453	-15.8264	HCA2	7933	0	0	0	0.09	
-7936	O1	SLES	1	-8.2533	-33.7736	-15.6295	OC30A	7933	7937	0	0	-0.34	
-7937	C2	SLES	1	-8.97492	-33.417	-14.4317	CC32A	7936	7938	7939	7940	-0.01	
-7938	H2A	SLES	1	-10.0232	-33.6056	-14.7356	HCA2	7937	0	0	0	0.09	
-7939	H2B	SLES	1	-8.66033	-34.2106	-13.7172	HCA2	7937	0	0	0	0.09	
-7940	C1	SLES	1	-8.87702	-32.0205	-13.7407	CC32A	7937	7941	7942	7943	-0.01	
-7941	H1B	SLES	1	-9.66194	-31.3455	-14.1461	HCA2	7940	0	0	0	0.09	
-7942	H1A	SLES	1	-9.03928	-32.1394	-12.6507	HCA2	7940	0	0	0	0.09	
-7943	O1	SLES	1	-7.70803	-31.1471	-13.8566	OC30A	7940	7944	0	0	-0.34	
-7944	C1	SLES	1	-7.46504	-30.2732	-12.6942	CTL2	7943	7945	7946	7947	-0.18	
-7945	H11	SLES	1	-8.35611	-30.3403	-12.0441	HAL2	7944	0	0	0	0.09	
-7946	H12	SLES	1	-6.62298	-30.7996	-12.1991	HAL2	7944	0	0	0	0.09	
-7947	C2	SLES	1	-7.08814	-28.7559	-12.9221	CTL2	7944	7948	7949	7950	-0.18	
-7948	H21	SLES	1	-7.09686	-28.538	-14.0135	HAL2	7947	0	0	0	0.09	
-7949	H22	SLES	1	-6.05668	-28.5793	-12.5459	HAL2	7947	0	0	0	0.09	
-7950	C3	SLES	1	-8.09848	-27.7528	-12.1794	CTL2	7947	7951	7952	7953	-0.18	
-7951	H31	SLES	1	-8.78673	-27.3096	-12.9332	HAL2	7950	0	0	0	0.09	
-7952	H32	SLES	1	-8.711	-28.327	-11.456	HAL2	7950	0	0	0	0.09	
-7953	C4	SLES	1	-7.35627	-26.5826	-11.4101	CTL2	7950	7954	7955	7956	-0.18	
-7954	H41	SLES	1	-7.42476	-25.6544	-12.015	HAL2	7953	0	0	0	0.09	
-7955	H42	SLES	1	-6.28107	-26.8417	-11.3013	HAL2	7953	0	0	0	0.09	
-7956	C5	SLES	1	-7.97247	-26.3102	-9.96412	CTL2	7953	7957	7958	7959	-0.18	
-7957	H51	SLES	1	-8.98843	-26.7603	-9.91172	HAL2	7956	0	0	0	0.09	
-7958	H52	SLES	1	-7.33656	-26.8109	-9.19872	HAL2	7956	0	0	0	0.09	
-7959	C6	SLES	1	-8.07615	-24.7765	-9.62005	CTL2	7956	7960	7961	7962	-0.18	
-7960	H61	SLES	1	-8.89264	-24.3232	-10.2258	HAL2	7959	0	0	0	0.09	
-7961	H62	SLES	1	-8.34475	-24.6643	-8.54362	HAL2	7959	0	0	0	0.09	
-7962	C7	SLES	1	-6.74794	-24.0031	-9.89571	CTL2	7959	7963	7964	7965	-0.18	
-7963	H71	SLES	1	-6.68546	-23.7647	-10.9806	HAL2	7962	0	0	0	0.09	
-7964	H72	SLES	1	-5.88555	-24.6573	-9.63756	HAL2	7962	0	0	0	0.09	
-7965	C8	SLES	1	-6.64408	-22.6875	-9.0846	CTL2	7962	7966	7967	7968	-0.18	
-7966	H81	SLES	1	-7.60759	-22.1337	-9.16403	HAL2	7965	0	0	0	0.09	
-7967	H82	SLES	1	-6.47628	-22.934	-8.01142	HAL2	7965	0	0	0	0.09	
-7968	C9	SLES	1	-5.49384	-21.7758	-9.58059	CTL2	7965	7969	7970	7971	-0.18	
-7969	H91	SLES	1	-5.6465	-21.554	-10.6613	HAL2	7968	0	0	0	0.09	
-7970	H92	SLES	1	-4.52826	-22.3198	-9.47472	HAL2	7968	0	0	0	0.09	
-7971	C10	SLES	1	-5.4105	-20.443	-8.79937	CTL2	7968	7972	7973	7974	-0.18	
-7972	H10	SLES	1	-6.36802	-19.8878	-8.92435	HAL2	7971	0	0	0	0.09	
-7973	H10	SLES	1	-5.28003	-20.6642	-7.71581	HAL2	7971	0	0	0	0.09	
-7974	C11	SLES	1	-4.23842	-19.5459	-9.27817	CTL2	7971	7975	7976	7977	-0.18	
-7975	H11	SLES	1	-4.37713	-19.3219	-10.3606	HAL2	7974	0	0	0	0.09	
-7976	H11	SLES	1	-3.28531	-20.1119	-9.16809	HAL2	7974	0	0	0	0.09	
-7977	C12	SLES	1	-4.11782	-18.2085	-8.50257	CTL3	7974	7978	7979	7980	-0.27	
-7978	H12	SLES	1	-4.21252	-17.3473	-9.20016	HAL3	7977	0	0	0	0.09	
-7979	H12	SLES	1	-3.13116	-18.145	-7.99286	HAL3	7977	0	0	0	0.09	
-7980	H12	SLES	1	-4.91865	-18.1325	-7.73509	HAL3	7977	0	0	0	0.09	
-7981	NA	SLES	1	1.32835	-39.9149	-18.8976	NA	0	0	0	0	1	
-7982	S	SLES	1	-0.419184	-39.8835	-15.6889	SL	7983	7984	7985	7986	1.33	
-7983	OS1	SLES	1	0.346336	-38.5542	-16.363	OSL	7982	7987	0	0	-0.28	
-7984	OS2	SLES	1	-1.40597	-40.3198	-16.655	O2L	7982	0	0	0	-0.65	
-7985	OS3	SLES	1	0.600528	-40.8997	-15.5336	O2L	7982	0	0	0	-0.65	
-7986	OS4	SLES	1	-1.05939	-39.6254	-14.4091	O2L	7982	0	0	0	-0.65	
-7987	C2	SLES	1	0.0309875	-37.3255	-15.5812	CC32A	7983	7988	7989	7990	-0.11	
-7988	H2A	SLES	1	-1.08243	-37.179	-15.5038	HCA2	7987	0	0	0	0.09	
-7989	H2B	SLES	1	0.455982	-37.4421	-14.5458	HCA2	7987	0	0	0	0.09	
-7990	C1	SLES	1	0.694373	-36.0562	-16.2985	CC32A	7987	7991	7992	7993	-0.01	
-7991	H1B	SLES	1	0.341925	-35.9899	-17.3536	HCA2	7990	0	0	0	0.09	
-7992	H1A	SLES	1	1.80483	-36.1563	-16.2963	HCA2	7990	0	0	0	0.09	
-7993	O1	SLES	1	0.448382	-34.6975	-15.7776	OC30A	7990	7994	0	0	-0.34	
-7994	C2	SLES	1	-0.0432398	-34.6044	-14.424	CC32A	7993	7995	7996	7997	-0.01	
-7995	H2A	SLES	1	-1.00194	-35.1547	-14.4941	HCA2	7994	0	0	0	0.09	
-7996	H2B	SLES	1	0.687401	-35.2271	-13.8603	HCA2	7994	0	0	0	0.09	
-7997	C1	SLES	1	-0.271905	-33.2551	-13.6727	CC32A	7994	7998	7999	8000	-0.01	
-7998	H1B	SLES	1	-1.31438	-32.9058	-13.8379	HCA2	7997	0	0	0	0.09	
-7999	H1A	SLES	1	-0.117396	-33.4105	-12.5862	HCA2	7997	0	0	0	0.09	
-8000	O1	SLES	1	0.459182	-32.0266	-13.9874	OC30A	7997	8001	0	0	-0.34	
-8001	C1	SLES	1	0.655529	-31.1092	-12.8499	CTL2	8000	8002	8003	8004	-0.18	
-8002	H11	SLES	1	0.0256561	-31.4789	-12.0206	HAL2	8001	0	0	0	0.09	
-8003	H12	SLES	1	1.71994	-31.2983	-12.5998	HAL2	8001	0	0	0	0.09	
-8004	C2	SLES	1	0.418546	-29.5595	-13.0455	CTL2	8001	8005	8006	8007	-0.18	
-8005	H21	SLES	1	0.0743478	-29.3719	-14.0872	HAL2	8004	0	0	0	0.09	
-8006	H22	SLES	1	1.38337	-29.0254	-12.9023	HAL2	8004	0	0	0	0.09	
-8007	C3	SLES	1	-0.667353	-28.969	-12.0205	CTL2	8004	8008	8009	8010	-0.18	
-8008	H31	SLES	1	-1.6253	-28.8066	-12.5629	HAL2	8007	0	0	0	0.09	
-8009	H32	SLES	1	-0.851682	-29.7138	-11.2207	HAL2	8007	0	0	0	0.09	
-8010	C4	SLES	1	-0.214457	-27.6029	-11.3566	CTL2	8007	8011	8012	8013	-0.18	
-8011	H41	SLES	1	-0.7421	-26.7661	-11.8601	HAL2	8010	0	0	0	0.09	
-8012	H42	SLES	1	0.876737	-27.4642	-11.515	HAL2	8010	0	0	0	0.09	
-8013	C5	SLES	1	-0.521962	-27.5484	-9.79223	CTL2	8010	8014	8015	8016	-0.18	
-8014	H51	SLES	1	-1.27573	-28.3276	-9.54296	HAL2	8013	0	0	0	0.09	
-8015	H52	SLES	1	0.411157	-27.7829	-9.2308	HAL2	8013	0	0	0	0.09	
-8016	C6	SLES	1	-1.06393	-26.1461	-9.32178	CTL2	8013	8017	8018	8019	-0.18	
-8017	H61	SLES	1	-2.10634	-26.0177	-9.69052	HAL2	8016	0	0	0	0.09	
-8018	H62	SLES	1	-1.08904	-26.123	-8.2072	HAL2	8016	0	0	0	0.09	
-8019	C7	SLES	1	-0.191986	-24.9568	-9.8352	CTL2	8016	8020	8021	8022	-0.18	
-8020	H71	SLES	1	-0.477143	-24.7247	-10.8852	HAL2	8019	0	0	0	0.09	
-8021	H72	SLES	1	0.878391	-25.2611	-9.82915	HAL2	8019	0	0	0	0.09	
-8022	C8	SLES	1	-0.35857	-23.6796	-8.97461	CTL2	8019	8023	8024	8025	-0.18	
-8023	H81	SLES	1	-1.44328	-23.5028	-8.79147	HAL2	8022	0	0	0	0.09	
-8024	H82	SLES	1	0.135495	-23.838	-7.98899	HAL2	8022	0	0	0	0.09	
-8025	C9	SLES	1	0.251377	-22.4264	-9.65122	CTL2	8022	8026	8027	8028	-0.18	
-8026	H91	SLES	1	-0.222203	-22.2859	-10.6494	HAL2	8025	0	0	0	0.09	
-8027	H92	SLES	1	1.34089	-22.593	-9.80844	HAL2	8025	0	0	0	0.09	
-8028	C10	SLES	1	0.0531101	-21.1409	-8.81372	CTL2	8025	8029	8030	8031	-0.18	
-8029	H10	SLES	1	-1.03754	-20.9611	-8.67607	HAL2	8028	0	0	0	0.09	
-8030	H10	SLES	1	0.507048	-21.2886	-7.80767	HAL2	8028	0	0	0	0.09	
-8031	C11	SLES	1	0.692018	-19.8934	-9.4797	CTL2	8028	8032	8033	8034	-0.18	
-8032	H11	SLES	1	0.229882	-19.7458	-10.4826	HAL2	8031	0	0	0	0.09	
-8033	H11	SLES	1	1.77883	-20.0849	-9.6316	HAL2	8031	0	0	0	0.09	
-8034	C12	SLES	1	0.524628	-18.5904	-8.65581	CTL3	8031	8035	8036	8037	-0.27	
-8035	H12	SLES	1	-0.0258133	-17.8266	-9.2482	HAL3	8034	0	0	0	0.09	
-8036	H12	SLES	1	1.51981	-18.1763	-8.38106	HAL3	8034	0	0	0	0.09	
-8037	H12	SLES	1	-0.0447754	-18.7929	-7.72259	HAL3	8034	0	0	0	0.09	
-8038	NA	SLES	1	10.9973	-38.2695	-19.1465	NA	0	0	0	0	1	
-8039	S	SLES	1	10.1317	-38.6083	-15.6129	SL	8040	8041	8042	8043	1.33	
-8040	OS1	SLES	1	10.2032	-37.1497	-16.4344	OSL	8039	8044	0	0	-0.28	
-8041	OS2	SLES	1	9.17027	-39.4286	-16.3202	O2L	8039	0	0	0	-0.65	
-8042	OS3	SLES	1	11.4512	-39.195	-15.7182	O2L	8039	0	0	0	-0.65	
-8043	OS4	SLES	1	9.75122	-38.494	-14.2141	O2L	8039	0	0	0	-0.65	
-8044	C2	SLES	1	9.66123	-36.0519	-15.5851	CC32A	8040	8045	8046	8047	-0.11	
-8045	H2A	SLES	1	8.61682	-36.2939	-15.2419	HCA2	8044	0	0	0	0.09	
-8046	H2B	SLES	1	10.324	-35.9379	-14.6829	HCA2	8044	0	0	0	0.09	
-8047	C1	SLES	1	9.65141	-34.6879	-16.4249	CC32A	8044	8048	8049	8050	-0.01	
-8048	H1B	SLES	1	9.06777	-34.8252	-17.3642	HCA2	8047	0	0	0	0.09	
-8049	H1A	SLES	1	10.6949	-34.3975	-16.6895	HCA2	8047	0	0	0	0.09	
-8050	O1	SLES	1	9.067	-33.4636	-15.844	OC30A	8047	8051	0	0	-0.34	
-8051	C2	SLES	1	8.89645	-33.4469	-14.411	CC32A	8050	8052	8053	8054	-0.01	
-8052	H2A	SLES	1	8.20496	-34.2982	-14.2564	HCA2	8051	0	0	0	0.09	
-8053	H2B	SLES	1	9.90779	-33.7354	-14.0459	HCA2	8051	0	0	0	0.09	
-8054	C1	SLES	1	8.38358	-32.2085	-13.6107	CC32A	8051	8055	8056	8057	-0.01	
-8055	H1B	SLES	1	7.27665	-32.2542	-13.5175	HCA2	8054	0	0	0	0.09	
-8056	H1A	SLES	1	8.82623	-32.2206	-12.5946	HCA2	8054	0	0	0	0.09	
-8057	O1	SLES	1	8.54133	-30.8296	-14.0762	OC30A	8054	8058	0	0	-0.34	
-8058	C1	SLES	1	8.65467	-29.82	-13.0077	CTL2	8057	8059	8060	8061	-0.18	
-8059	H11	SLES	1	8.40266	-30.3225	-12.0563	HAL2	8058	0	0	0	0.09	
-8060	H12	SLES	1	9.74426	-29.6105	-13.0217	HAL2	8058	0	0	0	0.09	
-8061	C2	SLES	1	7.8477	-28.4665	-13.1223	CTL2	8058	8062	8063	8064	-0.18	
-8062	H21	SLES	1	7.23179	-28.4866	-14.0491	HAL2	8061	0	0	0	0.09	
-8063	H22	SLES	1	8.56715	-27.6229	-13.2075	HAL2	8061	0	0	0	0.09	
-8064	C3	SLES	1	6.8874	-28.2142	-11.8603	CTL2	8061	8065	8066	8067	-0.18	
-8065	H31	SLES	1	5.8372	-28.4332	-12.1559	HAL2	8064	0	0	0	0.09	
-8066	H32	SLES	1	7.16541	-28.9158	-11.0487	HAL2	8064	0	0	0	0.09	
-8067	C4	SLES	1	6.96708	-26.7308	-11.3076	CTL2	8064	8068	8069	8070	-0.18	
-8068	H41	SLES	1	6.07803	-26.1674	-11.6601	HAL2	8067	0	0	0	0.09	
-8069	H42	SLES	1	7.87213	-26.2356	-11.7206	HAL2	8067	0	0	0	0.09	
-8070	C5	SLES	1	7.02524	-26.6711	-9.7145	CTL2	8067	8071	8072	8073	-0.18	
-8071	H51	SLES	1	6.6733	-27.6422	-9.30163	HAL2	8070	0	0	0	0.09	
-8072	H52	SLES	1	8.08271	-26.5267	-9.39535	HAL2	8070	0	0	0	0.09	
-8073	C6	SLES	1	6.14539	-25.5121	-9.11125	CTL2	8070	8074	8075	8076	-0.18	
-8074	H61	SLES	1	5.07016	-25.7794	-9.21845	HAL2	8073	0	0	0	0.09	
-8075	H62	SLES	1	6.3684	-25.4172	-8.0228	HAL2	8073	0	0	0	0.09	
-8076	C7	SLES	1	6.39953	-24.1359	-9.8039	CTL2	8073	8077	8078	8079	-0.18	
-8077	H71	SLES	1	5.81956	-24.0945	-10.7524	HAL2	8076	0	0	0	0.09	
-8078	H72	SLES	1	7.47962	-24.0501	-10.0576	HAL2	8076	0	0	0	0.09	
-8079	C8	SLES	1	5.99336	-22.9354	-8.91312	CTL2	8076	8080	8081	8082	-0.18	
-8080	H81	SLES	1	4.98839	-23.1315	-8.4738	HAL2	8079	0	0	0	0.09	
-8081	H82	SLES	1	6.72217	-22.8403	-8.07622	HAL2	8079	0	0	0	0.09	
-8082	C9	SLES	1	5.95002	-21.602	-9.70081	CTL2	8079	8083	8084	8085	-0.18	
-8083	H91	SLES	1	5.24326	-21.7077	-10.555	HAL2	8082	0	0	0	0.09	
-8084	H92	SLES	1	6.96164	-21.3928	-10.116	HAL2	8082	0	0	0	0.09	
-8085	C10	SLES	1	5.50689	-20.4063	-8.82477	CTL2	8082	8086	8087	8088	-0.18	
-8086	H10	SLES	1	4.48513	-20.6051	-8.42816	HAL2	8085	0	0	0	0.09	
-8087	H10	SLES	1	6.2002	-20.3137	-7.9583	HAL2	8085	0	0	0	0.09	
-8088	C11	SLES	1	5.49426	-19.0675	-9.60912	CTL2	8085	8089	8090	8091	-0.18	
-8089	H11	SLES	1	4.79431	-19.1629	-10.4706	HAL2	8088	0	0	0	0.09	
-8090	H11	SLES	1	6.51345	-18.8821	-10.0188	HAL2	8088	0	0	0	0.09	
-8091	C12	SLES	1	5.06989	-17.8458	-8.75347	CTL3	8088	8092	8093	8094	-0.27	
-8092	H12	SLES	1	4.16567	-17.3651	-9.18781	HAL3	8091	0	0	0	0.09	
-8093	H12	SLES	1	5.88924	-17.0943	-8.71968	HAL3	8091	0	0	0	0.09	
-8094	H12	SLES	1	4.83739	-18.1635	-7.71368	HAL3	8091	0	0	0	0.09	
-8095	NA	SLES	1	19.9368	-34.4151	-19.2409	NA	0	0	0	0	1	
-8096	S	SLES	1	19.9804	-34.565	-15.5904	SL	8097	8098	8099	8100	1.33	
-8097	OS1	SLES	1	19.3557	-33.2886	-16.478	OSL	8096	8101	0	0	-0.28	
-8098	OS2	SLES	1	19.2573	-35.7473	-16.0108	O2L	8096	0	0	0	-0.65	
-8099	OS3	SLES	1	21.3726	-34.6778	-15.972	O2L	8096	0	0	0	-0.65	
-8100	OS4	SLES	1	19.8739	-34.4057	-14.1489	O2L	8096	0	0	0	-0.65	
-8101	C2	SLES	1	18.6377	-32.3391	-15.5817	CC32A	8097	8102	8103	8104	-0.11	
-8102	H2A	SLES	1	17.8422	-32.8742	-14.9919	HCA2	8101	0	0	0	0.09	
-8103	H2B	SLES	1	19.382	-31.8908	-14.8666	HCA2	8101	0	0	0	0.09	
-8104	C1	SLES	1	17.9693	-31.1807	-16.4634	CC32A	8101	8105	8106	8107	-0.01	
-8105	H1B	SLES	1	17.298	-31.6287	-17.2318	HCA2	8104	0	0	0	0.09	
-8106	H1A	SLES	1	18.7624	-30.5907	-16.9791	HCA2	8104	0	0	0	0.09	
-8107	O1	SLES	1	17.1132	-30.1627	-15.824	OC30A	8104	8108	0	0	-0.34	
-8108	C2	SLES	1	17.2399	-30.0188	-14.3937	CC32A	8107	8109	8110	8111	-0.01	
-8109	H2A	SLES	1	16.9472	-31.0264	-14.0389	HCA2	8108	0	0	0	0.09	
-8110	H2B	SLES	1	18.3386	-29.8971	-14.2614	HCA2	8108	0	0	0	0.09	
-8111	C1	SLES	1	16.488	-28.9348	-13.5588	CC32A	8108	8112	8113	8114	-0.01	
-8112	H1B	SLES	1	15.5146	-29.3407	-13.2069	HCA2	8111	0	0	0	0.09	
-8113	H1A	SLES	1	17.1	-28.6639	-12.6752	HCA2	8111	0	0	0	0.09	
-8114	O1	SLES	1	16.0422	-27.6572	-14.117	OC30A	8111	8115	0	0	-0.34	
-8115	C1	SLES	1	15.9971	-26.5391	-13.1568	CTL2	8114	8116	8117	8118	-0.18	
-8116	H11	SLES	1	16.1395	-26.9692	-12.1489	HAL2	8115	0	0	0	0.09	
-8117	H12	SLES	1	16.9117	-25.9763	-13.436	HAL2	8115	0	0	0	0.09	
-8118	C2	SLES	1	14.7519	-25.5667	-13.1472	CTL2	8115	8119	8120	8121	-0.18	
-8119	H21	SLES	1	14.0116	-25.9148	-13.9019	HAL2	8118	0	0	0	0.09	
-8120	H22	SLES	1	15.0868	-24.5477	-13.4408	HAL2	8118	0	0	0	0.09	
-8121	C3	SLES	1	14.0399	-25.4932	-11.7098	CTL2	8118	8122	8123	8124	-0.18	
-8122	H31	SLES	1	13.1024	-26.0919	-11.74	HAL2	8121	0	0	0	0.09	
-8123	H32	SLES	1	14.7088	-25.9471	-10.9516	HAL2	8121	0	0	0	0.09	
-8124	C4	SLES	1	13.6901	-24.0123	-11.2663	CTL2	8121	8125	8126	8127	-0.18	
-8125	H41	SLES	1	12.6065	-23.8347	-11.4288	HAL2	8124	0	0	0	0.09	
-8126	H42	SLES	1	14.2535	-23.2976	-11.9041	HAL2	8124	0	0	0	0.09	
-8127	C5	SLES	1	14.0419	-23.7298	-9.73622	CTL2	8124	8128	8129	8130	-0.18	
-8128	H51	SLES	1	14.1535	-24.7003	-9.20417	HAL2	8127	0	0	0	0.09	
-8129	H52	SLES	1	15.0176	-23.1952	-9.68115	HAL2	8127	0	0	0	0.09	
-8130	C6	SLES	1	12.9446	-22.8699	-9.00279	CTL2	8127	8131	8132	8133	-0.18	
-8131	H61	SLES	1	12.0395	-23.4976	-8.84175	HAL2	8130	0	0	0	0.09	
-8132	H62	SLES	1	13.3325	-22.5644	-8.00297	HAL2	8130	0	0	0	0.09	
-8133	C7	SLES	1	12.5418	-21.5916	-9.80395	CTL2	8130	8134	8135	8136	-0.18	
-8134	H71	SLES	1	11.8078	-21.8731	-10.5912	HAL2	8133	0	0	0	0.09	
-8135	H72	SLES	1	13.444	-21.1783	-10.3074	HAL2	8133	0	0	0	0.09	
-8136	C8	SLES	1	11.919	-20.495	-8.90432	CTL2	8133	8137	8138	8139	-0.18	
-8137	H81	SLES	1	11.1622	-20.9614	-8.23268	HAL2	8136	0	0	0	0.09	
-8138	H82	SLES	1	12.7171	-20.0505	-8.26714	HAL2	8136	0	0	0	0.09	
-8139	C9	SLES	1	11.2415	-19.3698	-9.72596	CTL2	8136	8140	8141	8142	-0.18	
-8140	H91	SLES	1	10.4638	-19.819	-10.3846	HAL2	8139	0	0	0	0.09	
-8141	H92	SLES	1	12.0045	-18.8857	-10.3764	HAL2	8139	0	0	0	0.09	
-8142	C10	SLES	1	10.5838	-18.2922	-8.83175	CTL2	8139	8143	8144	8145	-0.18	
-8143	H10	SLES	1	9.80404	-18.7723	-8.19751	HAL2	8142	0	0	0	0.09	
-8144	H10	SLES	1	11.3564	-17.8581	-8.15744	HAL2	8142	0	0	0	0.09	
-8145	C11	SLES	1	9.93295	-17.151	-9.65761	CTL2	8142	8146	8147	8148	-0.18	
-8146	H11	SLES	1	9.15634	-17.5893	-10.3253	HAL2	8145	0	0	0	0.09	
-8147	H11	SLES	1	10.7125	-16.6859	-10.3033	HAL2	8145	0	0	0	0.09	
-8148	C12	SLES	1	9.27889	-16.0455	-8.7889	CTL3	8145	8149	8150	8151	-0.27	
-8149	H12	SLES	1	8.19477	-15.9608	-9.0231	HAL3	8148	0	0	0	0.09	
-8150	H12	SLES	1	9.76187	-15.063	-8.98566	HAL3	8148	0	0	0	0.09	
-8151	H12	SLES	1	9.39038	-16.2852	-7.70896	HAL3	8148	0	0	0	0.09	
-8152	NA	SLES	1	27.715	-28.571	-19.1743	NA	0	0	0	0	1	
-8153	S	SLES	1	28.3957	-28.0468	-15.6229	SL	8154	8155	8156	8157	1.33	
-8154	OS1	SLES	1	27.216	-27.233	-16.4909	OSL	8153	8158	0	0	-0.28	
-8155	OS2	SLES	1	28.0943	-29.4578	-15.748	O2L	8153	0	0	0	-0.65	
-8156	OS3	SLES	1	29.653	-27.752	-16.2778	O2L	8153	0	0	0	-0.65	
-8157	OS4	SLES	1	28.4715	-27.6792	-14.2181	O2L	8153	0	0	0	-0.65	
-8158	C2	SLES	1	26.3559	-26.4362	-15.5713	CC32A	8154	8159	8160	8161	-0.11	
-8159	H2A	SLES	1	25.9151	-27.0934	-14.7707	HCA2	8158	0	0	0	0.09	
-8160	H2B	SLES	1	26.9907	-25.6449	-15.0845	HCA2	8158	0	0	0	0.09	
-8161	C1	SLES	1	25.1799	-25.7453	-16.4113	CC32A	8158	8162	8163	8164	-0.01	
-8162	H1B	SLES	1	24.6034	-26.5214	-16.9654	HCA2	8161	0	0	0	0.09	
-8163	H1A	SLES	1	25.6104	-25.025	-17.1454	HCA2	8161	0	0	0	0.09	
-8164	O1	SLES	1	24.1269	-24.977	-15.7192	OC30A	8161	8165	0	0	-0.34	
-8165	C2	SLES	1	24.4205	-24.5473	-14.3732	CC32A	8164	8166	8167	8168	-0.01	
-8166	H2A	SLES	1	24.5751	-25.5147	-13.8564	HCA2	8165	0	0	0	0.09	
-8167	H2B	SLES	1	25.4057	-24.0427	-14.4921	HCA2	8165	0	0	0	0.09	
-8168	C1	SLES	1	23.4706	-23.6483	-13.5206	CC32A	8165	8169	8170	8171	-0.01	
-8169	H1B	SLES	1	22.7814	-24.2878	-12.9272	HCA2	8168	0	0	0	0.09	
-8170	H1A	SLES	1	24.0756	-23.0355	-12.8227	HCA2	8168	0	0	0	0.09	
-8171	O1	SLES	1	22.5075	-22.7149	-14.107	OC30A	8168	8172	0	0	-0.34	
-8172	C1	SLES	1	22.2139	-21.5251	-13.2872	CTL2	8171	8173	8174	8175	-0.18	
-8173	H11	SLES	1	22.6627	-21.6962	-12.292	HAL2	8172	0	0	0	0.09	
-8174	H12	SLES	1	22.8038	-20.7472	-13.8145	HAL2	8172	0	0	0	0.09	
-8175	C2	SLES	1	20.7193	-21.0413	-13.1185	CTL2	8172	8176	8177	8178	-0.18	
-8176	H21	SLES	1	20.0453	-21.7457	-13.6555	HAL2	8175	0	0	0	0.09	
-8177	H22	SLES	1	20.6091	-20.0384	-13.5861	HAL2	8175	0	0	0	0.09	
-8178	C3	SLES	1	20.27	-20.9569	-11.5792	CTL2	8175	8179	8180	8181	-0.18	
-8179	H31	SLES	1	19.6225	-21.8306	-11.3434	HAL2	8178	0	0	0	0.09	
-8180	H32	SLES	1	21.1705	-21.0178	-10.9361	HAL2	8178	0	0	0	0.09	
-8181	C4	SLES	1	19.4819	-19.6253	-11.2357	CTL2	8178	8182	8183	8184	-0.18	
-8182	H41	SLES	1	18.3969	-19.8533	-11.182	HAL2	8181	0	0	0	0.09	
-8183	H42	SLES	1	19.6367	-18.8884	-12.053	HAL2	8181	0	0	0	0.09	
-8184	C5	SLES	1	19.9477	-18.9742	-9.85591	CTL2	8181	8185	8186	8187	-0.18	
-8185	H51	SLES	1	20.4884	-19.7402	-9.25723	HAL2	8184	0	0	0	0.09	
-8186	H52	SLES	1	20.6576	-18.1425	-10.0687	HAL2	8184	0	0	0	0.09	
-8187	C6	SLES	1	18.746	-18.4164	-9.00381	CTL2	8184	8188	8189	8190	-0.18	
-8188	H61	SLES	1	18.1694	-19.2721	-8.58608	HAL2	8187	0	0	0	0.09	
-8189	H62	SLES	1	19.1514	-17.8261	-8.14907	HAL2	8187	0	0	0	0.09	
-8190	C7	SLES	1	17.7831	-17.5111	-9.83534	CTL2	8187	8191	8192	8193	-0.18	
-8191	H71	SLES	1	17.0854	-18.1575	-10.4126	HAL2	8190	0	0	0	0.09	
-8192	H72	SLES	1	18.38	-16.9155	-10.5616	HAL2	8190	0	0	0	0.09	
-8193	C8	SLES	1	16.9575	-16.5457	-8.94882	CTL2	8190	8194	8195	8196	-0.18	
-8194	H81	SLES	1	16.5403	-17.1117	-8.08453	HAL2	8193	0	0	0	0.09	
-8195	H82	SLES	1	17.6306	-15.7535	-8.54876	HAL2	8193	0	0	0	0.09	
-8196	C9	SLES	1	15.7948	-15.8778	-9.72497	CTL2	8193	8197	8198	8199	-0.18	
-8197	H91	SLES	1	15.1387	-16.6712	-10.1497	HAL2	8196	0	0	0	0.09	
-8198	H92	SLES	1	16.2146	-15.2895	-10.5719	HAL2	8196	0	0	0	0.09	
-8199	C10	SLES	1	14.9431	-14.9426	-8.8342	CTL2	8196	8200	8201	8202	-0.18	
-8200	H10	SLES	1	14.504	-15.5357	-7.99984	HAL2	8199	0	0	0	0.09	
-8201	H10	SLES	1	15.6026	-14.1621	-8.39151	HAL2	8199	0	0	0	0.09	
-8202	C11	SLES	1	13.7985	-14.2517	-9.62188	CTL2	8199	8203	8204	8205	-0.18	
-8203	H11	SLES	1	13.1379	-15.0363	-10.0569	HAL2	8202	0	0	0	0.09	
-8204	H11	SLES	1	14.2412	-13.6746	-10.4656	HAL2	8202	0	0	0	0.09	
-8205	C12	SLES	1	12.9359	-13.294	-8.75969	CTL3	8202	8206	8207	8208	-0.27	
-8206	H12	SLES	1	11.8727	-13.6208	-8.76529	HAL3	8205	0	0	0	0.09	
-8207	H12	SLES	1	12.9904	-12.2579	-9.16087	HAL3	8205	0	0	0	0.09	
-8208	H12	SLES	1	13.2988	-13.2865	-7.70876	HAL3	8205	0	0	0	0.09	
-8209	NA	SLES	1	33.9343	-21.0094	-18.9514	NA	0	0	0	0	1	
-8210	S	SLES	1	34.761	-19.5432	-15.7083	SL	8211	8212	8213	8214	1.33	
-8211	OS1	SLES	1	33.279	-19.3771	-16.4722	OSL	8210	8215	0	0	-0.28	
-8212	OS2	SLES	1	34.9814	-20.9658	-15.5497	O2L	8210	0	0	0	-0.65	
-8213	OS3	SLES	1	35.7456	-18.9906	-16.6148	O2L	8210	0	0	0	-0.65	
-8214	OS4	SLES	1	34.8508	-18.881	-14.4169	O2L	8210	0	0	0	-0.65	
-8215	C2	SLES	1	32.294	-18.7383	-15.5546	CC32A	8211	8216	8217	8218	-0.11	
-8216	H2A	SLES	1	32.2124	-19.3186	-14.5935	HCA2	8215	0	0	0	0.09	
-8217	H2B	SLES	1	32.6468	-17.6955	-15.3217	HCA2	8215	0	0	0	0.09	
-8218	C1	SLES	1	30.8632	-18.6777	-16.2722	CC32A	8215	8219	8220	8221	-0.01	
-8219	H1B	SLES	1	30.5514	-19.7013	-16.5832	HCA2	8218	0	0	0	0.09	
-8220	H1A	SLES	1	30.9195	-18.0288	-17.1771	HCA2	8218	0	0	0	0.09	
-8221	O1	SLES	1	29.6853	-18.1784	-15.5366	OC30A	8218	8222	0	0	-0.34	
-8222	C2	SLES	1	29.9476	-17.3987	-14.3508	CC32A	8221	8223	8224	8225	-0.01	
-8223	H2A	SLES	1	30.4987	-18.1245	-13.7212	HCA2	8222	0	0	0	0.09	
-8224	H2B	SLES	1	30.6627	-16.6306	-14.7223	HCA2	8222	0	0	0	0.09	
-8225	C1	SLES	1	28.835	-16.7107	-13.4987	CC32A	8222	8226	8227	8228	-0.01	
-8226	H1B	SLES	1	28.4946	-17.4022	-12.6975	HCA2	8225	0	0	0	0.09	
-8227	H1A	SLES	1	29.2481	-15.7967	-13.027	HCA2	8225	0	0	0	0.09	
-8228	O1	SLES	1	27.5406	-16.3021	-14.0469	OC30A	8225	8229	0	0	-0.34	
-8229	C1	SLES	1	26.926	-15.1341	-13.3898	CTL2	8228	8230	8231	8232	-0.18	
-8230	H11	SLES	1	27.5121	-14.9284	-12.4757	HAL2	8229	0	0	0	0.09	
-8231	H12	SLES	1	27.1315	-14.3347	-14.1315	HAL2	8229	0	0	0	0.09	
-8232	C2	SLES	1	25.3858	-15.1554	-13.0383	CTL2	8229	8233	8234	8235	-0.18	
-8233	H21	SLES	1	24.9597	-16.1423	-13.3269	HAL2	8232	0	0	0	0.09	
-8234	H22	SLES	1	24.8683	-14.3717	-13.6338	HAL2	8232	0	0	0	0.09	
-8235	C3	SLES	1	25.1074	-14.9006	-11.4775	CTL2	8232	8236	8237	8238	-0.18	
-8236	H31	SLES	1	24.8516	-15.8692	-10.9933	HAL2	8235	0	0	0	0.09	
-8237	H32	SLES	1	26.0329	-14.5174	-11.0033	HAL2	8235	0	0	0	0.09	
-8238	C4	SLES	1	23.9317	-13.8698	-11.2178	CTL2	8235	8239	8240	8241	-0.18	
-8239	H41	SLES	1	23.0166	-14.4314	-10.9363	HAL2	8238	0	0	0	0.09	
-8240	H42	SLES	1	23.718	-13.3158	-12.1572	HAL2	8238	0	0	0	0.09	
-8241	C5	SLES	1	24.2766	-12.822	-10.0654	CTL2	8238	8242	8243	8244	-0.18	
-8242	H51	SLES	1	25.1206	-13.216	-9.45719	HAL2	8241	0	0	0	0.09	
-8243	H52	SLES	1	24.6079	-11.8661	-10.5317	HAL2	8241	0	0	0	0.09	
-8244	C6	SLES	1	23.055	-12.5316	-9.11423	CTL2	8241	8245	8246	8247	-0.18	
-8245	H61	SLES	1	22.8782	-13.4212	-8.46886	HAL2	8244	0	0	0	0.09	
-8246	H62	SLES	1	23.3089	-11.6718	-8.45115	HAL2	8244	0	0	0	0.09	
-8247	C7	SLES	1	21.7444	-12.2009	-9.89594	CTL2	8244	8248	8249	8250	-0.18	
-8248	H71	SLES	1	21.2709	-13.1511	-10.2287	HAL2	8247	0	0	0	0.09	
-8249	H72	SLES	1	22.0009	-11.609	-10.8027	HAL2	8247	0	0	0	0.09	
-8250	C8	SLES	1	20.7263	-11.403	-9.04357	CTL2	8247	8251	8252	8253	-0.18	
-8251	H81	SLES	1	20.6405	-11.8782	-8.03945	HAL2	8250	0	0	0	0.09	
-8252	H82	SLES	1	21.1048	-10.3651	-8.90189	HAL2	8250	0	0	0	0.09	
-8253	C9	SLES	1	19.3232	-11.3455	-9.6979	CTL2	8250	8254	8255	8256	-0.18	
-8254	H91	SLES	1	18.9582	-12.3841	-9.86632	HAL2	8253	0	0	0	0.09	
-8255	H92	SLES	1	19.4053	-10.8454	-10.6892	HAL2	8253	0	0	0	0.09	
-8256	C10	SLES	1	18.2925	-10.5831	-8.83194	CTL2	8253	8257	8258	8259	-0.18	
-8257	H10	SLES	1	18.1928	-11.0968	-7.84862	HAL2	8256	0	0	0	0.09	
-8258	H10	SLES	1	18.6673	-9.55134	-8.64457	HAL2	8256	0	0	0	0.09	
-8259	C11	SLES	1	16.8964	-10.5009	-9.50435	CTL2	8256	8260	8261	8262	-0.18	
-8260	H11	SLES	1	16.523	-11.5351	-9.6834	HAL2	8259	0	0	0	0.09	
-8261	H11	SLES	1	17.0042	-10.0026	-10.4949	HAL2	8259	0	0	0	0.09	
-8262	C12	SLES	1	15.8444	-9.72756	-8.66782	CTL3	8259	8263	8264	8265	-0.27	
-8263	H12	SLES	1	14.9788	-10.3852	-8.43195	HAL3	8262	0	0	0	0.09	
-8264	H12	SLES	1	15.4744	-8.84402	-9.23336	HAL3	8262	0	0	0	0.09	
-8265	H12	SLES	1	16.292	-9.37507	-7.7131	HAL3	8262	0	0	0	0.09	
-8266	NA	SLES	1	38.2219	-12.0699	-18.5873	NA	0	0	0	0	1	
-8267	S	SLES	1	38.6277	-9.6945	-15.8408	SL	8268	8269	8270	8271	1.33	
-8268	OS1	SLES	1	37.1488	-10.2246	-16.4232	OSL	8267	8272	0	0	-0.28	
-8269	OS2	SLES	1	39.3528	-10.8788	-15.4294	O2L	8267	0	0	0	-0.65	
-8270	OS3	SLES	1	39.3007	-9.06924	-16.96	O2L	8267	0	0	0	-0.65	
-8271	OS4	SLES	1	38.5381	-8.75841	-14.7317	O2L	8267	0	0	0	-0.65	
-8272	C2	SLES	1	36.0474	-9.76186	-15.5327	CC32A	8268	8273	8274	8275	-0.11	
-8273	H2A	SLES	1	36.2284	-10.0933	-14.4722	HCA2	8272	0	0	0	0.09	
-8274	H2B	SLES	1	36.0127	-8.6375	-15.5621	HCA2	8272	0	0	0	0.09	
-8275	C1	SLES	1	34.6564	-10.3599	-16.0555	CC32A	8272	8276	8277	8278	-0.01	
-8276	H1B	SLES	1	34.7185	-11.4711	-16.1112	HCA2	8275	0	0	0	0.09	
-8277	H1A	SLES	1	34.4301	-9.9613	-17.0719	HCA2	8275	0	0	0	0.09	
-8278	O1	SLES	1	33.4163	-10.1322	-15.2886	OC30A	8275	8279	0	0	-0.34	
-8279	C2	SLES	1	33.4398	-9.05527	-14.3282	CC32A	8278	8280	8281	8282	-0.01	
-8280	H2A	SLES	1	34.246	-9.38228	-13.6426	HCA2	8279	0	0	0	0.09	
-8281	H2B	SLES	1	33.8112	-8.19987	-14.9363	HCA2	8279	0	0	0	0.09	
-8282	C1	SLES	1	32.1986	-8.60623	-13.4946	CC32A	8279	8283	8284	8285	-0.01	
-8283	H1B	SLES	1	32.1704	-9.16424	-12.5334	HCA2	8282	0	0	0	0.09	
-8284	H1A	SLES	1	32.2784	-7.5229	-13.2741	HCA2	8282	0	0	0	0.09	
-8285	O1	SLES	1	30.8181	-8.8013	-13.9407	OC30A	8282	8286	0	0	-0.34	
-8286	C1	SLES	1	29.8583	-7.79164	-13.4577	CTL2	8285	8287	8288	8289	-0.18	
-8287	H11	SLES	1	30.3763	-7.19155	-12.6878	HAL2	8286	0	0	0	0.09	
-8288	H12	SLES	1	29.7249	-7.16727	-14.3652	HAL2	8286	0	0	0	0.09	
-8289	C2	SLES	1	28.4486	-8.25117	-12.9119	CTL2	8286	8290	8291	8292	-0.18	
-8290	H21	SLES	1	28.3921	-9.36243	-12.9383	HAL2	8289	0	0	0	0.09	
-8291	H22	SLES	1	27.6546	-7.852	-13.5804	HAL2	8289	0	0	0	0.09	
-8292	C3	SLES	1	28.176	-7.74803	-11.4116	CTL2	8289	8293	8294	8295	-0.18	
-8293	H31	SLES	1	28.3104	-8.60404	-10.7134	HAL2	8292	0	0	0	0.09	
-8294	H32	SLES	1	28.9243	-6.97406	-11.1484	HAL2	8292	0	0	0	0.09	
-8295	C4	SLES	1	26.7228	-7.14679	-11.2139	CTL2	8292	8296	8297	8298	-0.18	
-8296	H41	SLES	1	26.0864	-7.90302	-10.7087	HAL2	8295	0	0	0	0.09	
-8297	H42	SLES	1	26.2772	-6.93442	-12.2095	HAL2	8295	0	0	0	0.09	
-8298	C5	SLES	1	26.7252	-5.8054	-10.3505	CTL2	8295	8299	8300	8301	-0.18	
-8299	H51	SLES	1	27.6838	-5.73575	-9.79042	HAL2	8298	0	0	0	0.09	
-8300	H52	SLES	1	26.6666	-4.93119	-11.0384	HAL2	8298	0	0	0	0.09	
-8301	C6	SLES	1	25.5304	-5.73245	-9.32653	CTL2	8298	8302	8303	8304	-0.18	
-8302	H61	SLES	1	25.7181	-6.45186	-8.4981	HAL2	8301	0	0	0	0.09	
-8303	H62	SLES	1	25.4909	-4.7077	-8.88861	HAL2	8301	0	0	0	0.09	
-8304	C7	SLES	1	24.151	-6.05866	-9.98161	CTL2	8301	8305	8306	8307	-0.18	
-8305	H71	SLES	1	24.0349	-7.16289	-10.0521	HAL2	8304	0	0	0	0.09	
-8306	H72	SLES	1	24.1315	-5.6446	-11.0143	HAL2	8304	0	0	0	0.09	
-8307	C8	SLES	1	22.9583	-5.4774	-9.18212	CTL2	8304	8308	8309	8310	-0.18	
-8308	H81	SLES	1	23.0997	-5.7044	-8.10051	HAL2	8307	0	0	0	0.09	
-8309	H82	SLES	1	22.9447	-4.37017	-9.30244	HAL2	8307	0	0	0	0.09	
-8310	C9	SLES	1	21.5974	-6.05398	-9.6466	CTL2	8307	8311	8312	8313	-0.18	
-8311	H91	SLES	1	21.6224	-7.16354	-9.55386	HAL2	8310	0	0	0	0.09	
-8312	H92	SLES	1	21.4442	-5.80251	-10.7203	HAL2	8310	0	0	0	0.09	
-8313	C10	SLES	1	20.4064	-5.5062	-8.82513	CTL2	8310	8314	8315	8316	-0.18	
-8314	H10	SLES	1	20.5477	-5.77792	-7.75416	HAL2	8313	0	0	0	0.09	
-8315	H10	SLES	1	20.3938	-4.39518	-8.89936	HAL2	8313	0	0	0	0.09	
-8316	C11	SLES	1	19.0422	-6.06216	-9.31304	CTL2	8313	8317	8318	8319	-0.18	
-8317	H11	SLES	1	19.0574	-7.17304	-9.23039	HAL2	8316	0	0	0	0.09	
-8318	H11	SLES	1	18.9136	-5.80353	-10.3889	HAL2	8316	0	0	0	0.09	
-8319	C12	SLES	1	17.8259	-5.51856	-8.51956	CTL3	8316	8320	8321	8322	-0.27	
-8320	H12	SLES	1	17.2679	-6.35613	-8.04581	HAL3	8319	0	0	0	0.09	
-8321	H12	SLES	1	17.135	-4.97139	-9.1982	HAL3	8319	0	0	0	0.09	
-8322	H12	SLES	1	18.1642	-4.82209	-7.72166	HAL3	8319	0	0	0	0.09	
-8323	NA	SLES	1	34.1849	-2.18434	-27.9053	NA	0	0	0	0	1	
-8324	S	SLES	1	34.2515	0.768073	-25.7537	SL	8325	8326	8327	8328	1.33	
-8325	OS1	SLES	1	33.0158	-0.363386	-25.7705	OSL	8324	8329	0	0	-0.28	
-8326	OS2	SLES	1	35.4654	0.0424865	-25.4413	O2L	8324	0	0	0	-0.65	
-8327	OS3	SLES	1	34.3284	1.30044	-27.0981	O2L	8324	0	0	0	-0.65	
-8328	OS4	SLES	1	34.0635	1.85171	-24.8025	O2L	8324	0	0	0	-0.65	
-8329	C2	SLES	1	32.0699	-0.111291	-24.6471	CC32A	8325	8330	8331	8332	-0.11	
-8330	H2A	SLES	1	32.6168	-0.0958529	-23.6634	HCA2	8329	0	0	0	0.09	
-8331	H2B	SLES	1	31.5823	0.889903	-24.8087	HCA2	8329	0	0	0	0.09	
-8332	C1	SLES	1	30.9534	-1.25975	-24.6267	CC32A	8329	8333	8334	8335	-0.01	
-8333	H1B	SLES	1	31.4397	-2.2599	-24.5555	HCA2	8332	0	0	0	0.09	
-8334	H1A	SLES	1	30.3502	-1.2194	-25.5634	HCA2	8332	0	0	0	0.09	
-8335	O1	SLES	1	29.9492	-1.29844	-23.546	OC30A	8332	8336	0	0	-0.34	
-8336	C2	SLES	1	29.7693	-0.0835074	-22.7882	CC32A	8335	8337	8338	8339	-0.01	
-8337	H2A	SLES	1	30.7775	0.0623772	-22.3535	HCA2	8336	0	0	0	0.09	
-8338	H2B	SLES	1	29.6097	0.675615	-23.5868	HCA2	8336	0	0	0	0.09	
-8339	C1	SLES	1	28.6914	0.0942148	-21.6729	CC32A	8336	8340	8341	8342	-0.01	
-8340	H1B	SLES	1	29.1201	-0.192016	-20.6879	HCA2	8339	0	0	0	0.09	
-8341	H1A	SLES	1	28.3814	1.15752	-21.6298	HCA2	8339	0	0	0	0.09	
-8342	O1	SLES	1	27.4414	-0.666656	-21.6353	OC30A	8339	8343	0	0	-0.34	
-8343	C1	SLES	1	26.3041	0.0332149	-21.0101	CTL2	8342	8344	8345	8346	-0.18	
-8344	H11	SLES	1	26.7067	0.940877	-20.5251	HAL2	8343	0	0	0	0.09	
-8345	H12	SLES	1	25.7188	0.336632	-21.9027	HAL2	8343	0	0	0	0.09	
-8346	C2	SLES	1	25.3718	-0.740536	-19.9961	CTL2	8343	8347	8348	8349	-0.18	
-8347	H21	SLES	1	25.7602	-1.77472	-19.8602	HAL2	8346	0	0	0	0.09	
-8348	H22	SLES	1	24.3496	-0.812638	-20.4278	HAL2	8346	0	0	0	0.09	
-8349	C3	SLES	1	25.2889	-0.0194775	-18.5637	CTL2	8346	8350	8351	8352	-0.18	
-8350	H31	SLES	1	25.9177	-0.582784	-17.8387	HAL2	8349	0	0	0	0.09	
-8351	H32	SLES	1	25.7042	1.00439	-18.65	HAL2	8349	0	0	0	0.09	
-8352	C4	SLES	1	23.8103	0.0710401	-18	CTL2	8349	8353	8354	8355	-0.18	
-8353	H41	SLES	1	23.6711	-0.714336	-17.228	HAL2	8352	0	0	0	0.09	
-8354	H42	SLES	1	23.0925	-0.128388	-18.8246	HAL2	8352	0	0	0	0.09	
-8355	C5	SLES	1	23.4826	1.49546	-17.3609	CTL2	8352	8356	8357	8358	-0.18	
-8356	H51	SLES	1	24.4369	2.02394	-17.1431	HAL2	8355	0	0	0	0.09	
-8357	H52	SLES	1	22.9161	2.10392	-18.1024	HAL2	8355	0	0	0	0.09	
-8358	C6	SLES	1	22.6419	1.39347	-16.0327	CTL2	8355	8359	8360	8361	-0.18	
-8359	H61	SLES	1	23.2943	1.00367	-15.2194	HAL2	8358	0	0	0	0.09	
-8360	H62	SLES	1	22.3019	2.41437	-15.7401	HAL2	8358	0	0	0	0.09	
-8361	C7	SLES	1	21.3953	0.464015	-16.1752	CTL2	8358	8362	8363	8364	-0.18	
-8362	H71	SLES	1	21.7176	-0.594905	-16.0631	HAL2	8361	0	0	0	0.09	
-8363	H72	SLES	1	20.9649	0.586053	-17.1941	HAL2	8361	0	0	0	0.09	
-8364	C8	SLES	1	20.2993	0.770338	-15.1242	CTL2	8361	8365	8366	8367	-0.18	
-8365	H81	SLES	1	20.7744	0.871867	-14.1215	HAL2	8364	0	0	0	0.09	
-8366	H82	SLES	1	19.8154	1.74153	-15.3756	HAL2	8364	0	0	0	0.09	
-8367	C9	SLES	1	19.2149	-0.334343	-15.0609	CTL2	8364	8368	8369	8370	-0.18	
-8368	H91	SLES	1	19.7032	-1.31029	-14.8387	HAL2	8367	0	0	0	0.09	
-8369	H92	SLES	1	18.7214	-0.415843	-16.0556	HAL2	8367	0	0	0	0.09	
-8370	C10	SLES	1	18.139	-0.0525604	-13.9855	CTL2	8367	8371	8372	8373	-0.18	
-8371	H10	SLES	1	18.6294	0.00582877	-12.9871	HAL2	8370	0	0	0	0.09	
-8372	H10	SLES	1	17.6655	0.933459	-14.1944	HAL2	8370	0	0	0	0.09	
-8373	C11	SLES	1	17.0379	-1.14523	-13.9459	CTL2	8370	8374	8375	8376	-0.18	
-8374	H11	SLES	1	17.5156	-2.12824	-13.7299	HAL2	8373	0	0	0	0.09	
-8375	H11	SLES	1	16.5628	-1.21228	-14.9513	HAL2	8373	0	0	0	0.09	
-8376	C12	SLES	1	15.9346	-0.88269	-12.8883	CTL3	8373	8377	8378	8379	-0.27	
-8377	H12	SLES	1	15.8897	-1.72229	-12.1601	HAL3	8376	0	0	0	0.09	
-8378	H12	SLES	1	14.9419	-0.787318	-13.381	HAL3	8376	0	0	0	0.09	
-8379	H12	SLES	1	16.1464	0.0569904	-12.3331	HAL3	8376	0	0	0	0.09	
-8380	NA	SLES	1	33.709	8.33676	-27.3182	NA	0	0	0	0	1	
-8381	S	SLES	1	32.1601	11.3537	-25.9583	SL	8382	8383	8384	8385	1.33	
-8382	OS1	SLES	1	31.6146	9.7963	-25.668	OSL	8381	8386	0	0	-0.28	
-8383	OS2	SLES	1	33.5354	11.3956	-25.5064	O2L	8381	0	0	0	-0.65	
-8384	OS3	SLES	1	32.1078	11.5378	-27.3936	O2L	8381	0	0	0	-0.65	
-8385	OS4	SLES	1	31.3897	12.395	-25.2976	O2L	8381	0	0	0	-0.65	
-8386	C2	SLES	1	30.5567	9.80712	-24.6187	CC32A	8382	8387	8388	8389	-0.11	
-8387	H2A	SLES	1	30.9317	10.3062	-23.6819	HCA2	8386	0	0	0	0.09	
-8388	H2B	SLES	1	29.6722	10.3828	-25.0091	HCA2	8386	0	0	0	0.09	
-8389	C1	SLES	1	30.1201	8.30124	-24.2908	CC32A	8386	8390	8391	8392	-0.01	
-8390	H1B	SLES	1	31.0117	7.70533	-23.9882	HCA2	8389	0	0	0	0.09	
-8391	H1A	SLES	1	29.6647	7.83283	-25.1944	HCA2	8389	0	0	0	0.09	
-8392	O1	SLES	1	29.1528	8.02818	-23.2102	OC30A	8389	8393	0	0	-0.34	
-8393	C2	SLES	1	28.3464	9.14084	-22.7695	CC32A	8392	8394	8395	8396	-0.01	
-8394	H2A	SLES	1	29.1176	9.8488	-22.4077	HCA2	8393	0	0	0	0.09	
-8395	H2B	SLES	1	27.9262	9.52603	-23.7257	HCA2	8393	0	0	0	0.09	
-8396	C1	SLES	1	27.2089	9.02327	-21.7066	CC32A	8393	8397	8398	8399	-0.01	
-8397	H1B	SLES	1	27.6229	9.21028	-20.6919	HCA2	8396	0	0	0	0.09	
-8398	H1A	SLES	1	26.4305	9.78345	-21.9181	HCA2	8396	0	0	0	0.09	
-8399	O1	SLES	1	26.4704	7.78489	-21.454	OC30A	8396	8400	0	0	-0.34	
-8400	C1	SLES	1	25.0822	7.96992	-20.9928	CTL2	8399	8401	8402	8403	-0.18	
-8401	H11	SLES	1	24.9579	9.04187	-20.7548	HAL2	8400	0	0	0	0.09	
-8402	H12	SLES	1	24.5139	7.74282	-21.9184	HAL2	8400	0	0	0	0.09	
-8403	C2	SLES	1	24.532	7.0944	-19.7983	CTL2	8400	8404	8405	8406	-0.18	
-8404	H21	SLES	1	25.3477	6.43709	-19.4222	HAL2	8403	0	0	0	0.09	
-8405	H22	SLES	1	23.7134	6.44282	-20.1749	HAL2	8403	0	0	0	0.09	
-8406	C3	SLES	1	23.9778	7.98821	-18.5848	CTL2	8403	8407	8408	8409	-0.18	
-8407	H31	SLES	1	24.7235	7.97846	-17.7589	HAL2	8406	0	0	0	0.09	
-8408	H32	SLES	1	23.8658	9.0356	-18.9293	HAL2	8406	0	0	0	0.09	
-8409	C4	SLES	1	22.5848	7.47898	-18.0257	CTL2	8406	8410	8411	8412	-0.18	
-8410	H41	SLES	1	22.7584	6.92143	-17.0817	HAL2	8409	0	0	0	0.09	
-8411	H42	SLES	1	22.1316	6.77773	-18.7591	HAL2	8409	0	0	0	0.09	
-8412	C5	SLES	1	21.5616	8.67085	-17.7478	CTL2	8409	8413	8414	8415	-0.18	
-8413	H51	SLES	1	22.126	9.62762	-17.6888	HAL2	8412	0	0	0	0.09	
-8414	H52	SLES	1	20.8506	8.74511	-18.6022	HAL2	8412	0	0	0	0.09	
-8415	C6	SLES	1	20.7432	8.47902	-16.4156	CTL2	8412	8416	8417	8418	-0.18	
-8416	H61	SLES	1	21.4189	8.64747	-15.5472	HAL2	8415	0	0	0	0.09	
-8417	H62	SLES	1	19.934	9.24516	-16.3743	HAL2	8415	0	0	0	0.09	
-8418	C7	SLES	1	20.105	7.05889	-16.2964	CTL2	8415	8419	8420	8421	-0.18	
-8419	H71	SLES	1	20.8768	6.34342	-15.9357	HAL2	8418	0	0	0	0.09	
-8420	H72	SLES	1	19.7705	6.72446	-17.3037	HAL2	8418	0	0	0	0.09	
-8421	C8	SLES	1	18.8971	7.0269	-15.327	CTL2	8418	8422	8423	8424	-0.18	
-8422	H81	SLES	1	19.1667	7.56845	-14.3913	HAL2	8421	0	0	0	0.09	
-8423	H82	SLES	1	18.0389	7.5587	-15.7973	HAL2	8421	0	0	0	0.09	
-8424	C9	SLES	1	18.4636	5.58317	-14.9692	CTL2	8421	8425	8426	8427	-0.18	
-8425	H91	SLES	1	19.3309	5.04289	-14.5261	HAL2	8424	0	0	0	0.09	
-8426	H92	SLES	1	18.1678	5.05155	-15.9016	HAL2	8424	0	0	0	0.09	
-8427	C10	SLES	1	17.2827	5.54566	-13.9705	CTL2	8424	8428	8429	8430	-0.18	
-8428	H10	SLES	1	17.5864	6.05711	-13.0288	HAL2	8427	0	0	0	0.09	
-8429	H10	SLES	1	16.4224	6.10466	-14.4035	HAL2	8427	0	0	0	0.09	
-8430	C11	SLES	1	16.8312	4.09869	-13.6383	CTL2	8427	8431	8432	8433	-0.18	
-8431	H11	SLES	1	17.693	3.54588	-13.1992	HAL2	8430	0	0	0	0.09	
-8432	H11	SLES	1	16.5456	3.58573	-14.585	HAL2	8430	0	0	0	0.09	
-8433	C12	SLES	1	15.637	4.02763	-12.6516	CTL3	8430	8434	8435	8436	-0.27	
-8434	H12	SLES	1	15.9231	3.45983	-11.7388	HAL3	8433	0	0	0	0.09	
-8435	H12	SLES	1	14.771	3.51826	-13.1289	HAL3	8433	0	0	0	0.09	
-8436	H12	SLES	1	15.3236	5.05049	-12.3488	HAL3	8433	0	0	0	0.09	
-8437	NA	SLES	1	29.9111	18.5822	-26.6854	NA	0	0	0	0	1	
-8438	S	SLES	1	26.9382	20.6444	-26.1754	SL	8439	8440	8441	8442	1.33	
-8439	OS1	SLES	1	27.1406	19.1038	-25.5486	OSL	8438	8443	0	0	-0.28	
-8440	OS2	SLES	1	28.0416	21.4374	-25.6742	O2L	8438	0	0	0	-0.65	
-8441	OS3	SLES	1	27.0414	20.5109	-27.6135	O2L	8438	0	0	0	-0.65	
-8442	OS4	SLES	1	25.6757	21.2759	-25.8265	O2L	8438	0	0	0	-0.65	
-8443	C2	SLES	1	26.0438	18.7881	-24.5905	CC32A	8439	8444	8445	8446	-0.11	
-8444	H2A	SLES	1	25.9851	19.5698	-23.7827	HCA2	8443	0	0	0	0.09	
-8445	H2B	SLES	1	25.0702	18.7732	-25.1546	HCA2	8443	0	0	0	0.09	
-8446	C1	SLES	1	26.3108	17.3517	-23.934	CC32A	8443	8447	8448	8449	-0.01	
-8447	H1B	SLES	1	27.3144	17.3367	-23.4499	HCA2	8446	0	0	0	0.09	
-8448	H1A	SLES	1	26.28	16.5628	-24.7213	HCA2	8446	0	0	0	0.09	
-8449	O1	SLES	1	25.4198	16.8444	-22.8726	OC30A	8446	8450	0	0	-0.34	
-8450	C2	SLES	1	24.1287	17.4784	-22.7559	CC32A	8449	8451	8452	8453	-0.01	
-8451	H2A	SLES	1	24.4114	18.5262	-22.5344	HCA2	8450	0	0	0	0.09	
-8452	H2B	SLES	1	23.74	17.4243	-23.7977	HCA2	8450	0	0	0	0.09	
-8453	C1	SLES	1	23.0202	17.0169	-21.7581	CC32A	8450	8454	8455	8456	-0.01	
-8454	H1B	SLES	1	23.1278	17.5663	-20.7975	HCA2	8453	0	0	0	0.09	
-8455	H1A	SLES	1	22.0239	17.2441	-22.1874	HCA2	8453	0	0	0	0.09	
-8456	O1	SLES	1	22.9124	15.6466	-21.2549	OC30A	8453	8457	0	0	-0.34	
-8457	C1	SLES	1	21.5432	15.209	-20.9263	CTL2	8456	8458	8459	8460	-0.18	
-8458	H11	SLES	1	20.8977	16.1053	-20.96	HAL2	8457	0	0	0	0.09	
-8459	H12	SLES	1	21.3054	14.5663	-21.7991	HAL2	8457	0	0	0	0.09	
-8460	C2	SLES	1	21.2767	14.4138	-19.5873	CTL2	8457	8461	8462	8463	-0.18	
-8461	H21	SLES	1	22.2308	14.3229	-19.0213	HAL2	8460	0	0	0	0.09	
-8462	H22	SLES	1	20.929	13.3881	-19.8392	HAL2	8460	0	0	0	0.09	
-8463	C3	SLES	1	20.1808	15.1276	-18.6557	CTL2	8460	8464	8465	8466	-0.18	
-8464	H31	SLES	1	20.6993	15.637	-17.8132	HAL2	8463	0	0	0	0.09	
-8465	H32	SLES	1	19.6524	15.9015	-19.2474	HAL2	8463	0	0	0	0.09	
-8466	C4	SLES	1	19.1144	14.1142	-18.0656	CTL2	8463	8467	8468	8469	-0.18	
-8467	H41	SLES	1	19.3706	13.8984	-17.0074	HAL2	8466	0	0	0	0.09	
-8468	H42	SLES	1	19.1658	13.1594	-18.6319	HAL2	8466	0	0	0	0.09	
-8469	C5	SLES	1	17.6244	14.6795	-18.1374	CTL2	8466	8470	8471	8472	-0.18	
-8470	H51	SLES	1	17.6608	15.7821	-18.2802	HAL2	8469	0	0	0	0.09	
-8471	H52	SLES	1	17.1107	14.2368	-19.0212	HAL2	8469	0	0	0	0.09	
-8472	C6	SLES	1	16.784	14.3608	-16.8437	CTL2	8469	8473	8474	8475	-0.18	
-8473	H61	SLES	1	17.1518	14.9956	-16.0066	HAL2	8472	0	0	0	0.09	
-8474	H62	SLES	1	15.7169	14.6246	-17.031	HAL2	8472	0	0	0	0.09	
-8475	C7	SLES	1	16.8698	12.8601	-16.4207	CTL2	8472	8476	8477	8478	-0.18	
-8476	H71	SLES	1	17.8153	12.6953	-15.8579	HAL2	8475	0	0	0	0.09	
-8477	H72	SLES	1	16.8987	12.2255	-17.3343	HAL2	8475	0	0	0	0.09	
-8478	C8	SLES	1	15.6755	12.4198	-15.5378	CTL2	8475	8479	8480	8481	-0.18	
-8479	H81	SLES	1	15.5055	13.1858	-14.7468	HAL2	8478	0	0	0	0.09	
-8480	H82	SLES	1	14.7582	12.3656	-16.1672	HAL2	8478	0	0	0	0.09	
-8481	C9	SLES	1	15.9114	11.0433	-14.8669	CTL2	8478	8482	8483	8484	-0.18	
-8482	H91	SLES	1	16.845	11.0897	-14.2614	HAL2	8481	0	0	0	0.09	
-8483	H92	SLES	1	16.0535	10.2735	-15.6585	HAL2	8481	0	0	0	0.09	
-8484	C10	SLES	1	14.7383	10.6169	-13.9529	CTL2	8481	8485	8486	8487	-0.18	
-8485	H10	SLES	1	14.611	11.3752	-13.147	HAL2	8484	0	0	0	0.09	
-8486	H10	SLES	1	13.8005	10.5917	-14.5528	HAL2	8484	0	0	0	0.09	
-8487	C11	SLES	1	14.9642	9.22414	-13.307	CTL2	8484	8488	8489	8490	-0.18	
-8488	H11	SLES	1	15.8996	9.25646	-12.7027	HAL2	8487	0	0	0	0.09	
-8489	H11	SLES	1	15.1089	8.47257	-14.1164	HAL2	8487	0	0	0	0.09	
-8490	C12	SLES	1	13.7973	8.76044	-12.3972	CTL3	8487	8491	8492	8493	-0.27	
-8491	H12	SLES	1	14.1613	8.58523	-11.3608	HAL3	8490	0	0	0	0.09	
-8492	H12	SLES	1	13.3586	7.81404	-12.7836	HAL3	8490	0	0	0	0.09	
-8493	H12	SLES	1	12.9994	9.53415	-12.3665	HAL3	8490	0	0	0	0.09	
-8494	NA	SLES	1	22.8297	27.4098	-26.0689	NA	0	0	0	0	1	
-8495	S	SLES	1	19.2088	27.7836	-26.3838	SL	8496	8497	8498	8499	1.33	
-8496	OS1	SLES	1	19.962	26.6352	-25.424	OSL	8495	8500	0	0	-0.28	
-8497	OS2	SLES	1	19.6859	29.073	-25.9284	O2L	8495	0	0	0	-0.65	
-8498	OS3	SLES	1	19.6645	27.5398	-27.7364	O2L	8495	0	0	0	-0.65	
-8499	OS4	SLES	1	17.7558	27.7486	-26.3375	O2L	8495	0	0	0	-0.65	
-8500	C2	SLES	1	18.9602	25.9425	-24.5656	CC32A	8496	8501	8502	8503	-0.11	
-8501	H2A	SLES	1	18.3769	26.6876	-23.9558	HCA2	8500	0	0	0	0.09	
-8502	H2B	SLES	1	18.2485	25.3792	-25.2307	HCA2	8500	0	0	0	0.09	
-8503	C1	SLES	1	19.7146	24.9193	-23.591	CC32A	8500	8504	8505	8506	-0.01	
-8504	H1B	SLES	1	20.4829	25.4617	-22.9932	HCA2	8503	0	0	0	0.09	
-8505	H1A	SLES	1	20.2197	24.1265	-24.1905	HCA2	8503	0	0	0	0.09	
-8506	O1	SLES	1	18.9566	24.1759	-22.566	OC30A	8503	8507	0	0	-0.34	
-8507	C2	SLES	1	17.5271	24.1	-22.7488	CC32A	8506	8508	8509	8510	-0.01	
-8508	H2A	SLES	1	17.2393	25.1693	-22.7212	HCA2	8507	0	0	0	0.09	
-8509	H2B	SLES	1	17.4386	23.7316	-23.7956	HCA2	8507	0	0	0	0.09	
-8510	C1	SLES	1	16.5742	23.2809	-21.8223	CC32A	8507	8511	8512	8513	-0.01	
-8511	H1B	SLES	1	16.2091	23.927	-20.9945	HCA2	8510	0	0	0	0.09	
-8512	H1A	SLES	1	15.7025	22.9317	-22.4111	HCA2	8510	0	0	0	0.09	
-8513	O1	SLES	1	17.0079	22.1107	-21.0573	OC30A	8510	8514	0	0	-0.34	
-8514	C1	SLES	1	15.9615	21.1001	-20.8171	CTL2	8513	8515	8516	8517	-0.18	
-8515	H11	SLES	1	14.9986	21.5494	-21.1206	HAL2	8514	0	0	0	0.09	
-8516	H12	SLES	1	16.239	20.3204	-21.5563	HAL2	8514	0	0	0	0.09	
-8517	C2	SLES	1	15.8154	20.4514	-19.3839	CTL2	8514	8518	8519	8520	-0.18	
-8518	H21	SLES	1	16.5588	20.9141	-18.6968	HAL2	8517	0	0	0	0.09	
-8519	H22	SLES	1	16.0435	19.3653	-19.4538	HAL2	8517	0	0	0	0.09	
-8520	C3	SLES	1	14.3441	20.6421	-18.7695	CTL2	8517	8521	8522	8523	-0.18	
-8521	H31	SLES	1	14.3764	21.4416	-17.9962	HAL2	8520	0	0	0	0.09	
-8522	H32	SLES	1	13.6571	20.9741	-19.5732	HAL2	8520	0	0	0	0.09	
-8523	C4	SLES	1	13.769	19.3177	-18.1157	CTL2	8520	8524	8525	8526	-0.18	
-8524	H41	SLES	1	13.8648	19.3903	-17.0122	HAL2	8523	0	0	0	0.09	
-8525	H42	SLES	1	14.3748	18.4501	-18.4555	HAL2	8523	0	0	0	0.09	
-8526	C5	SLES	1	12.2401	19.0609	-18.4915	CTL2	8523	8527	8528	8529	-0.18	
-8527	H51	SLES	1	11.7922	20.0104	-18.8593	HAL2	8526	0	0	0	0.09	
-8528	H52	SLES	1	12.19	18.316	-19.3183	HAL2	8526	0	0	0	0.09	
-8529	C6	SLES	1	11.3893	18.5338	-17.275	CTL2	8526	8530	8531	8532	-0.18	
-8530	H61	SLES	1	11.2349	19.3664	-16.5524	HAL2	8529	0	0	0	0.09	
-8531	H62	SLES	1	10.3883	18.2115	-17.6459	HAL2	8529	0	0	0	0.09	
-8532	C7	SLES	1	12.0669	17.3369	-16.5358	CTL2	8529	8533	8534	8535	-0.18	
-8533	H71	SLES	1	12.8377	17.7314	-15.8373	HAL2	8532	0	0	0	0.09	
-8534	H72	SLES	1	12.579	16.6905	-17.283	HAL2	8532	0	0	0	0.09	
-8535	C8	SLES	1	11.0547	16.4794	-15.7359	CTL2	8532	8536	8537	8538	-0.18	
-8536	H81	SLES	1	10.3864	17.154	-15.1531	HAL2	8535	0	0	0	0.09	
-8537	H82	SLES	1	10.4235	15.9018	-16.4491	HAL2	8535	0	0	0	0.09	
-8538	C9	SLES	1	11.7516	15.4943	-14.7641	CTL2	8535	8539	8540	8541	-0.18	
-8539	H91	SLES	1	12.4054	16.0702	-14.0704	HAL2	8538	0	0	0	0.09	
-8540	H92	SLES	1	12.3977	14.8026	-15.3502	HAL2	8538	0	0	0	0.09	
-8541	C10	SLES	1	10.7446	14.6631	-13.9344	CTL2	8538	8542	8543	8544	-0.18	
-8542	H10	SLES	1	10.1135	15.354	-13.3301	HAL2	8541	0	0	0	0.09	
-8543	H10	SLES	1	10.0761	14.1041	-14.6277	HAL2	8541	0	0	0	0.09	
-8544	C11	SLES	1	11.4457	13.656	-12.9845	CTL2	8541	8545	8546	8547	-0.18	
-8545	H11	SLES	1	12.1079	14.2204	-12.2888	HAL2	8544	0	0	0	0.09	
-8546	H11	SLES	1	12.0894	12.979	-13.5914	HAL2	8544	0	0	0	0.09	
-8547	C12	SLES	1	10.4622	12.7952	-12.1502	CTL3	8544	8548	8549	8550	-0.27	
-8548	H12	SLES	1	10.6366	12.9533	-11.0631	HAL3	8547	0	0	0	0.09	
-8549	H12	SLES	1	10.6038	11.7157	-12.3786	HAL3	8547	0	0	0	0.09	
-8550	H12	SLES	1	9.41109	13.0719	-12.3843	HAL3	8547	0	0	0	0.09	
-8551	NA	SLES	1	12.9706	33.6469	-25.529	NA	0	0	0	0	1	
-8552	S	SLES	1	9.78751	32.181	-26.5631	SL	8553	8554	8555	8556	1.33	
-8553	OS1	SLES	1	10.7325	31.6021	-25.3064	OSL	8552	8557	0	0	-0.28	
-8554	OS2	SLES	1	9.48484	33.561	-26.2441	O2L	8552	0	0	0	-0.65	
-8555	OS3	SLES	1	10.6145	32.1202	-27.7501	O2L	8552	0	0	0	-0.65	
-8556	OS4	SLES	1	8.55478	31.4411	-26.7804	O2L	8552	0	0	0	-0.65	
-8557	C2	SLES	1	9.99481	30.5542	-24.5462	CC32A	8553	8558	8559	8560	-0.11	
-8558	H2A	SLES	1	9.00469	30.9491	-24.1844	HCA2	8557	0	0	0	0.09	
-8559	H2B	SLES	1	9.81042	29.6799	-25.2302	HCA2	8557	0	0	0	0.09	
-8560	C1	SLES	1	10.8791	30.0856	-23.2955	CC32A	8557	8561	8562	8563	-0.01	
-8561	H1B	SLES	1	11.1376	30.9658	-22.6629	HCA2	8560	0	0	0	0.09	
-8562	H1A	SLES	1	11.8223	29.6113	-23.654	HCA2	8560	0	0	0	0.09	
-8563	O1	SLES	1	10.3326	29.1219	-22.3205	OC30A	8560	8564	0	0	-0.34	
-8564	C2	SLES	1	9.19396	28.3457	-22.7489	CC32A	8563	8565	8566	8567	-0.01	
-8565	H2A	SLES	1	8.44478	29.1364	-22.9498	HCA2	8564	0	0	0	0.09	
-8566	H2B	SLES	1	9.54158	27.926	-23.7197	HCA2	8564	0	0	0	0.09	
-8567	C1	SLES	1	8.5403	27.2154	-21.8931	CC32A	8564	8568	8569	8570	-0.01	
-8568	H1B	SLES	1	7.72967	27.6427	-21.2636	HCA2	8567	0	0	0	0.09	
-8569	H1A	SLES	1	8.1016	26.453	-22.5675	HCA2	8567	0	0	0	0.09	
-8570	O1	SLES	1	9.27008	26.4505	-20.8806	OC30A	8567	8571	0	0	-0.34	
-8571	C1	SLES	1	8.79086	25.0712	-20.6759	CTL2	8570	8572	8573	8574	-0.18	
-8572	H11	SLES	1	7.83453	24.9741	-21.221	HAL2	8571	0	0	0	0.09	
-8573	H12	SLES	1	9.56766	24.4894	-21.2138	HAL2	8571	0	0	0	0.09	
-8574	C2	SLES	1	8.62344	24.5115	-19.2079	CTL2	8571	8575	8576	8577	-0.18	
-8575	H21	SLES	1	8.87634	25.315	-18.4804	HAL2	8574	0	0	0	0.09	
-8576	H22	SLES	1	9.33974	23.6746	-19.0563	HAL2	8574	0	0	0	0.09	
-8577	C3	SLES	1	7.13355	23.9892	-18.9149	CTL2	8574	8578	8579	8580	-0.18	
-8578	H31	SLES	1	6.60319	24.7419	-18.29	HAL2	8577	0	0	0	0.09	
-8579	H32	SLES	1	6.58711	23.8986	-19.8748	HAL2	8577	0	0	0	0.09	
-8580	C4	SLES	1	7.10236	22.5899	-18.1712	CTL2	8577	8581	8582	8583	-0.18	
-8581	H41	SLES	1	6.8848	22.7589	-17.0959	HAL2	8580	0	0	0	0.09	
-8582	H42	SLES	1	8.10367	22.1138	-18.2471	HAL2	8580	0	0	0	0.09	
-8583	C5	SLES	1	6.00951	21.5972	-18.7754	CTL2	8580	8584	8585	8586	-0.18	
-8584	H51	SLES	1	5.27477	22.1843	-19.3696	HAL2	8583	0	0	0	0.09	
-8585	H52	SLES	1	6.51205	20.8805	-19.4644	HAL2	8583	0	0	0	0.09	
-8586	C6	SLES	1	5.23727	20.7866	-17.6673	CTL2	8583	8587	8588	8589	-0.18	
-8587	H61	SLES	1	4.54481	21.4738	-17.1314	HAL2	8586	0	0	0	0.09	
-8588	H62	SLES	1	4.62353	19.9959	-18.1588	HAL2	8586	0	0	0	0.09	
-8589	C7	SLES	1	6.19351	20.1165	-16.6305	CTL2	8586	8590	8591	8592	-0.18	
-8590	H71	SLES	1	6.49877	20.8747	-15.8758	HAL2	8589	0	0	0	0.09	
-8591	H72	SLES	1	7.1101	19.7653	-17.1548	HAL2	8589	0	0	0	0.09	
-8592	C8	SLES	1	5.53767	18.9171	-15.902	CTL2	8589	8593	8594	8595	-0.18	
-8593	H81	SLES	1	4.51436	19.2076	-15.5706	HAL2	8592	0	0	0	0.09	
-8594	H82	SLES	1	5.44005	18.0673	-16.6154	HAL2	8592	0	0	0	0.09	
-8595	C9	SLES	1	6.35584	18.4533	-14.6709	CTL2	8592	8596	8597	8598	-0.18	
-8596	H91	SLES	1	6.47827	19.3117	-13.9719	HAL2	8595	0	0	0	0.09	
-8597	H92	SLES	1	7.36899	18.1368	-15.0068	HAL2	8595	0	0	0	0.09	
-8598	C10	SLES	1	5.68506	17.2808	-13.9167	CTL2	8595	8599	8600	8601	-0.18	
-8599	H10	SLES	1	4.68072	17.6048	-13.5602	HAL2	8598	0	0	0	0.09	
-8600	H10	SLES	1	5.54215	16.4299	-14.6207	HAL2	8598	0	0	0	0.09	
-8601	C11	SLES	1	6.52236	16.7987	-12.7024	CTL2	8598	8602	8603	8604	-0.18	
-8602	H11	SLES	1	6.65666	17.6513	-11.9981	HAL2	8601	0	0	0	0.09	
-8603	H11	SLES	1	7.53155	16.4928	-13.0614	HAL2	8601	0	0	0	0.09	
-8604	C12	SLES	1	5.88413	15.6122	-11.9347	CTL3	8601	8605	8606	8607	-0.27	
-8605	H12	SLES	1	5.69779	15.8932	-10.8747	HAL3	8604	0	0	0	0.09	
-8606	H12	SLES	1	6.56177	14.7302	-11.9538	HAL3	8604	0	0	0	0.09	
-8607	H12	SLES	1	4.91624	15.3254	-12.4007	HAL3	8604	0	0	0	0.09	
-8608	NA	SLES	1	1.32835	36.3232	-25.1185	NA	0	0	0	0	1	
-8609	S	SLES	1	-0.419184	33.5288	-26.6957	SL	8610	8611	8612	8613	1.33	
-8610	OS1	SLES	1	0.346336	33.4479	-25.2074	OSL	8609	8614	0	0	-0.28	
-8611	OS2	SLES	1	-1.40597	34.5836	-26.5905	O2L	8609	0	0	0	-0.65	
-8612	OS3	SLES	1	0.600528	33.9024	-27.6534	O2L	8609	0	0	0	-0.65	
-8613	OS4	SLES	1	-1.05939	32.2914	-27.1121	O2L	8609	0	0	0	-0.65	
-8614	C2	SLES	1	0.0309875	32.1565	-24.5343	CC32A	8610	8615	8616	8617	-0.11	
-8615	H2A	SLES	1	-1.08243	32.0162	-24.4461	HCA2	8614	0	0	0	0.09	
-8616	H2B	SLES	1	0.455982	31.3181	-25.1529	HCA2	8614	0	0	0	0.09	
-8617	C1	SLES	1	0.694373	32.143	-23.0763	CC32A	8614	8618	8619	8620	-0.01	
-8618	H1B	SLES	1	0.341925	33.0236	-22.4913	HCA2	8617	0	0	0	0.09	
-8619	H1A	SLES	1	1.80483	32.1912	-23.1641	HCA2	8617	0	0	0	0.09	
-8620	O1	SLES	1	0.448382	31.0126	-22.1601	OC30A	8617	8621	0	0	-0.34	
-8621	C2	SLES	1	-0.0432398	29.7938	-22.7563	CC32A	8620	8622	8623	8624	-0.01	
-8622	H2A	SLES	1	-1.00194	30.1296	-23.1979	HCA2	8621	0	0	0	0.09	
-8623	H2B	SLES	1	0.687401	29.6169	-23.5774	HCA2	8621	0	0	0	0.09	
-8624	C1	SLES	1	-0.271905	28.4685	-21.9634	CC32A	8621	8625	8626	8627	-0.01	
-8625	H1B	SLES	1	-1.31438	28.4369	-21.5783	HCA2	8624	0	0	0	0.09	
-8626	H1A	SLES	1	-0.117396	27.6052	-22.6413	HCA2	8624	0	0	0	0.09	
-8627	O1	SLES	1	0.459182	28.1268	-20.7421	OC30A	8624	8628	0	0	-0.34	
-8628	C1	SLES	1	0.655529	26.683	-20.5164	CTL2	8627	8629	8630	8631	-0.18	
-8629	H11	SLES	1	0.0256561	26.1496	-21.2512	HAL2	8628	0	0	0	0.09	
-8630	H12	SLES	1	1.71994	26.5609	-20.8052	HAL2	8628	0	0	0	0.09	
-8631	C2	SLES	1	0.418546	26.0775	-19.0765	CTL2	8628	8632	8633	8634	-0.18	
-8632	H21	SLES	1	0.0743478	26.8858	-18.3932	HAL2	8631	0	0	0	0.09	
-8633	H22	SLES	1	1.38337	25.6864	-18.6856	HAL2	8631	0	0	0	0.09	
-8634	C3	SLES	1	-0.667353	24.8945	-19.0777	CTL2	8631	8635	8636	8637	-0.18	
-8635	H31	SLES	1	-1.6253	25.2831	-18.6658	HAL2	8634	0	0	0	0.09	
-8636	H32	SLES	1	-0.851682	24.5743	-20.1226	HAL2	8634	0	0	0	0.09	
-8637	C4	SLES	1	-0.214457	23.6365	-18.2265	CTL2	8634	8638	8639	8640	-0.18	
-8638	H41	SLES	1	-0.7421	23.6542	-17.2501	HAL2	8637	0	0	0	0.09	
-8639	H42	SLES	1	0.876737	23.7044	-18.0272	HAL2	8637	0	0	0	0.09	
-8640	C5	SLES	1	-0.521962	22.2545	-18.9615	CTL2	8637	8641	8642	8643	-0.18	
-8641	H51	SLES	1	-1.27573	22.4282	-19.7609	HAL2	8640	0	0	0	0.09	
-8642	H52	SLES	1	0.411157	21.8856	-19.4453	HAL2	8640	0	0	0	0.09	
-8643	C6	SLES	1	-1.06393	21.1459	-17.9823	CTL2	8640	8644	8645	8646	-0.18	
-8644	H61	SLES	1	-2.10634	21.4011	-17.6867	HAL2	8643	0	0	0	0.09	
-8645	H62	SLES	1	-1.08904	20.1691	-18.5196	HAL2	8643	0	0	0	0.09	
-8646	C7	SLES	1	-0.191986	20.9959	-16.6956	CTL2	8643	8647	8648	8649	-0.18	
-8647	H71	SLES	1	-0.477143	21.7893	-15.9696	HAL2	8646	0	0	0	0.09	
-8648	H72	SLES	1	0.878391	21.1428	-16.9622	HAL2	8646	0	0	0	0.09	
-8649	C8	SLES	1	-0.35857	19.612	-16.0198	CTL2	8646	8650	8651	8652	-0.18	
-8650	H81	SLES	1	-1.44328	19.365	-15.9583	HAL2	8649	0	0	0	0.09	
-8651	H82	SLES	1	0.135495	18.8377	-16.6498	HAL2	8649	0	0	0	0.09	
-8652	C9	SLES	1	0.251377	19.5714	-14.5962	CTL2	8649	8653	8654	8655	-0.18	
-8653	H91	SLES	1	-0.222203	20.3656	-13.9755	HAL2	8652	0	0	0	0.09	
-8654	H92	SLES	1	1.34089	19.7909	-14.6619	HAL2	8652	0	0	0	0.09	
-8655	C10	SLES	1	0.0531101	18.2033	-13.9017	CTL2	8652	8656	8657	8658	-0.18	
-8656	H10	SLES	1	-1.03754	17.9943	-13.8148	HAL2	8655	0	0	0	0.09	
-8657	H10	SLES	1	0.507048	17.406	-14.5327	HAL2	8655	0	0	0	0.09	
-8658	C11	SLES	1	0.692018	18.1563	-12.4883	CTL2	8655	8659	8660	8661	-0.18	
-8659	H11	SLES	1	0.229882	18.9511	-11.8591	HAL2	8658	0	0	0	0.09	
-8660	H11	SLES	1	1.77883	18.3837	-12.5782	HAL2	8658	0	0	0	0.09	
-8661	C12	SLES	1	0.524628	16.7913	-11.7718	CTL3	8658	8662	8663	8664	-0.27	
-8662	H12	SLES	1	-0.0258133	16.9225	-10.8142	HAL3	8661	0	0	0	0.09	
-8663	H12	SLES	1	1.51981	16.3464	-11.5506	HAL3	8661	0	0	0	0.09	
-8664	H12	SLES	1	-0.0447754	16.0844	-12.4138	HAL3	8661	0	0	0	0.09	
-8665	NA	SLES	1	-10.7221	34.903	-24.8777	NA	0	0	0	0	1	
-8666	S	SLES	1	-10.4971	31.7847	-26.7686	SL	8667	8668	8669	8670	1.33	
-8667	OS1	SLES	1	-10.1463	31.9296	-25.1366	OSL	8666	8671	0	0	-0.28	
-8668	OS2	SLES	1	-11.8648	32.2315	-26.9335	O2L	8666	0	0	0	-0.65	
-8669	OS3	SLES	1	-9.59791	32.688	-27.4556	O2L	8666	0	0	0	-0.65	
-8670	OS4	SLES	1	-10.3481	30.4393	-27.2999	O2L	8666	0	0	0	-0.65	
-8671	C2	SLES	1	-9.94236	30.5835	-24.531	CC32A	8667	8672	8673	8674	-0.11	
-8672	H2A	SLES	1	-10.837	29.9255	-24.7151	HCA2	8671	0	0	0	0.09	
-8673	H2B	SLES	1	-9.03855	30.1111	-25.0066	HCA2	8671	0	0	0	0.09	
-8674	C1	SLES	1	-9.70368	30.7422	-22.955	CC32A	8671	8675	8676	8677	-0.01	
-8675	H1B	SLES	1	-10.5588	31.2891	-22.4953	HCA2	8674	0	0	0	0.09	
-8676	H1A	SLES	1	-8.7672	31.318	-22.769	HCA2	8674	0	0	0	0.09	
-8677	O1	SLES	1	-9.57356	29.5459	-22.1006	OC30A	8674	8678	0	0	-0.34	
-8678	C2	SLES	1	-9.26715	28.3048	-22.7701	CC32A	8677	8679	8680	8681	-0.01	
-8679	H2A	SLES	1	-10.1408	28.1889	-23.4411	HCA2	8678	0	0	0	0.09	
-8680	H2B	SLES	1	-8.37798	28.576	-23.3827	HCA2	8678	0	0	0	0.09	
-8681	C1	SLES	1	-9.00056	26.9583	-22.0264	CC32A	8678	8682	8683	8684	-0.01	
-8682	H1B	SLES	1	-9.9546	26.3998	-21.908	HCA2	8681	0	0	0	0.09	
-8683	H1A	SLES	1	-8.30032	26.342	-22.6251	HCA2	8681	0	0	0	0.09	
-8684	O1	SLES	1	-8.49279	26.8847	-20.6554	OC30A	8681	8685	0	0	-0.34	
-8685	C1	SLES	1	-7.68121	25.6911	-20.3544	CTL2	8684	8686	8687	8688	-0.18	
-8686	H11	SLES	1	-7.7911	24.9984	-21.2084	HAL2	8685	0	0	0	0.09	
-8687	H12	SLES	1	-6.65622	26.1158	-20.3705	HAL2	8685	0	0	0	0.09	
-8688	C2	SLES	1	-7.91495	24.9073	-19.0027	CTL2	8685	8689	8690	8691	-0.18	
-8689	H21	SLES	1	-8.75049	25.3853	-18.4439	HAL2	8688	0	0	0	0.09	
-8690	H22	SLES	1	-6.99804	24.9827	-18.378	HAL2	8688	0	0	0	0.09	
-8691	C3	SLES	1	-8.26321	23.3582	-19.2421	CTL2	8688	8692	8693	8694	-0.18	
-8692	H31	SLES	1	-9.35443	23.205	-19.0869	HAL2	8691	0	0	0	0.09	
-8693	H32	SLES	1	-8.0288	23.0933	-20.2924	HAL2	8691	0	0	0	0.09	
-8694	C4	SLES	1	-7.46538	22.3871	-18.2763	CTL2	8691	8695	8696	8697	-0.18	
-8695	H41	SLES	1	-8.14099	22.0571	-17.4597	HAL2	8694	0	0	0	0.09	
-8696	H42	SLES	1	-6.61957	22.9429	-17.8173	HAL2	8694	0	0	0	0.09	
-8697	C5	SLES	1	-6.89306	21.1037	-19.0314	CTL2	8694	8698	8699	8700	-0.18	
-8698	H51	SLES	1	-7.43426	20.978	-19.9951	HAL2	8697	0	0	0	0.09	
-8699	H52	SLES	1	-5.81606	21.2693	-19.2628	HAL2	8697	0	0	0	0.09	
-8700	C6	SLES	1	-7.03824	19.7805	-18.189	CTL2	8697	8701	8702	8703	-0.18	
-8701	H61	SLES	1	-8.11032	19.482	-18.1641	HAL2	8700	0	0	0	0.09	
-8702	H62	SLES	1	-6.46701	18.9661	-18.6928	HAL2	8700	0	0	0	0.09	
-8703	C7	SLES	1	-6.51849	19.935	-16.7247	CTL2	8700	8704	8705	8706	-0.18	
-8704	H71	SLES	1	-7.30646	20.4236	-16.1097	HAL2	8703	0	0	0	0.09	
-8705	H72	SLES	1	-5.6232	20.5959	-16.7241	HAL2	8703	0	0	0	0.09	
-8706	C8	SLES	1	-6.14464	18.578	-16.0778	CTL2	8703	8707	8708	8709	-0.18	
-8707	H81	SLES	1	-6.95747	17.8428	-16.2783	HAL2	8706	0	0	0	0.09	
-8708	H82	SLES	1	-5.21069	18.1954	-16.549	HAL2	8706	0	0	0	0.09	
-8709	C9	SLES	1	-5.93032	18.691	-14.5476	CTL2	8706	8710	8711	8712	-0.18	
-8710	H91	SLES	1	-6.85441	19.1015	-14.0809	HAL2	8709	0	0	0	0.09	
-8711	H92	SLES	1	-5.09921	19.4047	-14.3493	HAL2	8709	0	0	0	0.09	
-8712	C10	SLES	1	-5.59515	17.331	-13.8907	CTL2	8709	8713	8714	8715	-0.18	
-8713	H10	SLES	1	-6.43702	16.6237	-14.069	HAL2	8712	0	0	0	0.09	
-8714	H10	SLES	1	-4.68384	16.9094	-14.3721	HAL2	8712	0	0	0	0.09	
-8715	C11	SLES	1	-5.35094	17.4531	-12.3631	CTL2	8712	8716	8717	8718	-0.18	
-8716	H11	SLES	1	-6.26752	17.8687	-11.8854	HAL2	8715	0	0	0	0.09	
-8717	H11	SLES	1	-4.52042	18.1748	-12.1892	HAL2	8715	0	0	0	0.09	
-8718	C12	SLES	1	-4.99607	16.1083	-11.6775	CTL3	8715	8719	8720	8721	-0.27	
-8719	H12	SLES	1	-5.74149	15.8687	-10.8874	HAL3	8718	0	0	0	0.09	
-8720	H12	SLES	1	-3.98911	16.1674	-11.2086	HAL3	8718	0	0	0	0.09	
-8721	H12	SLES	1	-4.99203	15.2831	-12.4226	HAL3	8718	0	0	0	0.09	
-8722	NA	SLES	1	-21.6497	29.4422	-24.83	NA	0	0	0	0	1	
-8723	S	SLES	1	-19.5812	27.1423	-26.7748	SL	8724	8725	8726	8727	1.33	
-8724	OS1	SLES	1	-19.6543	27.1651	-25.101	OSL	8723	8728	0	0	-0.28	
-8725	OS2	SLES	1	-20.9349	26.9218	-27.2397	O2L	8723	0	0	0	-0.65	
-8726	OS3	SLES	1	-19.131	28.4586	-27.1763	O2L	8723	0	0	0	-0.65	
-8727	OS4	SLES	1	-18.697	26.1277	-27.3255	O2L	8723	0	0	0	-0.65	
-8728	C2	SLES	1	-18.9327	25.9899	-24.5367	CC32A	8724	8729	8730	8731	-0.11	
-8729	H2A	SLES	1	-19.3385	25.0314	-24.9653	HCA2	8728	0	0	0	0.09	
-8730	H2B	SLES	1	-17.8434	26.0769	-24.8055	HCA2	8728	0	0	0	0.09	
-8731	C1	SLES	1	-19.0977	25.9817	-22.9434	CC32A	8728	8732	8733	8734	-0.01	
-8732	H1B	SLES	1	-20.1791	25.9849	-22.6743	HCA2	8731	0	0	0	0.09	
-8733	H1A	SLES	1	-18.6164	26.8879	-22.5073	HCA2	8731	0	0	0	0.09	
-8734	O1	SLES	1	-18.5583	24.862	-22.1478	OC30A	8731	8735	0	0	-0.34	
-8735	C2	SLES	1	-17.5655	24.0339	-22.7891	CC32A	8734	8736	8737	8738	-0.01	
-8736	H2A	SLES	1	-18.1294	23.6363	-23.6556	HCA2	8735	0	0	0	0.09	
-8737	H2B	SLES	1	-16.8279	24.7834	-23.1545	HCA2	8735	0	0	0	0.09	
-8738	C1	SLES	1	-16.8158	22.8649	-22.0759	CC32A	8735	8739	8740	8741	-0.01	
-8739	H1B	SLES	1	-17.3768	21.916	-22.2204	HCA2	8738	0	0	0	0.09	
-8740	H1A	SLES	1	-15.8068	22.7521	-22.5206	HCA2	8738	0	0	0	0.09	
-8741	O1	SLES	1	-16.6	22.8133	-20.629	OC30A	8738	8742	0	0	-0.34	
-8742	C1	SLES	1	-15.3792	22.1031	-20.2057	CTL2	8741	8743	8744	8745	-0.18	
-8743	H11	SLES	1	-14.9758	21.5887	-21.0967	HAL2	8742	0	0	0	0.09	
-8744	H12	SLES	1	-14.7111	22.952	-19.9522	HAL2	8742	0	0	0	0.09	
-8745	C2	SLES	1	-15.4436	21.0918	-18.9935	CTL2	8742	8746	8747	8748	-0.18	
-8746	H21	SLES	1	-16.4927	21.0279	-18.6275	HAL2	8745	0	0	0	0.09	
-8747	H22	SLES	1	-14.8145	21.4819	-18.1636	HAL2	8745	0	0	0	0.09	
-8748	C3	SLES	1	-14.937	19.621	-19.3919	CTL2	8745	8749	8750	8751	-0.18	
-8749	H31	SLES	1	-15.8203	18.9549	-19.512	HAL2	8748	0	0	0	0.09	
-8750	H32	SLES	1	-14.4138	19.671	-20.3675	HAL2	8748	0	0	0	0.09	
-8751	C4	SLES	1	-13.9595	18.9895	-18.3157	CTL2	8748	8752	8753	8754	-0.18	
-8752	H41	SLES	1	-14.5241	18.2549	-17.7044	HAL2	8751	0	0	0	0.09	
-8753	H42	SLES	1	-13.596	19.7916	-17.6378	HAL2	8751	0	0	0	0.09	
-8754	C5	SLES	1	-12.7038	18.2623	-18.9783	CTL2	8751	8755	8756	8757	-0.18	
-8755	H51	SLES	1	-12.9255	18.0585	-20.0491	HAL2	8754	0	0	0	0.09	
-8756	H52	SLES	1	-11.8247	18.9451	-18.9348	HAL2	8754	0	0	0	0.09	
-8757	C6	SLES	1	-12.3344	16.906	-18.2673	CTL2	8754	8758	8759	8760	-0.18	
-8758	H61	SLES	1	-13.1062	16.1436	-18.5169	HAL2	8757	0	0	0	0.09	
-8759	H62	SLES	1	-11.3558	16.5453	-18.6616	HAL2	8757	0	0	0	0.09	
-8760	C7	SLES	1	-12.2374	17.0432	-16.7148	CTL2	8757	8761	8762	8763	-0.18	
-8761	H71	SLES	1	-13.2616	17.0014	-16.2823	HAL2	8760	0	0	0	0.09	
-8762	H72	SLES	1	-11.7986	18.0345	-16.4638	HAL2	8760	0	0	0	0.09	
-8763	C8	SLES	1	-11.3733	15.9308	-16.0703	CTL2	8760	8764	8765	8766	-0.18	
-8764	H81	SLES	1	-11.6685	14.9457	-16.4992	HAL2	8763	0	0	0	0.09	
-8765	H82	SLES	1	-10.3032	16.1091	-16.3227	HAL2	8763	0	0	0	0.09	
-8766	C9	SLES	1	-11.5283	15.879	-14.5297	CTL2	8763	8767	8768	8769	-0.18	
-8767	H91	SLES	1	-12.6028	15.7302	-14.2777	HAL2	8766	0	0	0	0.09	
-8768	H92	SLES	1	-11.2065	16.8542	-14.0996	HAL2	8766	0	0	0	0.09	
-8769	C10	SLES	1	-10.6975	14.7443	-13.8849	CTL2	8766	8770	8771	8772	-0.18	
-8770	H10	SLES	1	-11.0352	13.7665	-14.2978	HAL2	8769	0	0	0	0.09	
-8771	H10	SLES	1	-9.62565	14.8799	-14.1548	HAL2	8769	0	0	0	0.09	
-8772	C11	SLES	1	-10.831	14.7148	-12.3391	CTL2	8769	8773	8774	8775	-0.18	
-8773	H11	SLES	1	-11.9037	14.5722	-12.0744	HAL2	8772	0	0	0	0.09	
-8774	H11	SLES	1	-10.5091	15.7007	-11.9324	HAL2	8772	0	0	0	0.09	
-8775	C12	SLES	1	-9.9961	13.5978	-11.6609	CTL3	8772	8776	8777	8778	-0.27	
-8776	H12	SLES	1	-10.6595	12.9138	-11.0872	HAL3	8775	0	0	0	0.09	
-8777	H12	SLES	1	-9.25366	14.0411	-10.9612	HAL3	8775	0	0	0	0.09	
-8778	H12	SLES	1	-9.45087	13.0034	-12.4261	HAL3	8775	0	0	0	0.09	
-8779	NA	SLES	1	-30.0517	20.6146	-24.9803	NA	0	0	0	0	1	
-8780	S	SLES	1	-26.8938	20.003	-26.7135	SL	8781	8782	8783	8784	1.33	
-8781	OS1	SLES	1	-27.1773	19.6337	-25.104	OSL	8780	8785	0	0	-0.28	
-8782	OS2	SLES	1	-27.8927	19.2862	-27.479	O2L	8780	0	0	0	-0.65	
-8783	OS3	SLES	1	-27.105	21.4297	-26.8426	O2L	8780	0	0	0	-0.65	
-8784	OS4	SLES	1	-25.5635	19.655	-27.1865	O2L	8780	0	0	0	-0.65	
-8785	C2	SLES	1	-26.0471	18.8356	-24.5508	CC32A	8781	8786	8787	8788	-0.11	
-8786	H2A	SLES	1	-25.8704	17.9137	-25.1721	HCA2	8785	0	0	0	0.09	
-8787	H2B	SLES	1	-25.1185	19.4709	-24.5692	HCA2	8785	0	0	0	0.09	
-8788	C1	SLES	1	-26.3843	18.4141	-23.0426	CC32A	8785	8789	8790	8791	-0.01	
-8789	H1B	SLES	1	-27.3506	17.8599	-23.0109	HCA2	8788	0	0	0	0.09	
-8790	H1A	SLES	1	-26.4711	19.3243	-22.4045	HCA2	8788	0	0	0	0.09	
-8791	O1	SLES	1	-25.4673	17.5304	-22.297	OC30A	8788	8792	0	0	-0.34	
-8792	C2	SLES	1	-24.1241	17.4123	-22.8114	CC32A	8791	8793	8794	8795	-0.01	
-8793	H2A	SLES	1	-24.3053	16.9933	-23.8206	HCA2	8792	0	0	0	0.09	
-8794	H2B	SLES	1	-23.8128	18.4761	-22.9153	HCA2	8792	0	0	0	0.09	
-8795	C1	SLES	1	-22.9914	16.6009	-22.1071	CC32A	8792	8796	8797	8798	-0.01	
-8796	H1B	SLES	1	-22.9886	15.5552	-22.4848	HCA2	8795	0	0	0	0.09	
-8797	H1A	SLES	1	-22.0114	17.0645	-22.3381	HCA2	8795	0	0	0	0.09	
-8798	O1	SLES	1	-22.961	16.3491	-20.6654	OC30A	8795	8799	0	0	-0.34	
-8799	C1	SLES	1	-21.6126	16.212	-20.0848	CTL2	8798	8800	8801	8802	-0.18	
-8800	H11	SLES	1	-20.9004	16.1446	-20.9271	HAL2	8799	0	0	0	0.09	
-8801	H12	SLES	1	-21.4876	17.1979	-19.5912	HAL2	8799	0	0	0	0.09	
-8802	C2	SLES	1	-21.3211	15.0542	-19.05	CTL2	8799	8803	8804	8805	-0.18	
-8803	H21	SLES	1	-22.2387	14.4366	-18.9259	HAL2	8802	0	0	0	0.09	
-8804	H22	SLES	1	-21.0755	15.5047	-18.0635	HAL2	8802	0	0	0	0.09	
-8805	C3	SLES	1	-20.1101	14.1065	-19.5124	CTL2	8802	8806	8807	8808	-0.18	
-8806	H31	SLES	1	-20.5272	13.1502	-19.8996	HAL2	8805	0	0	0	0.09	
-8807	H32	SLES	1	-19.5622	14.5984	-20.3407	HAL2	8805	0	0	0	0.09	
-8808	C4	SLES	1	-19.0916	13.7861	-18.3409	CTL2	8805	8809	8810	8811	-0.18	
-8809	H41	SLES	1	-19.292	12.7629	-17.96	HAL2	8808	0	0	0	0.09	
-8810	H42	SLES	1	-19.2587	14.5009	-17.5065	HAL2	8808	0	0	0	0.09	
-8811	C5	SLES	1	-17.5691	13.8809	-18.8074	CTL2	8808	8812	8813	8814	-0.18	
-8812	H51	SLES	1	-17.5257	13.8302	-19.9178	HAL2	8811	0	0	0	0.09	
-8813	H52	SLES	1	-17.1542	14.8659	-18.4934	HAL2	8811	0	0	0	0.09	
-8814	C6	SLES	1	-16.6714	12.7329	-18.2094	CTL2	8811	8815	8816	8817	-0.18	
-8815	H61	SLES	1	-16.9288	11.7728	-18.7104	HAL2	8814	0	0	0	0.09	
-8816	H62	SLES	1	-15.6016	12.9583	-18.429	HAL2	8814	0	0	0	0.09	
-8817	C7	SLES	1	-16.8494	12.5664	-16.6671	CTL2	8814	8818	8819	8820	-0.18	
-8818	H71	SLES	1	-17.7647	11.9653	-16.4704	HAL2	8817	0	0	0	0.09	
-8819	H72	SLES	1	-16.9917	13.5694	-16.2067	HAL2	8817	0	0	0	0.09	
-8820	C8	SLES	1	-15.6376	11.8712	-15.9981	CTL2	8817	8821	8822	8823	-0.18	
-8821	H81	SLES	1	-15.3526	10.9776	-16.5995	HAL2	8820	0	0	0	0.09	
-8822	H82	SLES	1	-14.7726	12.5729	-15.9933	HAL2	8820	0	0	0	0.09	
-8823	C9	SLES	1	-15.938	11.428	-14.5442	CTL2	8820	8824	8825	8826	-0.18	
-8824	H91	SLES	1	-16.8214	10.7498	-14.5466	HAL2	8823	0	0	0	0.09	
-8825	H92	SLES	1	-16.1955	12.3251	-13.9373	HAL2	8823	0	0	0	0.09	
-8826	C10	SLES	1	-14.7439	10.6981	-13.8848	CTL2	8823	8827	8828	8829	-0.18	
-8827	H10	SLES	1	-14.5011	9.7877	-14.4789	HAL2	8826	0	0	0	0.09	
-8828	H10	SLES	1	-13.8542	11.3675	-13.902	HAL2	8826	0	0	0	0.09	
-8829	C11	SLES	1	-15.0375	10.2829	-12.4187	CTL2	8826	8830	8831	8832	-0.18	
-8830	H11	SLES	1	-15.9239	9.60818	-12.4076	HAL2	8829	0	0	0	0.09	
-8831	H11	SLES	1	-15.2972	11.1942	-11.833	HAL2	8829	0	0	0	0.09	
-8832	C12	SLES	1	-13.8528	9.56313	-11.7238	CTL3	8829	8833	8834	8835	-0.27	
-8833	H12	SLES	1	-14.1585	8.54573	-11.394	HAL3	8832	0	0	0	0.09	
-8834	H12	SLES	1	-13.5195	10.1394	-10.8326	HAL3	8832	0	0	0	0.09	
-8835	H12	SLES	1	-12.9947	9.46564	-12.4239	HAL3	8832	0	0	0	0.09	
-8836	NA	SLES	1	-34.9181	9.59286	-25.3137	NA	0	0	0	0	1	
-8837	S	SLES	1	-31.7785	10.9573	-26.5909	SL	8838	8839	8840	8841	1.33	
-8838	OS1	SLES	1	-31.9299	10.1238	-25.1453	OSL	8837	8842	0	0	-0.28	
-8839	OS2	SLES	1	-32.2556	10.0661	-27.628	O2L	8837	0	0	0	-0.65	
-8840	OS3	SLES	1	-32.6544	12.1056	-26.4874	O2L	8837	0	0	0	-0.65	
-8841	OS4	SLES	1	-30.4253	11.3933	-26.8963	O2L	8837	0	0	0	-0.65	
-8842	C2	SLES	1	-30.5849	9.83642	-24.5719	CC32A	8838	8843	8844	8845	-0.11	
-8843	H2A	SLES	1	-29.9464	9.28261	-25.3153	HCA2	8842	0	0	0	0.09	
-8844	H2B	SLES	1	-30.0873	10.814	-24.321	HCA2	8842	0	0	0	0.09	
-8845	C1	SLES	1	-30.7521	8.95784	-23.243	CC32A	8842	8846	8847	8848	-0.01	
-8846	H1B	SLES	1	-31.323	8.02866	-23.4722	HCA2	8845	0	0	0	0.09	
-8847	H1A	SLES	1	-31.3076	9.53949	-22.4708	HCA2	8845	0	0	0	0.09	
-8848	O1	SLES	1	-29.5609	8.45217	-22.5336	OC30A	8845	8849	0	0	-0.34	
-8849	C2	SLES	1	-28.307	9.09995	-22.8347	CC32A	8848	8850	8851	8852	-0.01	
-8850	H2A	SLES	1	-28.2055	8.90136	-23.9197	HCA2	8849	0	0	0	0.09	
-8851	H2B	SLES	1	-28.5519	10.176	-22.6884	HCA2	8849	0	0	0	0.09	
-8852	C1	SLES	1	-26.9614	8.76616	-22.1169	CC32A	8849	8853	8854	8855	-0.01	
-8853	H1B	SLES	1	-26.4264	7.96739	-22.6753	HCA2	8852	0	0	0	0.09	
-8854	H1A	SLES	1	-26.3236	9.67244	-22.0953	HCA2	8852	0	0	0	0.09	
-8855	O1	SLES	1	-26.8884	8.2191	-20.7611	OC30A	8852	8856	0	0	-0.34	
-8856	C1	SLES	1	-25.6789	8.58979	-20.0036	CTL2	8855	8857	8858	8859	-0.18	
-8857	H11	SLES	1	-24.9813	9.06613	-20.7161	HAL2	8856	0	0	0	0.09	
-8858	H12	SLES	1	-26.0795	9.36921	-19.3229	HAL2	8856	0	0	0	0.09	
-8859	C2	SLES	1	-24.913	7.49018	-19.1667	CTL2	8856	8860	8861	8862	-0.18	
-8860	H21	SLES	1	-25.4154	6.50739	-19.31	HAL2	8859	0	0	0	0.09	
-8861	H22	SLES	1	-24.9726	7.75094	-18.0873	HAL2	8859	0	0	0	0.09	
-8862	C3	SLES	1	-23.3703	7.35716	-19.5919	CTL2	8859	8863	8864	8865	-0.18	
-8863	H31	SLES	1	-23.244	6.44156	-20.2116	HAL2	8862	0	0	0	0.09	
-8864	H32	SLES	1	-23.0906	8.23024	-20.2146	HAL2	8862	0	0	0	0.09	
-8865	C4	SLES	1	-22.3896	7.27619	-18.3494	CTL2	8862	8866	8867	8868	-0.18	
-8866	H41	SLES	1	-22.0828	6.21969	-18.2016	HAL2	8865	0	0	0	0.09	
-8867	H42	SLES	1	-22.9296	7.60678	-17.4361	HAL2	8865	0	0	0	0.09	
-8868	C5	SLES	1	-21.0865	8.17728	-18.5355	CTL2	8865	8869	8870	8871	-0.18	
-8869	H51	SLES	1	-20.9647	8.42129	-19.614	HAL2	8868	0	0	0	0.09	
-8870	H52	SLES	1	-21.2249	9.13391	-17.9817	HAL2	8868	0	0	0	0.09	
-8871	C6	SLES	1	-19.7747	7.47297	-18.0212	CTL2	8868	8872	8873	8874	-0.18	
-8872	H61	SLES	1	-19.5015	6.6557	-18.7258	HAL2	8871	0	0	0	0.09	
-8873	H62	SLES	1	-18.9426	8.21536	-18.0177	HAL2	8871	0	0	0	0.09	
-8874	C7	SLES	1	-19.9302	6.87735	-16.5861	CTL2	8871	8875	8876	8877	-0.18	
-8875	H71	SLES	1	-20.4425	5.89223	-16.6558	HAL2	8874	0	0	0	0.09	
-8876	H72	SLES	1	-20.57	7.55507	-15.9781	HAL2	8874	0	0	0	0.09	
-8877	C8	SLES	1	-18.5708	6.68783	-15.8681	CTL2	8874	8878	8879	8880	-0.18	
-8878	H81	SLES	1	-17.8529	6.20368	-16.5693	HAL2	8877	0	0	0	0.09	
-8879	H82	SLES	1	-18.1622	7.68682	-15.5929	HAL2	8877	0	0	0	0.09	
-8880	C9	SLES	1	-18.6924	5.82088	-14.5899	CTL2	8877	8881	8882	8883	-0.18	
-8881	H91	SLES	1	-19.1286	4.83278	-14.8615	HAL2	8880	0	0	0	0.09	
-8882	H92	SLES	1	-19.3884	6.3195	-13.8781	HAL2	8880	0	0	0	0.09	
-8883	C10	SLES	1	-17.331	5.59588	-13.8904	CTL2	8880	8884	8885	8886	-0.18	
-8884	H10	SLES	1	-16.6419	5.07601	-14.5945	HAL2	8883	0	0	0	0.09	
-8885	H10	SLES	1	-16.8839	6.58413	-13.6384	HAL2	8883	0	0	0	0.09	
-8886	C11	SLES	1	-17.4611	4.75307	-12.594	CTL2	8883	8887	8888	8889	-0.18	
-8887	H11	SLES	1	-17.9023	3.76325	-12.8523	HAL2	8886	0	0	0	0.09	
-8888	H11	SLES	1	-18.1648	5.26781	-11.9006	HAL2	8886	0	0	0	0.09	
-8889	C12	SLES	1	-16.1146	4.52372	-11.8599	CTL3	8886	8890	8891	8892	-0.27	
-8890	H12	SLES	1	-15.8996	3.43542	-11.7778	HAL3	8889	0	0	0	0.09	
-8891	H12	SLES	1	-16.1544	4.9554	-10.8355	HAL3	8889	0	0	0	0.09	
-8892	H12	SLES	1	-15.2829	5.00815	-12.4164	HAL3	8889	0	0	0	0.09	
-8893	NA	SLES	1	-35.8022	-2.18434	-25.7976	NA	0	0	0	0	1	
-8894	S	SLES	1	-33.7412	0.768073	-26.4189	SL	8895	8896	8897	8898	1.33	
-8895	OS1	SLES	1	-33.4375	-0.363386	-25.221	OSL	8894	8899	0	0	-0.28	
-8896	OS2	SLES	1	-33.7536	0.0424865	-27.6722	O2L	8894	0	0	0	-0.65	
-8897	OS3	SLES	1	-35.0596	1.30044	-26.1452	O2L	8894	0	0	0	-0.65	
-8898	OS4	SLES	1	-32.7737	1.85171	-26.4835	O2L	8894	0	0	0	-0.65	
-8899	C2	SLES	1	-32.1076	-0.111291	-24.598	CC32A	8895	8900	8901	8902	-0.11	
-8900	H2A	SLES	1	-31.2989	-0.0958529	-25.3808	HCA2	8899	0	0	0	0.09	
-8901	H2B	SLES	1	-32.1374	0.889903	-24.0852	HCA2	8899	0	0	0	0.09	
-8902	C1	SLES	1	-31.7989	-1.25975	-23.5249	CC32A	8899	8903	8904	8905	-0.01	
-8903	H1B	SLES	1	-31.856	-2.2599	-24.013	HCA2	8902	0	0	0	0.09	
-8904	H1A	SLES	1	-32.5476	-1.2194	-22.6997	HCA2	8902	0	0	0	0.09	
-8905	O1	SLES	1	-30.4951	-1.29844	-22.8345	OC30A	8902	8906	0	0	-0.34	
-8906	C2	SLES	1	-29.7166	-0.0835074	-22.8569	CC32A	8905	8907	8908	8909	-0.01	
-8907	H2A	SLES	1	-29.5576	0.0623772	-23.9433	HCA2	8906	0	0	0	0.09	
-8908	H2B	SLES	1	-30.4466	0.675615	-22.4961	HCA2	8906	0	0	0	0.09	
-8909	C1	SLES	1	-28.3603	0.0942148	-22.1044	CC32A	8906	8910	8911	8912	-0.01	
-8910	H1B	SLES	1	-27.5198	-0.192016	-22.7734	HCA2	8909	0	0	0	0.09	
-8911	H1A	SLES	1	-28.2384	1.15752	-21.8161	HCA2	8909	0	0	0	0.09	
-8912	O1	SLES	1	-28.0005	-0.666656	-20.9067	OC30A	8909	8913	0	0	-0.34	
-8913	C1	SLES	1	-27.1023	0.0332149	-19.97	CTL2	8912	8914	8915	8916	-0.18	
-8914	H11	SLES	1	-26.738	0.940877	-20.4844	HAL2	8913	0	0	0	0.09	
-8915	H12	SLES	1	-27.8129	0.336632	-19.1736	HAL2	8913	0	0	0	0.09	
-8916	C2	SLES	1	-25.8814	-0.740536	-19.332	CTL2	8913	8917	8918	8919	-0.18	
-8917	H21	SLES	1	-25.8507	-1.77472	-19.7422	HAL2	8916	0	0	0	0.09	
-8918	H22	SLES	1	-26.0339	-0.812638	-18.2328	HAL2	8916	0	0	0	0.09	
-8919	C3	SLES	1	-24.4764	-0.0194775	-19.6226	CTL2	8916	8920	8921	8922	-0.18	
-8920	H31	SLES	1	-23.9389	-0.582784	-20.4176	HAL2	8919	0	0	0	0.09	
-8921	H32	SLES	1	-24.6673	1.00439	-20.0014	HAL2	8919	0	0	0	0.09	
-8922	C4	SLES	1	-23.5492	0.0710401	-18.3403	CTL2	8919	8923	8924	8925	-0.18	
-8923	H41	SLES	1	-22.7675	-0.714336	-18.4055	HAL2	8922	0	0	0	0.09	
-8924	H42	SLES	1	-24.16	-0.128388	-17.4335	HAL2	8922	0	0	0	0.09	
-8925	C5	SLES	1	-22.8471	1.49546	-18.1891	CTL2	8922	8926	8927	8928	-0.18	
-8926	H51	SLES	1	-22.8837	2.02394	-19.1673	HAL2	8925	0	0	0	0.09	
-8927	H52	SLES	1	-23.4167	2.10392	-17.45	HAL2	8925	0	0	0	0.09	
-8928	C6	SLES	1	-21.3466	1.39347	-17.7208	CTL2	8925	8929	8930	8931	-0.18	
-8929	H61	SLES	1	-20.7298	1.00367	-18.5615	HAL2	8928	0	0	0	0.09	
-8930	H62	SLES	1	-20.976	2.41437	-17.4681	HAL2	8928	0	0	0	0.09	
-8931	C7	SLES	1	-21.1615	0.464015	-16.4798	CTL2	8928	8932	8933	8934	-0.18	
-8932	H71	SLES	1	-21.1366	-0.594905	-16.8201	HAL2	8931	0	0	0	0.09	
-8933	H72	SLES	1	-22.0343	0.586053	-15.8003	HAL2	8931	0	0	0	0.09	
-8934	C8	SLES	1	-19.8627	0.770338	-15.6932	CTL2	8931	8935	8936	8937	-0.18	
-8935	H81	SLES	1	-19.0172	0.871867	-16.4116	HAL2	8934	0	0	0	0.09	
-8936	H82	SLES	1	-19.9803	1.74153	-15.1606	HAL2	8934	0	0	0	0.09	
-8937	C9	SLES	1	-19.5209	-0.334343	-14.6621	CTL2	8934	8938	8939	8940	-0.18	
-8938	H91	SLES	1	-19.4327	-1.31029	-15.1913	HAL2	8937	0	0	0	0.09	
-8939	H92	SLES	1	-20.354	-0.415843	-13.928	HAL2	8937	0	0	0	0.09	
-8940	C10	SLES	1	-18.2037	-0.0525604	-13.9012	CTL2	8937	8941	8942	8943	-0.18	
-8941	H10	SLES	1	-17.3662	0.00582877	-14.6333	HAL2	8940	0	0	0	0.09	
-8942	H10	SLES	1	-18.2829	0.933459	-13.3898	HAL2	8940	0	0	0	0.09	
-8943	C11	SLES	1	-17.8804	-1.14523	-12.8479	CTL2	8940	8944	8945	8946	-0.18	
-8944	H11	SLES	1	-17.7955	-2.12824	-13.3652	HAL2	8943	0	0	0	0.09	
-8945	H11	SLES	1	-18.7286	-1.21228	-12.1288	HAL2	8943	0	0	0	0.09	
-8946	C12	SLES	1	-16.5734	-0.88269	-12.0559	CTL3	8943	8947	8948	8949	-0.27	
-8947	H12	SLES	1	-15.8583	-1.72229	-12.201	HAL3	8946	0	0	0	0.09	
-8948	H12	SLES	1	-16.7923	-0.787318	-10.9695	HAL3	8946	0	0	0	0.09	
-8949	H12	SLES	1	-16.0919	0.0569904	-12.4042	HAL3	8946	0	0	0	0.09	
-8950	NA	SLES	1	-32.8526	-13.2904	-26.3847	NA	0	0	0	0	1	
-8951	S	SLES	1	-32.5048	-9.65717	-26.2143	SL	8952	8953	8954	8955	1.33	
-8952	OS1	SLES	1	-31.5863	-10.7389	-25.3235	OSL	8951	8956	0	0	-0.28	
-8953	OS2	SLES	1	-32.2957	-9.99421	-27.6072	O2L	8951	0	0	0	-0.65	
-8954	OS3	SLES	1	-33.8841	-9.90431	-25.8497	O2L	8951	0	0	0	-0.65	
-8955	OS4	SLES	1	-32.1763	-8.25879	-25.9884	O2L	8951	0	0	0	-0.65	
-8956	C2	SLES	1	-30.4797	-10.0248	-24.6265	CC32A	8952	8957	8958	8959	-0.11	
-8957	H2A	SLES	1	-29.8557	-9.44486	-25.3623	HCA2	8956	0	0	0	0.09	
-8958	H2B	SLES	1	-30.9288	-9.30763	-23.8847	HCA2	8956	0	0	0	0.09	
-8959	C1	SLES	1	-29.5609	-11.0903	-23.8607	CC32A	8956	8960	8961	8962	-0.01	
-8960	H1B	SLES	1	-29.186	-11.8541	-24.5803	HCA2	8959	0	0	0	0.09	
-8961	H1A	SLES	1	-30.1546	-11.6036	-23.0687	HCA2	8959	0	0	0	0.09	
-8962	O1	SLES	1	-28.3331	-10.6501	-23.1703	OC30A	8959	8963	0	0	-0.34	
-8963	C2	SLES	1	-28.228	-9.24131	-22.8757	CC32A	8962	8964	8965	8966	-0.01	
-8964	H2A	SLES	1	-28.2645	-8.79577	-23.8891	HCA2	8963	0	0	0	0.09	
-8965	H2B	SLES	1	-29.1908	-9.03239	-22.3571	HCA2	8963	0	0	0	0.09	
-8966	C1	SLES	1	-27.0505	-8.60668	-22.0707	CC32A	8963	8967	8968	8969	-0.01	
-8967	H1B	SLES	1	-26.2449	-8.29242	-22.7695	HCA2	8966	0	0	0	0.09	
-8968	H1A	SLES	1	-27.4182	-7.71303	-21.5277	HCA2	8966	0	0	0	0.09	
-8969	O1	SLES	1	-26.258	-9.34758	-21.088	OC30A	8966	8970	0	0	-0.34	
-8970	C1	SLES	1	-25.7103	-8.53357	-19.9873	CTL2	8969	8971	8972	8973	-0.18	
-8971	H11	SLES	1	-25.871	-7.47346	-20.2548	HAL2	8970	0	0	0	0.09	
-8972	H12	SLES	1	-26.3978	-8.79938	-19.1579	HAL2	8970	0	0	0	0.09	
-8973	C2	SLES	1	-24.2128	-8.74373	-19.5298	CTL2	8970	8974	8975	8976	-0.18	
-8974	H21	SLES	1	-23.7372	-9.51156	-20.1802	HAL2	8973	0	0	0	0.09	
-8975	H22	SLES	1	-24.2042	-9.12653	-18.4857	HAL2	8973	0	0	0	0.09	
-8976	C3	SLES	1	-23.3519	-7.39013	-19.6015	CTL2	8973	8977	8978	8979	-0.18	
-8977	H31	SLES	1	-22.6929	-7.42807	-20.4974	HAL2	8976	0	0	0	0.09	
-8978	H32	SLES	1	-24.0403	-6.53006	-19.7221	HAL2	8976	0	0	0	0.09	
-8979	C4	SLES	1	-22.4568	-7.15593	-18.3145	CTL2	8976	8980	8981	8982	-0.18	
-8980	H41	SLES	1	-21.4074	-7.42889	-18.5519	HAL2	8979	0	0	0	0.09	
-8981	H42	SLES	1	-22.8082	-7.82411	-17.499	HAL2	8979	0	0	0	0.09	
-8982	C5	SLES	1	-22.5006	-5.64583	-17.8022	CTL2	8979	8983	8984	8985	-0.18	
-8983	H51	SLES	1	-22.8786	-4.99526	-18.6216	HAL2	8982	0	0	0	0.09	
-8984	H52	SLES	1	-23.2144	-5.57248	-16.9501	HAL2	8982	0	0	0	0.09	
-8985	C6	SLES	1	-21.0924	-5.11417	-17.3379	CTL2	8982	8986	8987	8988	-0.18	
-8986	H61	SLES	1	-20.4506	-4.95674	-18.2337	HAL2	8985	0	0	0	0.09	
-8987	H62	SLES	1	-21.2257	-4.12842	-16.8339	HAL2	8985	0	0	0	0.09	
-8988	C7	SLES	1	-20.369	-6.09189	-16.3586	CTL2	8985	8989	8990	8991	-0.18	
-8989	H71	SLES	1	-19.8799	-6.89926	-16.9475	HAL2	8988	0	0	0	0.09	
-8990	H72	SLES	1	-21.1242	-6.56303	-15.6908	HAL2	8988	0	0	0	0.09	
-8991	C8	SLES	1	-19.2992	-5.38384	-15.4904	CTL2	8988	8992	8993	8994	-0.18	
-8992	H81	SLES	1	-18.6773	-4.72782	-16.1418	HAL2	8991	0	0	0	0.09	
-8993	H82	SLES	1	-19.809	-4.73884	-14.739	HAL2	8991	0	0	0	0.09	
-8994	C9	SLES	1	-18.3763	-6.38684	-14.7538	CTL2	8991	8995	8996	8997	-0.18	
-8995	H91	SLES	1	-17.8896	-7.05077	-15.5039	HAL2	8994	0	0	0	0.09	
-8996	H92	SLES	1	-18.9952	-7.02342	-14.082	HAL2	8994	0	0	0	0.09	
-8997	C10	SLES	1	-17.2813	-5.68485	-13.9162	CTL2	8994	8998	8999	9000	-0.18	
-8998	H10	SLES	1	-16.6475	-5.06614	-14.5916	HAL2	8997	0	0	0	0.09	
-8999	H10	SLES	1	-17.7666	-5.00401	-13.1807	HAL2	8997	0	0	0	0.09	
-9000	C11	SLES	1	-16.3781	-6.69167	-13.1555	CTL2	8997	9001	9002	9003	-0.18	
-9001	H11	SLES	1	-15.8898	-7.36583	-13.8959	HAL2	9000	0	0	0	0.09	
-9002	H11	SLES	1	-17.0185	-7.3199	-12.495	HAL2	9000	0	0	0	0.09	
-9003	C12	SLES	1	-15.2799	-6.0179	-12.2927	CTL3	9000	9004	9005	9006	-0.27	
-9004	H12	SLES	1	-14.271	-6.35084	-12.6223	HAL3	9003	0	0	0	0.09	
-9005	H12	SLES	1	-15.41	-6.28813	-11.2215	HAL3	9003	0	0	0	0.09	
-9006	H12	SLES	1	-15.3368	-4.91167	-12.3884	HAL3	9003	0	0	0	0.09	
-9007	NA	SLES	1	-26.7096	-22.5551	-27.0175	NA	0	0	0	0	1	
-9008	S	SLES	1	-28.069	-19.3207	-25.9972	SL	9009	9010	9011	9012	1.33	
-9009	OS1	SLES	1	-26.6213	-19.9565	-25.4429	OSL	9008	9013	0	0	-0.28	
-9010	OS2	SLES	1	-27.9577	-19.2485	-27.4394	O2L	9008	0	0	0	-0.65	
-9011	OS3	SLES	1	-29.0947	-20.2744	-25.6298	O2L	9008	0	0	0	-0.65	
-9012	OS4	SLES	1	-28.3967	-18.01	-25.4595	O2L	9008	0	0	0	-0.65	
-9013	C2	SLES	1	-25.8768	-18.9344	-24.6546	CC32A	9009	9014	9015	9016	-0.11	
-9014	H2A	SLES	1	-25.7238	-17.9988	-25.2615	HCA2	9013	0	0	0	0.09	
-9015	H2B	SLES	1	-26.4801	-18.6803	-23.7393	HCA2	9013	0	0	0	0.09	
-9016	C1	SLES	1	-24.4569	-19.5332	-24.2175	CC32A	9013	9017	9018	9019	-0.01	
-9017	H1B	SLES	1	-23.8929	-19.8675	-25.1186	HCA2	9016	0	0	0	0.09	
-9018	H1A	SLES	1	-24.6054	-20.4075	-23.5418	HCA2	9016	0	0	0	0.09	
-9019	O1	SLES	1	-23.4806	-18.6839	-23.508	OC30A	9016	9020	0	0	-0.34	
-9020	C2	SLES	1	-23.9964	-17.4865	-22.8892	CC32A	9019	9021	9022	9023	-0.01	
-9021	H2A	SLES	1	-24.4007	-16.9378	-23.7624	HCA2	9020	0	0	0	0.09	
-9022	H2B	SLES	1	-24.8465	-17.8759	-22.2852	HCA2	9020	0	0	0	0.09	
-9023	C1	SLES	1	-23.1356	-16.5172	-22.0192	CC32A	9020	9024	9025	9026	-0.01	
-9024	H1B	SLES	1	-22.6948	-15.7258	-22.6638	HCA2	9023	0	0	0	0.09	
-9025	H1A	SLES	1	-23.7825	-16.0362	-21.2585	HCA2	9023	0	0	0	0.09	
-9026	O1	SLES	1	-21.941	-16.9414	-21.2872	OC30A	9023	9027	0	0	-0.34	
-9027	C1	SLES	1	-21.6635	-16.1825	-20.0539	CTL2	9026	9028	9029	9030	-0.18	
-9028	H11	SLES	1	-22.34	-15.3087	-20.0496	HAL2	9027	0	0	0	0.09	
-9029	H12	SLES	1	-22.0026	-16.8988	-19.2773	HAL2	9027	0	0	0	0.09	
-9030	C2	SLES	1	-20.188	-15.7121	-19.7407	CTL2	9027	9031	9032	9033	-0.18	
-9031	H21	SLES	1	-19.5233	-16.0132	-20.5811	HAL2	9030	0	0	0	0.09	
-9032	H22	SLES	1	-19.8321	-16.2266	-18.8214	HAL2	9030	0	0	0	0.09	
-9033	C3	SLES	1	-20.0803	-14.1238	-19.5306	CTL2	9030	9034	9035	9036	-0.18	
-9034	H31	SLES	1	-19.6355	-13.668	-20.4431	HAL2	9033	0	0	0	0.09	
-9035	H32	SLES	1	-21.099	-13.7061	-19.404	HAL2	9033	0	0	0	0.09	
-9036	C4	SLES	1	-19.2003	-13.723	-18.2747	CTL2	9033	9037	9038	9039	-0.18	
-9037	H41	SLES	1	-18.199	-13.3975	-18.6262	HAL2	9036	0	0	0	0.09	
-9038	H42	SLES	1	-19.0623	-14.6149	-17.6262	HAL2	9036	0	0	0	0.09	
-9039	C5	SLES	1	-19.8572	-12.5524	-17.4127	CTL2	9036	9040	9041	9042	-0.18	
-9040	H51	SLES	1	-20.6224	-12.0322	-18.0302	HAL2	9039	0	0	0	0.09	
-9041	H52	SLES	1	-20.3733	-12.9969	-16.5312	HAL2	9039	0	0	0	0.09	
-9042	C6	SLES	1	-18.8034	-11.495	-16.9098	CTL2	9039	9043	9044	9045	-0.18	
-9043	H61	SLES	1	-18.4644	-10.8812	-17.7743	HAL2	9042	0	0	0	0.09	
-9044	H62	SLES	1	-19.2956	-10.8135	-16.1772	HAL2	9042	0	0	0	0.09	
-9045	C7	SLES	1	-17.5594	-12.1542	-16.2343	CTL2	9042	9046	9047	9048	-0.18	
-9046	H71	SLES	1	-16.8545	-12.4938	-17.0253	HAL2	9045	0	0	0	0.09	
-9047	H72	SLES	1	-17.8884	-13.0488	-15.6602	HAL2	9045	0	0	0	0.09	
-9048	C8	SLES	1	-16.8162	-11.1868	-15.2796	CTL2	9045	9049	9050	9051	-0.18	
-9049	H81	SLES	1	-16.6866	-10.2031	-15.7864	HAL2	9048	0	0	0	0.09	
-9050	H82	SLES	1	-17.4372	-11.0257	-14.3691	HAL2	9048	0	0	0	0.09	
-9051	C9	SLES	1	-15.4265	-11.725	-14.8561	CTL2	9048	9052	9053	9054	-0.18	
-9052	H91	SLES	1	-14.8167	-11.9138	-15.7687	HAL2	9051	0	0	0	0.09	
-9053	H92	SLES	1	-15.5592	-12.6945	-14.3251	HAL2	9051	0	0	0	0.09	
-9054	C10	SLES	1	-14.6635	-10.7448	-13.9338	CTL2	9051	9055	9056	9057	-0.18	
-9055	H10	SLES	1	-14.5101	-9.78252	-14.4734	HAL2	9054	0	0	0	0.09	
-9056	H10	SLES	1	-15.2824	-10.5382	-13.0314	HAL2	9054	0	0	0	0.09	
-9057	C11	SLES	1	-13.2853	-11.3003	-13.4868	CTL2	9054	9058	9059	9060	-0.18	
-9058	H11	SLES	1	-12.6677	-11.4988	-14.3924	HAL2	9057	0	0	0	0.09	
-9059	H11	SLES	1	-13.4424	-12.2712	-12.9636	HAL2	9057	0	0	0	0.09	
-9060	C12	SLES	1	-12.5023	-10.3473	-12.547	CTL3	9057	9061	9062	9063	-0.27	
-9061	H12	SLES	1	-11.5234	-10.0758	-13.0003	HAL3	9060	0	0	0	0.09	
-9062	H12	SLES	1	-12.3149	-10.8388	-11.5669	HAL3	9060	0	0	0	0.09	
-9063	H12	SLES	1	-13.0819	-9.41501	-12.3708	HAL3	9060	0	0	0	0.09	
-9064	NA	SLES	1	-18.3076	-29.2109	-27.634	NA	0	0	0	0	1	
-9065	S	SLES	1	-20.7563	-27.2236	-25.7888	SL	9066	9067	9068	9069	1.33	
-9066	OS1	SLES	1	-19.0983	-27.1267	-25.5675	OSL	9065	9070	0	0	-0.28	
-9067	OS2	SLES	1	-20.9999	-26.9263	-27.1851	O2L	9065	0	0	0	-0.65	
-9068	OS3	SLES	1	-21.1207	-28.5963	-25.5069	O2L	9065	0	0	0	-0.65	
-9069	OS4	SLES	1	-21.5301	-26.3238	-24.9485	O2L	9065	0	0	0	-0.65	
-9070	C2	SLES	1	-18.7624	-25.9782	-24.6795	CC32A	9066	9071	9072	9073	-0.11	
-9071	H2A	SLES	1	-19.1918	-25.0213	-25.0884	HCA2	9070	0	0	0	0.09	
-9072	H2B	SLES	1	-19.205	-26.1711	-23.6631	HCA2	9070	0	0	0	0.09	
-9073	C1	SLES	1	-17.1703	-25.8483	-24.5605	CC32A	9070	9074	9075	9076	-0.01	
-9074	H1B	SLES	1	-16.7214	-25.7456	-25.5753	HCA2	9073	0	0	0	0.09	
-9075	H1A	SLES	1	-16.7506	-26.7588	-24.0726	HCA2	9073	0	0	0	0.09	
-9076	O1	SLES	1	-16.5716	-24.7245	-23.8146	OC30A	9073	9077	0	0	-0.34	
-9077	C2	SLES	1	-17.4378	-24.025	-22.8963	CC32A	9076	9078	9079	9080	-0.01	
-9078	H2A	SLES	1	-18.2248	-23.6429	-23.5756	HCA2	9077	0	0	0	0.09	
-9079	H2B	SLES	1	-17.8616	-24.8549	-22.2872	HCA2	9077	0	0	0	0.09	
-9080	C1	SLES	1	-16.9599	-22.8749	-21.955	CC32A	9077	9081	9082	9083	-0.01	
-9081	H1B	SLES	1	-17.083	-21.8956	-22.4668	HCA2	9080	0	0	0	0.09	
-9082	H1A	SLES	1	-17.5778	-22.8747	-21.0347	HCA2	9080	0	0	0	0.09	
-9083	O1	SLES	1	-15.58	-22.7427	-21.4848	OC30A	9080	9084	0	0	-0.34	
-9084	C1	SLES	1	-15.43	-22.1066	-20.1631	CTL2	9083	9085	9086	9087	-0.18	
-9085	H11	SLES	1	-16.4154	-21.6883	-19.8889	HAL2	9084	0	0	0	0.09	
-9086	H12	SLES	1	-15.2261	-22.9876	-19.52	HAL2	9084	0	0	0	0.09	
-9087	C2	SLES	1	-14.3105	-21.0134	-19.9441	CTL2	9084	9088	9089	9090	-0.18	
-9088	H21	SLES	1	-13.7774	-20.84	-20.9056	HAL2	9087	0	0	0	0.09	
-9089	H22	SLES	1	-13.5712	-21.3958	-19.2068	HAL2	9087	0	0	0	0.09	
-9090	C3	SLES	1	-14.9072	-19.619	-19.4169	CTL2	9087	9091	9092	9093	-0.18	
-9091	H31	SLES	1	-14.9286	-18.8932	-20.2601	HAL2	9090	0	0	0	0.09	
-9092	H32	SLES	1	-15.9505	-19.7773	-19.0782	HAL2	9090	0	0	0	0.09	
-9093	C4	SLES	1	-14.0682	-18.997	-18.2246	CTL2	9090	9094	9095	9096	-0.18	
-9094	H41	SLES	1	-13.4311	-18.1793	-18.6213	HAL2	9093	0	0	0	0.09	
-9095	H42	SLES	1	-13.3995	-19.778	-17.8026	HAL2	9093	0	0	0	0.09	
-9096	C5	SLES	1	-14.9919	-18.4207	-17.0586	CTL2	9093	9097	9098	9099	-0.18	
-9097	H51	SLES	1	-16.0222	-18.2728	-17.4511	HAL2	9096	0	0	0	0.09	
-9098	H52	SLES	1	-15.0437	-19.1679	-16.2341	HAL2	9096	0	0	0	0.09	
-9099	C6	SLES	1	-14.4665	-17.0536	-16.4785	CTL2	9096	9100	9101	9102	-0.18	
-9100	H61	SLES	1	-14.6418	-16.2499	-17.2285	HAL2	9099	0	0	0	0.09	
-9101	H62	SLES	1	-15.0498	-16.801	-15.5623	HAL2	9099	0	0	0	0.09	
-9102	C7	SLES	1	-12.9474	-17.0923	-16.1192	CTL2	9099	9103	9104	9105	-0.18	
-9103	H71	SLES	1	-12.3514	-16.9384	-17.0459	HAL2	9102	0	0	0	0.09	
-9104	H72	SLES	1	-12.6953	-18.0966	-15.7115	HAL2	9102	0	0	0	0.09	
-9105	C8	SLES	1	-12.5519	-16.0123	-15.0815	CTL2	9102	9106	9107	9108	-0.18	
-9106	H81	SLES	1	-13.0025	-15.0381	-15.38	HAL2	9105	0	0	0	0.09	
-9107	H82	SLES	1	-12.9678	-16.2936	-14.0872	HAL2	9105	0	0	0	0.09	
-9108	C9	SLES	1	-11.0167	-15.8435	-14.9589	CTL2	9105	9109	9110	9111	-0.18	
-9109	H91	SLES	1	-10.5981	-15.5914	-15.9596	HAL2	9108	0	0	0	0.09	
-9110	H92	SLES	1	-10.5703	-16.8101	-14.6334	HAL2	9108	0	0	0	0.09	
-9111	C10	SLES	1	-10.617	-14.7388	-13.9523	CTL2	9108	9112	9113	9114	-0.18	
-9112	H10	SLES	1	-11.0442	-13.7671	-14.2903	HAL2	9111	0	0	0	0.09	
-9113	H10	SLES	1	-11.0539	-14.9788	-12.9565	HAL2	9111	0	0	0	0.09	
-9114	C11	SLES	1	-9.07874	-14.5935	-13.8092	CTL2	9111	9115	9116	9117	-0.18	
-9115	H11	SLES	1	-8.64742	-14.3468	-14.8063	HAL2	9114	0	0	0	0.09	
-9116	H11	SLES	1	-8.65433	-15.5723	-13.4886	HAL2	9114	0	0	0	0.09	
-9117	C12	SLES	1	-8.64556	-13.5044	-12.794	CTL3	9114	9118	9119	9120	-0.27	
-9118	H12	SLES	1	-8.02439	-12.7314	-13.298	HAL3	9117	0	0	0	0.09	
-9119	H12	SLES	1	-8.04904	-13.9577	-11.9718	HAL3	9117	0	0	0	0.09	
-9120	H12	SLES	1	-9.53806	-13.0094	-12.3529	HAL3	9117	0	0	0	0.09	
-9121	NA	SLES	1	-8.65654	-32.9147	-28.1739	NA	0	0	0	0	1	
-9122	S	SLES	1	-11.2234	-32.4838	-25.6095	SL	9123	9124	9125	9126	1.33	
-9123	OS1	SLES	1	-9.80267	-31.5988	-25.685	OSL	9122	9127	0	0	-0.28	
-9124	OS2	SLES	1	-11.905	-32.2701	-26.8694	O2L	9122	0	0	0	-0.65	
-9125	OS3	SLES	1	-10.8276	-33.8718	-25.4932	O2L	9122	0	0	0	-0.65	
-9126	OS4	SLES	1	-12.0991	-32.1249	-24.5056	O2L	9122	0	0	0	-0.65	
-9127	C2	SLES	1	-9.83712	-30.4822	-24.6989	CC32A	9123	9128	9129	9130	-0.11	
-9128	H2A	SLES	1	-10.7463	-29.8383	-24.8598	HCA2	9127	0	0	0	0.09	
-9129	H2B	SLES	1	-9.88005	-30.9211	-23.6637	HCA2	9127	0	0	0	0.09	
-9130	C1	SLES	1	-8.51245	-29.5954	-24.8561	CC32A	9127	9131	9132	9133	-0.01	
-9131	H1B	SLES	1	-8.42184	-29.232	-25.9056	HCA2	9130	0	0	0	0.09	
-9132	H1A	SLES	1	-7.61413	-30.208	-24.6092	HCA2	9130	0	0	0	0.09	
-9133	O1	SLES	1	-8.34574	-28.364	-24.06	OC30A	9130	9134	0	0	-0.34	
-9134	C2	SLES	1	-9.18819	-28.2288	-22.8962	CC32A	9133	9135	9136	9137	-0.01	
-9135	H2A	SLES	1	-10.1998	-28.2457	-23.347	HCA2	9134	0	0	0	0.09	
-9136	H2B	SLES	1	-9.01684	-29.191	-22.3631	HCA2	9134	0	0	0	0.09	
-9137	C1	SLES	1	-9.08966	-27.044	-21.8842	CC32A	9134	9138	9139	9140	-0.01	
-9138	H1B	SLES	1	-9.77303	-26.225	-22.1978	HCA2	9137	0	0	0	0.09	
-9139	H1A	SLES	1	-9.39488	-27.3956	-20.8783	HCA2	9137	0	0	0	0.09	
-9140	O1	SLES	1	-7.8624	-26.2779	-21.6615	OC30A	9137	9141	0	0	-0.34	
-9141	C1	SLES	1	-7.71262	-25.7213	-20.3043	CTL2	9140	9142	9143	9144	-0.18	
-9142	H11	SLES	1	-8.6808	-25.8548	-19.7886	HAL2	9141	0	0	0	0.09	
-9143	H12	SLES	1	-6.97454	-26.4222	-19.8625	HAL2	9141	0	0	0	0.09	
-9144	C2	SLES	1	-7.21469	-24.2332	-20.1202	CTL2	9141	9145	9146	9147	-0.18	
-9145	H21	SLES	1	-7.0723	-23.7699	-21.1221	HAL2	9144	0	0	0	0.09	
-9146	H22	SLES	1	-6.22961	-24.243	-19.6043	HAL2	9144	0	0	0	0.09	
-9147	C3	SLES	1	-8.2448	-23.3405	-19.2715	CTL2	9144	9148	9149	9150	-0.18	
-9148	H31	SLES	1	-8.80334	-22.6745	-19.9663	HAL2	9147	0	0	0	0.09	
-9149	H32	SLES	1	-8.97855	-24.0075	-18.7767	HAL2	9147	0	0	0	0.09	
-9150	C4	SLES	1	-7.53256	-22.4518	-18.1691	CTL2	9147	9151	9152	9153	-0.18	
-9151	H41	SLES	1	-7.46551	-21.4069	-18.5377	HAL2	9150	0	0	0	0.09	
-9152	H42	SLES	1	-6.49816	-22.826	-18.011	HAL2	9150	0	0	0	0.09	
-9153	C5	SLES	1	-8.30717	-22.465	-16.7746	CTL2	9150	9154	9155	9156	-0.18	
-9154	H51	SLES	1	-9.34811	-22.8203	-16.9408	HAL2	9153	0	0	0	0.09	
-9155	H52	SLES	1	-7.80555	-23.1845	-16.0879	HAL2	9153	0	0	0	0.09	
-9156	C6	SLES	1	-8.35591	-21.049	-16.0862	CTL2	9153	9157	9158	9159	-0.18	
-9157	H61	SLES	1	-9.05939	-20.3956	-16.6496	HAL2	9156	0	0	0	0.09	
-9158	H62	SLES	1	-8.75006	-21.1638	-15.0494	HAL2	9156	0	0	0	0.09	
-9159	C7	SLES	1	-6.95727	-20.3574	-16.0245	CTL2	9156	9160	9161	9162	-0.18	
-9160	H71	SLES	1	-6.74391	-19.882	-17.0074	HAL2	9159	0	0	0	0.09	
-9161	H72	SLES	1	-6.17738	-21.1294	-15.8397	HAL2	9159	0	0	0	0.09	
-9162	C8	SLES	1	-6.87308	-19.2792	-14.9154	CTL2	9159	9163	9164	9165	-0.18	
-9163	H81	SLES	1	-7.78192	-18.6365	-14.9626	HAL2	9162	0	0	0	0.09	
-9164	H82	SLES	1	-6.85749	-19.7807	-13.9209	HAL2	9162	0	0	0	0.09	
-9165	C9	SLES	1	-5.61417	-18.3866	-15.0521	CTL2	9162	9166	9167	9168	-0.18	
-9166	H91	SLES	1	-5.61539	-17.9088	-16.0581	HAL2	9165	0	0	0	0.09	
-9167	H92	SLES	1	-4.70598	-19.0262	-14.9769	HAL2	9165	0	0	0	0.09	
-9168	C10	SLES	1	-5.54545	-17.2832	-13.97	CTL2	9165	9169	9170	9171	-0.18	
-9169	H10	SLES	1	-6.44254	-16.629	-14.0602	HAL2	9168	0	0	0	0.09	
-9170	H10	SLES	1	-5.56653	-17.7591	-12.9635	HAL2	9168	0	0	0	0.09	
-9171	C11	SLES	1	-4.268	-16.4106	-14.0913	CTL2	9168	9172	9173	9174	-0.18	
-9172	H11	SLES	1	-4.25505	-15.9314	-15.097	HAL2	9171	0	0	0	0.09	
-9173	H11	SLES	1	-3.37408	-17.0713	-14.0186	HAL2	9171	0	0	0	0.09	
-9174	C12	SLES	1	-4.16139	-15.3048	-13.0095	CTL3	9171	9175	9176	9177	-0.27	
-9175	H12	SLES	1	-4.11288	-14.301	-13.4864	HAL3	9174	0	0	0	0.09	
-9176	H12	SLES	1	-3.24462	-15.4507	-12.3967	HAL3	9174	0	0	0	0.09	
-9177	H12	SLES	1	-5.04592	-15.335	-12.3366	HAL3	9174	0	0	0	0.09	
-9178	NA	SLES	1	1.32835	-33.6638	-28.5844	NA	0	0	0	0	1	
-9179	S	SLES	1	-0.419184	-34.4639	-25.477	SL	9180	9181	9182	9183	1.33	
-9180	OS1	SLES	1	0.346336	-33.0055	-25.784	OSL	9179	9184	0	0	-0.28	
-9181	OS2	SLES	1	-1.40597	-34.6353	-26.5231	O2L	9179	0	0	0	-0.65	
-9182	OS3	SLES	1	0.600528	-35.4857	-25.5899	O2L	9179	0	0	0	-0.65	
-9183	OS4	SLES	1	-1.05939	-34.5459	-24.1739	O2L	9179	0	0	0	-0.65	
-9184	C2	SLES	1	0.0309875	-32.021	-24.7109	CC32A	9180	9185	9186	9187	-0.11	
-9185	H2A	SLES	1	-1.08243	-31.8995	-24.5981	HCA2	9184	0	0	0	0.09	
-9186	H2B	SLES	1	0.455982	-32.4016	-23.7409	HCA2	9184	0	0	0	0.09	
-9187	C1	SLES	1	0.694373	-30.6093	-25.0752	CC32A	9184	9188	9189	9190	-0.01	
-9188	H1B	SLES	1	0.341925	-30.2721	-26.0771	HCA2	9187	0	0	0	0.09	
-9189	H1A	SLES	1	1.80483	-30.7065	-25.099	HCA2	9187	0	0	0	0.09	
-9190	O1	SLES	1	0.448382	-29.4317	-24.2204	OC30A	9187	9191	0	0	-0.34	
-9191	C2	SLES	1	-0.0432398	-29.6921	-22.8888	CC32A	9190	9192	9193	9194	-0.01	
-9192	H2A	SLES	1	-1.00194	-30.2055	-23.0989	HCA2	9191	0	0	0	0.09	
-9193	H2B	SLES	1	0.687401	-30.4394	-22.5054	HCA2	9191	0	0	0	0.09	
-9194	C1	SLES	1	-0.271905	-28.5832	-21.8139	CC32A	9191	9195	9196	9197	-0.01	
-9195	H1B	SLES	1	-1.31438	-28.2031	-21.883	HCA2	9194	0	0	0	0.09	
-9196	H1A	SLES	1	-0.117396	-29.0145	-20.8046	HCA2	9194	0	0	0	0.09	
-9197	O1	SLES	1	0.459182	-27.3151	-21.7999	OC30A	9194	9198	0	0	-0.34	
-9198	C1	SLES	1	0.655529	-26.7234	-20.4637	CTL2	9197	9199	9200	9201	-0.18	
-9199	H11	SLES	1	0.0256561	-27.2951	-19.7583	HAL2	9198	0	0	0	0.09	
-9200	H12	SLES	1	1.71994	-26.9708	-20.2711	HAL2	9198	0	0	0	0.09	
-9201	C2	SLES	1	0.418546	-25.1758	-20.2515	CTL2	9198	9202	9203	9204	-0.18	
-9202	H21	SLES	1	0.0743478	-24.7251	-21.2092	HAL2	9201	0	0	0	0.09	
-9203	H22	SLES	1	1.38337	-24.697	-19.975	HAL2	9201	0	0	0	0.09	
-9204	C3	SLES	1	-0.667353	-24.8708	-19.1086	CTL2	9201	9205	9206	9207	-0.18	
-9205	H31	SLES	1	-1.6253	-24.5735	-19.5905	HAL2	9204	0	0	0	0.09	
-9206	H32	SLES	1	-0.851682	-25.7972	-18.5289	HAL2	9204	0	0	0	0.09	
-9207	C4	SLES	1	-0.214457	-23.723	-18.1138	CTL2	9204	9208	9209	9210	-0.18	
-9208	H41	SLES	1	-0.7421	-22.7844	-18.3835	HAL2	9207	0	0	0	0.09	
-9209	H42	SLES	1	0.876737	-23.5481	-18.2309	HAL2	9207	0	0	0	0.09	
-9210	C5	SLES	1	-0.521962	-24.0753	-16.5886	CTL2	9207	9211	9212	9213	-0.18	
-9211	H51	SLES	1	-1.27573	-24.8924	-16.5495	HAL2	9210	0	0	0	0.09	
-9212	H52	SLES	1	0.411157	-24.4471	-16.107	HAL2	9210	0	0	0	0.09	
-9213	C6	SLES	1	-1.06393	-22.8425	-15.7713	CTL2	9210	9214	9215	9216	-0.18	
-9214	H61	SLES	1	-2.10634	-22.6231	-16.0942	HAL2	9213	0	0	0	0.09	
-9215	H62	SLES	1	-1.08904	-23.1087	-14.6887	HAL2	9213	0	0	0	0.09	
-9216	C7	SLES	1	-0.191986	-21.5609	-15.9594	CTL2	9213	9217	9218	9219	-0.18	
-9217	H71	SLES	1	-0.477143	-21.065	-16.9136	HAL2	9216	0	0	0	0.09	
-9218	H72	SLES	1	0.878391	-21.8564	-16.0323	HAL2	9216	0	0	0	0.09	
-9219	C8	SLES	1	-0.35857	-20.55	-14.7975	CTL2	9216	9220	9221	9222	-0.18	
-9220	H81	SLES	1	-1.44328	-20.4265	-14.5749	HAL2	9219	0	0	0	0.09	
-9221	H82	SLES	1	0.135495	-20.958	-13.8865	HAL2	9219	0	0	0	0.09	
-9222	C9	SLES	1	0.251377	-19.1643	-15.1268	CTL2	9219	9223	9224	9225	-0.18	
-9223	H91	SLES	1	-0.222203	-18.7703	-16.0545	HAL2	9222	0	0	0	0.09	
-9224	H92	SLES	1	1.34089	-19.2846	-15.3217	HAL2	9222	0	0	0	0.09	
-9225	C10	SLES	1	0.0531101	-18.1393	-13.9851	CTL2	9222	9226	9227	9228	-0.18	
-9226	H10	SLES	1	-1.03754	-18.0014	-13.8056	HAL2	9225	0	0	0	0.09	
-9227	H10	SLES	1	0.507048	-18.5425	-13.0515	HAL2	9225	0	0	0	0.09	
-9228	C11	SLES	1	0.692018	-16.762	-14.3055	CTL2	9225	9229	9230	9231	-0.18	
-9229	H11	SLES	1	0.229882	-16.3599	-15.236	HAL2	9228	0	0	0	0.09	
-9230	H11	SLES	1	1.77883	-16.9077	-14.5018	HAL2	9228	0	0	0	0.09	
-9231	C12	SLES	1	0.524628	-15.7167	-13.1724	CTL3	9228	9232	9233	9234	-0.27	
-9232	H12	SLES	1	-0.0258133	-14.8255	-13.5469	HAL3	9231	0	0	0	0.09	
-9233	H12	SLES	1	1.51981	-15.3878	-12.7998	HAL3	9231	0	0	0	0.09	
-9234	H12	SLES	1	-0.0447754	-16.1538	-12.3234	HAL3	9231	0	0	0	0.09	
-9235	NA	SLES	1	10.9051	-31.6586	-28.8253	NA	0	0	0	0	1	
-9236	S	SLES	1	10.5138	-32.8802	-25.404	SL	9237	9238	9239	9240	1.33	
-9237	OS1	SLES	1	10.3889	-31.2713	-25.8548	OSL	9236	9241	0	0	-0.28	
-9238	OS2	SLES	1	9.52502	-33.5996	-26.18	O2L	9236	0	0	0	-0.65	
-9239	OS3	SLES	1	11.8442	-33.3039	-25.7877	O2L	9236	0	0	0	-0.65	
-9240	OS4	SLES	1	10.3058	-33.1267	-23.9861	O2L	9236	0	0	0	-0.65	
-9241	C2	SLES	1	9.88958	-30.4529	-24.7141	CC32A	9237	9242	9243	9244	-0.11	
-9242	H2A	SLES	1	8.91405	-30.8618	-24.3291	HCA2	9241	0	0	0	0.09	
-9243	H2B	SLES	1	10.6519	-30.4899	-23.8873	HCA2	9241	0	0	0	0.09	
-9244	C1	SLES	1	9.68785	-28.9388	-25.1965	CC32A	9241	9245	9246	9247	-0.01	
-9245	H1B	SLES	1	9.00063	-28.9087	-26.0732	HCA2	9244	0	0	0	0.09	
-9246	H1A	SLES	1	10.6693	-28.5013	-25.4941	HCA2	9244	0	0	0	0.09	
-9247	O1	SLES	1	9.10474	-27.94	-24.2799	OC30A	9244	9248	0	0	-0.34	
-9248	C2	SLES	1	9.11499	-28.2696	-22.875	CC32A	9247	9249	9250	9251	-0.01	
-9249	H2A	SLES	1	8.50376	-29.1932	-22.8557	HCA2	9248	0	0	0	0.09	
-9250	H2B	SLES	1	10.1804	-28.541	-22.7002	HCA2	9248	0	0	0	0.09	
-9251	C1	SLES	1	8.62939	-27.3011	-21.7509	CC32A	9248	9252	9253	9254	-0.01	
-9252	H1B	SLES	1	7.5481	-27.4679	-21.5533	HCA2	9251	0	0	0	0.09	
-9253	H1A	SLES	1	9.19616	-27.5066	-20.8208	HCA2	9251	0	0	0	0.09	
-9254	O1	SLES	1	8.63968	-25.8436	-21.8866	OC30A	9251	9255	0	0	-0.34	
-9255	C1	SLES	1	8.82227	-25.1014	-20.6257	CTL2	9254	9256	9257	9258	-0.18	
-9256	H11	SLES	1	8.72423	-25.8306	-19.8012	HAL2	9255	0	0	0	0.09	
-9257	H12	SLES	1	9.88598	-24.7959	-20.7058	HAL2	9255	0	0	0	0.09	
-9258	C2	SLES	1	7.92319	-23.8374	-20.3254	CTL2	9255	9259	9260	9261	-0.18	
-9259	H21	SLES	1	7.19816	-23.6995	-21.1585	HAL2	9258	0	0	0	0.09	
-9260	H22	SLES	1	8.57131	-22.9348	-20.2826	HAL2	9258	0	0	0	0.09	
-9261	C3	SLES	1	7.11513	-23.9715	-18.9442	CTL2	9258	9262	9263	9264	-0.18	
-9262	H31	SLES	1	6.05211	-24.2114	-19.1694	HAL2	9261	0	0	0	0.09	
-9263	H32	SLES	1	7.53686	-24.8129	-18.3591	HAL2	9261	0	0	0	0.09	
-9264	C4	SLES	1	7.16953	-22.6545	-18.064	CTL2	9261	9265	9266	9267	-0.18	
-9265	H41	SLES	1	6.20932	-22.1086	-18.1738	HAL2	9264	0	0	0	0.09	
-9266	H42	SLES	1	7.98226	-21.997	-18.4409	HAL2	9264	0	0	0	0.09	
-9267	C5	SLES	1	7.42362	-22.9585	-16.5187	CTL2	9264	9268	9269	9270	-0.18	
-9268	H51	SLES	1	7.18862	-24.0266	-16.3153	HAL2	9267	0	0	0	0.09	
-9269	H52	SLES	1	8.50153	-22.7957	-16.2895	HAL2	9267	0	0	0	0.09	
-9270	C6	SLES	1	6.55495	-22.055	-15.5645	CTL2	9267	9271	9272	9273	-0.18	
-9271	H61	SLES	1	5.49389	-22.3874	-15.6168	HAL2	9270	0	0	0	0.09	
-9272	H62	SLES	1	6.90658	-22.1936	-14.5154	HAL2	9270	0	0	0	0.09	
-9273	C7	SLES	1	6.63228	-20.5389	-15.9303	CTL2	9270	9274	9275	9276	-0.18	
-9274	H71	SLES	1	5.93622	-20.3332	-16.7735	HAL2	9273	0	0	0	0.09	
-9275	H72	SLES	1	7.66428	-20.2988	-16.2704	HAL2	9273	0	0	0	0.09	
-9276	C8	SLES	1	6.2661	-19.6183	-14.7395	CTL2	9273	9277	9278	9279	-0.18	
-9277	H81	SLES	1	5.3388	-20.0012	-14.2549	HAL2	9276	0	0	0	0.09	
-9278	H82	SLES	1	7.08685	-19.6525	-13.9873	HAL2	9276	0	0	0	0.09	
-9279	C9	SLES	1	6.03969	-18.1489	-15.1754	CTL2	9276	9280	9281	9282	-0.18	
-9280	H91	SLES	1	5.23926	-18.1189	-15.9492	HAL2	9279	0	0	0	0.09	
-9281	H92	SLES	1	6.97577	-17.7582	-15.6343	HAL2	9279	0	0	0	0.09	
-9282	C10	SLES	1	5.63535	-17.2329	-13.996	CTL2	9279	9283	9284	9285	-0.18	
-9283	H10	SLES	1	4.68623	-17.6101	-13.5514	HAL2	9282	0	0	0	0.09	
-9284	H10	SLES	1	6.42483	-17.2796	-13.2121	HAL2	9282	0	0	0	0.09	
-9285	C11	SLES	1	5.43942	-15.7562	-14.4307	CTL2	9282	9286	9287	9288	-0.18	
-9286	H11	SLES	1	4.64419	-15.7141	-15.2097	HAL2	9285	0	0	0	0.09	
-9287	H11	SLES	1	6.38521	-15.3892	-14.8908	HAL2	9285	0	0	0	0.09	
-9288	C12	SLES	1	5.04946	-14.8087	-13.2668	CTL3	9285	9289	9290	9291	-0.27	
-9289	H12	SLES	1	4.06918	-14.3254	-13.4737	HAL3	9288	0	0	0	0.09	
-9290	H12	SLES	1	5.81728	-14.0136	-13.1419	HAL3	9288	0	0	0	0.09	
-9291	H12	SLES	1	4.97013	-15.3773	-12.3147	HAL3	9288	0	0	0	0.09	
-9292	NA	SLES	1	19.4877	-27.1785	-28.8729	NA	0	0	0	0	1	
-9293	S	SLES	1	20.3839	-27.865	-25.3979	SL	9294	9295	9296	9297	1.33	
-9294	OS1	SLES	1	19.406	-26.5968	-25.8905	OSL	9293	9298	0	0	-0.28	
-9295	OS2	SLES	1	19.7509	-29.0775	-25.8739	O2L	9293	0	0	0	-0.65	
-9296	OS3	SLES	1	21.6542	-27.6775	-26.067	O2L	9293	0	0	0	-0.65	
-9297	OS4	SLES	1	20.589	-27.9447	-23.9605	O2L	9293	0	0	0	-0.65	
-9298	C2	SLES	1	18.7899	-25.9307	-24.7084	CC32A	9294	9299	9300	9301	-0.11	
-9299	H2A	SLES	1	18.2302	-26.6774	-24.0789	HCA2	9298	0	0	0	0.09	
-9300	H2B	SLES	1	19.6101	-25.4734	-24.0884	HCA2	9298	0	0	0	0.09	
-9301	C1	SLES	1	17.7871	-24.7859	-25.2081	CC32A	9298	9302	9303	9304	-0.01	
-9302	H1B	SLES	1	17.0252	-25.2224	-25.8942	HCA2	9301	0	0	0	0.09	
-9303	H1A	SLES	1	18.354	-23.9974	-25.7559	HCA2	9301	0	0	0	0.09	
-9304	O1	SLES	1	16.97	-24.0384	-24.2327	OC30A	9301	9305	0	0	-0.34	
-9305	C2	SLES	1	17.3994	-24.0912	-22.856	CC32A	9304	9306	9307	9308	-0.01	
-9306	H2A	SLES	1	17.3347	-25.1759	-22.6411	HCA2	9305	0	0	0	0.09	
-9307	H2B	SLES	1	18.4723	-23.8032	-22.9283	HCA2	9305	0	0	0	0.09	
-9308	C1	SLES	1	16.7184	-23.2909	-21.7014	CC32A	9305	9309	9310	9311	-0.01	
-9309	H1B	SLES	1	15.9153	-23.9067	-21.241	HCA2	9308	0	0	0	0.09	
-9310	H1A	SLES	1	17.4735	-23.0543	-20.9253	HCA2	9308	0	0	0	0.09	
-9311	O1	SLES	1	15.9879	-22.0401	-21.913	OC30A	9308	9312	0	0	-0.34	
-9312	C1	SLES	1	16.0123	-21.1036	-20.7745	CTL2	9311	9313	9314	9315	-0.18	
-9313	H11	SLES	1	16.4382	-21.649	-19.9129	HAL2	9312	0	0	0	0.09	
-9314	H12	SLES	1	16.7541	-20.3561	-21.1241	HAL2	9312	0	0	0	0.09	
-9315	C2	SLES	1	14.6824	-20.373	-20.3345	CTL2	9312	9316	9317	9318	-0.18	
-9316	H21	SLES	1	13.8434	-20.7262	-20.975	HAL2	9315	0	0	0	0.09	
-9317	H22	SLES	1	14.8001	-19.2792	-20.497	HAL2	9315	0	0	0	0.09	
-9318	C3	SLES	1	14.3143	-20.64	-18.7945	CTL2	9315	9319	9320	9321	-0.18	
-9319	H31	SLES	1	13.4847	-21.3799	-18.7443	HAL2	9318	0	0	0	0.09	
-9320	H32	SLES	1	15.1939	-21.0804	-18.2839	HAL2	9318	0	0	0	0.09	
-9321	C4	SLES	1	13.8777	-19.3252	-18.0245	CTL2	9318	9322	9323	9324	-0.18	
-9322	H41	SLES	1	12.7719	-19.3147	-17.9292	HAL2	9321	0	0	0	0.09	
-9323	H42	SLES	1	14.1784	-18.4365	-18.6203	HAL2	9321	0	0	0	0.09	
-9324	C5	SLES	1	14.5282	-19.2193	-16.5718	CTL2	9321	9325	9326	9327	-0.18	
-9325	H51	SLES	1	14.8889	-20.2247	-16.2613	HAL2	9324	0	0	0	0.09	
-9326	H52	SLES	1	15.409	-18.5388	-16.6175	HAL2	9324	0	0	0	0.09	
-9327	C6	SLES	1	13.5213	-18.6814	-15.4863	CTL2	9324	9328	9329	9330	-0.18	
-9328	H61	SLES	1	12.7706	-19.4727	-15.264	HAL2	9327	0	0	0	0.09	
-9329	H62	SLES	1	14.0823	-18.4672	-14.5467	HAL2	9327	0	0	0	0.09	
-9330	C7	SLES	1	12.7768	-17.386	-15.9401	CTL2	9327	9331	9332	9333	-0.18	
-9331	H71	SLES	1	11.9275	-17.6684	-16.6009	HAL2	9330	0	0	0	0.09	
-9332	H72	SLES	1	13.4757	-16.7526	-16.5307	HAL2	9330	0	0	0	0.09	
-9333	C8	SLES	1	12.2334	-16.561	-14.7471	CTL2	9330	9334	9335	9336	-0.18	
-9334	H81	SLES	1	11.7204	-17.2463	-14.0339	HAL2	9333	0	0	0	0.09	
-9335	H82	SLES	1	13.0881	-16.0862	-14.2136	HAL2	9333	0	0	0	0.09	
-9336	C9	SLES	1	11.24	-15.4589	-15.1933	CTL2	9333	9337	9338	9339	-0.18	
-9337	H91	SLES	1	10.4007	-15.9314	-15.7524	HAL2	9336	0	0	0	0.09	
-9338	H92	SLES	1	11.7615	-14.7585	-15.884	HAL2	9336	0	0	0	0.09	
-9339	C10	SLES	1	10.6642	-14.6575	-14.0019	CTL2	9336	9340	9341	9342	-0.18	
-9340	H10	SLES	1	10.1224	-15.3546	-13.3226	HAL2	9339	0	0	0	0.09	
-9341	H10	SLES	1	11.5043	-14.203	-13.4294	HAL2	9339	0	0	0	0.09	
-9342	C11	SLES	1	9.69351	-13.5347	-14.4546	CTL2	9339	9343	9344	9345	-0.18	
-9343	H11	SLES	1	8.85164	-13.9951	-15.0207	HAL2	9342	0	0	0	0.09	
-9344	H11	SLES	1	10.2346	-12.8506	-15.1476	HAL2	9342	0	0	0	0.09	
-9345	C12	SLES	1	9.11163	-12.7017	-13.2833	CTL3	9342	9346	9347	9348	-0.27	
-9346	H12	SLES	1	8.00146	-12.7709	-13.2739	HAL3	9345	0	0	0	0.09	
-9347	H12	SLES	1	9.3992	-11.6324	-13.3893	HAL3	9345	0	0	0	0.09	
-9348	H12	SLES	1	9.49829	-13.0779	-12.3112	HAL3	9345	0	0	0	0.09	
-9349	NA	SLES	1	26.569	-20.5227	-28.7226	NA	0	0	0	0	1	
-9350	S	SLES	1	28.1134	-19.9621	-25.4591	SL	9351	9352	9353	9354	1.33	
-9351	OS1	SLES	1	26.5846	-19.4266	-25.8875	OSL	9350	9355	0	0	-0.28	
-9352	OS2	SLES	1	28.1066	-21.3996	-25.6346	O2L	9350	0	0	0	-0.65	
-9353	OS3	SLES	1	29.0311	-19.3556	-26.4007	O2L	9350	0	0	0	-0.65	
-9354	OS4	SLES	1	28.5089	-19.6309	-24.0995	O2L	9350	0	0	0	-0.65	
-9355	C2	SLES	1	25.8736	-18.887	-24.6943	CC32A	9351	9356	9357	9358	-0.11	
-9356	H2A	SLES	1	25.8384	-19.655	-23.8721	HCA2	9355	0	0	0	0.09	
-9357	H2B	SLES	1	26.4318	-17.9826	-24.3246	HCA2	9355	0	0	0	0.09	
-9358	C1	SLES	1	24.3833	-18.4708	-25.1089	CC32A	9355	9359	9360	9361	-0.01	
-9359	H1B	SLES	1	23.8567	-19.3444	-25.5575	HCA2	9358	0	0	0	0.09	
-9360	H1A	SLES	1	24.4142	-17.6461	-25.8586	HCA2	9358	0	0	0	0.09	
-9361	O1	SLES	1	23.4332	-17.9979	-24.0835	OC30A	9358	9362	0	0	-0.34	
-9362	C2	SLES	1	24.0009	-17.5526	-22.8337	CC32A	9361	9363	9364	9365	-0.01	
-9363	H2A	SLES	1	24.5068	-18.4708	-22.4762	HCA2	9362	0	0	0	0.09	
-9364	H2B	SLES	1	24.7737	-16.8241	-23.1676	HCA2	9362	0	0	0	0.09	
-9365	C1	SLES	1	23.1644	-16.9332	-21.6702	CC32A	9362	9366	9367	9368	-0.01	
-9366	H1B	SLES	1	22.834	-17.7369	-20.9766	HCA2	9365	0	0	0	0.09	
-9367	H1A	SLES	1	23.7949	-16.2158	-21.1078	HCA2	9365	0	0	0	0.09	
-9368	O1	SLES	1	21.8924	-16.2388	-21.8766	OC30A	9365	9369	0	0	-0.34	
-9369	C1	SLES	1	21.594	-15.1795	-20.8953	CTL2	9368	9370	9371	9372	-0.18	
-9370	H11	SLES	1	22.3373	-15.2695	-20.0825	HAL2	9369	0	0	0	0.09	
-9371	H12	SLES	1	21.8205	-14.2673	-21.4851	HAL2	9369	0	0	0	0.09	
-9372	C2	SLES	1	20.1437	-15.0717	-20.278	CTL2	9369	9373	9374	9375	-0.18	
-9373	H21	SLES	1	19.5154	-15.8995	-20.6765	HAL2	9372	0	0	0	0.09	
-9374	H22	SLES	1	19.6856	-14.11	-20.5971	HAL2	9372	0	0	0	0.09	
-9375	C3	SLES	1	20.151	-15.1449	-18.6739	CTL2	9372	9376	9377	9378	-0.18	
-9376	H31	SLES	1	19.8076	-16.1547	-18.3567	HAL2	9375	0	0	0	0.09	
-9377	H32	SLES	1	21.1892	-15.0092	-18.3107	HAL2	9375	0	0	0	0.09	
-9378	C4	SLES	1	19.2231	-14.0511	-17.9994	CTL2	9375	9379	9380	9381	-0.18	
-9379	H41	SLES	1	18.2776	-14.533	-17.6736	HAL2	9378	0	0	0	0.09	
-9380	H42	SLES	1	18.9694	-13.2735	-18.7517	HAL2	9378	0	0	0	0.09	
-9381	C5	SLES	1	19.9125	-13.351	-16.7427	CTL2	9378	9382	9383	9384	-0.18	
-9382	H51	SLES	1	20.7575	-13.9841	-16.3926	HAL2	9381	0	0	0	0.09	
-9383	H52	SLES	1	20.3297	-12.3678	-17.059	HAL2	9381	0	0	0	0.09	
-9384	C6	SLES	1	18.9161	-13.1228	-15.5441	CTL2	9381	9385	9386	9387	-0.18	
-9385	H61	SLES	1	18.6875	-14.1039	-15.0705	HAL2	9384	0	0	0	0.09	
-9386	H62	SLES	1	19.4109	-12.4797	-14.7793	HAL2	9384	0	0	0	0.09	
-9387	C7	SLES	1	17.5797	-12.4479	-15.9879	CTL2	9384	9388	9389	9390	-0.18	
-9388	H71	SLES	1	16.905	-13.2238	-16.4128	HAL2	9387	0	0	0	0.09	
-9389	H72	SLES	1	17.7954	-11.7049	-16.7877	HAL2	9387	0	0	0	0.09	
-9390	C8	SLES	1	16.8542	-11.7355	-14.8193	CTL2	9387	9391	9392	9393	-0.18	
-9391	H81	SLES	1	16.8394	-12.4113	-13.9337	HAL2	9390	0	0	0	0.09	
-9392	H82	SLES	1	17.4228	-10.8184	-14.543	HAL2	9390	0	0	0	0.09	
-9393	C9	SLES	1	15.3999	-11.3404	-15.1788	CTL2	9390	9394	9395	9396	-0.18	
-9394	H91	SLES	1	14.8402	-12.2538	-15.4834	HAL2	9393	0	0	0	0.09	
-9395	H92	SLES	1	15.4172	-10.6429	-16.0464	HAL2	9393	0	0	0	0.09	
-9396	C10	SLES	1	14.6579	-10.6636	-14.002	CTL2	9393	9397	9398	9399	-0.18	
-9397	H10	SLES	1	14.6199	-11.37	-13.1416	HAL2	9396	0	0	0	0.09	
-9398	H10	SLES	1	15.2287	-9.76245	-13.6823	HAL2	9396	0	0	0	0.09	
-9399	C11	SLES	1	13.212	-10.2415	-14.3751	CTL2	9396	9400	9401	9402	-0.18	
-9400	H11	SLES	1	12.6433	-11.1471	-14.6875	HAL2	9399	0	0	0	0.09	
-9401	H11	SLES	1	13.2541	-9.54952	-15.247	HAL2	9399	0	0	0	0.09	
-9402	C12	SLES	1	12.4467	-9.54459	-13.2205	CTL3	9399	9403	9404	9405	-0.27	
-9403	H12	SLES	1	11.5261	-10.1153	-12.9671	HAL3	9402	0	0	0	0.09	
-9404	H12	SLES	1	12.1539	-8.51347	-13.5178	HAL3	9402	0	0	0	0.09	
-9405	H12	SLES	1	13.0866	-9.48352	-12.3133	HAL3	9402	0	0	0	0.09	
-9406	NA	SLES	1	31.6435	-12.0343	-28.3892	NA	0	0	0	0	1	
-9407	S	SLES	1	32.8864	-10.0536	-25.5817	SL	9408	9409	9410	9411	1.33	
-9408	OS1	SLES	1	31.271	-10.4114	-25.8461	OSL	9407	9412	0	0	-0.28	
-9409	OS2	SLES	1	33.5756	-11.3237	-25.4855	O2L	9407	0	0	0	-0.65	
-9410	OS3	SLES	1	33.3375	-9.33644	-26.7559	O2L	9407	0	0	0	-0.65	
-9411	OS4	SLES	1	33.1407	-9.26056	-24.3897	O2L	9407	0	0	0	-0.65	
-9412	C2	SLES	1	30.4515	-9.99551	-24.6732	CC32A	9408	9413	9414	9415	-0.11	
-9413	H2A	SLES	1	30.841	-10.4684	-23.7289	HCA2	9412	0	0	0	0.09	
-9414	H2B	SLES	1	30.5137	-8.87645	-24.5728	HCA2	9412	0	0	0	0.09	
-9415	C1	SLES	1	28.9288	-10.4337	-24.9085	CC32A	9412	9416	9417	9418	-0.01	
-9416	H1B	SLES	1	28.8748	-11.5308	-25.0963	HCA2	9415	0	0	0	0.09	
-9417	H1A	SLES	1	28.5117	-9.89698	-25.7923	HCA2	9415	0	0	0	0.09	
-9418	O1	SLES	1	27.925	-10.2261	-23.8469	OC30A	9415	9419	0	0	-0.34	
-9419	C2	SLES	1	28.2674	-9.28219	-22.8104	CC32A	9418	9420	9421	9422	-0.01	
-9420	H2A	SLES	1	29.1766	-9.74321	-22.3771	HCA2	9419	0	0	0	0.09	
-9421	H2B	SLES	1	28.565	-8.38238	-23.3944	HCA2	9419	0	0	0	0.09	
-9422	C1	SLES	1	27.298	-8.86379	-21.6604	CC32A	9419	9423	9424	9425	-0.01	
-9423	H1B	SLES	1	27.4413	-9.53531	-20.786	HCA2	9422	0	0	0	0.09	
-9424	H1A	SLES	1	27.525	-7.82404	-21.3506	HCA2	9422	0	0	0	0.09	
-9425	O1	SLES	1	25.84	-8.91338	-21.7809	OC30A	9422	9426	0	0	-0.34	
-9426	C1	SLES	1	25.1136	-7.91369	-20.9766	CTL2	9425	9427	9428	9429	-0.18	
-9427	H11	SLES	1	25.8476	-7.4492	-20.2935	HAL2	9426	0	0	0	0.09	
-9428	H12	SLES	1	24.8322	-7.17299	-21.7534	HAL2	9426	0	0	0	0.09	
-9429	C2	SLES	1	23.8318	-8.34795	-20.1614	CTL2	9426	9430	9431	9432	-0.18	
-9430	H21	SLES	1	23.6695	-9.44125	-20.2924	HAL2	9429	0	0	0	0.09	
-9431	H22	SLES	1	22.9449	-7.81841	-20.5733	HAL2	9429	0	0	0	0.09	
-9432	C3	SLES	1	23.9594	-8.02119	-18.5944	CTL2	9429	9433	9434	9435	-0.18	
-9433	H31	SLES	1	24.1724	-8.96497	-18.0447	HAL2	9432	0	0	0	0.09	
-9434	H32	SLES	1	24.8156	-7.33542	-18.4369	HAL2	9432	0	0	0	0.09	
-9435	C4	SLES	1	22.652	-7.35873	-17.9909	CTL2	9432	9436	9437	9438	-0.18	
-9436	H41	SLES	1	22.0829	-8.13062	-17.432	HAL2	9435	0	0	0	0.09	
-9437	H42	SLES	1	22.0102	-6.99506	-18.8221	HAL2	9435	0	0	0	0.09	
-9438	C5	SLES	1	22.9757	-6.1394	-17.0146	CTL2	9435	9439	9440	9441	-0.18	
-9439	H51	SLES	1	24.0399	-6.20159	-16.6964	HAL2	9438	0	0	0	0.09	
-9440	H52	SLES	1	22.8401	-5.18369	-17.5706	HAL2	9438	0	0	0	0.09	
-9441	C6	SLES	1	22.0608	-6.12022	-15.7324	CTL2	9438	9442	9443	9444	-0.18	
-9442	H61	SLES	1	22.3679	-6.94851	-15.0551	HAL2	9441	0	0	0	0.09	
-9443	H62	SLES	1	22.217	-5.15823	-15.1905	HAL2	9441	0	0	0	0.09	
-9444	C7	SLES	1	20.5437	-6.27343	-16.0689	CTL2	9441	9445	9446	9447	-0.18	
-9445	H71	SLES	1	20.3143	-7.35045	-16.2274	HAL2	9444	0	0	0	0.09	
-9446	H72	SLES	1	20.3246	-5.73241	-17.0163	HAL2	9444	0	0	0	0.09	
-9447	C8	SLES	1	19.6256	-5.72291	-14.9493	CTL2	9444	9448	9449	9450	-0.18	
-9448	H81	SLES	1	19.9911	-6.0926	-13.9638	HAL2	9447	0	0	0	0.09	
-9449	H82	SLES	1	19.6857	-4.61072	-14.9434	HAL2	9447	0	0	0	0.09	
-9450	C9	SLES	1	18.1475	-6.14913	-15.1331	CTL2	9447	9451	9452	9453	-0.18	
-9451	H91	SLES	1	18.0919	-7.26089	-15.1686	HAL2	9450	0	0	0	0.09	
-9452	H92	SLES	1	17.7746	-5.75547	-16.1055	HAL2	9450	0	0	0	0.09	
-9453	C10	SLES	1	17.2329	-5.63463	-13.9963	CTL2	9450	9454	9455	9456	-0.18	
-9454	H10	SLES	1	17.5919	-6.04725	-13.0259	HAL2	9453	0	0	0	0.09	
-9455	H10	SLES	1	17.3051	-4.52455	-13.9458	HAL2	9453	0	0	0	0.09	
-9456	C11	SLES	1	15.7482	-6.03729	-14.1998	CTL2	9453	9457	9458	9459	-0.18	
-9457	H11	SLES	1	15.6805	-7.14846	-14.2428	HAL2	9456	0	0	0	0.09	
-9458	H11	SLES	1	15.3993	-5.63782	-15.1794	HAL2	9456	0	0	0	0.09	
-9459	C12	SLES	1	14.8024	-5.5218	-13.0844	CTL3	9456	9460	9461	9462	-0.27	
-9460	H12	SLES	1	14.2945	-6.37525	-12.5833	HAL3	9459	0	0	0	0.09	
-9461	H12	SLES	1	14.0265	-4.85099	-13.515	HAL3	9459	0	0	0	0.09	
-9462	H12	SLES	1	15.3775	-4.95401	-12.3209	HAL3	9459	0	0	0	0.09	
-9463	NA	SLES	1	25.7976	-2.18434	-35.8022	NA	0	0	0	0	1	
-9464	S	SLES	1	26.4189	0.768073	-33.7412	SL	9465	9466	9467	9468	1.33	
-9465	OS1	SLES	1	25.221	-0.363386	-33.4375	OSL	9464	9469	0	0	-0.28	
-9466	OS2	SLES	1	27.6722	0.0424865	-33.7536	O2L	9464	0	0	0	-0.65	
-9467	OS3	SLES	1	26.1452	1.30044	-35.0596	O2L	9464	0	0	0	-0.65	
-9468	OS4	SLES	1	26.4835	1.85171	-32.7737	O2L	9464	0	0	0	-0.65	
-9469	C2	SLES	1	24.598	-0.111291	-32.1076	CC32A	9465	9470	9471	9472	-0.11	
-9470	H2A	SLES	1	25.3808	-0.0958529	-31.2989	HCA2	9469	0	0	0	0.09	
-9471	H2B	SLES	1	24.0852	0.889903	-32.1374	HCA2	9469	0	0	0	0.09	
-9472	C1	SLES	1	23.5249	-1.25975	-31.7989	CC32A	9469	9473	9474	9475	-0.01	
-9473	H1B	SLES	1	24.013	-2.2599	-31.856	HCA2	9472	0	0	0	0.09	
-9474	H1A	SLES	1	22.6997	-1.2194	-32.5476	HCA2	9472	0	0	0	0.09	
-9475	O1	SLES	1	22.8345	-1.29844	-30.4951	OC30A	9472	9476	0	0	-0.34	
-9476	C2	SLES	1	22.8569	-0.0835074	-29.7166	CC32A	9475	9477	9478	9479	-0.01	
-9477	H2A	SLES	1	23.9433	0.0623772	-29.5576	HCA2	9476	0	0	0	0.09	
-9478	H2B	SLES	1	22.4961	0.675615	-30.4466	HCA2	9476	0	0	0	0.09	
-9479	C1	SLES	1	22.1044	0.0942148	-28.3603	CC32A	9476	9480	9481	9482	-0.01	
-9480	H1B	SLES	1	22.7734	-0.192016	-27.5198	HCA2	9479	0	0	0	0.09	
-9481	H1A	SLES	1	21.8161	1.15752	-28.2384	HCA2	9479	0	0	0	0.09	
-9482	O1	SLES	1	20.9067	-0.666656	-28.0005	OC30A	9479	9483	0	0	-0.34	
-9483	C1	SLES	1	19.97	0.0332149	-27.1023	CTL2	9482	9484	9485	9486	-0.18	
-9484	H11	SLES	1	20.4844	0.940877	-26.738	HAL2	9483	0	0	0	0.09	
-9485	H12	SLES	1	19.1736	0.336632	-27.8129	HAL2	9483	0	0	0	0.09	
-9486	C2	SLES	1	19.332	-0.740536	-25.8814	CTL2	9483	9487	9488	9489	-0.18	
-9487	H21	SLES	1	19.7422	-1.77472	-25.8507	HAL2	9486	0	0	0	0.09	
-9488	H22	SLES	1	18.2328	-0.812638	-26.0339	HAL2	9486	0	0	0	0.09	
-9489	C3	SLES	1	19.6226	-0.0194775	-24.4764	CTL2	9486	9490	9491	9492	-0.18	
-9490	H31	SLES	1	20.4176	-0.582784	-23.9389	HAL2	9489	0	0	0	0.09	
-9491	H32	SLES	1	20.0014	1.00439	-24.6673	HAL2	9489	0	0	0	0.09	
-9492	C4	SLES	1	18.3403	0.0710401	-23.5492	CTL2	9489	9493	9494	9495	-0.18	
-9493	H41	SLES	1	18.4055	-0.714336	-22.7675	HAL2	9492	0	0	0	0.09	
-9494	H42	SLES	1	17.4335	-0.128388	-24.16	HAL2	9492	0	0	0	0.09	
-9495	C5	SLES	1	18.1891	1.49546	-22.8471	CTL2	9492	9496	9497	9498	-0.18	
-9496	H51	SLES	1	19.1673	2.02394	-22.8837	HAL2	9495	0	0	0	0.09	
-9497	H52	SLES	1	17.45	2.10392	-23.4167	HAL2	9495	0	0	0	0.09	
-9498	C6	SLES	1	17.7208	1.39347	-21.3466	CTL2	9495	9499	9500	9501	-0.18	
-9499	H61	SLES	1	18.5615	1.00367	-20.7298	HAL2	9498	0	0	0	0.09	
-9500	H62	SLES	1	17.4681	2.41437	-20.976	HAL2	9498	0	0	0	0.09	
-9501	C7	SLES	1	16.4798	0.464015	-21.1615	CTL2	9498	9502	9503	9504	-0.18	
-9502	H71	SLES	1	16.8201	-0.594905	-21.1366	HAL2	9501	0	0	0	0.09	
-9503	H72	SLES	1	15.8003	0.586053	-22.0343	HAL2	9501	0	0	0	0.09	
-9504	C8	SLES	1	15.6932	0.770338	-19.8627	CTL2	9501	9505	9506	9507	-0.18	
-9505	H81	SLES	1	16.4116	0.871867	-19.0172	HAL2	9504	0	0	0	0.09	
-9506	H82	SLES	1	15.1606	1.74153	-19.9803	HAL2	9504	0	0	0	0.09	
-9507	C9	SLES	1	14.6621	-0.334343	-19.5209	CTL2	9504	9508	9509	9510	-0.18	
-9508	H91	SLES	1	15.1913	-1.31029	-19.4327	HAL2	9507	0	0	0	0.09	
-9509	H92	SLES	1	13.928	-0.415843	-20.354	HAL2	9507	0	0	0	0.09	
-9510	C10	SLES	1	13.9012	-0.0525604	-18.2037	CTL2	9507	9511	9512	9513	-0.18	
-9511	H10	SLES	1	14.6333	0.00582877	-17.3662	HAL2	9510	0	0	0	0.09	
-9512	H10	SLES	1	13.3898	0.933459	-18.2829	HAL2	9510	0	0	0	0.09	
-9513	C11	SLES	1	12.8479	-1.14523	-17.8804	CTL2	9510	9514	9515	9516	-0.18	
-9514	H11	SLES	1	13.3652	-2.12824	-17.7955	HAL2	9513	0	0	0	0.09	
-9515	H11	SLES	1	12.1288	-1.21228	-18.7286	HAL2	9513	0	0	0	0.09	
-9516	C12	SLES	1	12.0559	-0.88269	-16.5734	CTL3	9513	9517	9518	9519	-0.27	
-9517	H12	SLES	1	12.201	-1.72229	-15.8583	HAL3	9516	0	0	0	0.09	
-9518	H12	SLES	1	10.9695	-0.787318	-16.7923	HAL3	9516	0	0	0	0.09	
-9519	H12	SLES	1	12.4042	0.0569904	-16.0919	HAL3	9516	0	0	0	0.09	
-9520	NA	SLES	1	25.3258	8.50003	-35.1914	NA	0	0	0	0	1	
-9521	S	SLES	1	23.5274	11.4298	-33.9534	SL	9522	9523	9524	9525	1.33	
-9522	OS1	SLES	1	23.3616	9.88368	-33.3293	OSL	9521	9526	0	0	-0.28	
-9523	OS2	SLES	1	24.9308	11.7684	-33.8381	O2L	9521	0	0	0	-0.65	
-9524	OS3	SLES	1	23.1553	11.3425	-35.35	O2L	9521	0	0	0	-0.65	
-9525	OS4	SLES	1	22.7183	12.4382	-33.2879	O2L	9521	0	0	0	-0.65	
-9526	C2	SLES	1	22.5526	9.91597	-32.0784	CC32A	9522	9527	9528	9529	-0.11	
-9527	H2A	SLES	1	23.0035	10.6279	-31.3321	HCA2	9526	0	0	0	0.09	
-9528	H2B	SLES	1	21.5139	10.2655	-32.3338	HCA2	9526	0	0	0	0.09	
-9529	C1	SLES	1	22.4889	8.44379	-31.4504	CC32A	9526	9530	9531	9532	-0.01	
-9530	H1B	SLES	1	23.5208	8.06002	-31.2784	HCA2	9529	0	0	0	0.09	
-9531	H1A	SLES	1	21.9614	7.7549	-32.1507	HCA2	9529	0	0	0	0.09	
-9532	O1	SLES	1	21.8279	8.22032	-30.15	OC30A	9529	9533	0	0	-0.34	
-9533	C2	SLES	1	20.9266	9.25285	-29.6982	CC32A	9532	9534	9535	9536	-0.01	
-9534	H2A	SLES	1	21.6032	10.1268	-29.6258	HCA2	9533	0	0	0	0.09	
-9535	H2B	SLES	1	20.2578	9.3889	-30.5777	HCA2	9533	0	0	0	0.09	
-9536	C1	SLES	1	20.0686	9.15037	-28.398	CC32A	9533	9537	9538	9539	-0.01	
-9537	H1B	SLES	1	20.6327	9.57947	-27.5415	HCA2	9536	0	0	0	0.09	
-9538	H1A	SLES	1	19.1319	9.72785	-28.5312	HCA2	9536	0	0	0	0.09	
-9539	O1	SLES	1	19.6482	7.87685	-27.8112	OC30A	9536	9540	0	0	-0.34	
-9540	C1	SLES	1	18.3709	7.92061	-27.076	CTL2	9539	9541	9542	9543	-0.18	
-9541	H11	SLES	1	18.0924	8.98469	-26.9696	HAL2	9540	0	0	0	0.09	
-9542	H12	SLES	1	17.684	7.44428	-27.8057	HAL2	9540	0	0	0	0.09	
-9543	C2	SLES	1	18.2496	7.19834	-25.676	CTL2	9540	9544	9545	9546	-0.18	
-9544	H21	SLES	1	19.235	6.75615	-25.4074	HAL2	9543	0	0	0	0.09	
-9545	H22	SLES	1	17.5135	6.36898	-25.7599	HAL2	9543	0	0	0	0.09	
-9546	C3	SLES	1	17.7869	8.19689	-24.5067	CTL2	9543	9547	9548	9549	-0.18	
-9547	H31	SLES	1	18.67	8.45328	-23.8801	HAL2	9546	0	0	0	0.09	
-9548	H32	SLES	1	17.4086	9.13441	-24.9608	HAL2	9546	0	0	0	0.09	
-9549	C4	SLES	1	16.6584	7.58333	-23.5781	CTL2	9546	9550	9551	9552	-0.18	
-9550	H41	SLES	1	17.121	7.23884	-22.6297	HAL2	9549	0	0	0	0.09	
-9551	H42	SLES	1	16.2118	6.69924	-24.0821	HAL2	9549	0	0	0	0.09	
-9552	C5	SLES	1	15.501	8.62935	-23.2449	CTL2	9549	9553	9554	9555	-0.18	
-9553	H51	SLES	1	15.8705	9.65795	-23.452	HAL2	9552	0	0	0	0.09	
-9554	H52	SLES	1	14.6332	8.43597	-23.916	HAL2	9552	0	0	0	0.09	
-9555	C6	SLES	1	15.0176	8.55341	-21.7476	CTL2	9552	9556	9557	9558	-0.18	
-9556	H61	SLES	1	15.8075	8.97944	-21.0892	HAL2	9555	0	0	0	0.09	
-9557	H62	SLES	1	14.1007	9.17727	-21.6311	HAL2	9555	0	0	0	0.09	
-9558	C7	SLES	1	14.7021	7.09527	-21.2865	CTL2	9555	9559	9560	9561	-0.18	
-9559	H71	SLES	1	15.6535	6.58694	-21.0144	HAL2	9558	0	0	0	0.09	
-9560	H72	SLES	1	14.2442	6.53688	-22.1332	HAL2	9558	0	0	0	0.09	
-9561	C8	SLES	1	13.7413	7.04801	-20.0723	CTL2	9558	9562	9563	9564	-0.18	
-9562	H81	SLES	1	14.0826	7.78442	-19.309	HAL2	9561	0	0	0	0.09	
-9563	H82	SLES	1	12.7204	7.34467	-20.4044	HAL2	9561	0	0	0	0.09	
-9564	C9	SLES	1	13.6746	5.64206	-19.4249	CTL2	9561	9565	9566	9567	-0.18	
-9565	H91	SLES	1	14.7004	5.33368	-19.1199	HAL2	9564	0	0	0	0.09	
-9566	H92	SLES	1	13.3068	4.91174	-20.1805	HAL2	9564	0	0	0	0.09	
-9567	C10	SLES	1	12.7465	5.59892	-18.1879	CTL2	9564	9568	9569	9570	-0.18	
-9568	H10	SLES	1	13.1277	6.31259	-17.4222	HAL2	9567	0	0	0	0.09	
-9569	H10	SLES	1	11.7259	5.92839	-18.4873	HAL2	9567	0	0	0	0.09	
-9570	C11	SLES	1	12.6581	4.18241	-17.5605	CTL2	9567	9571	9572	9573	-0.18	
-9571	H11	SLES	1	13.6803	3.86028	-17.2564	HAL2	9570	0	0	0	0.09	
-9572	H11	SLES	1	12.2937	3.46926	-18.3348	HAL2	9570	0	0	0	0.09	
-9573	C12	SLES	1	11.7215	4.10247	-16.3272	CTL3	9570	9574	9575	9576	-0.27	
-9574	H12	SLES	1	12.288	3.76016	-15.4332	HAL3	9573	0	0	0	0.09	
-9575	H12	SLES	1	10.8924	3.38564	-16.5173	HAL3	9573	0	0	0	0.09	
-9576	H12	SLES	1	11.2836	5.10069	-16.1083	HAL3	9573	0	0	0	0.09	
-9577	NA	SLES	1	20.1768	18.749	-34.5464	NA	0	0	0	0	1	
-9578	S	SLES	1	16.6876	19.7671	-34.1731	SL	9579	9580	9581	9582	1.33	
-9579	OS1	SLES	1	17.4523	18.6347	-33.2034	OSL	9578	9583	0	0	-0.28	
-9580	OS2	SLES	1	17.455	20.9897	-34.056	O2L	9578	0	0	0	-0.65	
-9581	OS3	SLES	1	16.772	19.2607	-35.527	O2L	9578	0	0	0	-0.65	
-9582	OS4	SLES	1	15.2985	20.019	-33.8248	O2L	9578	0	0	0	-0.65	
-9583	C2	SLES	1	16.5811	18.2694	-32.051	CC32A	9579	9584	9585	9586	-0.11	
-9584	H2A	SLES	1	16.2807	19.1878	-31.4735	HCA2	9583	0	0	0	0.09	
-9585	H2B	SLES	1	15.6544	17.7695	-32.4482	HCA2	9583	0	0	0	0.09	
-9586	C1	SLES	1	17.3701	17.2605	-31.0891	CC32A	9583	9587	9588	9589	-0.01	
-9587	H1B	SLES	1	18.332	17.7201	-30.7647	HCA2	9586	0	0	0	0.09	
-9588	H1A	SLES	1	17.5902	16.3121	-31.6324	HCA2	9586	0	0	0	0.09	
-9589	O1	SLES	1	16.7636	16.8214	-29.8174	OC30A	9586	9590	0	0	-0.34	
-9590	C2	SLES	1	15.3372	16.9982	-29.6875	CC32A	9589	9591	9592	9593	-0.01	
-9591	H2A	SLES	1	15.2362	18.0967	-29.7876	HCA2	9590	0	0	0	0.09	
-9592	H2B	SLES	1	14.9507	16.5166	-30.6138	HCA2	9590	0	0	0	0.09	
-9593	C1	SLES	1	14.5088	16.5098	-28.4577	CC32A	9590	9594	9595	9596	-0.01	
-9594	H1B	SLES	1	14.4529	17.3193	-27.6977	HCA2	9593	0	0	0	0.09	
-9595	H1A	SLES	1	13.4801	16.2591	-28.7857	HCA2	9593	0	0	0	0.09	
-9596	O1	SLES	1	14.9181	15.3916	-27.6064	OC30A	9593	9597	0	0	-0.34	
-9597	C1	SLES	1	13.8101	14.6428	-26.9852	CTL2	9596	9598	9599	9600	-0.18	
-9598	H11	SLES	1	12.8864	15.2242	-27.1585	HAL2	9597	0	0	0	0.09	
-9599	H12	SLES	1	13.7814	13.7323	-27.6187	HAL2	9597	0	0	0	0.09	
-9600	C2	SLES	1	13.9007	14.2329	-25.4621	CTL2	9597	9601	9602	9603	-0.18	
-9601	H21	SLES	1	14.8469	14.6318	-25.0329	HAL2	9600	0	0	0	0.09	
-9602	H22	SLES	1	13.9318	13.1238	-25.3876	HAL2	9600	0	0	0	0.09	
-9603	C3	SLES	1	12.6617	14.7839	-24.602	CTL2	9600	9604	9605	9606	-0.18	
-9604	H31	SLES	1	12.9987	15.6588	-24.0026	HAL2	9603	0	0	0	0.09	
-9605	H32	SLES	1	11.8679	15.1309	-25.2932	HAL2	9603	0	0	0	0.09	
-9606	C4	SLES	1	12.0526	13.695	-23.6246	CTL2	9603	9607	9608	9609	-0.18	
-9607	H41	SLES	1	12.4125	13.8954	-22.5938	HAL2	9606	0	0	0	0.09	
-9608	H42	SLES	1	12.418	12.6894	-23.9253	HAL2	9606	0	0	0	0.09	
-9609	C5	SLES	1	10.4574	13.6892	-23.6288	CTL2	9606	9610	9611	9612	-0.18	
-9610	H51	SLES	1	10.0919	14.649	-24.0563	HAL2	9609	0	0	0	0.09	
-9611	H52	SLES	1	10.0994	12.8638	-24.2857	HAL2	9609	0	0	0	0.09	
-9612	C6	SLES	1	9.84047	13.504	-22.1913	CTL2	9609	9613	9614	9615	-0.18	
-9613	H61	SLES	1	9.99183	14.44	-21.6081	HAL2	9612	0	0	0	0.09	
-9614	H62	SLES	1	8.74268	13.3336	-22.2876	HAL2	9612	0	0	0	0.09	
-9615	C7	SLES	1	10.4736	12.3094	-21.4101	CTL2	9612	9616	9617	9618	-0.18	
-9616	H71	SLES	1	11.4381	12.6383	-20.9636	HAL2	9615	0	0	0	0.09	
-9617	H72	SLES	1	10.6893	11.4821	-22.1225	HAL2	9615	0	0	0	0.09	
-9618	C8	SLES	1	9.55281	11.778	-20.2834	CTL2	9615	9619	9620	9621	-0.18	
-9619	H81	SLES	1	9.15343	12.6407	-19.7023	HAL2	9618	0	0	0	0.09	
-9620	H82	SLES	1	8.69005	11.2423	-20.7409	HAL2	9618	0	0	0	0.09	
-9621	C9	SLES	1	10.292	10.8169	-19.319	CTL2	9618	9622	9623	9624	-0.18	
-9622	H91	SLES	1	11.1717	11.3439	-18.8847	HAL2	9621	0	0	0	0.09	
-9623	H92	SLES	1	10.6665	9.94135	-19.8958	HAL2	9621	0	0	0	0.09	
-9624	C10	SLES	1	9.38727	10.3141	-18.1692	CTL2	9621	9625	9626	9627	-0.18	
-9625	H10	SLES	1	9.03118	11.1883	-17.5778	HAL2	9624	0	0	0	0.09	
-9626	H10	SLES	1	8.49621	9.80632	-18.6031	HAL2	9624	0	0	0	0.09	
-9627	C11	SLES	1	10.1219	9.32772	-17.223	CTL2	9624	9628	9629	9630	-0.18	
-9628	H11	SLES	1	11.0083	9.84237	-16.7863	HAL2	9627	0	0	0	0.09	
-9629	H11	SLES	1	10.4916	8.46425	-17.8218	HAL2	9627	0	0	0	0.09	
-9630	C12	SLES	1	9.23602	8.79229	-16.0684	CTL3	9627	9631	9632	9633	-0.27	
-9631	H12	SLES	1	9.68117	9.0584	-15.0843	HAL3	9630	0	0	0	0.09	
-9632	H12	SLES	1	9.1484	7.68509	-16.13	HAL3	9630	0	0	0	0.09	
-9633	H12	SLES	1	8.21658	9.23216	-16.1267	HAL3	9630	0	0	0	0.09	
-9634	NA	SLES	1	10.5497	26.196	-33.9787	NA	0	0	0	0	1	
-9635	S	SLES	1	7.3089	24.5527	-34.3622	SL	9636	9637	9638	9639	1.33	
-9636	OS1	SLES	1	8.35716	24.2914	-33.0814	OSL	9635	9640	0	0	-0.28	
-9637	OS2	SLES	1	7.0189	25.9716	-34.3696	O2L	9635	0	0	0	-0.65	
-9638	OS3	SLES	1	8.03883	24.1932	-35.5599	O2L	9635	0	0	0	-0.65	
-9639	OS4	SLES	1	6.0702	23.7943	-34.2914	O2L	9635	0	0	0	-0.65	
-9640	C2	SLES	1	7.69313	23.4703	-32.0301	CC32A	9636	9641	9642	9643	-0.11	
-9641	H2A	SLES	1	6.7312	23.952	-31.6987	HCA2	9640	0	0	0	0.09	
-9642	H2B	SLES	1	7.46338	22.4565	-32.4608	HCA2	9640	0	0	0	0.09	
-9643	C1	SLES	1	8.67924	23.3151	-30.7774	CC32A	9640	9644	9645	9646	-0.01	
-9644	H1B	SLES	1	8.9787	24.3214	-30.4038	HCA2	9643	0	0	0	0.09	
-9645	H1A	SLES	1	9.59551	22.7578	-31.0824	HCA2	9643	0	0	0	0.09	
-9646	O1	SLES	1	8.22213	22.6267	-29.5547	OC30A	9643	9647	0	0	-0.34	
-9647	C2	SLES	1	7.06073	21.7803	-29.6864	CC32A	9646	9648	9649	9650	-0.01	
-9648	H2A	SLES	1	6.29001	22.5047	-30.0152	HCA2	9647	0	0	0	0.09	
-9649	H2B	SLES	1	7.33379	21.1311	-30.5486	HCA2	9647	0	0	0	0.09	
-9650	C1	SLES	1	6.48897	20.9021	-28.5293	CC32A	9647	9651	9652	9653	-0.01	
-9651	H1B	SLES	1	5.72705	21.4793	-27.9615	HCA2	9650	0	0	0	0.09	
-9652	H1A	SLES	1	6.00539	20.0015	-28.958	HCA2	9650	0	0	0	0.09	
-9653	O1	SLES	1	7.30502	20.4027	-27.4213	OC30A	9650	9654	0	0	-0.34	
-9654	C1	SLES	1	6.85755	19.1211	-26.8457	CTL2	9653	9655	9656	9657	-0.18	
-9655	H11	SLES	1	5.8617	18.9024	-27.2719	HAL2	9654	0	0	0	0.09	
-9656	H12	SLES	1	7.59462	18.417	-27.2843	HAL2	9654	0	0	0	0.09	
-9657	C2	SLES	1	6.81369	18.9417	-25.2766	CTL2	9654	9658	9659	9660	-0.18	
-9658	H21	SLES	1	7.1159	19.897	-24.7919	HAL2	9657	0	0	0	0.09	
-9659	H22	SLES	1	7.54816	18.1606	-24.9815	HAL2	9657	0	0	0	0.09	
-9660	C3	SLES	1	5.35731	18.5225	-24.7459	CTL2	9657	9661	9662	9663	-0.18	
-9661	H31	SLES	1	4.87111	19.4111	-24.2851	HAL2	9660	0	0	0	0.09	
-9662	H32	SLES	1	4.73678	18.2039	-25.6071	HAL2	9660	0	0	0	0.09	
-9663	C4	SLES	1	5.39971	17.3497	-23.6806	CTL2	9660	9664	9665	9666	-0.18	
-9664	H41	SLES	1	5.26717	17.7803	-22.6661	HAL2	9663	0	0	0	0.09	
-9665	H42	SLES	1	6.39645	16.8596	-23.7169	HAL2	9663	0	0	0	0.09	
-9666	C5	SLES	1	4.27202	16.2498	-23.9325	CTL2	9663	9667	9668	9669	-0.18	
-9667	H51	SLES	1	3.48628	16.6799	-24.5921	HAL2	9666	0	0	0	0.09	
-9668	H52	SLES	1	4.72501	15.3806	-24.4618	HAL2	9666	0	0	0	0.09	
-9669	C6	SLES	1	3.59905	15.7446	-22.6009	CTL2	9666	9670	9671	9672	-0.18	
-9670	H61	SLES	1	2.94483	16.5495	-22.1969	HAL2	9669	0	0	0	0.09	
-9671	H62	SLES	1	2.95591	14.8635	-22.8319	HAL2	9669	0	0	0	0.09	
-9672	C7	SLES	1	4.6418	15.3409	-21.5109	CTL2	9669	9673	9674	9675	-0.18	
-9673	H71	SLES	1	4.99885	16.2585	-20.9929	HAL2	9672	0	0	0	0.09	
-9674	H72	SLES	1	5.51701	14.8622	-22.0041	HAL2	9672	0	0	0	0.09	
-9675	C8	SLES	1	4.05837	14.3643	-20.4595	CTL2	9672	9676	9677	9678	-0.18	
-9676	H81	SLES	1	3.06199	14.7377	-20.1291	HAL2	9675	0	0	0	0.09	
-9677	H82	SLES	1	3.91253	13.366	-20.9316	HAL2	9675	0	0	0	0.09	
-9678	C9	SLES	1	4.977	14.2096	-19.2216	CTL2	9675	9679	9680	9681	-0.18	
-9679	H91	SLES	1	5.14634	15.2124	-18.7675	HAL2	9678	0	0	0	0.09	
-9680	H92	SLES	1	5.96316	13.81	-19.5492	HAL2	9678	0	0	0	0.09	
-9681	C10	SLES	1	4.38045	13.2656	-18.1509	CTL2	9678	9682	9683	9684	-0.18	
-9682	H10	SLES	1	3.40465	13.6775	-17.806	HAL2	9681	0	0	0	0.09	
-9683	H10	SLES	1	4.19023	12.2691	-18.61	HAL2	9681	0	0	0	0.09	
-9684	C11	SLES	1	5.31698	13.0889	-16.9263	CTL2	9681	9685	9686	9687	-0.18	
-9685	H11	SLES	1	5.49863	14.0873	-16.4666	HAL2	9684	0	0	0	0.09	
-9686	H11	SLES	1	6.29724	12.6939	-17.2784	HAL2	9684	0	0	0	0.09	
-9687	C12	SLES	1	4.75411	12.1343	-15.8416	CTL3	9684	9688	9689	9690	-0.27	
-9688	H12	SLES	1	4.65034	12.6694	-14.872	HAL3	9687	0	0	0	0.09	
-9689	H12	SLES	1	5.43685	11.2681	-15.6971	HAL3	9687	0	0	0	0.09	
-9690	H12	SLES	1	3.75497	11.7514	-16.1437	HAL3	9687	0	0	0	0.09	
-9691	NA	SLES	1	-1.91165	28.6422	-33.5865	NA	0	0	0	0	1	
-9692	S	SLES	1	-2.99454	25.271	-34.488	SL	9693	9694	9695	9696	1.33	
-9693	OS1	SLES	1	-2.39322	25.7018	-32.9846	OSL	9692	9697	0	0	-0.28	
-9694	OS2	SLES	1	-4.14644	26.1163	-34.7247	O2L	9692	0	0	0	-0.65	
-9695	OS3	SLES	1	-1.95152	25.5815	-35.4431	O2L	9692	0	0	0	-0.65	
-9696	OS4	SLES	1	-3.37384	23.8722	-34.6071	O2L	9692	0	0	0	-0.65	
-9697	C2	SLES	1	-2.56413	24.5796	-32.0194	CC32A	9693	9698	9699	9700	-0.11	
-9698	H2A	SLES	1	-3.64235	24.2601	-31.9687	HCA2	9697	0	0	0	0.09	
-9699	H2B	SLES	1	-1.94245	23.7094	-32.3696	HCA2	9697	0	0	0	0.09	
-9700	C1	SLES	1	-2.07069	25.0481	-30.5693	CC32A	9697	9701	9702	9703	-0.01	
-9701	H1B	SLES	1	-2.62448	25.9636	-30.2579	HCA2	9700	0	0	0	0.09	
-9702	H1A	SLES	1	-0.9803	25.2794	-30.5958	HCA2	9700	0	0	0	0.09	
-9703	O1	SLES	1	-2.22651	24.1515	-29.4075	OC30A	9700	9704	0	0	-0.34	
-9704	C2	SLES	1	-2.44357	22.7541	-29.6951	CC32A	9703	9705	9706	9707	-0.01	
-9705	H2A	SLES	1	-3.39034	22.7865	-30.2691	HCA2	9704	0	0	0	0.09	
-9706	H2B	SLES	1	-1.6086	22.5206	-30.3935	HCA2	9704	0	0	0	0.09	
-9707	C1	SLES	1	-2.537	21.6452	-28.6002	CC32A	9704	9708	9709	9710	-0.01	
-9708	H1B	SLES	1	-3.5959	21.5152	-28.2874	HCA2	9707	0	0	0	0.09	
-9709	H1A	SLES	1	-2.16996	20.6864	-29.0182	HCA2	9707	0	0	0	0.09	
-9710	O1	SLES	1	-1.89753	21.7559	-27.2881	OC30A	9707	9711	0	0	-0.34	
-9711	C1	SLES	1	-1.49292	20.4743	-26.6816	CTL2	9710	9712	9713	9714	-0.18	
-9712	H11	SLES	1	-1.94277	19.6692	-27.2904	HAL2	9711	0	0	0	0.09	
-9713	H12	SLES	1	-0.397821	20.4858	-26.8602	HAL2	9711	0	0	0	0.09	
-9714	C2	SLES	1	-1.78316	20.2073	-25.1517	CTL2	9711	9715	9716	9717	-0.18	
-9715	H21	SLES	1	-2.32776	21.0798	-24.7263	HAL2	9714	0	0	0	0.09	
-9716	H22	SLES	1	-0.815807	20.1111	-24.6117	HAL2	9714	0	0	0	0.09	
-9717	C3	SLES	1	-2.65369	18.8792	-24.9134	CTL2	9714	9718	9719	9720	-0.18	
-9718	H31	SLES	1	-3.70154	19.1713	-24.6789	HAL2	9717	0	0	0	0.09	
-9719	H32	SLES	1	-2.66783	18.2839	-25.848	HAL2	9717	0	0	0	0.09	
-9720	C4	SLES	1	-2.09631	17.9757	-23.7364	CTL2	9717	9721	9722	9723	-0.18	
-9721	H41	SLES	1	-2.72309	18.1336	-22.834	HAL2	9720	0	0	0	0.09	
-9722	H42	SLES	1	-1.05938	18.2925	-23.4927	HAL2	9720	0	0	0	0.09	
-9723	C5	SLES	1	-2.09093	16.4232	-24.1035	CTL2	9720	9724	9725	9726	-0.18	
-9724	H51	SLES	1	-2.77114	16.2519	-24.9668	HAL2	9723	0	0	0	0.09	
-9725	H52	SLES	1	-1.06278	16.1275	-24.414	HAL2	9723	0	0	0	0.09	
-9726	C6	SLES	1	-2.5474	15.5078	-22.9056	CTL2	9723	9727	9728	9729	-0.18	
-9727	H61	SLES	1	-3.64348	15.6286	-22.7537	HAL2	9726	0	0	0	0.09	
-9728	H62	SLES	1	-2.3532	14.442	-23.1699	HAL2	9726	0	0	0	0.09	
-9729	C7	SLES	1	-1.80841	15.8432	-21.5715	CTL2	9726	9730	9731	9732	-0.18	
-9730	H71	SLES	1	-2.29732	16.7229	-21.0973	HAL2	9729	0	0	0	0.09	
-9731	H72	SLES	1	-0.753993	16.1171	-21.7985	HAL2	9729	0	0	0	0.09	
-9732	C8	SLES	1	-1.81858	14.6614	-20.5702	CTL2	9729	9733	9734	9735	-0.18	
-9733	H81	SLES	1	-2.84825	14.2393	-20.5155	HAL2	9732	0	0	0	0.09	
-9734	H82	SLES	1	-1.13844	13.8622	-20.9436	HAL2	9732	0	0	0	0.09	
-9735	C9	SLES	1	-1.36933	15.0857	-19.1495	CTL2	9732	9736	9737	9738	-0.18	
-9736	H91	SLES	1	-2.03162	15.9052	-18.7888	HAL2	9735	0	0	0	0.09	
-9737	H92	SLES	1	-0.329986	15.4814	-19.2006	HAL2	9735	0	0	0	0.09	
-9738	C10	SLES	1	-1.41521	13.9175	-18.1361	CTL2	9735	9739	9740	9741	-0.18	
-9739	H10	SLES	1	-2.45968	13.5366	-18.0674	HAL2	9738	0	0	0	0.09	
-9740	H10	SLES	1	-0.77053	13.0888	-18.5071	HAL2	9738	0	0	0	0.09	
-9741	C11	SLES	1	-0.935403	14.3386	-16.7218	CTL2	9738	9742	9743	9744	-0.18	
-9742	H11	SLES	1	-1.58749	15.1629	-16.3524	HAL2	9741	0	0	0	0.09	
-9743	H11	SLES	1	0.102658	14.7355	-16.7985	HAL2	9741	0	0	0	0.09	
-9744	C12	SLES	1	-0.953904	13.1846	-15.6862	CTL3	9741	9745	9746	9747	-0.27	
-9745	H12	SLES	1	-1.61961	13.4416	-14.8329	HAL3	9744	0	0	0	0.09	
-9746	H12	SLES	1	0.0705896	13.0011	-15.2937	HAL3	9744	0	0	0	0.09	
-9747	H12	SLES	1	-1.32615	12.2484	-16.1565	HAL3	9744	0	0	0	0.09	
-9748	NA	SLES	1	-14.3892	25.0392	-33.4376	NA	0	0	0	0	1	
-9749	S	SLES	1	-12.678	22.0009	-34.5289	SL	9750	9751	9752	9753	1.33	
-9750	OS1	SLES	1	-12.839	22.4743	-32.9297	OSL	9749	9754	0	0	-0.28	
-9751	OS2	SLES	1	-14.021	21.8924	-35.0598	O2L	9749	0	0	0	-0.65	
-9752	OS3	SLES	1	-11.9697	23.0727	-35.1968	O2L	9749	0	0	0	-0.65	
-9753	OS4	SLES	1	-11.968	20.746	-34.7173	O2L	9749	0	0	0	-0.65	
-9754	C2	SLES	1	-12.3806	21.3862	-32.0206	CC32A	9750	9755	9756	9757	-0.11	
-9755	H2A	SLES	1	-12.9326	20.4293	-32.2368	HCA2	9754	0	0	0	0.09	
-9756	H2B	SLES	1	-11.2809	21.2187	-32.1902	HCA2	9754	0	0	0	0.09	
-9757	C1	SLES	1	-12.6331	21.8241	-30.5007	CC32A	9754	9758	9759	9760	-0.01	
-9758	H1B	SLES	1	-13.7084	22.076	-30.3523	HCA2	9757	0	0	0	0.09	
-9759	H1A	SLES	1	-12.017	22.7208	-30.2566	HCA2	9757	0	0	0	0.09	
-9760	O1	SLES	1	-12.3561	20.8795	-29.4011	OC30A	9757	9761	0	0	-0.34	
-9761	C2	SLES	1	-11.5	19.7601	-29.7121	CC32A	9760	9762	9763	9764	-0.01	
-9762	H2A	SLES	1	-12.0785	19.2475	-30.5054	HCA2	9761	0	0	0	0.09	
-9763	H2B	SLES	1	-10.6168	20.2552	-30.1751	HCA2	9761	0	0	0	0.09	
-9764	C1	SLES	1	-11.0212	18.7125	-28.6583	CC32A	9761	9765	9766	9767	-0.01	
-9765	H1B	SLES	1	-11.7395	17.8649	-28.6188	HCA2	9764	0	0	0	0.09	
-9766	H1A	SLES	1	-10.0274	18.3221	-28.9559	HCA2	9764	0	0	0	0.09	
-9767	O1	SLES	1	-10.8999	19.0078	-27.2297	OC30A	9764	9768	0	0	-0.34	
-9768	C1	SLES	1	-9.85762	18.2425	-26.5212	CTL2	9767	9769	9770	9771	-0.18	
-9769	H11	SLES	1	-9.50761	17.453	-27.2106	HAL2	9768	0	0	0	0.09	
-9770	H12	SLES	1	-9.05884	19.006	-26.4198	HAL2	9768	0	0	0	0.09	
-9771	C2	SLES	1	-10.1762	17.6101	-25.1088	CTL2	9768	9772	9773	9774	-0.18	
-9772	H21	SLES	1	-11.2377	17.8184	-24.8472	HAL2	9771	0	0	0	0.09	
-9773	H22	SLES	1	-9.53305	18.0951	-24.3422	HAL2	9771	0	0	0	0.09	
-9774	C3	SLES	1	-9.92986	16.0237	-25.0755	CTL2	9771	9775	9776	9777	-0.18	
-9775	H31	SLES	1	-10.9133	15.5044	-25.1158	HAL2	9774	0	0	0	0.09	
-9776	H32	SLES	1	-9.35275	15.7287	-25.9745	HAL2	9774	0	0	0	0.09	
-9777	C4	SLES	1	-9.14821	15.5448	-23.7825	CTL2	9774	9778	9779	9780	-0.18	
-9778	H41	SLES	1	-9.8725	15.1	-23.0686	HAL2	9777	0	0	0	0.09	
-9779	H42	SLES	1	-8.68057	16.4254	-23.2917	HAL2	9777	0	0	0	0.09	
-9780	C5	SLES	1	-8.01417	14.4723	-24.1122	CTL2	9777	9781	9782	9783	-0.18	
-9781	H51	SLES	1	-8.20969	14.0339	-25.1157	HAL2	9780	0	0	0	0.09	
-9782	H52	SLES	1	-7.02748	14.988	-24.1504	HAL2	9780	0	0	0	0.09	
-9783	C6	SLES	1	-7.94322	13.3088	-23.0527	CTL2	9780	9784	9785	9786	-0.18	
-9784	H61	SLES	1	-8.82782	12.6456	-23.1823	HAL2	9783	0	0	0	0.09	
-9785	H62	SLES	1	-7.02798	12.7009	-23.2433	HAL2	9783	0	0	0	0.09	
-9786	C7	SLES	1	-7.90933	13.8308	-21.5815	CTL2	9783	9787	9788	9789	-0.18	
-9787	H71	SLES	1	-8.94599	14.0736	-21.2587	HAL2	9786	0	0	0	0.09	
-9788	H72	SLES	1	-7.30894	14.7669	-21.5412	HAL2	9786	0	0	0	0.09	
-9789	C8	SLES	1	-7.30395	12.8001	-20.5963	CTL2	9786	9790	9791	9792	-0.18	
-9790	H81	SLES	1	-7.75245	11.7997	-20.7947	HAL2	9789	0	0	0	0.09	
-9791	H82	SLES	1	-6.20695	12.727	-20.7747	HAL2	9789	0	0	0	0.09	
-9792	C9	SLES	1	-7.55171	13.181	-19.1151	CTL2	9789	9793	9794	9795	-0.18	
-9793	H91	SLES	1	-8.64759	13.2829	-18.9448	HAL2	9792	0	0	0	0.09	
-9794	H92	SLES	1	-7.07912	14.168	-18.9103	HAL2	9792	0	0	0	0.09	
-9795	C10	SLES	1	-6.9832	12.1347	-18.1275	CTL2	9792	9796	9797	9798	-0.18	
-9796	H10	SLES	1	-7.47295	11.1523	-18.3167	HAL2	9795	0	0	0	0.09	
-9797	H10	SLES	1	-5.89146	12.016	-18.312	HAL2	9795	0	0	0	0.09	
-9798	C11	SLES	1	-7.20601	12.5346	-16.6448	CTL2	9795	9799	9800	9801	-0.18	
-9799	H11	SLES	1	-8.29963	12.6453	-16.4635	HAL2	9798	0	0	0	0.09	
-9800	H11	SLES	1	-6.73008	13.5256	-16.4651	HAL2	9798	0	0	0	0.09	
-9801	C12	SLES	1	-6.6321	11.5131	-15.629	CTL3	9798	9802	9803	9804	-0.27	
-9802	H12	SLES	1	-7.44195	11.1228	-14.9739	HAL3	9801	0	0	0	0.09	
-9803	H12	SLES	1	-5.86058	11.9959	-14.9894	HAL3	9801	0	0	0	0.09	
-9804	H12	SLES	1	-6.16476	10.6571	-16.1628	HAL3	9801	0	0	0	0.09	
-9805	NA	SLES	1	-23.8169	16.0847	-33.5577	NA	0	0	0	0	1	
-9806	S	SLES	1	-20.3764	15.2679	-34.4776	SL	9807	9808	9809	9810	1.33	
-9807	OS1	SLES	1	-20.9965	15.1431	-32.9261	OSL	9806	9811	0	0	-0.28	
-9808	OS2	SLES	1	-21.2043	14.4268	-35.3171	O2L	9806	0	0	0	-0.65	
-9809	OS3	SLES	1	-20.5327	16.6546	-34.8636	O2L	9806	0	0	0	-0.65	
-9810	OS4	SLES	1	-18.9824	14.8736	-34.6029	O2L	9806	0	0	0	-0.65	
-9811	C2	SLES	1	-20.0204	14.4569	-32.0337	CC32A	9807	9812	9813	9814	-0.11	
-9812	H2A	SLES	1	-19.7324	13.4542	-32.4566	HCA2	9811	0	0	0	0.09	
-9813	H2B	SLES	1	-19.0983	15.0969	-31.9537	HCA2	9811	0	0	0	0.09	
-9814	C1	SLES	1	-20.6727	14.2643	-30.5834	CC32A	9811	9815	9816	9817	-0.01	
-9815	H1B	SLES	1	-21.633	13.7058	-30.6708	HCA2	9814	0	0	0	0.09	
-9816	H1A	SLES	1	-20.8764	15.2594	-30.1237	HCA2	9814	0	0	0	0.09	
-9817	O1	SLES	1	-19.9465	13.5193	-29.5367	OC30A	9814	9818	0	0	-0.34	
-9818	C2	SLES	1	-18.5275	13.3461	-29.7343	CC32A	9817	9819	9820	9821	-0.01	
-9819	H2A	SLES	1	-18.5001	12.7756	-30.6833	HCA2	9818	0	0	0	0.09	
-9820	H2B	SLES	1	-18.1842	14.3866	-29.9314	HCA2	9818	0	0	0	0.09	
-9821	C1	SLES	1	-17.5807	12.6698	-28.6935	CC32A	9818	9822	9823	9824	-0.01	
-9822	H1B	SLES	1	-17.5158	11.579	-28.8986	HCA2	9821	0	0	0	0.09	
-9823	H1A	SLES	1	-16.5667	13.1086	-28.7819	HCA2	9821	0	0	0	0.09	
-9824	O1	SLES	1	-17.8569	12.6408	-27.2562	OC30A	9821	9825	0	0	-0.34	
-9825	C1	SLES	1	-16.6624	12.6154	-26.3922	CTL2	9824	9826	9827	9828	-0.18	
-9826	H11	SLES	1	-15.7908	12.4322	-27.0464	HAL2	9825	0	0	0	0.09	
-9827	H12	SLES	1	-16.6275	13.6668	-26.0392	HAL2	9825	0	0	0	0.09	
-9828	C2	SLES	1	-16.6128	11.6334	-25.1555	CTL2	9825	9829	9830	9831	-0.18	
-9829	H21	SLES	1	-17.5459	11.0271	-25.1338	HAL2	9828	0	0	0	0.09	
-9830	H22	SLES	1	-16.5719	12.2326	-24.2197	HAL2	9828	0	0	0	0.09	
-9831	C3	SLES	1	-15.3473	10.6462	-25.2044	CTL2	9828	9832	9833	9834	-0.18	
-9832	H31	SLES	1	-15.6896	9.63551	-25.5202	HAL2	9831	0	0	0	0.09	
-9833	H32	SLES	1	-14.6303	11.0151	-25.9646	HAL2	9831	0	0	0	0.09	
-9834	C4	SLES	1	-14.6021	10.5243	-23.8108	CTL2	9831	9835	9836	9837	-0.18	
-9835	H41	SLES	1	-14.8943	9.56785	-23.3292	HAL2	9834	0	0	0	0.09	
-9836	H42	SLES	1	-14.9286	11.3548	-23.1485	HAL2	9834	0	0	0	0.09	
-9837	C5	SLES	1	-13.0143	10.5717	-23.957	CTL2	9834	9838	9839	9840	-0.18	
-9838	H51	SLES	1	-12.7402	10.3534	-25.0128	HAL2	9837	0	0	0	0.09	
-9839	H52	SLES	1	-12.6585	11.5996	-23.7167	HAL2	9837	0	0	0	0.09	
-9840	C6	SLES	1	-12.2804	9.5427	-23.0168	CTL2	9837	9841	9842	9843	-0.18	
-9841	H61	SLES	1	-12.4427	8.5135	-23.4086	HAL2	9840	0	0	0	0.09	
-9842	H62	SLES	1	-11.1848	9.74939	-23.0392	HAL2	9840	0	0	0	0.09	
-9843	C7	SLES	1	-12.7802	9.60985	-21.539	CTL2	9840	9844	9845	9846	-0.18	
-9844	H71	SLES	1	-13.7259	9.03092	-21.4492	HAL2	9843	0	0	0	0.09	
-9845	H72	SLES	1	-12.9994	10.6688	-21.2767	HAL2	9843	0	0	0	0.09	
-9846	C8	SLES	1	-11.7467	9.04426	-20.5332	CTL2	9843	9847	9848	9849	-0.18	
-9847	H81	SLES	1	-11.3566	8.07432	-20.9186	HAL2	9846	0	0	0	0.09	
-9848	H82	SLES	1	-10.8906	9.75244	-20.4543	HAL2	9846	0	0	0	0.09	
-9849	C9	SLES	1	-12.352	8.82255	-19.1244	CTL2	9846	9850	9851	9852	-0.18	
-9850	H91	SLES	1	-13.2262	8.13767	-19.2085	HAL2	9849	0	0	0	0.09	
-9851	H92	SLES	1	-12.7163	9.79727	-18.7285	HAL2	9849	0	0	0	0.09	
-9852	C10	SLES	1	-11.3345	8.221	-18.1264	CTL2	9849	9853	9854	9855	-0.18	
-9853	H10	SLES	1	-10.9874	7.23484	-18.5109	HAL2	9852	0	0	0	0.09	
-9854	H10	SLES	1	-10.4501	8.8943	-18.0585	HAL2	9852	0	0	0	0.09	
-9855	C11	SLES	1	-11.9352	8.02898	-16.7086	CTL2	9852	9856	9857	9858	-0.18	
-9856	H11	SLES	1	-12.8151	7.34949	-16.7808	HAL2	9855	0	0	0	0.09	
-9857	H11	SLES	1	-12.297	9.01442	-16.3358	HAL2	9855	0	0	0	0.09	
-9858	C12	SLES	1	-10.9341	7.44255	-15.6798	CTL3	9855	9859	9860	9861	-0.27	
-9859	H12	SLES	1	-11.3185	6.48235	-15.2704	HAL3	9858	0	0	0	0.09	
-9860	H12	SLES	1	-10.7855	8.15299	-14.8368	HAL3	9858	0	0	0	0.09	
-9861	H12	SLES	1	-9.95005	7.25359	-16.1616	HAL3	9858	0	0	0	0.09	
-9862	NA	SLES	1	-28.0122	4.05219	-33.9261	NA	0	0	0	0	1	
-9863	S	SLES	1	-24.9361	5.9793	-34.3432	SL	9864	9865	9866	9867	1.33	
-9864	OS1	SLES	1	-25.319	5.09196	-32.9745	OSL	9863	9868	0	0	-0.28	
-9865	OS2	SLES	1	-24.9545	5.04788	-35.452	O2L	9863	0	0	0	-0.65	
-9866	OS3	SLES	1	-25.9955	6.9536	-34.501	O2L	9863	0	0	0	-0.65	
-9867	OS4	SLES	1	-23.649	6.65327	-34.2838	O2L	9863	0	0	0	-0.65	
-9868	C2	SLES	1	-24.1473	5.02796	-32.0562	CC32A	9864	9869	9870	9871	-0.11	
-9869	H2A	SLES	1	-23.2464	4.61524	-32.5902	HCA2	9868	0	0	0	0.09	
-9870	H2B	SLES	1	-23.9145	6.07002	-31.701	HCA2	9868	0	0	0	0.09	
-9871	C1	SLES	1	-24.5062	4.09678	-30.8032	CC32A	9868	9872	9873	9874	-0.01	
-9872	H1B	SLES	1	-24.8225	3.08897	-31.1582	HCA2	9871	0	0	0	0.09	
-9873	H1A	SLES	1	-25.3409	4.55061	-30.2198	HCA2	9871	0	0	0	0.09	
-9874	O1	SLES	1	-23.478	3.78727	-29.7908	OC30A	9871	9875	0	0	-0.34	
-9875	C2	SLES	1	-22.3233	4.65227	-29.7581	CC32A	9874	9876	9877	9878	-0.01	
-9876	H2A	SLES	1	-21.9026	4.50494	-30.7721	HCA2	9875	0	0	0	0.09	
-9877	H2B	SLES	1	-22.7836	5.66452	-29.7043	HCA2	9875	0	0	0	0.09	
-9878	C1	SLES	1	-21.1813	4.53865	-28.6997	CC32A	9875	9879	9880	9881	-0.01	
-9879	H1B	SLES	1	-20.385	3.86156	-29.0783	HCA2	9878	0	0	0	0.09	
-9880	H1A	SLES	1	-20.742	5.54143	-28.5263	HCA2	9878	0	0	0	0.09	
-9881	O1	SLES	1	-21.378	3.97499	-27.3631	OC30A	9878	9882	0	0	-0.34	
-9882	C1	SLES	1	-20.4995	4.52985	-26.3171	CTL2	9881	9883	9884	9885	-0.18	
-9883	H11	SLES	1	-19.7319	5.14048	-26.8262	HAL2	9882	0	0	0	0.09	
-9884	H12	SLES	1	-21.1978	5.20794	-25.7843	HAL2	9882	0	0	0	0.09	
-9885	C2	SLES	1	-19.804	3.5579	-25.2837	CTL2	9882	9886	9887	9888	-0.18	
-9886	H21	SLES	1	-20.069	2.50688	-25.5366	HAL2	9885	0	0	0	0.09	
-9887	H22	SLES	1	-20.1945	3.77388	-24.2651	HAL2	9885	0	0	0	0.09	
-9888	C3	SLES	1	-18.2053	3.70833	-25.2776	CTL2	9885	9889	9890	9891	-0.18	
-9889	H31	SLES	1	-17.7593	2.84659	-25.8223	HAL2	9888	0	0	0	0.09	
-9890	H32	SLES	1	-17.9274	4.63395	-25.82	HAL2	9888	0	0	0	0.09	
-9891	C4	SLES	1	-17.5937	3.7651	-23.8165	CTL2	9888	9892	9893	9894	-0.18	
-9892	H41	SLES	1	-17.1568	2.77471	-23.5708	HAL2	9891	0	0	0	0.09	
-9893	H42	SLES	1	-18.4073	3.97057	-23.088	HAL2	9891	0	0	0	0.09	
-9894	C5	SLES	1	-16.4676	4.8848	-23.665	CTL2	9891	9895	9896	9897	-0.18	
-9895	H51	SLES	1	-16.1071	5.17645	-24.6761	HAL2	9894	0	0	0	0.09	
-9896	H52	SLES	1	-16.9147	5.78665	-23.1878	HAL2	9894	0	0	0	0.09	
-9897	C6	SLES	1	-15.2382	4.4063	-22.8041	CTL2	9894	9898	9899	9900	-0.18	
-9898	H61	SLES	1	-14.6475	3.66938	-23.3933	HAL2	9897	0	0	0	0.09	
-9899	H62	SLES	1	-14.5812	5.28221	-22.593	HAL2	9897	0	0	0	0.09	
-9900	C7	SLES	1	-15.664	3.7527	-21.4515	CTL2	9897	9901	9902	9903	-0.18	
-9901	H71	SLES	1	-15.9577	2.69559	-21.6359	HAL2	9900	0	0	0	0.09	
-9902	H72	SLES	1	-16.5518	4.29095	-21.0507	HAL2	9900	0	0	0	0.09	
-9903	C8	SLES	1	-14.5344	3.78349	-20.392	CTL2	9900	9904	9905	9906	-0.18	
-9904	H81	SLES	1	-13.5818	3.452	-20.8656	HAL2	9903	0	0	0	0.09	
-9905	H82	SLES	1	-14.3963	4.83037	-20.0376	HAL2	9903	0	0	0	0.09	
-9906	C9	SLES	1	-14.8386	2.87313	-19.1759	CTL2	9903	9907	9908	9909	-0.18	
-9907	H91	SLES	1	-15.0057	1.83205	-19.5344	HAL2	9906	0	0	0	0.09	
-9908	H92	SLES	1	-15.7757	3.2224	-18.6866	HAL2	9906	0	0	0	0.09	
-9909	C10	SLES	1	-13.6959	2.86987	-18.1331	CTL2	9906	9910	9911	9912	-0.18	
-9910	H10	SLES	1	-12.7636	2.49828	-18.6164	HAL2	9909	0	0	0	0.09	
-9911	H10	SLES	1	-13.5132	3.91356	-17.7904	HAL2	9909	0	0	0	0.09	
-9912	C11	SLES	1	-14.0172	1.9813	-16.9021	CTL2	9909	9913	9914	9915	-0.18	
-9913	H11	SLES	1	-14.1923	0.937284	-17.2493	HAL2	9912	0	0	0	0.09	
-9914	H11	SLES	1	-14.9596	2.34559	-16.433	HAL2	9912	0	0	0	0.09	
-9915	C12	SLES	1	-12.8971	1.97018	-15.8299	CTL3	9912	9916	9917	9918	-0.27	
-9916	H12	SLES	1	-12.524	0.934287	-15.6714	HAL3	9915	0	0	0	0.09	
-9917	H12	SLES	1	-13.2842	2.35938	-14.8624	HAL3	9915	0	0	0	0.09	
-9918	H12	SLES	1	-12.0455	2.60783	-16.153	HAL3	9915	0	0	0	0.09	
-9919	NA	SLES	1	-26.4189	-8.08221	-34.479	NA	0	0	0	0	1	
-9920	S	SLES	1	-25.4963	-4.56224	-34.1487	SL	9921	9922	9923	9924	1.33	
-9921	OS1	SLES	1	-25.054	-5.76239	-33.0664	OSL	9920	9925	0	0	-0.28	
-9922	OS2	SLES	1	-24.9855	-4.9695	-35.4413	O2L	9920	0	0	0	-0.65	
-9923	OS3	SLES	1	-26.9441	-4.55434	-34.1718	O2L	9920	0	0	0	-0.65	
-9924	OS4	SLES	1	-24.9996	-3.23694	-33.8151	O2L	9920	0	0	0	-0.65	
-9925	C2	SLES	1	-24.0661	-5.23328	-32.0844	CC32A	9921	9926	9927	9928	-0.11	
-9926	H2A	SLES	1	-23.1764	-4.79208	-32.6145	HCA2	9925	0	0	0	0.09	
-9927	H2B	SLES	1	-24.5637	-4.42819	-31.4757	HCA2	9925	0	0	0	0.09	
-9928	C1	SLES	1	-23.5873	-6.42098	-31.1221	CC32A	9925	9929	9930	9931	-0.01	
-9929	H1B	SLES	1	-23.1741	-7.25839	-31.7303	HCA2	9928	0	0	0	0.09	
-9930	H1A	SLES	1	-24.4515	-6.80035	-30.5285	HCA2	9928	0	0	0	0.09	
-9931	O1	SLES	1	-22.5309	-6.18284	-30.1195	OC30A	9928	9932	0	0	-0.34	
-9932	C2	SLES	1	-22.2624	-4.80634	-29.7792	CC32A	9931	9933	9934	9935	-0.01	
-9933	H2A	SLES	1	-21.9481	-4.38986	-30.7563	HCA2	9932	0	0	0	0.09	
-9934	H2B	SLES	1	-23.2764	-4.41804	-29.5333	HCA2	9932	0	0	0	0.09	
-9935	C1	SLES	1	-21.2501	-4.36483	-28.6758	CC32A	9932	9936	9937	9938	-0.01	
-9936	H1B	SLES	1	-20.2449	-4.21582	-29.1269	HCA2	9935	0	0	0	0.09	
-9937	H1A	SLES	1	-21.5864	-3.40585	-28.2333	HCA2	9935	0	0	0	0.09	
-9938	O1	SLES	1	-20.8918	-5.20494	-27.5319	OC30A	9935	9939	0	0	-0.34	
-9939	C1	SLES	1	-20.5237	-4.46857	-26.3087	CTL2	9938	9940	9941	9942	-0.18	
-9940	H11	SLES	1	-20.4182	-3.4046	-26.588	HAL2	9939	0	0	0	0.09	
-9941	H12	SLES	1	-21.4433	-4.58687	-25.6991	HAL2	9939	0	0	0	0.09	
-9942	C2	SLES	1	-19.2638	-4.92416	-25.4711	CTL2	9939	9943	9944	9945	-0.18	
-9943	H21	SLES	1	-18.7745	-5.78116	-25.9858	HAL2	9942	0	0	0	0.09	
-9944	H22	SLES	1	-19.6018	-5.27317	-24.4709	HAL2	9942	0	0	0	0.09	
-9945	C3	SLES	1	-18.1911	-3.74427	-25.2825	CTL2	9942	9946	9947	9948	-0.18	
-9946	H31	SLES	1	-17.3342	-3.92181	-25.9699	HAL2	9945	0	0	0	0.09	
-9947	H32	SLES	1	-18.6601	-2.7809	-25.5658	HAL2	9945	0	0	0	0.09	
-9948	C4	SLES	1	-17.6455	-3.63404	-23.7985	CTL2	9945	9949	9950	9951	-0.18	
-9949	H41	SLES	1	-16.6357	-4.09263	-23.7516	HAL2	9948	0	0	0	0.09	
-9950	H42	SLES	1	-18.3137	-4.20744	-23.1205	HAL2	9948	0	0	0	0.09	
-9951	C5	SLES	1	-17.5584	-2.12574	-23.2864	CTL2	9948	9952	9953	9954	-0.18	
-9952	H51	SLES	1	-17.5834	-1.44237	-24.1638	HAL2	9951	0	0	0	0.09	
-9953	H52	SLES	1	-18.4494	-1.90501	-22.6552	HAL2	9951	0	0	0	0.09	
-9954	C6	SLES	1	-16.2546	-1.83541	-22.4514	CTL2	9951	9955	9956	9957	-0.18	
-9955	H61	SLES	1	-15.3796	-1.81766	-23.1393	HAL2	9954	0	0	0	0.09	
-9956	H62	SLES	1	-16.3423	-0.827801	-21.9818	HAL2	9954	0	0	0	0.09	
-9957	C7	SLES	1	-16.0025	-2.89661	-21.334	CTL2	9954	9958	9959	9960	-0.18	
-9958	H71	SLES	1	-15.5238	-3.79317	-21.7865	HAL2	9957	0	0	0	0.09	
-9959	H72	SLES	1	-16.9792	-3.2097	-20.9024	HAL2	9957	0	0	0	0.09	
-9960	C8	SLES	1	-15.0963	-2.36225	-20.197	CTL2	9957	9961	9962	9963	-0.18	
-9961	H81	SLES	1	-14.2178	-1.84344	-20.6449	HAL2	9960	0	0	0	0.09	
-9962	H82	SLES	1	-15.6666	-1.61732	-19.5967	HAL2	9960	0	0	0	0.09	
-9963	C9	SLES	1	-14.5947	-3.48998	-19.2605	CTL2	9960	9964	9965	9966	-0.18	
-9964	H91	SLES	1	-14.05	-4.24947	-19.8661	HAL2	9963	0	0	0	0.09	
-9965	H92	SLES	1	-15.4724	-3.98962	-18.7919	HAL2	9963	0	0	0	0.09	
-9966	C10	SLES	1	-13.6575	-2.96684	-18.1464	CTL2	9963	9967	9968	9969	-0.18	
-9967	H10	SLES	1	-12.7678	-2.48752	-18.6149	HAL2	9966	0	0	0	0.09	
-9968	H10	SLES	1	-14.1941	-2.19137	-17.5541	HAL2	9966	0	0	0	0.09	
-9969	C11	SLES	1	-13.1818	-4.09421	-17.1921	CTL2	9966	9970	9971	9972	-0.18	
-9970	H11	SLES	1	-12.6399	-4.86379	-17.788	HAL2	9969	0	0	0	0.09	
-9971	H11	SLES	1	-14.0753	-4.58219	-16.7399	HAL2	9969	0	0	0	0.09	
-9972	C12	SLES	1	-12.2532	-3.5987	-16.0533	CTL3	9969	9973	9974	9975	-0.27	
-9973	H12	SLES	1	-11.2678	-4.11184	-16.1074	HAL3	9972	0	0	0	0.09	
-9974	H12	SLES	1	-12.71	-3.81195	-15.0617	HAL3	9972	0	0	0	0.09	
-9975	H12	SLES	1	-12.0871	-2.50268	-16.1386	HAL3	9972	0	0	0	0.09	
-9976	NA	SLES	1	-20.0913	-17.7466	-35.1209	NA	0	0	0	0	1	
-9977	S	SLES	1	-21.6864	-14.6835	-33.928	SL	9978	9979	9980	9981	1.33	
-9978	OS1	SLES	1	-20.3768	-15.4196	-33.1861	OSL	9977	9982	0	0	-0.28	
-9979	OS2	SLES	1	-21.2768	-14.3945	-35.2867	O2L	9977	0	0	0	-0.65	
-9980	OS3	SLES	1	-22.7507	-15.6652	-33.9329	O2L	9977	0	0	0	-0.65	
-9981	OS4	SLES	1	-22.1407	-13.4647	-33.2778	O2L	9977	0	0	0	-0.65	
-9982	C2	SLES	1	-19.8305	-14.5415	-32.1133	CC32A	9978	9983	9984	9985	-0.11	
-9983	H2A	SLES	1	-19.569	-13.5271	-32.5252	HCA2	9982	0	0	0	0.09	
-9984	H2B	SLES	1	-20.6161	-14.4199	-31.3168	HCA2	9982	0	0	0	0.09	
-9985	C1	SLES	1	-18.5241	-15.2228	-31.4849	CC32A	9982	9986	9987	9988	-0.01	
-9986	H1B	SLES	1	-17.7786	-15.4252	-32.2881	HCA2	9985	0	0	0	0.09	
-9987	H1A	SLES	1	-18.7966	-16.1872	-30.9963	HCA2	9985	0	0	0	0.09	
-9988	O1	SLES	1	-17.7319	-14.5072	-30.4659	OC30A	9985	9989	0	0	-0.34	
-9989	C2	SLES	1	-18.3851	-13.4097	-29.7941	CC32A	9988	9990	9991	9992	-0.01	
-9990	H2A	SLES	1	-18.6065	-12.7281	-30.6387	HCA2	9989	0	0	0	0.09	
-9991	H2B	SLES	1	-19.3365	-13.8726	-29.4479	HCA2	9989	0	0	0	0.09	
-9992	C1	SLES	1	-17.7414	-12.5981	-28.6261	CC32A	9989	9993	9994	9995	-0.01	
-9993	H1B	SLES	1	-17.1883	-11.7251	-29.036	HCA2	9992	0	0	0	0.09	
-9994	H1A	SLES	1	-18.541	-12.228	-27.9535	HCA2	9992	0	0	0	0.09	
-9995	O1	SLES	1	-16.7199	-13.148	-27.7333	OC30A	9992	9996	0	0	-0.34	
-9996	C1	SLES	1	-16.7191	-12.5902	-26.3685	CTL2	9995	9997	9998	9999	-0.18	
-9997	H11	SLES	1	-17.3956	-11.7164	-26.3731	HAL2	9996	0	0	0	0.09	
-9998	H12	SLES	1	-17.2017	-13.4107	-25.7983	HAL2	9996	0	0	0	0.09	
-9999	C2	SLES	1	-15.3497	-12.1969	-25.6855	CTL2	9996	10000	10001	10002	-0.18	
-10000	H21	SLES	1	-14.519	-12.3774	-26.4039	HAL2	9999	0	0	0	0.09	
-10001	H22	SLES	1	-15.1859	-12.8509	-24.8012	HAL2	9999	0	0	0	0.09	
-10002	C3	SLES	1	-15.3141	-10.661	-25.2183	CTL2	9999	10003	10004	10005	-0.18	
-10003	H31	SLES	1	-14.6956	-10.0789	-25.9373	HAL2	10002	0	0	0	0.09	
-10004	H32	SLES	1	-16.3434	-10.251	-25.2458	HAL2	10002	0	0	0	0.09	
-10005	C4	SLES	1	-14.7233	-10.4702	-23.76	CTL2	10002	10006	10007	10008	-0.18	
-10006	H41	SLES	1	-13.676	-10.1113	-23.8404	HAL2	10005	0	0	0	0.09	
-10007	H42	SLES	1	-14.7096	-11.4525	-23.2404	HAL2	10005	0	0	0	0.09	
-10008	C5	SLES	1	-15.5649	-9.43389	-22.8868	CTL2	10005	10009	10010	10011	-0.18	
-10009	H51	SLES	1	-16.1922	-8.8135	-23.5644	HAL2	10008	0	0	0	0.09	
-10010	H52	SLES	1	-16.2469	-9.99885	-22.211	HAL2	10008	0	0	0	0.09	
-10011	C6	SLES	1	-14.6571	-8.48252	-22.0196	CTL2	10008	10012	10013	10014	-0.18	
-10012	H61	SLES	1	-14.1546	-7.74989	-22.6903	HAL2	10011	0	0	0	0.09	
-10013	H62	SLES	1	-15.3027	-7.91248	-21.3114	HAL2	10011	0	0	0	0.09	
-10014	C7	SLES	1	-13.5716	-9.25682	-21.2069	CTL2	10011	10015	10016	10017	-0.18	
-10015	H71	SLES	1	-12.7113	-9.48353	-21.875	HAL2	10014	0	0	0	0.09	
-10016	H72	SLES	1	-13.9989	-10.223	-20.8573	HAL2	10014	0	0	0	0.09	
-10017	C8	SLES	1	-13.0605	-8.45817	-19.982	CTL2	10014	10018	10019	10020	-0.18	
-10018	H81	SLES	1	-12.8436	-7.41099	-20.2946	HAL2	10017	0	0	0	0.09	
-10019	H82	SLES	1	-13.8609	-8.42744	-19.2079	HAL2	10017	0	0	0	0.09	
-10020	C9	SLES	1	-11.7818	-9.07693	-19.3637	CTL2	10017	10021	10022	10023	-0.18	
-10021	H91	SLES	1	-10.9914	-9.13456	-20.1462	HAL2	10020	0	0	0	0.09	
-10022	H92	SLES	1	-12.007	-10.1137	-19.0261	HAL2	10020	0	0	0	0.09	
-10023	C10	SLES	1	-11.2448	-8.26099	-18.164	CTL2	10020	10024	10025	10026	-0.18	
-10024	H10	SLES	1	-10.9974	-7.23041	-18.5067	HAL2	10023	0	0	0	0.09	
-10025	H10	SLES	1	-12.0422	-8.1841	-17.3905	HAL2	10023	0	0	0	0.09	
-10026	C11	SLES	1	-9.98192	-8.9003	-17.5281	CTL2	10023	10027	10028	10029	-0.18	
-10027	H11	SLES	1	-9.18521	-8.9687	-18.3038	HAL2	10026	0	0	0	0.09	
-10028	H11	SLES	1	-10.2294	-9.93675	-17.2034	HAL2	10026	0	0	0	0.09	
-10029	C12	SLES	1	-9.42858	-8.11412	-16.3115	CTL3	10026	10030	10031	10032	-0.27	
-10030	H12	SLES	1	-8.38103	-7.79271	-16.503	HAL3	10029	0	0	0	0.09	
-10031	H12	SLES	1	-9.44264	-8.752	-15.4003	HAL3	10029	0	0	0	0.09	
-10032	H12	SLES	1	-10.0473	-7.21023	-16.1208	HAL3	10029	0	0	0	0.09	
-10033	NA	SLES	1	-10.9967	-23.5319	-35.7408	NA	0	0	0	0	1	
-10034	S	SLES	1	-13.8708	-22.5309	-33.719	SL	10035	10036	10037	10038	1.33	
-10035	OS1	SLES	1	-12.2746	-22.2235	-33.3128	OSL	10034	10039	0	0	-0.28	
-10036	OS2	SLES	1	-14.087	-21.9217	-35.015	O2L	10034	0	0	0	-0.65	
-10037	OS3	SLES	1	-13.9894	-23.97	-33.8256	O2L	10034	0	0	0	-0.65	
-10038	OS4	SLES	1	-14.8439	-22.0237	-32.7648	O2L	10034	0	0	0	-0.65	
-10039	C2	SLES	1	-12.2078	-21.3094	-32.138	CC32A	10035	10040	10041	10042	-0.11	
-10040	H2A	SLES	1	-12.7837	-20.3631	-32.3378	HCA2	10039	0	0	0	0.09	
-10041	H2B	SLES	1	-12.663	-21.8328	-31.2519	HCA2	10039	0	0	0	0.09	
-10042	C1	SLES	1	-10.6766	-20.9548	-31.8289	CC32A	10039	10043	10044	10045	-0.01	
-10043	H1B	SLES	1	-10.1986	-20.5166	-32.7352	HCA2	10042	0	0	0	0.09	
-10044	H1A	SLES	1	-10.1232	-21.8794	-31.5424	HCA2	10042	0	0	0	0.09	
-10045	O1	SLES	1	-10.3395	-19.9836	-30.7702	OC30A	10042	10046	0	0	-0.34	
-10046	C2	SLES	1	-11.3703	-19.7025	-29.8001	CC32A	10045	10047	10048	10049	-0.01	
-10047	H2A	SLES	1	-12.1754	-19.2906	-30.4396	HCA2	10046	0	0	0	0.09	
-10048	H2B	SLES	1	-11.6661	-20.7213	-29.4627	HCA2	10046	0	0	0	0.09	
-10049	C1	SLES	1	-11.1675	-18.7775	-28.559	CC32A	10046	10050	10051	10052	-0.01	
-10050	H1B	SLES	1	-11.4413	-17.7324	-28.8213	HCA2	10049	0	0	0	0.09	
-10051	H1A	SLES	1	-11.8251	-19.1208	-27.7354	HCA2	10049	0	0	0	0.09	
-10052	O1	SLES	1	-9.86451	-18.5478	-27.9326	OC30A	10049	10053	0	0	-0.34	
-10053	C1	SLES	1	-9.9092	-18.2654	-26.4862	CTL2	10052	10054	10055	10056	-0.18	
-10054	H11	SLES	1	-10.9689	-18.1022	-26.2185	HAL2	10053	0	0	0	0.09	
-10055	H12	SLES	1	-9.58166	-19.2383	-26.0649	HAL2	10053	0	0	0	0.09	
-10056	C2	SLES	1	-9.02605	-17.0991	-25.8897	CTL2	10053	10057	10058	10059	-0.18	
-10057	H21	SLES	1	-8.48145	-16.5938	-26.7185	HAL2	10056	0	0	0	0.09	
-10058	H22	SLES	1	-8.27095	-17.5344	-25.1991	HAL2	10056	0	0	0	0.09	
-10059	C3	SLES	1	-9.89961	-16.0102	-25.0961	CTL2	10056	10060	10061	10062	-0.18	
-10060	H31	SLES	1	-10.0081	-15.1023	-25.7303	HAL2	10059	0	0	0	0.09	
-10061	H32	SLES	1	-10.9127	-16.4217	-24.9155	HAL2	10059	0	0	0	0.09	
-10062	C4	SLES	1	-9.25854	-15.5938	-23.7076	CTL2	10059	10063	10064	10065	-0.18	
-10063	H41	SLES	1	-8.76307	-14.6071	-23.8218	HAL2	10062	0	0	0	0.09	
-10064	H42	SLES	1	-8.48117	-16.3368	-23.4271	HAL2	10062	0	0	0	0.09	
-10065	C5	SLES	1	-10.3368	-15.5043	-22.5353	CTL2	10062	10066	10067	10068	-0.18	
-10066	H51	SLES	1	-11.353	-15.4305	-22.9816	HAL2	10065	0	0	0	0.09	
-10067	H52	SLES	1	-10.2951	-16.4398	-21.932	HAL2	10065	0	0	0	0.09	
-10068	C6	SLES	1	-10.1074	-14.2703	-21.5834	CTL2	10065	10069	10070	10071	-0.18	
-10069	H61	SLES	1	-10.3866	-13.3382	-22.1241	HAL2	10068	0	0	0	0.09	
-10070	H62	SLES	1	-10.7777	-14.3669	-20.6975	HAL2	10068	0	0	0	0.09	
-10071	C7	SLES	1	-8.62999	-14.151	-21.0922	CTL2	10068	10072	10073	10074	-0.18	
-10072	H71	SLES	1	-8.02205	-13.6631	-21.886	HAL2	10071	0	0	0	0.09	
-10073	H72	SLES	1	-8.21913	-15.1713	-20.9233	HAL2	10071	0	0	0	0.09	
-10074	C8	SLES	1	-8.50036	-13.3317	-19.784	CTL2	10071	10075	10076	10077	-0.18	
-10075	H81	SLES	1	-9.10653	-12.4013	-19.8754	HAL2	10074	0	0	0	0.09	
-10076	H82	SLES	1	-8.9117	-13.9287	-18.9385	HAL2	10074	0	0	0	0.09	
-10077	C9	SLES	1	-7.03244	-12.9503	-19.4676	CTL2	10074	10078	10079	10080	-0.18	
-10078	H91	SLES	1	-6.6126	-12.3788	-20.3264	HAL2	10077	0	0	0	0.09	
-10079	H92	SLES	1	-6.43327	-13.8811	-19.3488	HAL2	10077	0	0	0	0.09	
-10080	C10	SLES	1	-6.90157	-12.0984	-18.1829	CTL2	10077	10081	10082	10083	-0.18	
-10081	H10	SLES	1	-7.482	-11.1563	-18.3105	HAL2	10080	0	0	0	0.09	
-10082	H10	SLES	1	-7.3412	-12.6601	-17.3278	HAL2	10080	0	0	0	0.09	
-10083	C11	SLES	1	-5.42736	-11.7443	-17.8523	CTL2	10080	10084	10085	10086	-0.18	
-10084	H11	SLES	1	-4.99429	-11.1768	-18.7076	HAL2	10083	0	0	0	0.09	
-10085	H11	SLES	1	-4.8473	-12.6891	-17.7434	HAL2	10083	0	0	0	0.09	
-10086	C12	SLES	1	-5.2612	-10.904	-16.5597	CTL3	10083	10087	10088	10089	-0.27	
-10087	H12	SLES	1	-4.76708	-9.9344	-16.7899	HAL3	10086	0	0	0	0.09	
-10088	H12	SLES	1	-4.63781	-11.4526	-15.8195	HAL3	10086	0	0	0	0.09	
-10089	H12	SLES	1	-6.25327	-10.6964	-16.1027	HAL3	10086	0	0	0	0.09	
-10090	NA	SLES	1	-1.09719	-25.2619	-36.2314	NA	0	0	0	0	1	
-10091	S	SLES	1	-3.28092	-26.4596	-33.558	SL	10092	10093	10094	10095	1.33	
-10092	OS1	SLES	1	-2.25773	-25.1394	-33.4246	OSL	10091	10096	0	0	-0.28	
-10093	OS2	SLES	1	-4.16228	-26.1821	-34.6732	O2L	10091	0	0	0	-0.65	
-10094	OS3	SLES	1	-2.4364	-27.594	-33.8685	O2L	10091	0	0	0	-0.65	
-10095	OS4	SLES	1	-4.06427	-26.7378	-32.3649	O2L	10091	0	0	0	-0.65	
-10096	C2	SLES	1	-2.52263	-24.4073	-32.1541	CC32A	10092	10097	10098	10099	-0.11	
-10097	H2A	SLES	1	-3.60661	-24.1118	-32.0847	HCA2	10096	0	0	0	0.09	
-10098	H2B	SLES	1	-2.27426	-25.0866	-31.2921	HCA2	10096	0	0	0	0.09	
-10099	C1	SLES	1	-1.60098	-23.0986	-32.0947	CC32A	10096	10100	10101	10102	-0.01	
-10100	H1B	SLES	1	-1.78186	-22.4663	-32.9943	HCA2	10099	0	0	0	0.09	
-10101	H1A	SLES	1	-0.525635	-23.3923	-32.0723	HCA2	10099	0	0	0	0.09	
-10102	O1	SLES	1	-1.74238	-22.1421	-30.9797	OC30A	10099	10103	0	0	-0.34	
-10103	C2	SLES	1	-2.41243	-22.6249	-29.7962	CC32A	10102	10104	10105	10106	-0.01	
-10104	H2A	SLES	1	-3.4136	-22.883	-30.1936	HCA2	10103	0	0	0	0.09	
-10105	H2B	SLES	1	-1.86051	-23.5661	-29.5754	HCA2	10103	0	0	0	0.09	
-10106	C1	SLES	1	-2.57213	-21.791	-28.4861	CC32A	10103	10107	10108	10109	-0.01	
-10107	H1B	SLES	1	-3.52431	-21.218	-28.5199	HCA2	10106	0	0	0	0.09	
-10108	H1A	SLES	1	-2.60156	-22.4777	-27.6166	HCA2	10106	0	0	0	0.09	
-10109	O1	SLES	1	-1.64896	-20.7243	-28.0953	OC30A	10106	10110	0	0	-0.34	
-10110	C1	SLES	1	-1.50531	-20.5257	-26.6414	CTL2	10109	10111	10112	10113	-0.18	
-10111	H11	SLES	1	-2.29359	-21.1253	-26.1511	HAL2	10110	0	0	0	0.09	
-10112	H12	SLES	1	-0.523338	-21.0068	-26.4526	HAL2	10110	0	0	0	0.09	
-10113	C2	SLES	1	-1.50705	-19.0613	-26.0483	CTL2	10110	10114	10115	10116	-0.18	
-10114	H21	SLES	1	-1.66604	-18.3334	-26.8752	HAL2	10113	0	0	0	0.09	
-10115	H22	SLES	1	-0.512807	-18.8535	-25.5957	HAL2	10113	0	0	0	0.09	
-10116	C3	SLES	1	-2.64642	-18.8491	-24.9369	CTL2	10113	10117	10118	10119	-0.18	
-10117	H31	SLES	1	-3.48424	-18.2694	-25.3845	HAL2	10116	0	0	0	0.09	
-10118	H32	SLES	1	-3.04233	-19.8382	-24.6319	HAL2	10116	0	0	0	0.09	
-10119	C4	SLES	1	-2.1228	-18.0856	-23.6504	CTL2	10116	10120	10121	10122	-0.18	
-10120	H41	SLES	1	-2.45675	-17.0281	-23.699	HAL2	10119	0	0	0	0.09	
-10121	H42	SLES	1	-1.01151	-18.0939	-23.6482	HAL2	10119	0	0	0	0.09	
-10122	C5	SLES	1	-2.64853	-18.7375	-22.2927	CTL2	10119	10123	10124	10125	-0.18	
-10123	H51	SLES	1	-3.52579	-19.384	-22.5162	HAL2	10122	0	0	0	0.09	
-10124	H52	SLES	1	-1.84725	-19.3834	-21.8664	HAL2	10122	0	0	0	0.09	
-10125	C6	SLES	1	-3.06697	-17.6642	-21.2183	CTL2	10122	10126	10127	10128	-0.18	
-10126	H61	SLES	1	-4.01771	-17.1818	-21.5385	HAL2	10125	0	0	0	0.09	
-10127	H62	SLES	1	-3.25342	-18.1783	-20.2465	HAL2	10125	0	0	0	0.09	
-10128	C7	SLES	1	-1.98142	-16.5613	-21.0097	CTL2	10125	10129	10130	10131	-0.18	
-10129	H71	SLES	1	-2.0755	-15.8023	-21.8176	HAL2	10128	0	0	0	0.09	
-10130	H72	SLES	1	-0.972508	-17.0241	-21.0889	HAL2	10128	0	0	0	0.09	
-10131	C8	SLES	1	-2.10581	-15.8535	-19.6374	CTL2	10128	10132	10133	10134	-0.18	
-10132	H81	SLES	1	-3.17333	-15.5885	-19.4598	HAL2	10131	0	0	0	0.09	
-10133	H82	SLES	1	-1.78779	-16.5573	-18.8348	HAL2	10131	0	0	0	0.09	
-10134	C9	SLES	1	-1.24467	-14.5682	-19.5543	CTL2	10131	10135	10136	10137	-0.18	
-10135	H91	SLES	1	-1.54307	-13.8775	-20.3754	HAL2	10134	0	0	0	0.09	
-10136	H92	SLES	1	-0.174935	-14.8379	-19.7042	HAL2	10134	0	0	0	0.09	
-10137	C10	SLES	1	-1.39561	-13.8362	-18.1998	CTL2	10134	10138	10139	10140	-0.18	
-10138	H10	SLES	1	-2.46186	-13.5456	-18.0603	HAL2	10137	0	0	0	0.09	
-10139	H10	SLES	1	-1.11858	-14.5333	-17.3768	HAL2	10137	0	0	0	0.09	
-10140	C11	SLES	1	-0.508392	-12.5664	-18.1085	CTL2	10137	10141	10142	10143	-0.18	
-10141	H11	SLES	1	-0.793961	-11.8695	-18.9294	HAL2	10140	0	0	0	0.09	
-10142	H11	SLES	1	0.554667	-12.8595	-18.2664	HAL2	10140	0	0	0	0.09	
-10143	C12	SLES	1	-0.624785	-11.8186	-16.755	CTL3	10140	10144	10145	10146	-0.27	
-10144	H12	SLES	1	-0.977435	-10.7764	-16.9184	HAL3	10143	0	0	0	0.09	
-10145	H12	SLES	1	0.364148	-11.7827	-16.247	HAL3	10143	0	0	0	0.09	
-10146	H12	SLES	1	-1.3474	-12.3366	-16.0875	HAL3	10143	0	0	0	0.09	
-10147	NA	SLES	1	8.24716	-23.4783	-36.5081	NA	0	0	0	0	1	
-10148	S	SLES	1	8.11853	-25.5083	-33.4728	SL	10149	10150	10151	10152	1.33	
-10149	OS1	SLES	1	7.97411	-23.8393	-33.5022	OSL	10148	10153	0	0	-0.28	
-10150	OS2	SLES	1	7.06369	-26.0244	-34.3204	O2L	10148	0	0	0	-0.65	
-10151	OS3	SLES	1	9.40963	-25.8112	-34.0541	O2L	10148	0	0	0	-0.65	
-10152	OS4	SLES	1	8.0221	-26.0983	-32.1472	O2L	10148	0	0	0	-0.65	
-10153	C2	SLES	1	7.57581	-23.3319	-32.159	CC32A	10149	10154	10155	10156	-0.11	
-10154	H2A	SLES	1	6.63016	-23.8328	-31.8097	HCA2	10153	0	0	0	0.09	
-10155	H2B	SLES	1	8.40143	-23.5637	-31.4304	HCA2	10153	0	0	0	0.09	
-10156	C1	SLES	1	7.35133	-21.7477	-32.2361	CC32A	10153	10157	10158	10159	-0.01	
-10157	H1B	SLES	1	6.59653	-21.5096	-33.0206	HCA2	10156	0	0	0	0.09	
-10158	H1A	SLES	1	8.31013	-21.2406	-32.4944	HCA2	10156	0	0	0	0.09	
-10159	O1	SLES	1	6.85343	-21.0112	-31.0582	OC30A	10156	10160	0	0	-0.34	
-10160	C2	SLES	1	6.97271	-21.6764	-29.7831	CC32A	10159	10161	10162	10163	-0.01	
-10161	H2A	SLES	1	6.35576	-22.5823	-29.943	HCA2	10160	0	0	0	0.09	
-10162	H2B	SLES	1	8.04596	-21.9717	-29.7663	HCA2	10160	0	0	0	0.09	
-10163	C1	SLES	1	6.58828	-21.0193	-28.4202	CC32A	10160	10164	10165	10166	-0.01	
-10164	H1B	SLES	1	5.52465	-21.2404	-28.1839	HCA2	10163	0	0	0	0.09	
-10165	H1A	SLES	1	7.22554	-21.4417	-27.6176	HCA2	10163	0	0	0	0.09	
-10166	O1	SLES	1	6.60229	-19.5732	-28.1933	OC30A	10163	10167	0	0	-0.34	
-10167	C1	SLES	1	6.89256	-19.1624	-26.8073	CTL2	10166	10168	10169	10170	-0.18	
-10168	H11	SLES	1	6.85348	-20.073	-26.1825	HAL2	10167	0	0	0	0.09	
-10169	H12	SLES	1	7.94947	-18.8359	-26.8945	HAL2	10167	0	0	0	0.09	
-10170	C2	SLES	1	6.03308	-18.0203	-26.1341	CTL2	10167	10171	10172	10173	-0.18	
-10171	H21	SLES	1	5.24516	-17.6888	-26.8469	HAL2	10170	0	0	0	0.09	
-10172	H22	SLES	1	6.69155	-17.1496	-25.9225	HAL2	10170	0	0	0	0.09	
-10173	C3	SLES	1	5.33678	-18.4983	-24.7684	CTL2	10170	10174	10175	10176	-0.18	
-10174	H31	SLES	1	4.2568	-18.686	-24.96	HAL2	10173	0	0	0	0.09	
-10175	H32	SLES	1	5.79551	-19.4536	-24.444	HAL2	10173	0	0	0	0.09	
-10176	C4	SLES	1	5.47459	-17.4381	-23.5983	CTL2	10173	10177	10178	10179	-0.18	
-10177	H41	SLES	1	4.51418	-16.8915	-23.4933	HAL2	10176	0	0	0	0.09	
-10178	H42	SLES	1	6.26112	-16.6998	-23.8655	HAL2	10176	0	0	0	0.09	
-10179	C5	SLES	1	5.8484	-18.1105	-22.2009	CTL2	10176	10180	10181	10182	-0.18	
-10180	H51	SLES	1	5.61973	-19.1981	-22.2485	HAL2	10179	0	0	0	0.09	
-10181	H52	SLES	1	6.94277	-17.9983	-22.0256	HAL2	10179	0	0	0	0.09	
-10182	C6	SLES	1	5.06791	-17.4784	-20.9873	CTL2	10179	10183	10184	10185	-0.18	
-10183	H61	SLES	1	4.0028	-17.7983	-21.0347	HAL2	10182	0	0	0	0.09	
-10184	H62	SLES	1	5.50092	-17.8674	-20.0362	HAL2	10182	0	0	0	0.09	
-10185	C7	SLES	1	5.13093	-15.9182	-20.9736	CTL2	10182	10186	10187	10188	-0.18	
-10186	H71	SLES	1	4.37175	-15.5183	-21.6818	HAL2	10185	0	0	0	0.09	
-10187	H72	SLES	1	6.13477	-15.5914	-21.3255	HAL2	10185	0	0	0	0.09	
-10188	C8	SLES	1	4.87039	-15.3228	-19.5675	CTL2	10185	10189	10190	10191	-0.18	
-10189	H81	SLES	1	3.98103	-15.8225	-19.1195	HAL2	10188	0	0	0	0.09	
-10190	H82	SLES	1	5.74829	-15.5329	-18.915	HAL2	10188	0	0	0	0.09	
-10191	C9	SLES	1	4.62457	-13.7936	-19.6087	CTL2	10188	10192	10193	10194	-0.18	
-10192	H91	SLES	1	3.76516	-13.5821	-20.2848	HAL2	10191	0	0	0	0.09	
-10193	H92	SLES	1	5.52481	-13.2927	-20.0307	HAL2	10191	0	0	0	0.09	
-10194	C10	SLES	1	4.32505	-13.2002	-18.2118	CTL2	10191	10195	10196	10197	-0.18	
-10195	H10	SLES	1	3.4108	-13.6847	-17.7992	HAL2	10194	0	0	0	0.09	
-10196	H10	SLES	1	5.17419	-13.4305	-17.5292	HAL2	10194	0	0	0	0.09	
-10197	C11	SLES	1	4.10978	-11.664	-18.2524	CTL2	10194	10198	10199	10200	-0.18	
-10198	H11	SLES	1	3.25525	-11.4393	-18.9309	HAL2	10197	0	0	0	0.09	
-10199	H11	SLES	1	5.01937	-11.1856	-18.6822	HAL2	10197	0	0	0	0.09	
-10200	C12	SLES	1	3.82366	-11.0361	-16.8637	CTL3	10197	10201	10202	10203	-0.27	
-10201	H12	SLES	1	2.83486	-10.5265	-16.8663	HAL3	10200	0	0	0	0.09	
-10202	H12	SLES	1	4.60693	-10.2885	-16.6088	HAL3	10200	0	0	0	0.09	
-10203	H12	SLES	1	3.81505	-11.8223	-16.0777	HAL3	10200	0	0	0	0.09	
-10204	NA	SLES	1	16.281	-18.7909	-36.5228	NA	0	0	0	0	1	
-10205	S	SLES	1	18.0575	-19.7523	-33.4781	SL	10206	10207	10208	10209	1.33	
-10206	OS1	SLES	1	16.8042	-18.6417	-33.5321	OSL	10205	10210	0	0	-0.28	
-10207	OS2	SLES	1	17.5308	-20.9889	-34.0175	O2L	10205	0	0	0	-0.65	
-10208	OS3	SLES	1	19.0914	-19.2357	-34.3503	O2L	10205	0	0	0	-0.65	
-10209	OS4	SLES	1	18.6011	-19.9834	-32.1494	O2L	10205	0	0	0	-0.65	
-10210	C2	SLES	1	16.3826	-18.2716	-32.1517	CC32A	10206	10211	10212	10213	-0.11	
-10211	H2A	SLES	1	16.1097	-19.1897	-31.5603	HCA2	10210	0	0	0	0.09	
-10212	H2B	SLES	1	17.2416	-17.7524	-31.643	HCA2	10210	0	0	0	0.09	
-10213	C1	SLES	1	15.1233	-17.2847	-32.2289	CC32A	10210	10214	10215	10216	-0.01	
-10214	H1B	SLES	1	14.3014	-17.7635	-32.8095	HCA2	10213	0	0	0	0.09	
-10215	H1A	SLES	1	15.4154	-16.3355	-32.7357	HCA2	10213	0	0	0	0.09	
-10216	O1	SLES	1	14.4478	-16.8463	-30.9922	OC30A	10213	10217	0	0	-0.34	
-10217	C2	SLES	1	15.1883	-16.9998	-29.7631	CC32A	10216	10218	10219	10220	-0.01	
-10218	H2A	SLES	1	15.3475	-18.0955	-29.7312	HCA2	10217	0	0	0	0.09	
-10219	H2B	SLES	1	16.1557	-16.5036	-30.0025	HCA2	10217	0	0	0	0.09	
-10220	C1	SLES	1	14.6768	-16.508	-28.3725	CC32A	10217	10221	10222	10223	-0.01	
-10221	H1B	SLES	1	14.1104	-17.323	-27.8714	HCA2	10220	0	0	0	0.09	
-10222	H1A	SLES	1	15.5446	-16.2369	-27.7384	HCA2	10220	0	0	0	0.09	
-10223	O1	SLES	1	13.7291	-15.4044	-28.2096	OC30A	10220	10224	0	0	-0.34	
-10224	C1	SLES	1	13.8693	-14.6422	-26.9552	CTL2	10223	10225	10226	10227	-0.18	
-10225	H11	SLES	1	14.5645	-15.2061	-26.3072	HAL2	10224	0	0	0	0.09	
-10226	H12	SLES	1	14.3818	-13.7258	-27.3142	HAL2	10224	0	0	0	0.09	
-10227	C2	SLES	1	12.5799	-14.2471	-26.1321	CTL2	10224	10228	10229	10230	-0.18	
-10228	H21	SLES	1	11.6816	-14.6659	-26.6386	HAL2	10227	0	0	0	0.09	
-10229	H22	SLES	1	12.4824	-13.1394	-26.1229	HAL2	10227	0	0	0	0.09	
-10230	C3	SLES	1	12.6269	-14.7843	-24.6197	CTL2	10227	10231	10232	10233	-0.18	
-10231	H31	SLES	1	11.9593	-15.67	-24.5299	HAL2	10230	0	0	0	0.09	
-10232	H32	SLES	1	13.6593	-15.1117	-24.3845	HAL2	10230	0	0	0	0.09	
-10233	C4	SLES	1	12.1793	-13.6936	-23.5603	CTL2	10230	10234	10235	10236	-0.18	
-10234	H41	SLES	1	11.1385	-13.9091	-23.2402	HAL2	10233	0	0	0	0.09	
-10235	H42	SLES	1	12.189	-12.6919	-24.0415	HAL2	10233	0	0	0	0.09	
-10236	C5	SLES	1	13.1246	-13.6605	-22.2757	CTL2	10233	10237	10238	10239	-0.18	
-10237	H51	SLES	1	13.7017	-14.6102	-22.225	HAL2	10236	0	0	0	0.09	
-10238	H52	SLES	1	13.8518	-12.8234	-22.382	HAL2	10236	0	0	0	0.09	
-10239	C6	SLES	1	12.3258	-13.4773	-20.9305	CTL2	10236	10240	10241	10242	-0.18	
-10240	H61	SLES	1	11.7819	-14.4208	-20.7	HAL2	10239	0	0	0	0.09	
-10241	H62	SLES	1	13.0488	-13.2873	-20.1031	HAL2	10239	0	0	0	0.09	
-10242	C7	SLES	1	11.3012	-12.3004	-20.9903	CTL2	10239	10243	10244	10245	-0.18	
-10243	H71	SLES	1	10.377	-12.6497	-21.5019	HAL2	10242	0	0	0	0.09	
-10244	H72	SLES	1	11.7345	-11.4709	-21.5923	HAL2	10242	0	0	0	0.09	
-10245	C8	SLES	1	10.9267	-11.7633	-19.5864	CTL2	10242	10246	10247	10248	-0.18	
-10246	H81	SLES	1	10.7084	-12.624	-18.9135	HAL2	10245	0	0	0	0.09	
-10247	H82	SLES	1	11.7961	-11.2089	-19.1652	HAL2	10245	0	0	0	0.09	
-10248	C9	SLES	1	9.69566	-10.8233	-19.6215	CTL2	10245	10249	10250	10251	-0.18	
-10249	H91	SLES	1	8.83476	-11.3691	-20.0702	HAL2	10248	0	0	0	0.09	
-10250	H92	SLES	1	9.92488	-9.94933	-20.272	HAL2	10248	0	0	0	0.09	
-10251	C10	SLES	1	9.29352	-10.3151	-18.2168	CTL2	10248	10252	10253	10254	-0.18	
-10252	H10	SLES	1	9.04158	-11.1882	-17.5725	HAL2	10251	0	0	0	0.09	
-10253	H10	SLES	1	10.1611	-9.7884	-17.7585	HAL2	10251	0	0	0	0.09	
-10254	C11	SLES	1	8.07935	-9.3497	-18.2592	CTL2	10251	10255	10256	10257	-0.18	
-10255	H11	SLES	1	7.2125	-9.88321	-18.712	HAL2	10254	0	0	0	0.09	
-10256	H11	SLES	1	8.32949	-8.48752	-18.9187	HAL2	10254	0	0	0	0.09	
-10257	C12	SLES	1	7.66171	-8.80923	-16.867	CTL3	10254	10258	10259	10260	-0.27	
-10258	H12	SLES	1	6.60941	-9.09145	-16.6426	HAL3	10257	0	0	0	0.09	
-10259	H12	SLES	1	7.7442	-7.7002	-16.8423	HAL3	10257	0	0	0	0.09	
-10260	H12	SLES	1	8.31823	-9.23107	-16.0751	HAL3	10257	0	0	0	0.09	
-10261	NA	SLES	1	22.4147	-11.5726	-36.2731	NA	0	0	0	0	1	
-10262	S	SLES	1	24.551	-10.3494	-33.573	SL	10263	10264	10265	10266	1.33	
-10263	OS1	SLES	1	22.8773	-10.3948	-33.5093	OSL	10262	10267	0	0	-0.28	
-10264	OS2	SLES	1	24.9874	-11.7086	-33.817	O2L	10262	0	0	0	-0.65	
-10265	OS3	SLES	1	24.8884	-9.51321	-34.706	O2L	10262	0	0	0	-0.65	
-10266	OS4	SLES	1	25.1861	-9.83354	-32.371	O2L	10262	0	0	0	-0.65	
-10267	C2	SLES	1	22.4043	-10.0725	-32.1335	CC32A	10263	10268	10269	10270	-0.11	
-10268	H2A	SLES	1	22.8758	-10.7627	-31.3796	HCA2	10267	0	0	0	0.09	
-10269	H2B	SLES	1	22.6999	-9.01372	-31.8931	HCA2	10267	0	0	0	0.09	
-10270	C1	SLES	1	20.81	-10.2158	-32.0742	CC32A	10267	10271	10272	10273	-0.01	
-10271	H1B	SLES	1	20.509	-11.2389	-32.3976	HCA2	10270	0	0	0	0.09	
-10272	H1A	SLES	1	20.3363	-9.47015	-32.7545	HCA2	10270	0	0	0	0.09	
-10273	O1	SLES	1	20.0974	-10.0468	-30.793	OC30A	10270	10274	0	0	-0.34	
-10274	C2	SLES	1	20.8153	-9.37031	-29.7396	CC32A	10273	10275	10276	10277	-0.01	
-10275	H2A	SLES	1	21.6863	-10.0391	-29.5949	HCA2	10274	0	0	0	0.09	
-10276	H2B	SLES	1	21.1582	-8.43856	-30.2432	HCA2	10274	0	0	0	0.09	
-10277	C1	SLES	1	20.1941	-9.01785	-28.3513	CC32A	10274	10278	10279	10280	-0.01	
-10278	H1B	SLES	1	20.3768	-9.84956	-27.6365	HCA2	10277	0	0	0	0.09	
-10279	H1A	SLES	1	20.6745	-8.09964	-27.958	HCA2	10277	0	0	0	0.09	
-10280	O1	SLES	1	18.7597	-8.81459	-28.1414	OC30A	10277	10281	0	0	-0.34	
-10281	C1	SLES	1	18.4152	-7.87389	-27.0595	CTL2	10280	10282	10283	10284	-0.18	
-10282	H11	SLES	1	19.3463	-7.66122	-26.5037	HAL2	10281	0	0	0	0.09	
-10283	H12	SLES	1	18.1326	-6.97076	-27.639	HAL2	10281	0	0	0	0.09	
-10284	C2	SLES	1	17.2626	-8.24	-26.0428	CTL2	10281	10285	10286	10287	-0.18	
-10285	H21	SLES	1	16.8698	-9.25253	-26.2862	HAL2	10284	0	0	0	0.09	
-10286	H22	SLES	1	16.4305	-7.51206	-26.1623	HAL2	10284	0	0	0	0.09	
-10287	C3	SLES	1	17.7609	-8.22428	-24.5164	CTL2	10284	10288	10289	10290	-0.18	
-10288	H31	SLES	1	17.8933	-9.27304	-24.1687	HAL2	10287	0	0	0	0.09	
-10289	H32	SLES	1	18.7472	-7.7216	-24.4634	HAL2	10287	0	0	0	0.09	
-10290	C4	SLES	1	16.7531	-7.4834	-23.5429	CTL2	10287	10291	10292	10293	-0.18	
-10291	H41	SLES	1	16.169	-8.24365	-22.9835	HAL2	10290	0	0	0	0.09	
-10292	H42	SLES	1	16.0407	-6.87983	-24.1456	HAL2	10290	0	0	0	0.09	
-10293	C5	SLES	1	17.4941	-6.52579	-22.5043	CTL2	10290	10294	10295	10296	-0.18	
-10294	H51	SLES	1	18.5679	-6.81101	-22.4497	HAL2	10293	0	0	0	0.09	
-10295	H52	SLES	1	17.4371	-5.47652	-22.8741	HAL2	10293	0	0	0	0.09	
-10296	C6	SLES	1	16.8747	-6.59331	-21.0575	CTL2	10293	10297	10298	10299	-0.18	
-10297	H61	SLES	1	17.1452	-7.56765	-20.5922	HAL2	10296	0	0	0	0.09	
-10298	H62	SLES	1	17.3184	-5.78113	-20.4355	HAL2	10296	0	0	0	0.09	
-10299	C7	SLES	1	15.3205	-6.44257	-21.0567	CTL2	10296	10300	10301	10302	-0.18	
-10300	H71	SLES	1	14.8607	-7.42376	-21.3091	HAL2	10299	0	0	0	0.09	
-10301	H72	SLES	1	15.0252	-5.71252	-21.843	HAL2	10299	0	0	0	0.09	
-10302	C8	SLES	1	14.768	-5.96443	-19.6908	CTL2	10299	10303	10304	10305	-0.18	
-10303	H81	SLES	1	15.2445	-6.55802	-18.8773	HAL2	10302	0	0	0	0.09	
-10304	H82	SLES	1	15.0413	-4.89498	-19.542	HAL2	10302	0	0	0	0.09	
-10305	C9	SLES	1	13.229	-6.11236	-19.5905	CTL2	10302	10306	10307	10308	-0.18	
-10306	H91	SLES	1	12.9541	-7.17677	-19.7688	HAL2	10305	0	0	0	0.09	
-10307	H92	SLES	1	12.7526	-5.49668	-20.3864	HAL2	10305	0	0	0	0.09	
-10308	C10	SLES	1	12.6765	-5.67285	-18.2139	CTL2	10305	10309	10310	10311	-0.18	
-10309	H10	SLES	1	13.1354	-6.30439	-17.4194	HAL2	10308	0	0	0	0.09	
-10310	H10	SLES	1	12.9699	-4.61536	-18.0251	HAL2	10308	0	0	0	0.09	
-10311	C11	SLES	1	11.1318	-5.79333	-18.1276	CTL2	10308	10312	10313	10314	-0.18	
-10312	H11	SLES	1	10.844	-6.85393	-18.3103	HAL2	10311	0	0	0	0.09	
-10313	H11	SLES	1	10.6781	-5.17449	-18.9351	HAL2	10311	0	0	0	0.09	
-10314	C12	SLES	1	10.5451	-5.34409	-16.7643	CTL3	10311	10315	10316	10317	-0.27	
-10315	H12	SLES	1	9.99264	-6.18279	-16.2861	HAL3	10314	0	0	0	0.09	
-10316	H12	SLES	1	9.84314	-4.49311	-16.9072	HAL3	10314	0	0	0	0.09	
-10317	H12	SLES	1	11.3595	-5.02053	-16.0801	HAL3	10314	0	0	0	0.09	
-10318	NA	SLES	1	15.6523	-2.18434	-41.2591	NA	0	0	0	0	1	
-10319	S	SLES	1	16.7858	0.768073	-39.4292	SL	10320	10321	10322	10323	1.33	
-10320	OS1	SLES	1	15.7073	-0.363386	-38.8258	OSL	10319	10324	0	0	-0.28	
-10321	OS2	SLES	1	17.9932	0.0424865	-39.7655	O2L	10319	0	0	0	-0.65	
-10322	OS3	SLES	1	16.1803	1.30044	-40.6318	O2L	10319	0	0	0	-0.65	
-10323	OS4	SLES	1	17.0986	1.85171	-38.5114	O2L	10319	0	0	0	-0.65	
-10324	C2	SLES	1	15.4498	-0.111291	-37.38	CC32A	10320	10325	10326	10327	-0.11	
-10325	H2A	SLES	1	16.4153	-0.0958529	-36.8014	HCA2	10324	0	0	0	0.09	
-10326	H2B	SLES	1	14.9467	0.889903	-37.2761	HCA2	10324	0	0	0	0.09	
-10327	C1	SLES	1	14.4931	-1.25975	-36.804	CC32A	10324	10328	10329	10330	-0.01	
-10328	H1B	SLES	1	14.9498	-2.2599	-36.9855	HCA2	10327	0	0	0	0.09	
-10329	H1A	SLES	1	13.5023	-1.2194	-37.3137	HCA2	10327	0	0	0	0.09	
-10330	O1	SLES	1	14.1638	-1.29844	-35.366	OC30A	10327	10331	0	0	-0.34	
-10331	C2	SLES	1	14.3868	-0.0835074	-34.6198	CC32A	10330	10332	10333	10334	-0.01	
-10332	H2A	SLES	1	15.4774	0.0623772	-34.7474	HCA2	10331	0	0	0	0.09	
-10333	H2B	SLES	1	13.8494	0.675615	-35.2316	HCA2	10331	0	0	0	0.09	
-10334	C1	SLES	1	14.011	0.0942148	-33.115	CC32A	10331	10335	10336	10337	-0.01	
-10335	H1B	SLES	1	14.8748	-0.192016	-32.4763	HCA2	10334	0	0	0	0.09	
-10336	H1A	SLES	1	13.7641	1.15752	-32.9226	HCA2	10334	0	0	0	0.09	
-10337	O1	SLES	1	12.9473	-0.666656	-32.4574	OC30A	10334	10338	0	0	-0.34	
-10338	C1	SLES	1	12.275	0.0332149	-31.3474	CTL2	10337	10339	10340	10341	-0.18	
-10339	H11	SLES	1	12.8661	0.940877	-31.1287	HAL2	10338	0	0	0	0.09	
-10340	H12	SLES	1	11.3218	0.336632	-31.8277	HAL2	10338	0	0	0	0.09	
-10341	C2	SLES	1	11.9746	-0.740536	-30.003	CTL2	10338	10342	10343	10344	-0.18	
-10342	H21	SLES	1	12.3789	-1.77472	-30.0795	HAL2	10341	0	0	0	0.09	
-10343	H22	SLES	1	10.8735	-0.812638	-29.8658	HAL2	10341	0	0	0	0.09	
-10344	C3	SLES	1	12.619	-0.0194775	-28.7211	CTL2	10341	10345	10346	10347	-0.18	
-10345	H31	SLES	1	13.526	-0.582784	-28.4076	HAL2	10344	0	0	0	0.09	
-10346	H32	SLES	1	12.9355	1.00439	-29.0035	HAL2	10344	0	0	0	0.09	
-10347	C4	SLES	1	11.6204	0.0710401	-27.4936	CTL2	10344	10348	10349	10350	-0.18	
-10348	H41	SLES	1	11.8857	-0.714336	-26.7555	HAL2	10347	0	0	0	0.09	
-10349	H42	SLES	1	10.5864	-0.128388	-27.8489	HAL2	10347	0	0	0	0.09	
-10350	C5	SLES	1	11.6561	1.49546	-26.7763	CTL2	10347	10351	10352	10353	-0.18	
-10351	H51	SLES	1	12.5915	2.02394	-27.0648	HAL2	10350	0	0	0	0.09	
-10352	H52	SLES	1	10.7947	2.10392	-27.1351	HAL2	10350	0	0	0	0.09	
-10353	C6	SLES	1	11.5921	1.39347	-25.2057	CTL2	10350	10354	10355	10356	-0.18	
-10354	H61	SLES	1	12.5638	1.00367	-24.8275	HAL2	10353	0	0	0	0.09	
-10355	H62	SLES	1	11.4439	2.41437	-24.7823	HAL2	10353	0	0	0	0.09	
-10356	C7	SLES	1	10.4413	0.464015	-24.7058	CTL2	10353	10357	10358	10359	-0.18	
-10357	H71	SLES	1	10.7764	-0.594905	-24.7698	HAL2	10356	0	0	0	0.09	
-10358	H72	SLES	1	9.55906	0.586053	-25.373	HAL2	10356	0	0	0	0.09	
-10359	C8	SLES	1	10.0176	0.770338	-23.2476	CTL2	10356	10360	10361	10362	-0.18	
-10360	H81	SLES	1	10.9304	0.871867	-22.6168	HAL2	10359	0	0	0	0.09	
-10361	H82	SLES	1	9.47278	1.74153	-23.2234	HAL2	10359	0	0	0	0.09	
-10362	C9	SLES	1	9.11009	-0.334343	-22.6506	CTL2	10359	10363	10364	10365	-0.18	
-10363	H91	SLES	1	9.64413	-1.31029	-22.7023	HAL2	10362	0	0	0	0.09	
-10364	H92	SLES	1	8.18544	-0.415843	-23.2653	HAL2	10362	0	0	0	0.09	
-10365	C10	SLES	1	8.7161	-0.0525604	-21.1813	CTL2	10362	10366	10367	10368	-0.18	
-10366	H10	SLES	1	9.64002	0.00582877	-20.5618	HAL2	10365	0	0	0	0.09	
-10367	H10	SLES	1	8.20163	0.933459	-21.1255	HAL2	10365	0	0	0	0.09	
-10368	C11	SLES	1	7.7823	-1.14523	-20.5965	CTL2	10365	10369	10370	10371	-0.18	
-10369	H11	SLES	1	8.30397	-2.12824	-20.6483	HAL2	10368	0	0	0	0.09	
-10370	H11	SLES	1	6.86818	-1.21228	-21.2296	HAL2	10368	0	0	0	0.09	
-10371	C12	SLES	1	7.35562	-0.88269	-19.129	CTL3	10368	10372	10373	10374	-0.27	
-10372	H12	SLES	1	7.68086	-1.72229	-18.4758	HAL3	10371	0	0	0	0.09	
-10373	H12	SLES	1	6.24955	-0.787318	-19.0592	HAL3	10371	0	0	0	0.09	
-10374	H12	SLES	1	7.81661	0.0569904	-18.754	HAL3	10371	0	0	0	0.09	
-10375	NA	SLES	1	15.3099	7.97384	-40.6707	NA	0	0	0	0	1	
-10376	S	SLES	1	12.6727	10.2799	-39.6326	SL	10377	10378	10379	10380	1.33	
-10377	OS1	SLES	1	13.209	8.9819	-38.7188	OSL	10376	10381	0	0	-0.28	
-10378	OS2	SLES	1	13.8315	11.1132	-39.8778	O2L	10376	0	0	0	-0.65	
-10379	OS3	SLES	1	12.1936	9.72329	-40.8805	O2L	10376	0	0	0	-0.65	
-10380	OS4	SLES	1	11.6218	11.0651	-39.0053	O2L	10376	0	0	0	-0.65	
-10381	C2	SLES	1	12.6161	9.0323	-37.3527	CC32A	10377	10382	10383	10384	-0.11	
-10382	H2A	SLES	1	12.8394	10.019	-36.859	HCA2	10381	0	0	0	0.09	
-10383	H2B	SLES	1	11.5006	8.91431	-37.4429	HCA2	10381	0	0	0	0.09	
-10384	C1	SLES	1	13.2167	7.83826	-36.4699	CC32A	10381	10385	10386	10387	-0.01	
-10385	H1B	SLES	1	14.3291	7.90237	-36.4522	HCA2	10384	0	0	0	0.09	
-10386	H1A	SLES	1	12.9203	6.85649	-36.9075	HCA2	10384	0	0	0	0.09	
-10387	O1	SLES	1	12.8655	7.72314	-35.0412	OC30A	10384	10388	0	0	-0.34	
-10388	C2	SLES	1	11.6945	8.44443	-34.6042	CC32A	10387	10389	10390	10391	-0.01	
-10389	H2A	SLES	1	11.9752	9.49081	-34.8347	HCA2	10388	0	0	0	0.09	
-10390	H2B	SLES	1	10.9219	8.11141	-35.3333	HCA2	10388	0	0	0	0.09	
-10391	C1	SLES	1	11.1162	8.36815	-33.1561	CC32A	10388	10392	10393	10394	-0.01	
-10392	H1B	SLES	1	11.5679	9.16751	-32.5292	HCA2	10391	0	0	0	0.09	
-10393	H1A	SLES	1	10.0191	8.52211	-33.1916	HCA2	10391	0	0	0	0.09	
-10394	O1	SLES	1	11.3087	7.21596	-32.2739	OC30A	10391	10395	0	0	-0.34	
-10395	C1	SLES	1	10.2203	6.98245	-31.307	CTL2	10394	10396	10397	10398	-0.18	
-10396	H11	SLES	1	9.56069	7.86848	-31.3384	HAL2	10395	0	0	0	0.09	
-10397	H12	SLES	1	9.69131	6.12816	-31.7777	HAL2	10395	0	0	0	0.09	
-10398	C2	SLES	1	10.5695	6.63457	-29.8059	CTL2	10395	10399	10400	10401	-0.18	
-10399	H21	SLES	1	11.6746	6.65339	-29.6749	HAL2	10398	0	0	0	0.09	
-10400	H22	SLES	1	10.2157	5.60442	-29.5819	HAL2	10398	0	0	0	0.09	
-10401	C3	SLES	1	9.90099	7.65887	-28.7655	CTL2	10398	10402	10403	10404	-0.18	
-10402	H31	SLES	1	10.6824	8.35931	-28.3953	HAL2	10401	0	0	0	0.09	
-10403	H32	SLES	1	9.13035	8.25676	-29.2917	HAL2	10401	0	0	0	0.09	
-10404	C4	SLES	1	9.23137	6.93384	-27.5253	CTL2	10401	10405	10406	10407	-0.18	
-10405	H41	SLES	1	9.90694	7.02264	-26.649	HAL2	10404	0	0	0	0.09	
-10406	H42	SLES	1	9.1101	5.8535	-27.7559	HAL2	10404	0	0	0	0.09	
-10407	C5	SLES	1	7.80699	7.5468	-27.1509	CTL2	10404	10408	10409	10410	-0.18	
-10408	H51	SLES	1	7.71222	8.55407	-27.6133	HAL2	10407	0	0	0	0.09	
-10409	H52	SLES	1	7.00905	6.89758	-27.5783	HAL2	10407	0	0	0	0.09	
-10410	C6	SLES	1	7.58395	7.67652	-25.5969	CTL2	10407	10411	10412	10413	-0.18	
-10411	H61	SLES	1	8.21771	8.50452	-25.2072	HAL2	10410	0	0	0	0.09	
-10412	H62	SLES	1	6.51781	7.94108	-25.405	HAL2	10410	0	0	0	0.09	
-10413	C7	SLES	1	7.92892	6.3642	-24.8242	CTL2	10410	10414	10415	10416	-0.18	
-10414	H71	SLES	1	9.02962	6.31216	-24.6709	HAL2	10413	0	0	0	0.09	
-10415	H72	SLES	1	7.62615	5.48859	-25.4406	HAL2	10413	0	0	0	0.09	
-10416	C8	SLES	1	7.22458	6.27982	-23.4471	CTL2	10413	10417	10418	10419	-0.18	
-10417	H81	SLES	1	7.34057	7.25371	-22.9184	HAL2	10416	0	0	0	0.09	
-10418	H82	SLES	1	6.13654	6.10154	-23.6052	HAL2	10416	0	0	0	0.09	
-10419	C9	SLES	1	7.79882	5.1492	-22.557	CTL2	10416	10420	10421	10422	-0.18	
-10420	H91	SLES	1	8.8925	5.31193	-22.4238	HAL2	10419	0	0	0	0.09	
-10421	H92	SLES	1	7.65727	4.17328	-23.0738	HAL2	10419	0	0	0	0.09	
-10422	C10	SLES	1	7.12549	5.08582	-21.1656	CTL2	10419	10423	10424	10425	-0.18	
-10423	H10	SLES	1	7.28704	6.05399	-20.639	HAL2	10422	0	0	0	0.09	
-10424	H10	SLES	1	6.02883	4.94527	-21.2984	HAL2	10422	0	0	0	0.09	
-10425	C11	SLES	1	7.68161	3.933	-20.2883	CTL2	10422	10426	10427	10428	-0.18	
-10426	H11	SLES	1	8.77732	4.08184	-20.1527	HAL2	10425	0	0	0	0.09	
-10427	H11	SLES	1	7.53403	2.96912	-20.8269	HAL2	10425	0	0	0	0.09	
-10428	C12	SLES	1	7.0145	3.83248	-18.8921	CTL3	10425	10429	10430	10431	-0.27	
-10429	H12	SLES	1	7.777	3.94678	-18.0903	HAL3	10428	0	0	0	0.09	
-10430	H12	SLES	1	6.51831	2.8443	-18.771	HAL3	10428	0	0	0	0.09	
-10431	H12	SLES	1	6.24977	4.63025	-18.7701	HAL3	10428	0	0	0	0.09	
-10432	NA	SLES	1	7.53543	16.9191	-40.1129	NA	0	0	0	0	1	
-10433	S	SLES	1	4.29097	15.2644	-39.8195	SL	10434	10435	10436	10437	1.33	
-10434	OS1	SLES	1	5.44088	15.316	-38.602	OSL	10433	10438	0	0	-0.28	
-10435	OS2	SLES	1	3.98712	16.6407	-40.1528	O2L	10433	0	0	0	-0.65	
-10436	OS3	SLES	1	4.92633	14.6139	-40.9464	O2L	10433	0	0	0	-0.65	
-10437	OS4	SLES	1	3.06956	14.5593	-39.4655	O2L	10433	0	0	0	-0.65	
-10438	C2	SLES	1	4.8713	14.7857	-37.3313	CC32A	10434	10439	10440	10441	-0.11	
-10439	H2A	SLES	1	3.9342	15.3437	-37.0528	HCA2	10438	0	0	0	0.09	
-10440	H2B	SLES	1	4.61801	13.6993	-37.4794	HCA2	10438	0	0	0	0.09	
-10441	C1	SLES	1	5.95596	14.9337	-36.1619	CC32A	10438	10442	10443	10444	-0.01	
-10442	H1B	SLES	1	6.27425	15.9979	-36.0726	HCA2	10441	0	0	0	0.09	
-10443	H1A	SLES	1	6.85043	14.3094	-36.3926	HCA2	10441	0	0	0	0.09	
-10444	O1	SLES	1	5.60502	14.572	-34.7749	OC30A	10441	10445	0	0	-0.34	
-10445	C2	SLES	1	4.44534	13.7309	-34.6009	CC32A	10444	10446	10447	10448	-0.01	
-10446	H2A	SLES	1	3.64358	14.3598	-35.0351	HCA2	10445	0	0	0	0.09	
-10447	H2B	SLES	1	4.65505	12.8868	-35.2957	HCA2	10445	0	0	0	0.09	
-10448	C1	SLES	1	3.97679	13.1703	-33.2212	CC32A	10445	10449	10450	10451	-0.01	
-10449	H1B	SLES	1	3.25697	13.8772	-32.754	HCA2	10448	0	0	0	0.09	
-10450	H1A	SLES	1	3.46951	12.1969	-33.375	HCA2	10448	0	0	0	0.09	
-10451	O1	SLES	1	4.88379	12.9509	-32.0934	OC30A	10448	10452	0	0	-0.34	
-10452	C1	SLES	1	4.49664	11.855	-31.1861	CTL2	10451	10453	10454	10455	-0.18	
-10453	H11	SLES	1	3.47214	11.5481	-31.4643	HAL2	10452	0	0	0	0.09	
-10454	H12	SLES	1	5.20329	11.0573	-31.4954	HAL2	10452	0	0	0	0.09	
-10455	C2	SLES	1	4.58022	12.0678	-29.6228	CTL2	10452	10456	10457	10458	-0.18	
-10456	H21	SLES	1	4.91065	13.1099	-29.414	HAL2	10455	0	0	0	0.09	
-10457	H22	SLES	1	5.34373	11.3761	-29.2042	HAL2	10455	0	0	0	0.09	
-10458	C3	SLES	1	3.17523	11.8068	-28.8905	CTL2	10455	10459	10460	10461	-0.18	
-10459	H31	SLES	1	2.71856	12.7863	-28.6253	HAL2	10458	0	0	0	0.09	
-10460	H32	SLES	1	2.49103	11.2922	-29.5943	HAL2	10458	0	0	0	0.09	
-10461	C4	SLES	1	3.31444	10.9319	-27.5762	CTL2	10458	10462	10463	10464	-0.18	
-10462	H41	SLES	1	3.25915	11.6003	-26.6917	HAL2	10461	0	0	0	0.09	
-10463	H42	SLES	1	4.30994	10.4379	-27.5703	HAL2	10461	0	0	0	0.09	
-10464	C5	SLES	1	2.18129	9.8152	-27.4586	CTL2	10461	10465	10466	10467	-0.18	
-10465	H51	SLES	1	1.34104	10.0775	-28.1388	HAL2	10464	0	0	0	0.09	
-10466	H52	SLES	1	2.59917	8.83792	-27.7921	HAL2	10464	0	0	0	0.09	
-10467	C6	SLES	1	1.62206	9.66009	-25.9942	CTL2	10464	10468	10469	10470	-0.18	
-10468	H61	SLES	1	0.994216	10.5462	-25.7498	HAL2	10467	0	0	0	0.09	
-10469	H62	SLES	1	0.971365	8.75565	-25.949	HAL2	10467	0	0	0	0.09	
-10470	C7	SLES	1	2.75264	9.52665	-24.9254	CTL2	10467	10471	10472	10473	-0.18	
-10471	H71	SLES	1	3.14076	10.5399	-24.6795	HAL2	10470	0	0	0	0.09	
-10472	H72	SLES	1	3.59034	8.93259	-25.354	HAL2	10470	0	0	0	0.09	
-10473	C8	SLES	1	2.26498	8.84479	-23.6228	CTL2	10470	10474	10475	10476	-0.18	
-10474	H81	SLES	1	1.29453	9.29799	-23.3158	HAL2	10473	0	0	0	0.09	
-10475	H82	SLES	1	2.09185	7.76257	-23.8214	HAL2	10473	0	0	0	0.09	
-10476	C9	SLES	1	3.28118	8.99042	-22.4624	CTL2	10473	10477	10478	10479	-0.18	
-10477	H91	SLES	1	3.47623	10.0723	-22.2842	HAL2	10476	0	0	0	0.09	
-10478	H92	SLES	1	4.24192	8.51263	-22.7594	HAL2	10476	0	0	0	0.09	
-10479	C10	SLES	1	2.78166	8.34504	-21.1481	CTL2	10476	10480	10481	10482	-0.18	
-10480	H10	SLES	1	1.83249	8.83888	-20.8383	HAL2	10479	0	0	0	0.09	
-10481	H10	SLES	1	2.56531	7.26813	-21.3311	HAL2	10479	0	0	0	0.09	
-10482	C11	SLES	1	3.81485	8.46584	-19.9967	CTL2	10479	10483	10484	10485	-0.18	
-10483	H11	SLES	1	4.02268	9.5448	-19.8129	HAL2	10482	0	0	0	0.09	
-10484	H11	SLES	1	4.76771	7.98653	-20.318	HAL2	10482	0	0	0	0.09	
-10485	C12	SLES	1	3.35012	7.81328	-18.669	CTL3	10482	10486	10487	10488	-0.27	
-10486	H12	SLES	1	3.31888	8.57163	-17.8558	HAL3	10485	0	0	0	0.09	
-10487	H12	SLES	1	4.05087	7.0025	-18.3708	HAL3	10485	0	0	0	0.09	
-10488	H12	SLES	1	2.33391	7.37783	-18.7866	HAL3	10485	0	0	0	0.09	
-10489	NA	SLES	1	-5.36681	18.4212	-39.7987	NA	0	0	0	0	1	
-10490	S	SLES	1	-4.97532	14.7904	-39.9187	SL	10491	10492	10493	10494	1.33	
-10491	OS1	SLES	1	-4.87546	15.7076	-38.5201	OSL	10490	10495	0	0	-0.28	
-10492	OS2	SLES	1	-6.28247	15.0508	-40.4853	O2L	10490	0	0	0	-0.65	
-10493	OS3	SLES	1	-3.94593	15.293	-40.8043	O2L	10490	0	0	0	-0.65	
-10494	OS4	SLES	1	-4.7991	13.3613	-39.716	O2L	10490	0	0	0	-0.65	
-10495	C2	SLES	1	-4.82072	14.8207	-37.324	CC32A	10491	10496	10497	10498	-0.11	
-10496	H2A	SLES	1	-5.70134	14.1197	-37.3088	HCA2	10495	0	0	0	0.09	
-10497	H2B	SLES	1	-3.87359	14.215	-37.3715	HCA2	10495	0	0	0	0.09	
-10498	C1	SLES	1	-4.82234	15.719	-35.9977	CC32A	10495	10499	10500	10501	-0.01	
-10499	H1B	SLES	1	-5.71603	16.3846	-35.9918	HCA2	10498	0	0	0	0.09	
-10500	H1A	SLES	1	-3.90391	16.3503	-35.9657	HCA2	10498	0	0	0	0.09	
-10501	O1	SLES	1	-4.873	15.0791	-34.6688	OC30A	10498	10502	0	0	-0.34	
-10502	C2	SLES	1	-4.51593	13.682	-34.6111	CC32A	10501	10503	10504	10505	-0.01	
-10503	H2A	SLES	1	-5.27932	13.2268	-35.2721	HCA2	10502	0	0	0	0.09	
-10504	H2B	SLES	1	-3.53282	13.6641	-35.1331	HCA2	10502	0	0	0	0.09	
-10505	C1	SLES	1	-4.42069	12.8629	-33.2855	CC32A	10502	10506	10507	10508	-0.01	
-10506	H1B	SLES	1	-5.4028	12.3908	-33.0648	HCA2	10505	0	0	0	0.09	
-10507	H1A	SLES	1	-3.66116	12.0641	-33.4027	HCA2	10505	0	0	0	0.09	
-10508	O1	SLES	1	-4.13414	13.4701	-31.9848	OC30A	10505	10509	0	0	-0.34	
-10509	C1	SLES	1	-3.42645	12.5962	-31.0311	CTL2	10508	10510	10511	10512	-0.18	
-10510	H11	SLES	1	-3.43025	11.5771	-31.4583	HAL2	10509	0	0	0	0.09	
-10511	H12	SLES	1	-2.39536	13.0022	-31.0886	HAL2	10509	0	0	0	0.09	
-10512	C2	SLES	1	-3.89691	12.5411	-29.5238	CTL2	10509	10513	10514	10515	-0.18	
-10513	H21	SLES	1	-4.78927	13.194	-29.3964	HAL2	10512	0	0	0	0.09	
-10514	H22	SLES	1	-3.08529	12.9405	-28.877	HAL2	10512	0	0	0	0.09	
-10515	C3	SLES	1	-4.26473	11.0521	-29.0483	CTL2	10512	10516	10517	10518	-0.18	
-10516	H31	SLES	1	-5.37199	10.9483	-29.0097	HAL2	10515	0	0	0	0.09	
-10517	H32	SLES	1	-3.88146	10.3291	-29.7957	HAL2	10515	0	0	0	0.09	
-10518	C4	SLES	1	-3.66455	10.6893	-27.6269	CTL2	10515	10519	10520	10521	-0.18	
-10519	H41	SLES	1	-4.47068	10.7611	-26.8672	HAL2	10518	0	0	0	0.09	
-10520	H42	SLES	1	-2.87861	11.4294	-27.363	HAL2	10518	0	0	0	0.09	
-10521	C5	SLES	1	-3.03343	9.22495	-27.5821	CTL2	10518	10522	10523	10524	-0.18	
-10522	H51	SLES	1	-3.42375	8.63489	-28.4405	HAL2	10521	0	0	0	0.09	
-10523	H52	SLES	1	-1.92792	9.30287	-27.6949	HAL2	10521	0	0	0	0.09	
-10524	C6	SLES	1	-3.359	8.45698	-26.2458	CTL2	10521	10525	10526	10527	-0.18	
-10525	H61	SLES	1	-4.43296	8.16428	-26.248	HAL2	10524	0	0	0	0.09	
-10526	H62	SLES	1	-2.74931	7.52413	-26.2066	HAL2	10524	0	0	0	0.09	
-10527	C7	SLES	1	-3.06607	9.30954	-24.9708	CTL2	10524	10528	10529	10530	-0.18	
-10528	H71	SLES	1	-3.91973	10.0003	-24.7923	HAL2	10527	0	0	0	0.09	
-10529	H72	SLES	1	-2.15631	9.92589	-25.1462	HAL2	10527	0	0	0	0.09	
-10530	C8	SLES	1	-2.85037	8.43931	-23.7076	CTL2	10527	10531	10532	10533	-0.18	
-10531	H81	SLES	1	-3.65079	7.66589	-23.6571	HAL2	10530	0	0	0	0.09	
-10532	H82	SLES	1	-1.87064	7.91579	-23.7893	HAL2	10530	0	0	0	0.09	
-10533	C9	SLES	1	-2.87079	9.27468	-22.403	CTL2	10530	10534	10535	10536	-0.18	
-10534	H91	SLES	1	-3.839	9.82106	-22.3368	HAL2	10533	0	0	0	0.09	
-10535	H92	SLES	1	-2.05283	10.0289	-22.4422	HAL2	10533	0	0	0	0.09	
-10536	C10	SLES	1	-2.69495	8.4051	-21.1356	CTL2	10533	10537	10538	10539	-0.18	
-10537	H10	SLES	1	-3.52635	7.6656	-21.0837	HAL2	10536	0	0	0	0.09	
-10538	H10	SLES	1	-1.73751	7.84151	-21.2112	HAL2	10536	0	0	0	0.09	
-10539	C11	SLES	1	-2.68508	9.24839	-19.833	CTL2	10536	10540	10541	10542	-0.18	
-10540	H11	SLES	1	-3.64738	9.80475	-19.7585	HAL2	10539	0	0	0	0.09	
-10541	H11	SLES	1	-1.86363	9.99808	-19.8973	HAL2	10539	0	0	0	0.09	
-10542	C12	SLES	1	-2.49363	8.40655	-18.5449	CTL3	10539	10543	10544	10545	-0.27	
-10543	H12	SLES	1	-3.36103	8.54244	-17.8619	HAL3	10542	0	0	0	0.09	
-10544	H12	SLES	1	-1.56968	8.72114	-18.0113	HAL3	10542	0	0	0	0.09	
-10545	H12	SLES	1	-2.40701	7.3272	-18.7971	HAL3	10542	0	0	0	0.09	
-10546	NA	SLES	1	-15.9985	10.4043	-39.8482	NA	0	0	0	0	1	
-10547	S	SLES	1	-12.4554	9.51287	-39.8921	SL	10548	10549	10550	10551	1.33	
-10548	OS1	SLES	1	-13.3886	9.6156	-38.5043	OSL	10547	10552	0	0	-0.28	
-10549	OS2	SLES	1	-13.1027	8.54064	-40.7484	O2L	10547	0	0	0	-0.65	
-10550	OS3	SLES	1	-12.5049	10.8221	-40.5086	O2L	10547	0	0	0	-0.65	
-10551	OS4	SLES	1	-11.0726	9.12673	-39.6613	O2L	10547	0	0	0	-0.65	
-10552	C2	SLES	1	-12.6321	9.089	-37.3335	CC32A	10548	10553	10554	10555	-0.11	
-10553	H2A	SLES	1	-12.2783	8.03844	-37.5292	HCA2	10552	0	0	0	0.09	
-10554	H2B	SLES	1	-11.737	9.74863	-37.1606	HCA2	10552	0	0	0	0.09	
-10555	C1	SLES	1	-13.5767	9.10877	-36.04	CC32A	10552	10556	10557	10558	-0.01	
-10556	H1B	SLES	1	-14.5063	8.52799	-36.2405	HCA2	10555	0	0	0	0.09	
-10557	H1A	SLES	1	-13.856	10.1588	-35.7899	HCA2	10555	0	0	0	0.09	
-10558	O1	SLES	1	-13.098	8.54355	-34.7635	OC30A	10555	10559	0	0	-0.34	
-10559	C2	SLES	1	-11.672	8.36531	-34.631	CC32A	10558	10560	10561	10562	-0.01	
-10560	H2A	SLES	1	-11.4558	7.65755	-35.4551	HCA2	10559	0	0	0	0.09	
-10561	H2B	SLES	1	-11.2782	9.36916	-34.9077	HCA2	10559	0	0	0	0.09	
-10562	C1	SLES	1	-10.9752	7.87064	-33.3244	CC32A	10559	10563	10564	10565	-0.01	
-10563	H1B	SLES	1	-10.8865	6.76256	-33.343	HCA2	10562	0	0	0	0.09	
-10564	H1A	SLES	1	-9.95822	8.3073	-33.2643	HCA2	10562	0	0	0	0.09	
-10565	O1	SLES	1	-11.5467	8.05613	-31.9896	OC30A	10562	10566	0	0	-0.34	
-10566	C1	SLES	1	-10.5602	8.18188	-30.9011	CTL2	10565	10567	10568	10569	-0.18	
-10567	H11	SLES	1	-9.57399	7.91543	-31.3225	HAL2	10566	0	0	0	0.09	
-10568	H12	SLES	1	-10.5829	9.27518	-30.7127	HAL2	10566	0	0	0	0.09	
-10569	C2	SLES	1	-10.7865	7.4004	-29.5467	CTL2	10566	10570	10571	10572	-0.18	
-10570	H21	SLES	1	-11.7132	6.78942	-29.6289	HAL2	10569	0	0	0	0.09	
-10571	H22	SLES	1	-10.9328	8.13559	-28.7253	HAL2	10569	0	0	0	0.09	
-10572	C3	SLES	1	-9.55504	6.4378	-29.1787	CTL2	10569	10573	10574	10575	-0.18	
-10573	H31	SLES	1	-9.83989	5.38546	-29.4017	HAL2	10572	0	0	0	0.09	
-10574	H32	SLES	1	-8.68884	6.69842	-29.819	HAL2	10572	0	0	0	0.09	
-10575	C4	SLES	1	-9.1202	6.54144	-27.6581	CTL2	10572	10576	10577	10578	-0.18	
-10576	H41	SLES	1	-9.52224	5.66481	-27.1085	HAL2	10575	0	0	0	0.09	
-10577	H42	SLES	1	-9.56459	7.45768	-27.2131	HAL2	10575	0	0	0	0.09	
-10578	C5	SLES	1	-7.53641	6.59176	-27.474	CTL2	10575	10579	10580	10581	-0.18	
-10579	H51	SLES	1	-7.0509	6.21985	-28.4032	HAL2	10578	0	0	0	0.09	
-10580	H52	SLES	1	-7.22219	7.64988	-27.3238	HAL2	10578	0	0	0	0.09	
-10581	C6	SLES	1	-7.03242	5.72983	-26.2557	CTL2	10578	10582	10583	10584	-0.18	
-10582	H61	SLES	1	-7.1258	4.65052	-26.5115	HAL2	10581	0	0	0	0.09	
-10583	H62	SLES	1	-5.95327	5.94844	-26.0793	HAL2	10581	0	0	0	0.09	
-10584	C7	SLES	1	-7.82939	6.01292	-24.943	CTL2	10581	10585	10586	10587	-0.18	
-10585	H71	SLES	1	-8.78227	5.43913	-24.9663	HAL2	10584	0	0	0	0.09	
-10586	H72	SLES	1	-8.0815	7.0958	-24.8967	HAL2	10584	0	0	0	0.09	
-10587	C8	SLES	1	-7.0387	5.62374	-23.6691	CTL2	10584	10588	10589	10590	-0.18	
-10588	H81	SLES	1	-6.59239	4.61291	-23.8121	HAL2	10587	0	0	0	0.09	
-10589	H82	SLES	1	-6.20678	6.34946	-23.5213	HAL2	10587	0	0	0	0.09	
-10590	C9	SLES	1	-7.92914	5.60915	-22.4013	CTL2	10587	10591	10592	10593	-0.18	
-10591	H91	SLES	1	-8.77731	4.90536	-22.5614	HAL2	10590	0	0	0	0.09	
-10592	H92	SLES	1	-8.35237	6.62672	-22.2435	HAL2	10590	0	0	0	0.09	
-10593	C10	SLES	1	-7.15302	5.183	-21.1327	CTL2	10590	10594	10595	10596	-0.18	
-10594	H10	SLES	1	-6.74919	4.15558	-21.2814	HAL2	10593	0	0	0	0.09	
-10595	H10	SLES	1	-6.29168	5.87302	-20.9844	HAL2	10593	0	0	0	0.09	
-10596	C11	SLES	1	-8.04034	5.1992	-19.8598	CTL2	10593	10597	10598	10599	-0.18	
-10597	H11	SLES	1	-8.89649	4.50246	-20.0104	HAL2	10596	0	0	0	0.09	
-10598	H11	SLES	1	-8.45616	6.22388	-19.7254	HAL2	10596	0	0	0	0.09	
-10599	C12	SLES	1	-7.28646	4.7924	-18.5672	CTL3	10596	10600	10601	10602	-0.27	
-10600	H12	SLES	1	-7.76362	3.89955	-18.1062	HAL3	10599	0	0	0	0.09	
-10601	H12	SLES	1	-7.30616	5.62512	-17.83	HAL3	10599	0	0	0	0.09	
-10602	H12	SLES	1	-6.22656	4.54832	-18.7978	HAL3	10599	0	0	0	0.09	
-10603	NA	SLES	1	-18.1068	-2.18434	-40.2425	NA	0	0	0	0	1	
-10604	S	SLES	1	-16.0113	0.768073	-39.75	SL	10605	10606	10607	10608	1.33	
-10605	OS1	SLES	1	-16.3473	-0.363386	-38.5607	OSL	10604	10609	0	0	-0.28	
-10606	OS2	SLES	1	-15.3953	0.0424865	-40.8416	O2L	10604	0	0	0	-0.65	
-10607	OS3	SLES	1	-17.2899	1.30044	-40.1722	O2L	10604	0	0	0	-0.65	
-10608	OS4	SLES	1	-15.1411	1.85171	-39.3222	O2L	10604	0	0	0	-0.65	
-10609	C2	SLES	1	-15.507	-0.111291	-37.3563	CC32A	10605	10610	10611	10612	-0.11	
-10610	H2A	SLES	1	-14.4152	-0.0958529	-37.6299	HCA2	10609	0	0	0	0.09	
-10611	H2B	SLES	1	-15.7892	0.889903	-36.9271	HCA2	10609	0	0	0	0.09	
-10612	C1	SLES	1	-15.7762	-1.25975	-36.2726	CC32A	10609	10613	10614	10615	-0.01	
-10613	H1B	SLES	1	-15.5816	-2.2599	-36.7238	HCA2	10612	0	0	0	0.09	
-10614	H1A	SLES	1	-16.8372	-1.2194	-35.9323	HCA2	10612	0	0	0	0.09	
-10615	O1	SLES	1	-14.9923	-1.29844	-35.0228	OC30A	10612	10616	0	0	-0.34	
-10616	C2	SLES	1	-14.3069	-0.0835074	-34.6529	CC32A	10615	10617	10618	10619	-0.01	
-10617	H2A	SLES	1	-13.626	0.0623772	-35.5143	HCA2	10616	0	0	0	0.09	
-10618	H2B	SLES	1	-15.1195	0.675615	-34.7055	HCA2	10616	0	0	0	0.09	
-10619	C1	SLES	1	-13.5086	0.0942148	-33.3231	CC32A	10616	10620	10621	10622	-0.01	
-10620	H1B	SLES	1	-12.4461	-0.192016	-33.4823	HCA2	10619	0	0	0	0.09	
-10621	H1A	SLES	1	-13.5472	1.15752	-33.0125	HCA2	10619	0	0	0	0.09	
-10622	O1	SLES	1	-13.7958	-0.666656	-32.106	OC30A	10619	10623	0	0	-0.34	
-10623	C1	SLES	1	-13.4862	0.0332149	-30.8457	CTL2	10622	10624	10625	10626	-0.18	
-10624	H11	SLES	1	-12.9136	0.940877	-31.109	HAL2	10623	0	0	0	0.09	
-10625	H12	SLES	1	-14.4998	0.336632	-30.5113	HAL2	10623	0	0	0	0.09	
-10626	C2	SLES	1	-12.748	-0.740536	-29.6827	CTL2	10623	10627	10628	10629	-0.18	
-10627	H21	SLES	1	-12.5163	-1.77472	-30.0226	HAL2	10626	0	0	0	0.09	
-10628	H22	SLES	1	-13.4296	-0.812638	-28.807	HAL2	10626	0	0	0	0.09	
-10629	C3	SLES	1	-11.3859	-0.0194775	-29.2319	CTL2	10626	10630	10631	10632	-0.18	
-10630	H31	SLES	1	-10.5229	-0.582784	-29.6516	HAL2	10629	0	0	0	0.09	
-10631	H32	SLES	1	-11.3618	1.00439	-29.6554	HAL2	10629	0	0	0	0.09	
-10632	C4	SLES	1	-11.2241	0.0710401	-27.6578	CTL2	10629	10633	10634	10635	-0.18	
-10633	H41	SLES	1	-10.5145	-0.714336	-27.3234	HAL2	10632	0	0	0	0.09	
-10634	H42	SLES	1	-12.2064	-0.128388	-27.1779	HAL2	10632	0	0	0	0.09	
-10635	C5	SLES	1	-10.6916	1.49546	-27.1758	CTL2	10632	10636	10637	10638	-0.18	
-10636	H51	SLES	1	-10.2342	2.02394	-28.0412	HAL2	10635	0	0	0	0.09	
-10637	H52	SLES	1	-11.5544	2.10392	-26.8205	HAL2	10635	0	0	0	0.09	
-10638	C6	SLES	1	-9.62624	1.39347	-26.02	CTL2	10635	10639	10640	10641	-0.18	
-10639	H61	SLES	1	-8.67178	1.00367	-26.4397	HAL2	10638	0	0	0	0.09	
-10640	H62	SLES	1	-9.43165	2.41437	-25.6158	HAL2	10638	0	0	0	0.09	
-10641	C7	SLES	1	-10.0865	0.464015	-24.8527	CTL2	10638	10642	10643	10644	-0.18	
-10642	H71	SLES	1	-9.8948	-0.594905	-25.135	HAL2	10641	0	0	0	0.09	
-10643	H72	SLES	1	-11.1821	0.586053	-24.7007	HAL2	10641	0	0	0	0.09	
-10644	C8	SLES	1	-9.35503	0.770338	-23.522	CTL2	10641	10645	10646	10647	-0.18	
-10645	H81	SLES	1	-8.26356	0.871867	-23.7215	HAL2	10644	0	0	0	0.09	
-10646	H82	SLES	1	-9.72314	1.74153	-23.1197	HAL2	10644	0	0	0	0.09	
-10647	C9	SLES	1	-9.57457	-0.334343	-22.4582	CTL2	10644	10648	10649	10650	-0.18	
-10648	H91	SLES	1	-9.23355	-1.31029	-22.8724	HAL2	10647	0	0	0	0.09	
-10649	H92	SLES	1	-10.6631	-0.415843	-22.239	HAL2	10647	0	0	0	0.09	
-10650	C10	SLES	1	-8.81423	-0.0525604	-21.1407	CTL2	10647	10651	10652	10653	-0.18	
-10651	H10	SLES	1	-7.72289	0.00582877	-21.3559	HAL2	10650	0	0	0	0.09	
-10652	H10	SLES	1	-9.13853	0.933459	-20.7374	HAL2	10650	0	0	0	0.09	
-10653	C11	SLES	1	-9.06098	-1.14523	-20.0668	CTL2	10650	10654	10655	10656	-0.18	
-10654	H11	SLES	1	-8.72873	-2.12824	-20.4723	HAL2	10653	0	0	0	0.09	
-10655	H11	SLES	1	-10.155	-1.21228	-19.8681	HAL2	10653	0	0	0	0.09	
-10656	C12	SLES	1	-8.325	-0.88269	-18.7274	CTL3	10653	10657	10658	10659	-0.27	
-10657	H12	SLES	1	-7.63316	-1.72229	-18.4955	HAL3	10656	0	0	0	0.09	
-10658	H12	SLES	1	-9.05779	-0.787318	-17.896	HAL3	10656	0	0	0	0.09	
-10659	H12	SLES	1	-7.73388	0.0569904	-18.7882	HAL3	10656	0	0	0	0.09	
-10660	NA	SLES	1	-12.0018	-11.8692	-40.8309	NA	0	0	0	0	1	
-10661	S	SLES	1	-13.8607	-8.99778	-39.5466	SL	10662	10663	10664	10665	1.33	
-10662	OS1	SLES	1	-12.7237	-9.8593	-38.6678	OSL	10661	10666	0	0	-0.28	
-10663	OS2	SLES	1	-13.1804	-8.51214	-40.7293	O2L	10661	0	0	0	-0.65	
-10664	OS3	SLES	1	-14.8843	-9.94997	-39.9236	O2L	10661	0	0	0	-0.65	
-10665	OS4	SLES	1	-14.4607	-7.88491	-38.8283	O2L	10661	0	0	0	-0.65	
-10666	C2	SLES	1	-12.4285	-9.16363	-37.3836	CC32A	10662	10667	10668	10669	-0.11	
-10667	H2A	SLES	1	-12.1029	-8.10272	-37.5723	HCA2	10666	0	0	0	0.09	
-10668	H2B	SLES	1	-13.3653	-9.15183	-36.7602	HCA2	10666	0	0	0	0.09	
-10669	C1	SLES	1	-11.2717	-9.9536	-36.6067	CC32A	10666	10670	10671	10672	-0.01	
-10670	H1B	SLES	1	-10.3714	-10.0436	-37.2572	HCA2	10669	0	0	0	0.09	
-10671	H1A	SLES	1	-11.6248	-10.9766	-36.3385	HCA2	10669	0	0	0	0.09	
-10672	O1	SLES	1	-10.7222	-9.41433	-35.3477	OC30A	10669	10673	0	0	-0.34	
-10673	C2	SLES	1	-11.5192	-8.42131	-34.6685	CC32A	10672	10674	10675	10676	-0.01	
-10674	H2A	SLES	1	-11.5699	-7.61572	-35.427	HCA2	10673	0	0	0	0.09	
-10675	H2B	SLES	1	-12.5144	-8.91607	-34.6037	HCA2	10673	0	0	0	0.09	
-10676	C1	SLES	1	-11.1476	-7.80746	-33.2821	CC32A	10673	10677	10678	10679	-0.01	
-10677	H1B	SLES	1	-10.5352	-6.89133	-33.4294	HCA2	10676	0	0	0	0.09	
-10678	H1A	SLES	1	-12.0762	-7.53103	-32.7435	HCA2	10676	0	0	0	0.09	
-10679	O1	SLES	1	-10.3269	-8.50321	-32.2895	OC30A	10676	10680	0	0	-0.34	
-10680	C1	SLES	1	-10.6209	-8.15961	-30.8861	CTL2	10679	10681	10682	10683	-0.18	
-10681	H11	SLES	1	-11.2955	-7.28444	-30.8993	HAL2	10680	0	0	0	0.09	
-10682	H12	SLES	1	-11.1989	-9.04942	-30.5613	HAL2	10680	0	0	0	0.09	
-10683	C2	SLES	1	-9.43151	-7.89702	-29.8798	CTL2	10680	10684	10685	10686	-0.18	
-10684	H21	SLES	1	-8.46595	-7.97961	-30.4273	HAL2	10683	0	0	0	0.09	
-10685	H22	SLES	1	-9.44591	-8.68057	-29.0909	HAL2	10683	0	0	0	0.09	
-10686	C3	SLES	1	-9.5194	-6.45087	-29.1875	CTL2	10683	10687	10688	10689	-0.18	
-10687	H31	SLES	1	-8.77356	-5.77629	-29.6639	HAL2	10686	0	0	0	0.09	
-10688	H32	SLES	1	-10.5266	-6.02484	-29.3672	HAL2	10686	0	0	0	0.09	
-10689	C4	SLES	1	-9.25018	-6.4938	-27.6261	CTL2	10686	10690	10691	10692	-0.18	
-10690	H41	SLES	1	-8.21521	-6.14387	-27.4299	HAL2	10689	0	0	0	0.09	
-10691	H42	SLES	1	-9.32968	-7.54378	-27.2708	HAL2	10689	0	0	0	0.09	
-10692	C5	SLES	1	-10.2727	-5.58885	-26.8013	CTL2	10689	10693	10694	10695	-0.18	
-10693	H51	SLES	1	-10.7541	-4.86253	-27.4927	HAL2	10692	0	0	0	0.09	
-10694	H52	SLES	1	-11.0718	-6.23892	-26.3773	HAL2	10692	0	0	0	0.09	
-10695	C6	SLES	1	-9.58207	-4.79533	-25.6288	CTL2	10692	10696	10697	10698	-0.18	
-10696	H61	SLES	1	-8.96223	-3.97743	-26.06	HAL2	10695	0	0	0	0.09	
-10697	H62	SLES	1	-10.3709	-4.32928	-24.9931	HAL2	10695	0	0	0	0.09	
-10698	C7	SLES	1	-8.67841	-5.70173	-24.7343	CTL2	10695	10699	10700	10701	-0.18	
-10699	H71	SLES	1	-7.69376	-5.83809	-25.2339	HAL2	10698	0	0	0	0.09	
-10700	H72	SLES	1	-9.15381	-6.70277	-24.633	HAL2	10698	0	0	0	0.09	
-10701	C8	SLES	1	-8.4482	-5.10712	-23.3226	CTL2	10698	10702	10703	10704	-0.18	
-10702	H81	SLES	1	-8.18766	-4.02821	-23.4199	HAL2	10701	0	0	0	0.09	
-10703	H82	SLES	1	-9.39329	-5.18153	-22.7378	HAL2	10701	0	0	0	0.09	
-10704	C9	SLES	1	-7.31738	-5.83337	-22.5518	CTL2	10701	10705	10706	10707	-0.18	
-10705	H91	SLES	1	-6.37986	-5.78408	-23.1509	HAL2	10704	0	0	0	0.09	
-10706	H92	SLES	1	-7.59149	-6.9056	-22.4306	HAL2	10704	0	0	0	0.09	
-10707	C10	SLES	1	-7.05685	-5.21825	-21.1564	CTL2	10704	10708	10709	10710	-0.18	
-10708	H10	SLES	1	-6.75985	-4.15167	-21.2788	HAL2	10707	0	0	0	0.09	
-10709	H10	SLES	1	-7.99965	-5.24702	-20.5645	HAL2	10707	0	0	0	0.09	
-10710	C11	SLES	1	-5.94489	-5.96723	-20.375	CTL2	10707	10711	10712	10713	-0.18	
-10711	H11	SLES	1	-5.00242	-5.92973	-20.9678	HAL2	10710	0	0	0	0.09	
-10712	H11	SLES	1	-6.23804	-7.03687	-20.2708	HAL2	10710	0	0	0	0.09	
-10713	C12	SLES	1	-5.67139	-5.38436	-18.9643	CTL3	10710	10714	10715	10716	-0.27	
-10714	H12	SLES	1	-4.61231	-5.05457	-18.8811	HAL3	10713	0	0	0	0.09	
-10715	H12	SLES	1	-5.86559	-6.15312	-18.1842	HAL3	10713	0	0	0	0.09	
-10716	H12	SLES	1	-6.33084	-4.5101	-18.7721	HAL3	10713	0	0	0	0.09	
-10717	NA	SLES	1	-2.89669	-15.1877	-41.3887	NA	0	0	0	0	1	
-10718	S	SLES	1	-5.84388	-15.9274	-39.3596	SL	10719	10720	10721	10722	1.33	
-10719	OS1	SLES	1	-4.46453	-15.1697	-38.7846	OSL	10718	10723	0	0	-0.28	
-10720	OS2	SLES	1	-6.33052	-15.1137	-40.4544	O2L	10718	0	0	0	-0.65	
-10721	OS3	SLES	1	-5.41651	-17.2181	-39.8577	O2L	10718	0	0	0	-0.65	
-10722	OS4	SLES	1	-6.89306	-16.1025	-38.3681	O2L	10718	0	0	0	-0.65	
-10723	C2	SLES	1	-4.69486	-14.656	-37.405	CC32A	10719	10724	10725	10726	-0.11	
-10724	H2A	SLES	1	-5.59294	-13.9778	-37.3786	HCA2	10723	0	0	0	0.09	
-10725	H2B	SLES	1	-4.87992	-15.5323	-36.7238	HCA2	10723	0	0	0	0.09	
-10726	C1	SLES	1	-3.39778	-13.8541	-36.9147	CC32A	10723	10727	10728	10729	-0.01	
-10727	H1B	SLES	1	-3.16048	-13.0392	-37.6368	HCA2	10726	0	0	0	0.09	
-10728	H1A	SLES	1	-2.52498	-14.5452	-36.8534	HCA2	10726	0	0	0	0.09	
-10729	O1	SLES	1	-3.40468	-13.157	-35.614	OC30A	10726	10730	0	0	-0.34	
-10730	C2	SLES	1	-4.4215	-13.5584	-34.6719	CC32A	10729	10731	10732	10733	-0.01	
-10731	H2A	SLES	1	-5.34985	-13.3191	-35.2266	HCA2	10730	0	0	0	0.09	
-10732	H2B	SLES	1	-4.29682	-14.6643	-34.6413	HCA2	10730	0	0	0	0.09	
-10733	C1	SLES	1	-4.52723	-13.0023	-33.2169	CC32A	10730	10734	10735	10736	-0.01	
-10734	H1B	SLES	1	-5.18566	-12.1066	-33.2046	HCA2	10733	0	0	0	0.09	
-10735	H1A	SLES	1	-4.97013	-13.7776	-32.5602	HCA2	10733	0	0	0	0.09	
-10736	O1	SLES	1	-3.38027	-12.4833	-32.47	OC30A	10733	10737	0	0	-0.34	
-10737	C1	SLES	1	-3.46401	-12.6454	-31.0069	CTL2	10736	10738	10739	10740	-0.18	
-10738	H11	SLES	1	-4.49423	-12.9699	-30.7734	HAL2	10737	0	0	0	0.09	
-10739	H12	SLES	1	-2.77603	-13.5006	-30.8436	HAL2	10737	0	0	0	0.09	
-10740	C2	SLES	1	-3.05949	-11.4448	-30.0629	CTL2	10737	10741	10742	10743	-0.18	
-10741	H21	SLES	1	-2.78237	-10.5668	-30.6882	HAL2	10740	0	0	0	0.09	
-10742	H22	SLES	1	-2.16633	-11.7375	-29.4686	HAL2	10740	0	0	0	0.09	
-10743	C3	SLES	1	-4.2427	-11.0233	-29.0625	CTL2	10740	10744	10745	10746	-0.18	
-10744	H31	SLES	1	-4.71296	-10.0856	-29.4339	HAL2	10743	0	0	0	0.09	
-10745	H32	SLES	1	-5.01725	-11.8159	-29.0646	HAL2	10743	0	0	0	0.09	
-10746	C4	SLES	1	-3.74489	-10.7945	-27.5752	CTL2	10743	10747	10748	10749	-0.18	
-10747	H41	SLES	1	-3.66289	-9.70361	-27.3872	HAL2	10746	0	0	0	0.09	
-10748	H42	SLES	1	-2.73342	-11.2393	-27.4564	HAL2	10746	0	0	0	0.09	
-10749	C5	SLES	1	-4.72453	-11.4387	-26.4935	CTL2	10746	10750	10751	10752	-0.18	
-10750	H51	SLES	1	-5.71248	-11.631	-26.9673	HAL2	10749	0	0	0	0.09	
-10751	H52	SLES	1	-4.3071	-12.4174	-26.1634	HAL2	10749	0	0	0	0.09	
-10752	C6	SLES	1	-4.93477	-10.5198	-25.2315	CTL2	10749	10753	10754	10755	-0.18	
-10753	H61	SLES	1	-5.56794	-9.65004	-25.5174	HAL2	10752	0	0	0	0.09	
-10754	H62	SLES	1	-5.47954	-11.0982	-24.4491	HAL2	10752	0	0	0	0.09	
-10755	C7	SLES	1	-3.59079	-9.99644	-24.6331	CTL2	10752	10756	10757	10758	-0.18	
-10756	H71	SLES	1	-3.247	-9.11965	-25.2253	HAL2	10755	0	0	0	0.09	
-10757	H72	SLES	1	-2.81903	-10.7934	-24.7196	HAL2	10755	0	0	0	0.09	
-10758	C8	SLES	1	-3.72149	-9.57967	-23.1469	CTL2	10755	10759	10760	10761	-0.18	
-10759	H81	SLES	1	-4.63672	-8.95654	-23.0225	HAL2	10758	0	0	0	0.09	
-10760	H82	SLES	1	-3.84001	-10.4938	-22.5217	HAL2	10758	0	0	0	0.09	
-10761	C9	SLES	1	-2.4927	-8.77975	-22.6463	CTL2	10758	10762	10763	10764	-0.18	
-10762	H91	SLES	1	-2.35729	-7.8814	-23.2905	HAL2	10761	0	0	0	0.09	
-10763	H92	SLES	1	-1.58259	-9.41336	-22.7449	HAL2	10761	0	0	0	0.09	
-10764	C10	SLES	1	-2.63551	-8.32729	-21.1738	CTL2	10761	10765	10766	10767	-0.18	
-10765	H10	SLES	1	-3.53294	-7.67423	-21.0795	HAL2	10764	0	0	0	0.09	
-10766	H10	SLES	1	-2.7931	-9.22334	-20.5317	HAL2	10764	0	0	0	0.09	
-10767	C11	SLES	1	-1.39001	-7.55307	-20.6666	CTL2	10764	10768	10769	10770	-0.18	
-10768	H11	SLES	1	-1.24071	-6.65426	-21.3077	HAL2	10767	0	0	0	0.09	
-10769	H11	SLES	1	-0.492755	-8.20351	-20.7797	HAL2	10767	0	0	0	0.09	
-10770	C12	SLES	1	-1.49546	-7.09987	-19.1874	CTL3	10767	10771	10772	10773	-0.27	
-10771	H12	SLES	1	-1.41341	-5.99287	-19.1155	HAL3	10770	0	0	0	0.09	
-10772	H12	SLES	1	-0.679356	-7.55565	-18.5844	HAL3	10770	0	0	0	0.09	
-10773	H12	SLES	1	-2.47146	-7.41156	-18.7557	HAL3	10770	0	0	0	0.09	
-10774	NA	SLES	1	5.06532	-13.6855	-41.7029	NA	0	0	0	0	1	
-10775	S	SLES	1	5.15953	-16.4015	-39.2605	SL	10776	10777	10778	10779	1.33	
-10776	OS1	SLES	1	5.02995	-14.7781	-38.8665	OSL	10775	10780	0	0	-0.28	
-10777	OS2	SLES	1	4.03517	-16.7036	-40.1218	O2L	10775	0	0	0	-0.65	
-10778	OS3	SLES	1	6.39691	-16.539	-39.9997	O2L	10775	0	0	0	-0.65	
-10779	OS4	SLES	1	5.16353	-17.3005	-38.1176	O2L	10775	0	0	0	-0.65	
-10780	C2	SLES	1	4.74545	-14.6209	-37.4123	CC32A	10776	10781	10782	10783	-0.11	
-10781	H2A	SLES	1	3.8258	-15.2018	-37.1226	HCA2	10780	0	0	0	0.09	
-10782	H2B	SLES	1	5.62434	-15.0167	-36.8316	HCA2	10780	0	0	0	0.09	
-10783	C1	SLES	1	4.53139	-13.0689	-37.0789	CC32A	10780	10784	10785	10786	-0.01	
-10784	H1B	SLES	1	3.71869	-12.6525	-37.7176	HCA2	10783	0	0	0	0.09	
-10785	H1A	SLES	1	5.4715	-12.5042	-37.2802	HCA2	10783	0	0	0	0.09	
-10786	O1	SLES	1	4.1367	-12.6499	-35.72	OC30A	10783	10787	0	0	-0.34	
-10787	C2	SLES	1	4.35091	-13.6073	-34.6617	CC32A	10786	10788	10789	10790	-0.01	
-10788	H2A	SLES	1	3.71412	-14.4522	-34.9897	HCA2	10787	0	0	0	0.09	
-10789	H2B	SLES	1	5.41906	-13.8869	-34.8039	HCA2	10787	0	0	0	0.09	
-10790	C1	SLES	1	4.08333	-13.3098	-33.1526	CC32A	10787	10791	10792	10793	-0.01	
-10791	H1B	SLES	1	3.03984	-13.5929	-32.8937	HCA2	10790	0	0	0	0.09	
-10792	H1A	SLES	1	4.77847	-13.9104	-32.5324	HCA2	10790	0	0	0	0.09	
-10793	O1	SLES	1	4.12991	-11.964	-32.5786	OC30A	10790	10794	0	0	-0.34	
-10794	C1	SLES	1	4.5342	-11.9041	-31.162	CTL2	10793	10795	10796	10797	-0.18	
-10795	H11	SLES	1	4.53611	-12.9409	-30.7794	HAL2	10794	0	0	0	0.09	
-10796	H12	SLES	1	5.58397	-11.5556	-31.2504	HAL2	10794	0	0	0	0.09	
-10797	C2	SLES	1	3.7428	-10.9715	-30.1619	CTL2	10794	10798	10799	10800	-0.18	
-10798	H21	SLES	1	2.90375	-10.4827	-30.7058	HAL2	10797	0	0	0	0.09	
-10799	H22	SLES	1	4.42478	-10.1731	-29.7958	HAL2	10797	0	0	0	0.09	
-10800	C3	SLES	1	3.1532	-11.7779	-28.9047	CTL2	10797	10801	10802	10803	-0.18	
-10801	H31	SLES	1	2.05954	-11.9236	-29.0495	HAL2	10800	0	0	0	0.09	
-10802	H32	SLES	1	3.62682	-12.779	-28.8632	HAL2	10800	0	0	0	0.09	
-10803	C4	SLES	1	3.39477	-11.037	-27.5245	CTL2	10800	10804	10805	10806	-0.18	
-10804	H41	SLES	1	2.45136	-10.5428	-27.2117	HAL2	10803	0	0	0	0.09	
-10805	H42	SLES	1	4.16476	-10.2479	-27.6638	HAL2	10803	0	0	0	0.09	
-10806	C5	SLES	1	3.87239	-12.029	-26.3701	CTL2	10803	10807	10808	10809	-0.18	
-10807	H51	SLES	1	3.62977	-13.0736	-26.6655	HAL2	10806	0	0	0	0.09	
-10808	H52	SLES	1	4.97834	-11.9524	-26.2607	HAL2	10806	0	0	0	0.09	
-10809	C6	SLES	1	3.19784	-11.7229	-24.9799	CTL2	10806	10810	10811	10812	-0.18	
-10810	H61	SLES	1	2.12919	-12.0319	-25.0192	HAL2	10809	0	0	0	0.09	
-10811	H62	SLES	1	3.7016	-12.3297	-24.1916	HAL2	10809	0	0	0	0.09	
-10812	C7	SLES	1	3.27736	-10.2135	-24.5876	CTL2	10809	10813	10814	10815	-0.18	
-10813	H71	SLES	1	2.46803	-9.65921	-25.1125	HAL2	10812	0	0	0	0.09	
-10814	H72	SLES	1	4.25307	-9.80014	-24.9274	HAL2	10812	0	0	0	0.09	
-10815	C8	SLES	1	3.1361	-9.98515	-23.0621	CTL2	10812	10816	10817	10818	-0.18	
-10816	H81	SLES	1	2.28047	-10.5886	-22.6811	HAL2	10815	0	0	0	0.09	
-10817	H82	SLES	1	4.06122	-10.3406	-22.5537	HAL2	10815	0	0	0	0.09	
-10818	C9	SLES	1	2.90309	-8.49548	-22.7058	CTL2	10815	10819	10820	10821	-0.18	
-10819	H91	SLES	1	1.99453	-8.13268	-23.238	HAL2	10818	0	0	0	0.09	
-10820	H92	SLES	1	3.77168	-7.89705	-23.0621	HAL2	10818	0	0	0	0.09	
-10821	C10	SLES	1	2.72222	-8.26723	-21.1864	CTL2	10818	10822	10823	10824	-0.18	
-10822	H10	SLES	1	1.83908	-8.84751	-20.8341	HAL2	10821	0	0	0	0.09	
-10823	H10	SLES	1	3.62089	-8.64995	-20.6516	HAL2	10821	0	0	0	0.09	
-10824	C11	SLES	1	2.51978	-6.77051	-20.8303	CTL2	10821	10825	10826	10827	-0.18	
-10825	H11	SLES	1	1.61601	-6.3943	-21.362	HAL2	10824	0	0	0	0.09	
-10826	H11	SLES	1	3.39683	-6.19195	-21.2004	HAL2	10824	0	0	0	0.09	
-10827	C12	SLES	1	2.35195	-6.50661	-19.3115	CTL3	10824	10828	10829	10830	-0.27	
-10828	H12	SLES	1	1.37127	-6.02207	-19.1094	HAL3	10827	0	0	0	0.09	
-10829	H12	SLES	1	3.16055	-5.83701	-18.9439	HAL3	10827	0	0	0	0.09	
-10830	H12	SLES	1	2.39836	-7.4622	-18.7451	HAL3	10827	0	0	0	0.09	
-10831	NA	SLES	1	11.3132	-9.43873	-41.6534	NA	0	0	0	0	1	
-10832	S	SLES	1	14.078	-9.76477	-39.287	SL	10833	10834	10835	10836	1.33	
-10833	OS1	SLES	1	12.5441	-9.2256	-38.8822	OSL	10832	10837	0	0	-0.28	
-10834	OS2	SLES	1	13.9093	-11.0847	-39.8587	O2L	10832	0	0	0	-0.65	
-10835	OS3	SLES	1	14.573	-8.85117	-40.2954	O2L	10832	0	0	0	-0.65	
-10836	OS4	SLES	1	15.0099	-9.8233	-38.1723	O2L	10832	0	0	0	-0.65	
-10837	C2	SLES	1	12.4124	-9.10694	-37.4028	CC32A	10833	10838	10839	10840	-0.11	
-10838	H2A	SLES	1	12.6641	-10.0833	-36.9021	HCA2	10837	0	0	0	0.09	
-10839	H2B	SLES	1	13.1289	-8.31751	-37.0426	HCA2	10837	0	0	0	0.09	
-10840	C1	SLES	1	10.9117	-8.68309	-37.0366	CC32A	10837	10841	10842	10843	-0.01	
-10841	H1B	SLES	1	10.1941	-9.41793	-37.4689	HCA2	10840	0	0	0	0.09	
-10842	H1A	SLES	1	10.6892	-7.67426	-37.456	HCA2	10840	0	0	0	0.09	
-10843	O1	SLES	1	10.4897	-8.59392	-35.6253	OC30A	10840	10844	0	0	-0.34	
-10844	C2	SLES	1	11.5417	-8.50043	-34.6418	CC32A	10843	10845	10846	10847	-0.01	
-10845	H2A	SLES	1	12.0893	-9.44898	-34.8066	HCA2	10844	0	0	0	0.09	
-10846	H2B	SLES	1	12.1581	-7.65832	-35.0294	HCA2	10844	0	0	0	0.09	
-10847	C1	SLES	1	11.2886	-8.30496	-33.1137	CC32A	10844	10848	10849	10850	-0.01	
-10848	H1B	SLES	1	11.2166	-9.29629	-32.6156	HCA2	10847	0	0	0	0.09	
-10849	H1A	SLES	1	12.137	-7.74583	-32.6709	HCA2	10847	0	0	0	0.09	
-10850	O1	SLES	1	10.0889	-7.66304	-32.5738	OC30A	10847	10851	0	0	-0.34	
-10851	C1	SLES	1	10.2811	-6.96018	-31.292	CTL2	10850	10852	10853	10854	-0.18	
-10852	H11	SLES	1	11.2822	-7.2375	-30.9152	HAL2	10851	0	0	0	0.09	
-10853	H12	SLES	1	10.3072	-5.90241	-31.6263	HAL2	10851	0	0	0	0.09	
-10854	C2	SLES	1	9.21454	-7.1312	-30.139	CTL2	10851	10855	10856	10857	-0.18	
-10855	H21	SLES	1	8.4274	-7.84357	-30.4733	HAL2	10854	0	0	0	0.09	
-10856	H22	SLES	1	8.72879	-6.1494	-29.9475	HAL2	10854	0	0	0	0.09	
-10857	C3	SLES	1	9.86535	-7.67193	-28.7743	CTL2	10854	10858	10859	10860	-0.18	
-10858	H31	SLES	1	9.6161	-8.75014	-28.6575	HAL2	10857	0	0	0	0.09	
-10859	H32	SLES	1	10.9681	-7.58318	-28.8398	HAL2	10857	0	0	0	0.09	
-10860	C4	SLES	1	9.36135	-6.88619	-27.4933	CTL2	10857	10861	10862	10863	-0.18	
-10861	H41	SLES	1	8.59991	-7.5017	-26.9704	HAL2	10860	0	0	0	0.09	
-10862	H42	SLES	1	8.87519	-5.9396	-27.8137	HAL2	10860	0	0	0	0.09	
-10863	C5	SLES	1	10.5433	-6.5439	-26.4781	CTL2	10860	10864	10865	10866	-0.18	
-10864	H51	SLES	1	11.4155	-7.19675	-26.7028	HAL2	10863	0	0	0	0.09	
-10865	H52	SLES	1	10.8586	-5.48662	-26.6318	HAL2	10863	0	0	0	0.09	
-10866	C6	SLES	1	10.1336	-6.74201	-24.97	CTL2	10863	10867	10868	10869	-0.18	
-10867	H61	SLES	1	10.0541	-7.83143	-24.7557	HAL2	10866	0	0	0	0.09	
-10868	H62	SLES	1	10.9354	-6.32192	-24.3188	HAL2	10866	0	0	0	0.09	
-10869	C7	SLES	1	8.77793	-6.05301	-24.6154	CTL2	10866	10870	10871	10872	-0.18	
-10870	H71	SLES	1	7.94111	-6.71112	-24.9385	HAL2	10869	0	0	0	0.09	
-10871	H72	SLES	1	8.69846	-5.09556	-25.1769	HAL2	10869	0	0	0	0.09	
-10872	C8	SLES	1	8.63408	-5.76321	-23.1005	CTL2	10869	10873	10874	10875	-0.18	
-10873	H81	SLES	1	8.93584	-6.669	-22.5262	HAL2	10872	0	0	0	0.09	
-10874	H82	SLES	1	9.32305	-4.93362	-22.8217	HAL2	10872	0	0	0	0.09	
-10875	C9	SLES	1	7.18707	-5.37342	-22.7074	CTL2	10872	10876	10877	10878	-0.18	
-10876	H91	SLES	1	6.49505	-6.19065	-23.0133	HAL2	10875	0	0	0	0.09	
-10877	H92	SLES	1	6.89639	-4.45215	-23.2608	HAL2	10875	0	0	0	0.09	
-10878	C10	SLES	1	7.02931	-5.12107	-21.1892	CTL2	10875	10879	10880	10881	-0.18	
-10879	H10	SLES	1	7.2977	-6.05008	-20.6364	HAL2	10878	0	0	0	0.09	
-10880	H10	SLES	1	7.7368	-4.31926	-20.8784	HAL2	10878	0	0	0	0.09	
-10881	C11	SLES	1	5.58615	-4.70103	-20.8035	CTL2	10878	10882	10883	10884	-0.18	
-10882	H11	SLES	1	4.88325	-5.50911	-21.1102	HAL2	10881	0	0	0	0.09	
-10883	H11	SLES	1	5.3159	-3.78211	-21.3722	HAL2	10881	0	0	0	0.09	
-10884	C12	SLES	1	5.39943	-4.42444	-19.2892	CTL3	10881	10885	10886	10887	-0.27	
-10885	H12	SLES	1	4.62569	-5.10181	-18.8651	HAL3	10884	0	0	0	0.09	
-10886	H12	SLES	1	5.07774	-3.3723	-19.1252	HAL3	10884	0	0	0	0.09	
-10887	H12	SLES	1	6.35405	-4.59203	-18.7444	HAL3	10884	0	0	0	0.09	
-10888	NA	SLES	1	4.44031	-2.18434	-43.9044	NA	0	0	0	0	1	
-10889	S	SLES	1	6.00883	0.768073	-42.4301	SL	10890	10891	10892	10893	1.33	
-10890	OS1	SLES	1	5.12323	-0.363386	-41.5682	OSL	10889	10894	0	0	-0.28	
-10891	OS2	SLES	1	7.08805	0.0424865	-43.0675	O2L	10889	0	0	0	-0.65	
-10892	OS3	SLES	1	5.11263	1.30044	-43.4351	O2L	10889	0	0	0	-0.65	
-10893	OS4	SLES	1	6.54852	1.85171	-41.6246	O2L	10889	0	0	0	-0.65	
-10894	C2	SLES	1	5.24867	-0.111291	-40.105	CC32A	10890	10895	10896	10897	-0.11	
-10895	H2A	SLES	1	6.33102	-0.0958529	-39.796	HCA2	10894	0	0	0	0.09	
-10896	H2B	SLES	1	4.78965	0.889903	-39.8744	HCA2	10894	0	0	0	0.09	
-10897	C1	SLES	1	4.47372	-1.25975	-39.3011	CC32A	10894	10898	10899	10900	-0.01	
-10898	H1B	SLES	1	4.86785	-2.2599	-39.5946	HCA2	10897	0	0	0	0.09	
-10899	H1A	SLES	1	3.38472	-1.2194	-39.5369	HCA2	10897	0	0	0	0.09	
-10900	O1	SLES	1	4.52774	-1.29844	-37.8268	OC30A	10897	10901	0	0	-0.34	
-10901	C2	SLES	1	4.93632	-0.0835074	-37.1638	CC32A	10900	10902	10903	10904	-0.01	
-10902	H2A	SLES	1	5.95667	0.0623772	-37.5693	HCA2	10901	0	0	0	0.09	
-10903	H2B	SLES	1	4.25885	0.675615	-37.6156	HCA2	10901	0	0	0	0.09	
-10904	C1	SLES	1	4.96279	0.0942148	-35.613	CC32A	10901	10905	10906	10907	-0.01	
-10905	H1B	SLES	1	5.96247	-0.192016	-35.2196	HCA2	10904	0	0	0	0.09	
-10906	H1A	SLES	1	4.77407	1.15752	-35.3632	HCA2	10904	0	0	0	0.09	
-10907	O1	SLES	1	4.10552	-0.666656	-34.7025	OC30A	10904	10908	0	0	-0.34	
-10908	C1	SLES	1	3.74341	0.0332149	-33.4563	CTL2	10907	10909	10910	10911	-0.18	
-10909	H11	SLES	1	4.37105	0.940877	-33.398	HAL2	10908	0	0	0	0.09	
-10910	H12	SLES	1	2.69841	0.336632	-33.6735	HAL2	10908	0	0	0	0.09	
-10911	C2	SLES	1	3.80125	-0.740536	-32.08	CTL2	10908	10912	10913	10914	-0.18	
-10912	H21	SLES	1	4.17192	-1.77472	-32.2585	HAL2	10911	0	0	0	0.09	
-10913	H22	SLES	1	2.77313	-0.812638	-31.6624	HAL2	10911	0	0	0	0.09	
-10914	C3	SLES	1	4.75546	-0.0194775	-31.0085	CTL2	10911	10915	10916	10917	-0.18	
-10915	H31	SLES	1	5.71272	-0.582784	-30.9405	HAL2	10914	0	0	0	0.09	
-10916	H32	SLES	1	4.98808	1.00439	-31.3632	HAL2	10914	0	0	0	0.09	
-10917	C4	SLES	1	4.10853	0.0710401	-29.5644	CTL2	10914	10918	10919	10920	-0.18	
-10918	H41	SLES	1	4.5559	-0.714336	-28.92	HAL2	10917	0	0	0	0.09	
-10919	H42	SLES	1	3.01787	-0.128388	-29.6399	HAL2	10917	0	0	0	0.09	
-10920	C5	SLES	1	4.32869	1.49546	-28.8808	CTL2	10917	10921	10922	10923	-0.18	
-10921	H51	SLES	1	5.15752	2.02394	-29.4015	HAL2	10920	0	0	0	0.09	
-10922	H52	SLES	1	3.4038	2.10392	-29.0044	HAL2	10920	0	0	0	0.09	
-10923	C6	SLES	1	4.67342	1.39347	-27.3471	CTL2	10920	10924	10925	10926	-0.18	
-10924	H61	SLES	1	5.70984	1.00367	-27.2333	HAL2	10923	0	0	0	0.09	
-10925	H62	SLES	1	4.63986	2.41437	-26.8998	HAL2	10923	0	0	0	0.09	
-10926	C7	SLES	1	3.69117	0.464015	-26.5663	CTL2	10923	10927	10928	10929	-0.18	
-10927	H71	SLES	1	3.99835	-0.594905	-26.7149	HAL2	10926	0	0	0	0.09	
-10928	H72	SLES	1	2.66634	0.586053	-26.9825	HAL2	10926	0	0	0	0.09	
-10929	C8	SLES	1	3.65932	0.770338	-25.0482	CTL2	10926	10930	10931	10932	-0.18	
-10930	H81	SLES	1	4.70428	0.871867	-24.6752	HAL2	10929	0	0	0	0.09	
-10931	H82	SLES	1	3.13935	1.74153	-24.8838	HAL2	10929	0	0	0	0.09	
-10932	C9	SLES	1	2.93727	-0.334343	-24.2366	CTL2	10929	10933	10934	10935	-0.18	
-10933	H91	SLES	1	3.43971	-1.31029	-24.4249	HAL2	10932	0	0	0	0.09	
-10934	H92	SLES	1	1.88502	-0.415843	-24.5911	HAL2	10932	0	0	0	0.09	
-10935	C10	SLES	1	2.93698	-0.0525604	-22.7155	CTL2	10932	10936	10937	10938	-0.18	
-10936	H10	SLES	1	3.98975	0.00582877	-22.3562	HAL2	10935	0	0	0	0.09	
-10937	H10	SLES	1	2.45449	0.933459	-22.5284	HAL2	10935	0	0	0	0.09	
-10938	C11	SLES	1	2.18637	-1.14523	-21.9089	CTL2	10935	10939	10940	10941	-0.18	
-10939	H11	SLES	1	2.67685	-2.12824	-22.0939	HAL2	10938	0	0	0	0.09	
-10940	H11	SLES	1	1.13953	-1.21228	-22.2838	HAL2	10938	0	0	0	0.09	
-10941	C12	SLES	1	2.15404	-0.88269	-20.3809	CTL3	10938	10942	10943	10944	-0.27	
-10942	H12	SLES	1	2.63726	-1.72229	-19.8342	HAL3	10941	0	0	0	0.09	
-10943	H12	SLES	1	1.10372	-0.787318	-20.0273	HAL3	10941	0	0	0	0.09	
-10944	H12	SLES	1	2.69638	0.0569904	-20.138	HAL3	10941	0	0	0	0.09	
-10945	NA	SLES	1	-4.09524	7.20958	-43.3974	NA	0	0	0	0	1	
-10946	S	SLES	1	-2.34478	4.1033	-42.599	SL	10947	10948	10949	10950	1.33	
-10947	OS1	SLES	1	-2.87275	5.21224	-41.4593	OSL	10946	10951	0	0	-0.28	
-10948	OS2	SLES	1	-3.51641	3.69787	-43.3476	O2L	10946	0	0	0	-0.65	
-10949	OS3	SLES	1	-1.43106	4.81926	-43.4645	O2L	10946	0	0	0	-0.65	
-10950	OS4	SLES	1	-1.68428	2.93406	-42.0413	O2L	10946	0	0	0	-0.65	
-10951	C2	SLES	1	-2.7201	4.65374	-40.0863	CC32A	10947	10952	10953	10954	-0.11	
-10952	H2A	SLES	1	-3.25511	3.66734	-39.9971	HCA2	10951	0	0	0	0.09	
-10953	H2B	SLES	1	-1.62452	4.49343	-39.8857	HCA2	10951	0	0	0	0.09	
-10954	C1	SLES	1	-3.31872	5.69112	-39.0227	CC32A	10951	10955	10956	10957	-0.01	
-10955	H1B	SLES	1	-4.38049	5.91956	-39.2722	HCA2	10954	0	0	0	0.09	
-10956	H1A	SLES	1	-2.7323	6.63914	-39.0457	HCA2	10954	0	0	0	0.09	
-10957	O1	SLES	1	-3.38067	5.33367	-37.5922	OC30A	10954	10958	0	0	-0.34	
-10958	C2	SLES	1	-2.54045	4.24178	-37.1628	CC32A	10957	10959	10960	10961	-0.01	
-10959	H2A	SLES	1	-2.93098	3.40357	-37.7725	HCA2	10958	0	0	0	0.09	
-10960	H2B	SLES	1	-1.54242	4.53778	-37.5574	HCA2	10958	0	0	0	0.09	
-10961	C1	SLES	1	-2.40189	3.78347	-35.6768	CC32A	10958	10962	10963	10964	-0.01	
-10962	H1B	SLES	1	-3.15525	2.99646	-35.4552	HCA2	10961	0	0	0	0.09	
-10963	H1A	SLES	1	-1.38963	3.3611	-35.5171	HCA2	10961	0	0	0	0.09	
-10964	O1	SLES	1	-2.62469	4.67476	-34.5372	OC30A	10961	10965	0	0	-0.34	
-10965	C1	SLES	1	-1.83886	4.35362	-33.3317	CTL2	10964	10966	10967	10968	-0.18	
-10966	H11	SLES	1	-1.37402	3.36519	-33.4993	HAL2	10965	0	0	0	0.09	
-10967	H12	SLES	1	-1.04789	5.13065	-33.3748	HAL2	10965	0	0	0	0.09	
-10968	C2	SLES	1	-2.53652	4.37779	-31.9143	CTL2	10965	10969	10970	10971	-0.18	
-10969	H21	SLES	1	-3.61586	4.61691	-32.0433	HAL2	10968	0	0	0	0.09	
-10970	H22	SLES	1	-2.07844	5.18339	-31.2997	HAL2	10968	0	0	0	0.09	
-10971	C3	SLES	1	-2.39881	2.97949	-31.137	CTL2	10968	10972	10973	10974	-0.18	
-10972	H31	SLES	1	-3.36933	2.43797	-31.1928	HAL2	10971	0	0	0	0.09	
-10973	H32	SLES	1	-1.6334	2.35836	-31.6435	HAL2	10971	0	0	0	0.09	
-10974	C4	SLES	1	-1.99438	3.15396	-29.6144	CTL2	10971	10975	10976	10977	-0.18	
-10975	H41	SLES	1	-2.8987	3.021	-28.9846	HAL2	10974	0	0	0	0.09	
-10976	H42	SLES	1	-1.61402	4.18573	-29.4537	HAL2	10974	0	0	0	0.09	
-10977	C5	SLES	1	-0.878128	2.11236	-29.152	CTL2	10974	10978	10979	10980	-0.18	
-10978	H51	SLES	1	-0.84166	1.27211	-29.8801	HAL2	10977	0	0	0	0.09	
-10979	H52	SLES	1	0.114995	2.61689	-29.1617	HAL2	10977	0	0	0	0.09	
-10980	C6	SLES	1	-1.14192	1.52856	-27.7129	CTL2	10977	10981	10982	10983	-0.18	
-10981	H61	SLES	1	-2.00295	0.824605	-27.7592	HAL2	10980	0	0	0	0.09	
-10982	H62	SLES	1	-0.244955	0.95237	-27.3859	HAL2	10980	0	0	0	0.09	
-10983	C7	SLES	1	-1.44669	2.63722	-26.6564	CTL2	10980	10984	10985	10986	-0.18	
-10984	H71	SLES	1	-2.51523	2.93517	-26.7411	HAL2	10983	0	0	0	0.09	
-10985	H72	SLES	1	-0.822167	3.53151	-26.8767	HAL2	10983	0	0	0	0.09	
-10986	C8	SLES	1	-1.16768	2.17176	-25.2055	CTL2	10983	10987	10988	10989	-0.18	
-10987	H81	SLES	1	-1.60957	1.15989	-25.0563	HAL2	10986	0	0	0	0.09	
-10988	H82	SLES	1	-0.0670466	2.09234	-25.0541	HAL2	10986	0	0	0	0.09	
-10989	C9	SLES	1	-1.75533	3.14138	-24.1496	CTL2	10986	10990	10991	10992	-0.18	
-10990	H91	SLES	1	-2.85117	3.24322	-24.3202	HAL2	10989	0	0	0	0.09	
-10991	H92	SLES	1	-1.2925	4.14531	-24.2816	HAL2	10989	0	0	0	0.09	
-10992	C10	SLES	1	-1.51347	2.66084	-22.6991	CTL2	10989	10993	10994	10995	-0.18	
-10993	H10	SLES	1	-1.99651	1.6668	-22.56	HAL2	10992	0	0	0	0.09	
-10994	H10	SLES	1	-0.419051	2.53751	-22.5346	HAL2	10992	0	0	0	0.09	
-10995	C11	SLES	1	-2.0763	3.64964	-21.6439	CTL2	10992	10996	10997	10998	-0.18	
-10996	H11	SLES	1	-3.17217	3.7643	-21.8083	HAL2	10995	0	0	0	0.09	
-10997	H11	SLES	1	-1.60373	4.64649	-21.7985	HAL2	10995	0	0	0	0.09	
-10998	C12	SLES	1	-1.83482	3.20399	-20.1784	CTL3	10995	10999	11000	11001	-0.27	
-10999	H12	SLES	1	-2.80396	3.0896	-19.6446	HAL3	10998	0	0	0	0.09	
-11000	H12	SLES	1	-1.22103	3.95995	-19.6407	HAL3	10998	0	0	0	0.09	
-11001	H12	SLES	1	-1.29934	2.22995	-20.1532	HAL3	10998	0	0	0	0.09	
-11002	NA	SLES	1	-0.328026	-5.05327	-43.8912	NA	0	0	0	0	1	
-11003	S	SLES	1	-3.66943	-4.86152	-42.4254	SL	11004	11005	11006	11007	1.33	
-11004	OS1	SLES	1	-2.24604	-4.85351	-41.5415	OSL	11003	11008	0	0	-0.28	
-11005	OS2	SLES	1	-3.58969	-3.73982	-43.338	O2L	11003	0	0	0	-0.65	
-11006	OS3	SLES	1	-3.67386	-6.10302	-43.1705	O2L	11003	0	0	0	-0.65	
-11007	OS4	SLES	1	-4.87783	-4.76201	-41.6227	O2L	11003	0	0	0	-0.65	
-11008	C2	SLES	1	-2.52817	-4.54388	-40.1115	CC32A	11004	11009	11010	11011	-0.11	
-11009	H2A	SLES	1	-3.0898	-3.57272	-40.0188	HCA2	11008	0	0	0	0.09	
-11010	H2B	SLES	1	-3.15928	-5.37192	-39.6845	HCA2	11008	0	0	0	0.09	
-11011	C1	SLES	1	-1.14609	-4.44753	-39.3075	CC32A	11008	11012	11013	11014	-0.01	
-11012	H1B	SLES	1	-0.482973	-3.68866	-39.7831	HCA2	11011	0	0	0	0.09	
-11013	H1A	SLES	1	-0.629266	-5.43538	-39.3213	HCA2	11011	0	0	0	0.09	
-11014	O1	SLES	1	-1.14132	-4.05188	-37.8858	OC30A	11011	11015	0	0	-0.34	
-11015	C2	SLES	1	-2.39643	-4.15934	-37.1817	CC32A	11014	11016	11017	11018	-0.01	
-11016	H2A	SLES	1	-3.03855	-3.46515	-37.7584	HCA2	11015	0	0	0	0.09	
-11017	H2B	SLES	1	-2.70761	-5.20472	-37.4046	HCA2	11015	0	0	0	0.09	
-11018	C1	SLES	1	-2.56438	-3.87647	-35.6555	CC32A	11015	11019	11020	11021	-0.01	
-11019	H1B	SLES	1	-2.82409	-2.8069	-35.4986	HCA2	11018	0	0	0	0.09	
-11020	H1A	SLES	1	-3.38594	-4.50377	-35.2554	HCA2	11018	0	0	0	0.09	
-11021	O1	SLES	1	-1.47494	-4.01666	-34.6879	OC30A	11018	11022	0	0	-0.34	
-11022	C1	SLES	1	-1.89614	-4.38641	-33.3242	CTL2	11021	11023	11024	11025	-0.18	
-11023	H11	SLES	1	-2.9967	-4.294	-33.2866	HAL2	11022	0	0	0	0.09	
-11024	H12	SLES	1	-1.62846	-5.46297	-33.2987	HAL2	11022	0	0	0	0.09	
-11025	C2	SLES	1	-1.25936	-3.64675	-32.0817	CTL2	11022	11026	11027	11028	-0.18	
-11026	H21	SLES	1	-0.555106	-2.86497	-32.4445	HAL2	11025	0	0	0	0.09	
-11027	H22	SLES	1	-0.676935	-4.38118	-31.4834	HAL2	11025	0	0	0	0.09	
-11028	C3	SLES	1	-2.36522	-2.96026	-31.1414	CTL2	11025	11029	11030	11031	-0.18	
-11029	H31	SLES	1	-2.36424	-1.86266	-31.3246	HAL2	11028	0	0	0	0.09	
-11030	H32	SLES	1	-3.36561	-3.34986	-31.4164	HAL2	11028	0	0	0	0.09	
-11031	C4	SLES	1	-2.1169	-3.22409	-29.5983	CTL2	11028	11032	11033	11034	-0.18	
-11032	H41	SLES	1	-1.66672	-2.31583	-29.1461	HAL2	11031	0	0	0	0.09	
-11033	H42	SLES	1	-1.3926	-4.05899	-29.4828	HAL2	11031	0	0	0	0.09	
-11034	C5	SLES	1	-3.45726	-3.58863	-28.8139	CTL2	11031	11035	11036	11037	-0.18	
-11035	H51	SLES	1	-4.33223	-3.27008	-29.4225	HAL2	11034	0	0	0	0.09	
-11036	H52	SLES	1	-3.51352	-4.69381	-28.6861	HAL2	11034	0	0	0	0.09	
-11037	C6	SLES	1	-3.54515	-2.90414	-27.3979	CTL2	11034	11038	11039	11040	-0.18	
-11038	H61	SLES	1	-3.73392	-1.81539	-27.5323	HAL2	11037	0	0	0	0.09	
-11039	H62	SLES	1	-4.40888	-3.33576	-26.8401	HAL2	11037	0	0	0	0.09	
-11040	C7	SLES	1	-2.24694	-3.09528	-26.5515	CTL2	11037	11041	11042	11043	-0.18	
-11041	H71	SLES	1	-1.48924	-2.3479	-26.8756	HAL2	11040	0	0	0	0.09	
-11042	H72	SLES	1	-1.8329	-4.11004	-26.7442	HAL2	11040	0	0	0	0.09	
-11043	C8	SLES	1	-2.49624	-2.93222	-25.0313	CTL2	11040	11044	11045	11046	-0.18	
-11044	H81	SLES	1	-3.11323	-2.02057	-24.8592	HAL2	11043	0	0	0	0.09	
-11045	H82	SLES	1	-3.07056	-3.81153	-24.6604	HAL2	11043	0	0	0	0.09	
-11046	C9	SLES	1	-1.17871	-2.81133	-24.2252	CTL2	11043	11047	11048	11049	-0.18	
-11047	H91	SLES	1	-0.591396	-1.94975	-24.6165	HAL2	11046	0	0	0	0.09	
-11048	H92	SLES	1	-0.575318	-3.7348	-24.3756	HAL2	11046	0	0	0	0.09	
-11049	C10	SLES	1	-1.42282	-2.60895	-22.711	CTL2	11046	11050	11051	11052	-0.18	
-11050	H10	SLES	1	-2.00656	-1.67256	-22.5587	HAL2	11049	0	0	0	0.09	
-11051	H10	SLES	1	-2.02893	-3.45899	-22.3236	HAL2	11049	0	0	0	0.09	
-11052	C11	SLES	1	-0.101184	-2.5191	-21.9028	CTL2	11049	11053	11054	11055	-0.18	
-11053	H11	SLES	1	0.498271	-1.66337	-22.2895	HAL2	11052	0	0	0	0.09	
-11054	H11	SLES	1	0.487019	-3.44977	-22.0726	HAL2	11052	0	0	0	0.09	
-11055	C12	SLES	1	-0.312494	-2.33263	-20.378	CTL3	11052	11056	11057	11058	-0.27	
-11056	H12	SLES	1	0.166375	-1.38941	-20.0339	HAL3	11055	0	0	0	0.09	
-11057	H12	SLES	1	0.136813	-3.18273	-19.8187	HAL3	11055	0	0	0	0.09	
-11058	H12	SLES	1	-1.39762	-2.28621	-20.1404	HAL3	11055	0	0	0	0.09	
