Index: tests/regression/Molecules/CreateMicelle/post/tensid.data
===================================================================
--- tests/regression/Molecules/CreateMicelle/post/tensid.data	(revision 2034f3c5f9db8e8024a0f4db0cd3d1231e98ac24)
+++ 	(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	-4.78921	-8.81932	-49.4988	NA	0	0	0	0	1	
-2	S	SLES	1	-3.65465	-6.08892	-48.8416	SL	3	4	5	6	1.33	
-3	OS1	SLES	1	-3.87843	-6.72987	-47.5345	OSL	2	7	0	0	-0.28	
-4	OS2	SLES	1	-5.04507	-6.26428	-49.1974	O2L	2	0	0	0	-0.65	
-5	OS3	SLES	1	-2.77769	-7.16165	-49.2508	O2L	2	0	0	0	-0.65	
-6	OS4	SLES	1	-3.13089	-4.77823	-48.5777	O2L	2	0	0	0	-0.65	
-7	C2	SLES	1	-3.60741	-6.22329	-46.2891	CC32A	3	8	9	10	-0.11	
-8	H2A	SLES	1	-4.18642	-5.27916	-46.1094	HCA2	7	0	0	0	0.09	
-9	H2B	SLES	1	-2.50971	-6.02365	-46.1676	HCA2	7	0	0	0	0.09	
-10	C1	SLES	1	-4.08461	-7.36466	-45.3654	CC32A	7	11	12	13	-0.01	
-11	H1B	SLES	1	-5.17451	-7.57593	-45.5198	HCA2	10	0	0	0	0.09	
-12	H1A	SLES	1	-3.50731	-8.30171	-45.56	HCA2	10	0	0	0	0.09	
-13	O1	SLES	1	-3.97077	-7.20268	-43.9889	OC30A	10	14	0	0	-0.34	
-14	C2	SLES	1	-3.43888	-5.98299	-43.5048	CC32A	13	15	16	17	-0.01	
-15	H2A	SLES	1	-4.07191	-5.11461	-43.8464	HCA2	14	0	0	0	0.09	
-16	H2B	SLES	1	-2.39664	-5.82356	-43.868	HCA2	14	0	0	0	0.09	
-17	C1	SLES	1	-3.79084	-6.49946	-42.0625	CC32A	14	18	19	20	-0.01	
-18	H1B	SLES	1	-4.46592	-5.64619	-41.9148	HCA2	17	0	0	0	0.09	
-19	H1A	SLES	1	-2.64446	-6.46841	-41.9775	HCA2	17	0	0	0	0.09	
-20	O1	SLES	1	-3.65176	-6.80078	-40.698	OC30A	17	21	0	0	-0.34	
-21	C1	SLES	1	-3.30681	-5.74661	-39.8105	CTL2	20	22	23	24	-0.18	
-22	H11	SLES	1	-3.89577	-4.79376	-39.9222	HAL2	21	0	0	0	0.09	
-23	H12	SLES	1	-2.22607	-5.47911	-39.9242	HAL2	21	0	0	0	0.09	
-24	C2	SLES	1	-3.59821	-6.44145	-38.4812	CTL2	21	25	26	27	-0.18	
-25	H21	SLES	1	-4.68093	-6.66353	-38.3229	HAL2	24	0	0	0	0.09	
-26	H22	SLES	1	-3.01058	-7.38114	-38.3397	HAL2	24	0	0	0	0.09	
-27	C3	SLES	1	-3.15617	-5.44694	-37.4853	CTL2	24	28	29	30	-0.18	
-28	H31	SLES	1	-3.78339	-4.53673	-37.689	HAL2	27	0	0	0	0.09	
-29	H32	SLES	1	-2.06799	-5.27353	-37.7124	HAL2	27	0	0	0	0.09	
-30	C4	SLES	1	-3.25076	-5.72194	-36.0195	CTL2	27	31	32	33	-0.18	
-31	H41	SLES	1	-4.3086	-5.90337	-35.7068	HAL2	30	0	0	0	0.09	
-32	H42	SLES	1	-2.6485	-6.61601	-35.7335	HAL2	30	0	0	0	0.09	
-33	C5	SLES	1	-2.67234	-4.39332	-35.5142	CTL2	30	34	35	36	-0.18	
-34	H51	SLES	1	-3.27901	-3.52948	-35.896	HAL2	33	0	0	0	0.09	
-35	H52	SLES	1	-1.63918	-4.23443	-35.9213	HAL2	33	0	0	0	0.09	
-36	C6	SLES	1	-2.57414	-4.21724	-34.0607	CTL2	33	37	38	39	-0.18	
-37	H61	SLES	1	-3.14128	-3.2776	-33.8193	HAL2	36	0	0	0	0.09	
-38	H62	SLES	1	-1.4969	-3.98462	-33.8445	HAL2	36	0	0	0	0.09	
-39	C7	SLES	1	-3.0599	-5.38008	-33.187	CTL2	36	40	41	42	-0.18	
-40	H71	SLES	1	-4.14638	-5.60769	-33.2982	HAL2	39	0	0	0	0.09	
-41	H72	SLES	1	-2.48146	-6.32319	-33.3237	HAL2	39	0	0	0	0.09	
-42	C8	SLES	1	-2.78931	-4.79548	-31.8482	CTL2	39	43	44	45	-0.18	
-43	H81	SLES	1	-3.38566	-3.84187	-31.7922	HAL2	42	0	0	0	0.09	
-44	H82	SLES	1	-1.68487	-4.57231	-31.8191	HAL2	42	0	0	0	0.09	
-45	C9	SLES	1	-3.10046	-5.56485	-30.612	CTL2	42	46	47	48	-0.18	
-46	H91	SLES	1	-4.18784	-5.79788	-30.5676	HAL2	45	0	0	0	0.09	
-47	H92	SLES	1	-2.51928	-6.5141	-30.5936	HAL2	45	0	0	0	0.09	
-48	C10	SLES	1	-2.654	-4.56383	-29.5484	CTL2	45	49	50	51	-0.18	
-49	H10	SLES	1	-3.22334	-3.60241	-29.6658	HAL2	48	0	0	0	0.09	
-50	H10	SLES	1	-1.56752	-4.31378	-29.6915	HAL2	48	0	0	0	0.09	
-51	C11	SLES	1	-2.828	-5.02043	-28.1364	CTL2	48	52	53	54	-0.18	
-52	H11	SLES	1	-3.9101	-5.2467	-27.9918	HAL2	51	0	0	0	0.09	
-53	H11	SLES	1	-2.24453	-5.96275	-28.0178	HAL2	51	0	0	0	0.09	
-54	C12	SLES	1	-2.34213	-3.92257	-27.1859	CTL3	51	55	56	57	-0.27	
-55	H12	SLES	1	-3.17756	-3.57712	-26.5465	HAL3	54	0	0	0	0.09	
-56	H12	SLES	1	-1.49989	-4.29747	-26.5722	HAL3	54	0	0	0	0.09	
-57	H12	SLES	1	-1.96386	-3.02324	-27.7313	HAL3	54	0	0	0	0.09	
-58	NA	SLES	1	9.24123	1.64418	71.603	NA	0	0	0	0	1	
-59	S	SLES	1	7.37925	-0.607557	70.8049	SL	60	61	62	63	1.33	
-60	OS1	SLES	1	7.74261	0.0495181	69.5378	OSL	59	64	0	0	-0.28	
-61	OS2	SLES	1	6.87441	0.637759	71.3387	O2L	59	0	0	0	-0.65	
-62	OS3	SLES	1	8.7678	-0.880562	71.0959	O2L	59	0	0	0	-0.65	
-63	OS4	SLES	1	6.47856	-1.67631	70.4757	O2L	59	0	0	0	-0.65	
-64	C2	SLES	1	7.35407	-0.293442	68.2679	CC32A	60	65	66	67	-0.11	
-65	H2A	SLES	1	6.23801	-0.239842	68.1656	HCA2	64	0	0	0	0.09	
-66	H2B	SLES	1	7.70972	-1.32482	68.0046	HCA2	64	0	0	0	0.09	
-67	C1	SLES	1	8.05344	0.785828	67.4137	CC32A	64	68	69	70	-0.01	
-68	H1B	SLES	1	7.71386	1.81251	67.7086	HCA2	67	0	0	0	0.09	
-69	H1A	SLES	1	9.16347	0.728524	67.531	HCA2	67	0	0	0	0.09	
-70	O1	SLES	1	7.8792	0.763312	66.0341	OC30A	67	71	0	0	-0.34	
-71	C2	SLES	1	7.04739	-0.242648	65.4855	CC32A	70	72	73	74	-0.01	
-72	H2A	SLES	1	6.0045	-0.164001	65.907	HCA2	71	0	0	0	0.09	
-73	H2B	SLES	1	7.44223	-1.26114	65.7099	HCA2	71	0	0	0	0.09	
-74	C1	SLES	1	7.23102	0.478817	64.1011	CC32A	71	75	76	77	-0.01	
-75	H1B	SLES	1	6.14904	0.65649	64.043	HCA2	74	0	0	0	0.09	
-76	H1A	SLES	1	7.75946	-0.515444	63.8675	HCA2	74	0	0	0	0.09	
-77	O1	SLES	1	7.47284	0.661847	62.73	OC30A	74	78	0	0	-0.34	
-78	C1	SLES	1	6.6674	-0.0556061	61.8056	CTL2	77	79	80	81	-0.18	
-79	H11	SLES	1	5.55774	-0.0306716	61.9935	HAL2	78	0	0	0	0.09	
-80	H12	SLES	1	6.97094	-1.13244	61.7777	HAL2	78	0	0	0	0.09	
-81	C2	SLES	1	7.04309	0.688909	60.5252	CTL2	78	82	83	84	-0.18	
-82	H21	SLES	1	6.69619	1.75006	60.5092	HAL2	81	0	0	0	0.09	
-83	H22	SLES	1	8.13873	0.661981	60.308	HAL2	81	0	0	0	0.09	
-84	C3	SLES	1	6.33003	-0.0705721	59.4807	CTL2	81	85	86	87	-0.18	
-85	H31	SLES	1	5.24469	-0.00200562	59.7648	HAL2	84	0	0	0	0.09	
-86	H32	SLES	1	6.72639	-1.1202	59.5642	HAL2	84	0	0	0	0.09	
-87	C4	SLES	1	6.42807	0.312422	58.0396	CTL2	84	88	89	90	-0.18	
-88	H41	SLES	1	6.048	1.34952	57.8672	HAL2	87	0	0	0	0.09	
-89	H42	SLES	1	7.48183	0.266707	57.6771	HAL2	87	0	0	0	0.09	
-90	C5	SLES	1	5.52291	-0.785032	57.4639	CTL2	87	91	92	93	-0.18	
-91	H51	SLES	1	4.49947	-0.731426	57.9219	HAL2	90	0	0	0	0.09	
-92	H52	SLES	1	5.91662	-1.8004	57.7331	HAL2	90	0	0	0	0.09	
-93	C6	SLES	1	5.32378	-0.792326	56.0101	CTL2	90	94	95	96	-0.18	
-94	H61	SLES	1	4.21344	-0.739757	55.845	HAL2	93	0	0	0	0.09	
-95	H62	SLES	1	5.6346	-1.81162	55.6555	HAL2	93	0	0	0	0.09	
-96	C7	SLES	1	6.04087	0.29928	55.2066	CTL2	93	97	98	99	-0.18	
-97	H71	SLES	1	5.71438	1.33595	55.4582	HAL2	96	0	0	0	0.09	
-98	H72	SLES	1	7.15298	0.250531	55.2663	HAL2	96	0	0	0	0.09	
-99	C8	SLES	1	5.57822	-0.0712677	53.8441	CTL2	96	100	101	102	-0.18	
-100	H81	SLES	1	4.45344	-0.0213796	53.8668	HAL2	99	0	0	0	0.09	
-101	H82	SLES	1	5.92269	-1.13052	53.6716	HAL2	99	0	0	0	0.09	
-102	C9	SLES	1	6.0151	0.716524	52.6587	CTL2	99	103	104	105	-0.18	
-103	H91	SLES	1	5.68281	1.77424	52.7562	HAL2	102	0	0	0	0.09	
-104	H92	SLES	1	7.12386	0.685989	52.5642	HAL2	102	0	0	0	0.09	
-105	C10	SLES	1	5.29416	-0.0423176	51.5465	CTL2	102	106	107	108	-0.18	
-106	H10	SLES	1	4.18703	-0.0391775	51.7375	HAL2	105	0	0	0	0.09	
-107	H10	SLES	1	5.6176	-1.11881	51.547	HAL2	105	0	0	0	0.09	
-108	C11	SLES	1	5.51476	0.492708	50.1689	CTL2	105	109	110	111	-0.18	
-109	H11	SLES	1	5.17269	1.55386	50.1664	HAL2	108	0	0	0	0.09	
-110	H11	SLES	1	6.61213	0.468091	49.9749	HAL2	108	0	0	0	0.09	
-111	C12	SLES	1	4.7362	-0.360704	49.1637	CTL3	108	112	113	114	-0.27	
-112	H12	SLES	1	3.98559	0.261463	48.6388	HAL3	111	0	0	0	0.09	
-113	H12	SLES	1	5.43467	-0.832578	48.4455	HAL3	111	0	0	0	0.09	
-114	H12	SLES	1	4.17444	-1.19245	49.6557	HAL3	111	0	0	0	0.09	
-115	NA	SLES	1	-2.74471	8.56651	71.6622	NA	0	0	0	0	1	
-116	S	SLES	1	-4.4237	6.20585	70.7776	SL	117	118	119	120	1.33	
-117	OS1	SLES	1	-3.81787	6.72401	69.5392	OSL	116	121	0	0	-0.28	
-118	OS2	SLES	1	-5.01831	7.49344	71.059	O2L	116	0	0	0	-0.65	
-119	OS3	SLES	1	-3.11956	5.99266	71.3616	O2L	116	0	0	0	-0.65	
-120	OS4	SLES	1	-5.24689	5.09062	70.4028	O2L	116	0	0	0	-0.65	
-121	C2	SLES	1	-3.95266	6.23439	68.2651	CC32A	117	122	123	124	-0.11	
-122	H2A	SLES	1	-5.02715	6.25566	67.9427	HCA2	121	0	0	0	0.09	
-123	H2B	SLES	1	-3.55632	5.1868	68.1941	HCA2	121	0	0	0	0.09	
-124	C1	SLES	1	-3.09618	7.22431	67.4465	CC32A	121	125	126	127	-0.01	
-125	H1B	SLES	1	-3.48293	8.27105	67.5519	HCA2	124	0	0	0	0.09	
-126	H1A	SLES	1	-2.03054	7.20091	67.7827	HCA2	124	0	0	0	0.09	
-127	O1	SLES	1	-2.99821	7.04478	66.0709	OC30A	124	128	0	0	-0.34	
-128	C2	SLES	1	-3.71083	5.96873	65.4886	CC32A	127	129	130	131	-0.01	
-129	H2A	SLES	1	-4.81558	6.07469	65.688	HCA2	128	0	0	0	0.09	
-130	H2B	SLES	1	-3.37109	4.98909	65.899	HCA2	128	0	0	0	0.09	
-131	C1	SLES	1	-3.25816	6.53446	64.0936	CC32A	128	132	133	134	-0.01	
-132	H1B	SLES	1	-4.30738	6.68457	63.8068	HCA2	131	0	0	0	0.09	
-133	H1A	SLES	1	-2.698	5.53025	64.0809	HCA2	131	0	0	0	0.09	
-134	O1	SLES	1	-2.753	6.56777	62.7838	OC30A	131	135	0	0	-0.34	
-135	C1	SLES	1	-3.36543	5.73693	61.8078	CTL2	134	136	137	138	-0.18	
-136	H11	SLES	1	-4.49033	5.76223	61.7727	HAL2	135	0	0	0	0.09	
-137	H12	SLES	1	-3.06626	4.66949	61.9612	HAL2	135	0	0	0	0.09	
-138	C2	SLES	1	-2.74457	6.34071	60.5488	CTL2	135	139	140	141	-0.18	
-139	H21	SLES	1	-3.07775	7.38687	60.3459	HAL2	138	0	0	0	0.09	
-140	H22	SLES	1	-1.62771	6.3099	60.5529	HAL2	138	0	0	0	0.09	
-141	C3	SLES	1	-3.24313	5.45641	59.4785	CTL2	138	142	143	144	-0.18	
-142	H31	SLES	1	-4.36277	5.53624	59.5369	HAL2	141	0	0	0	0.09	
-143	H32	SLES	1	-2.87455	4.43014	59.7554	HAL2	141	0	0	0	0.09	
-144	C4	SLES	1	-2.86461	5.67794	58.0499	CTL2	141	145	146	147	-0.18	
-145	H41	SLES	1	-3.19994	6.68215	57.6909	HAL2	144	0	0	0	0.09	
-146	H42	SLES	1	-1.76058	5.61149	57.9065	HAL2	144	0	0	0	0.09	
-147	C5	SLES	1	-3.64423	4.50661	57.4373	CTL2	144	148	149	150	-0.18	
-148	H51	SLES	1	-4.73711	4.59212	57.6789	HAL2	147	0	0	0	0.09	
-149	H52	SLES	1	-3.31432	3.53505	57.8908	HAL2	147	0	0	0	0.09	
-150	C6	SLES	1	-3.55615	4.33347	55.9828	CTL2	147	151	152	153	-0.18	
-151	H61	SLES	1	-4.61279	4.34682	55.6005	HAL2	150	0	0	0	0.09	
-152	H62	SLES	1	-3.18594	3.28687	55.8128	HAL2	150	0	0	0	0.09	
-153	C7	SLES	1	-2.69212	5.34162	55.2156	CTL2	150	154	155	156	-0.18	
-154	H71	SLES	1	-3.05756	6.3937	55.2803	HAL2	153	0	0	0	0.09	
-155	H72	SLES	1	-1.61318	5.32034	55.4952	HAL2	153	0	0	0	0.09	
-156	C8	SLES	1	-2.88165	4.81289	53.8401	CTL2	153	157	158	159	-0.18	
-157	H81	SLES	1	-3.98908	4.84426	53.6382	HAL2	156	0	0	0	0.09	
-158	H82	SLES	1	-2.51409	3.74753	53.8586	HAL2	156	0	0	0	0.09	
-159	C9	SLES	1	-2.21913	5.47139	52.6807	CTL2	156	160	161	162	-0.18	
-160	H91	SLES	1	-2.56013	6.52708	52.5916	HAL2	159	0	0	0	0.09	
-161	H92	SLES	1	-1.11336	5.45095	52.8073	HAL2	159	0	0	0	0.09	
-162	C10	SLES	1	-2.71222	4.58003	51.5427	CTL2	159	163	164	165	-0.18	
-163	H10	SLES	1	-3.83533	4.58406	51.5136	HAL2	162	0	0	0	0.09	
-164	H10	SLES	1	-2.39908	3.51646	51.7277	HAL2	162	0	0	0	0.09	
-165	C11	SLES	1	-2.22532	4.96197	50.1828	CTL2	162	166	167	168	-0.18	
-166	H11	SLES	1	-2.55639	6.00972	49.9939	HAL2	165	0	0	0	0.09	
-167	H11	SLES	1	-1.11128	4.93608	50.2095	HAL2	165	0	0	0	0.09	
-168	C12	SLES	1	-2.79614	3.98752	49.1486	CTL3	165	169	170	171	-0.27	
-169	H12	SLES	1	-3.42769	4.53328	48.421	HAL3	168	0	0	0	0.09	
-170	H12	SLES	1	-1.97279	3.45139	48.6376	HAL3	168	0	0	0	0.09	
-171	H12	SLES	1	-3.4461	3.20565	49.613	HAL3	168	0	0	0	0.09	
-172	NA	SLES	1	-2.75689	-5.29925	72.0339	NA	0	0	0	0	1	
-173	S	SLES	1	-4.4192	-7.41317	70.6403	SL	174	175	176	177	1.33	
-174	OS1	SLES	1	-3.81823	-6.62561	69.5504	OSL	173	178	0	0	-0.28	
-175	OS2	SLES	1	-5.02303	-6.22611	71.2032	O2L	173	0	0	0	-0.65	
-176	OS3	SLES	1	-3.11303	-7.74249	71.1625	O2L	173	0	0	0	-0.65	
-177	OS4	SLES	1	-5.23447	-8.42173	70.0238	O2L	173	0	0	0	-0.65	
-178	C2	SLES	1	-3.95048	-6.81751	68.1988	CC32A	174	179	180	181	-0.11	
-179	H2A	SLES	1	-5.02537	-6.73227	67.8885	HCA2	178	0	0	0	0.09	
-180	H2B	SLES	1	-3.54651	-7.81945	67.8946	HCA2	178	0	0	0	0.09	
-181	C1	SLES	1	-3.10201	-5.66274	67.6242	CC32A	178	182	183	184	-0.01	
-182	H1B	SLES	1	-3.49636	-4.66929	67.9616	HCA2	181	0	0	0	0.09	
-183	H1A	SLES	1	-2.03594	-5.75322	67.9475	HCA2	181	0	0	0	0.09	
-184	O1	SLES	1	-3.00386	-5.52795	66.2435	OC30A	181	185	0	0	-0.34	
-185	C2	SLES	1	-3.70903	-6.45091	65.4337	CC32A	184	186	187	188	-0.01	
-186	H2A	SLES	1	-4.81437	-6.40058	65.6509	HCA2	185	0	0	0	0.09	
-187	H2B	SLES	1	-3.36175	-7.49518	65.6139	HCA2	185	0	0	0	0.09	
-188	C1	SLES	1	-3.26171	-5.58297	64.2019	CC32A	185	189	190	191	-0.01	
-189	H1B	SLES	1	-4.31224	-5.38001	63.9552	HCA2	188	0	0	0	0.09	
-190	H1A	SLES	1	-2.69418	-6.55452	63.9644	HCA2	188	0	0	0	0.09	
-191	O1	SLES	1	-2.7579	-5.25257	62.9334	OC30A	188	192	0	0	-0.34	
-192	C1	SLES	1	-3.36502	-5.84743	61.7952	CTL2	191	193	194	195	-0.18	
-193	H11	SLES	1	-4.49011	-5.82318	61.7657	HAL2	192	0	0	0	0.09	
-194	H12	SLES	1	-3.05787	-6.91983	61.7052	HAL2	192	0	0	0	0.09	
-195	C2	SLES	1	-2.74967	-4.97173	60.7046	CTL2	192	196	197	198	-0.18	
-196	H21	SLES	1	-3.09072	-3.90921	60.7416	HAL2	195	0	0	0	0.09	
-197	H22	SLES	1	-1.63261	-4.99444	60.7025	HAL2	195	0	0	0	0.09	
-198	C3	SLES	1	-3.24261	-5.59665	59.4625	CTL2	195	199	200	201	-0.18	
-199	H31	SLES	1	-4.36276	-5.54022	59.5364	HAL2	198	0	0	0	0.09	
-200	H32	SLES	1	-2.86625	-6.65616	59.5022	HAL2	198	0	0	0	0.09	
-201	C4	SLES	1	-2.86692	-5.05711	58.1206	CTL2	198	202	203	204	-0.18	
-202	H41	SLES	1	-3.20993	-4.00042	57.996	HAL2	201	0	0	0	0.09	
-203	H42	SLES	1	-1.76256	-5.0815	57.9668	HAL2	201	0	0	0	0.09	
-204	C5	SLES	1	-3.63841	-6.0666	57.2599	CTL2	201	205	206	207	-0.18	
-205	H51	SLES	1	-4.73169	-6.04559	57.5135	HAL2	204	0	0	0	0.09	
-206	H52	SLES	1	-3.30098	-7.11274	57.4838	HAL2	204	0	0	0	0.09	
-207	C6	SLES	1	-3.55028	-5.90795	55.8037	CTL2	204	208	209	210	-0.18	
-208	H61	SLES	1	-4.60731	-5.81684	55.4332	HAL2	207	0	0	0	0.09	
-209	H62	SLES	1	-3.17251	-6.88686	55.4033	HAL2	207	0	0	0	0.09	
-210	C7	SLES	1	-2.69433	-4.7469	55.2833	CTL2	207	211	212	213	-0.18	
-211	H71	SLES	1	-3.06746	-3.73894	55.5823	HAL2	210	0	0	0	0.09	
-212	H72	SLES	1	-1.61503	-4.82249	55.5518	HAL2	210	0	0	0	0.09	
-213	C8	SLES	1	-2.88112	-4.95451	53.824	CTL2	210	214	215	216	-0.18	
-214	H81	SLES	1	-3.98892	-4.88675	53.6334	HAL2	213	0	0	0	0.09	
-215	H82	SLES	1	-2.50571	-5.99406	53.603	HAL2	213	0	0	0	0.09	
-216	C9	SLES	1	-2.22444	-4.04754	52.8427	CTL2	213	217	218	219	-0.18	
-217	H91	SLES	1	-2.57327	-3.00136	52.9927	HAL2	216	0	0	0	0.09	
-218	H92	SLES	1	-1.11844	-4.08777	52.9624	HAL2	216	0	0	0	0.09	
-219	C10	SLES	1	-2.7119	-4.66412	51.5332	CTL2	216	220	221	222	-0.18	
-220	H10	SLES	1	-3.83504	-4.66191	51.5048	HAL2	219	0	0	0	0.09	
-221	H10	SLES	1	-2.39079	-5.73972	51.4748	HAL2	219	0	0	0	0.09	
-222	C11	SLES	1	-2.22897	-3.98288	50.2941	CTL2	219	223	224	225	-0.18	
-223	H11	SLES	1	-2.5679	-2.92194	50.3452	HAL2	222	0	0	0	0.09	
-224	H11	SLES	1	-1.11475	-4.0059	50.3153	HAL2	222	0	0	0	0.09	
-225	C12	SLES	1	-2.79346	-4.7043	49.067	CTL3	222	226	227	228	-0.27	
-226	H12	SLES	1	-3.42963	-4.01371	48.4801	HAL3	225	0	0	0	0.09	
-227	H12	SLES	1	-1.96662	-5.10586	48.4494	HAL3	225	0	0	0	0.09	
-228	H12	SLES	1	-3.43727	-5.57526	49.3434	HAL3	225	0	0	0	0.09	
-229	NA	SLES	1	24.6115	1.64418	67.1462	NA	0	0	0	0	1	
-230	S	SLES	1	22.6065	-0.607557	66.8572	SL	231	232	233	234	1.33	
-231	OS1	SLES	1	22.6295	0.0495181	65.5392	OSL	230	235	0	0	-0.28	
-232	OS2	SLES	1	22.257	0.637759	67.5035	O2L	230	0	0	0	-0.65	
-233	OS3	SLES	1	24.023	-0.880562	66.7789	O2L	230	0	0	0	-0.65	
-234	OS4	SLES	1	21.6512	-1.67631	66.7723	O2L	230	0	0	0	-0.65	
-235	C2	SLES	1	21.9255	-0.293442	64.4132	CC32A	231	236	237	238	-0.11	
-236	H2A	SLES	1	20.821	-0.239842	64.6032	HCA2	235	0	0	0	0.09	
-237	H2B	SLES	1	22.2009	-1.32482	64.0668	HCA2	235	0	0	0	0.09	
-238	C1	SLES	1	22.38	0.785828	63.4071	CC32A	235	239	240	241	-0.01	
-239	H1B	SLES	1	22.1283	1.81251	63.7798	HCA2	238	0	0	0	0.09	
-240	H1A	SLES	1	23.4825	0.728524	63.2331	HCA2	238	0	0	0	0.09	
-241	O1	SLES	1	21.8546	0.763312	62.1196	OC30A	238	242	0	0	-0.34	
-242	C2	SLES	1	20.9092	-0.242648	61.805	CC32A	241	243	244	245	-0.01	
-243	H2A	SLES	1	20.0109	-0.164001	62.4821	HCA2	242	0	0	0	0.09	
-244	H2B	SLES	1	21.3486	-1.26114	61.9195	HCA2	242	0	0	0	0.09	
-245	C1	SLES	1	20.7282	0.478817	60.4202	CC32A	242	246	247	248	-0.01	
-246	H1B	SLES	1	19.668	0.65649	60.6441	HCA2	245	0	0	0	0.09	
-247	H1A	SLES	1	21.1782	-0.515444	60.0578	HCA2	245	0	0	0	0.09	
-248	O1	SLES	1	20.6069	0.661847	59.0332	OC30A	245	249	0	0	-0.34	
-249	C1	SLES	1	19.5897	-0.0556061	58.3488	CTL2	248	250	251	252	-0.18	
-250	H11	SLES	1	18.5665	-0.0306716	58.8175	HAL2	249	0	0	0	0.09	
-251	H12	SLES	1	19.8756	-1.13244	58.2433	HAL2	249	0	0	0	0.09	
-252	C2	SLES	1	19.6212	0.688909	57.0148	CTL2	249	253	254	255	-0.18	
-253	H21	SLES	1	19.2819	1.75006	57.0891	HAL2	252	0	0	0	0.09	
-254	H22	SLES	1	20.6232	0.661981	56.5214	HAL2	252	0	0	0	0.09	
-255	C3	SLES	1	18.6621	-0.0705721	56.1904	CTL2	252	256	257	258	-0.18	
-256	H31	SLES	1	17.6872	-0.00200562	56.7457	HAL2	255	0	0	0	0.09	
-257	H32	SLES	1	19.0665	-1.1202	56.1685	HAL2	255	0	0	0	0.09	
-258	C4	SLES	1	18.3838	0.312422	54.7731	CTL2	255	259	260	261	-0.18	
-259	H41	SLES	1	17.972	1.34952	54.7049	HAL2	258	0	0	0	0.09	
-260	H42	SLES	1	19.3078	0.266707	54.1502	HAL2	258	0	0	0	0.09	
-261	C5	SLES	1	17.3605	-0.785032	54.4513	CTL2	258	262	263	264	-0.18	
-262	H51	SLES	1	16.4904	-0.731426	55.1585	HAL2	261	0	0	0	0.09	
-263	H52	SLES	1	17.8104	-1.8004	54.6094	HAL2	261	0	0	0	0.09	
-264	C6	SLES	1	16.7919	-0.792326	53.0985	CTL2	261	265	266	267	-0.18	
-265	H61	SLES	1	15.6766	-0.739757	53.2264	HAL2	264	0	0	0	0.09	
-266	H62	SLES	1	17.0003	-1.81162	52.6756	HAL2	264	0	0	0	0.09	
-267	C7	SLES	1	17.2765	0.29928	52.1368	CTL2	264	268	269	270	-0.18	
-268	H71	SLES	1	17.0263	1.33595	52.4643	HAL2	267	0	0	0	0.09	
-269	H72	SLES	1	18.3662	0.250531	51.9066	HAL2	267	0	0	0	0.09	
-270	C8	SLES	1	16.477	-0.0712677	50.9405	CTL2	267	271	272	273	-0.18	
-271	H81	SLES	1	15.3964	-0.0213796	51.2535	HAL2	270	0	0	0	0.09	
-272	H82	SLES	1	16.7651	-1.13052	50.6847	HAL2	270	0	0	0	0.09	
-273	C9	SLES	1	16.5922	0.716524	49.6824	CTL2	270	274	275	276	-0.18	
-274	H91	SLES	1	16.2965	1.77424	49.8625	HAL2	273	0	0	0	0.09	
-275	H92	SLES	1	17.6387	0.685989	49.3042	HAL2	273	0	0	0	0.09	
-276	C10	SLES	1	15.608	-0.0423176	48.7947	CTL2	273	277	278	279	-0.18	
-277	H10	SLES	1	14.588	-0.0391775	49.2657	HAL2	276	0	0	0	0.09	
-278	H10	SLES	1	15.9205	-1.11881	48.7114	HAL2	276	0	0	0	0.09	
-279	C11	SLES	1	15.4645	0.492708	47.407	CTL2	276	280	281	282	-0.18	
-280	H11	SLES	1	15.1334	1.55386	47.493	HAL2	279	0	0	0	0.09	
-281	H11	SLES	1	16.4743	0.468091	46.9355	HAL2	279	0	0	0	0.09	
-282	C12	SLES	1	14.4523	-0.360704	46.6375	CTL3	279	283	284	285	-0.27	
-283	H12	SLES	1	13.5914	0.261463	46.3247	HAL3	282	0	0	0	0.09	
-284	H12	SLES	1	14.9411	-0.832578	45.7629	HAL3	282	0	0	0	0.09	
-285	H12	SLES	1	14.037	-1.19245	47.2581	HAL3	282	0	0	0	0.09	
-286	NA	SLES	1	20.1055	15.3421	66.8678	NA	0	0	0	0	1	
-287	S	SLES	1	18.2117	12.98	66.958	SL	288	289	290	291	1.33	
-288	OS1	SLES	1	18.3131	13.3288	65.5307	OSL	287	292	0	0	-0.28	
-289	OS2	SLES	1	17.7682	14.3174	67.2825	O2L	287	0	0	0	-0.65	
-290	OS3	SLES	1	19.639	12.7714	67.039	O2L	287	0	0	0	-0.65	
-291	OS4	SLES	1	17.3052	11.8702	67.0514	O2L	287	0	0	0	-0.65	
-292	C2	SLES	1	17.7115	12.7082	64.4658	CC32A	288	293	294	295	-0.11	
-293	H2A	SLES	1	16.5943	12.7444	64.5638	HCA2	292	0	0	0	0.09	
-294	H2B	SLES	1	18.05	11.6417	64.3797	HCA2	292	0	0	0	0.09	
-295	C1	SLES	1	18.2033	13.56	63.2757	CC32A	292	296	297	298	-0.01	
-296	H1B	SLES	1	17.8864	14.6291	63.3901	HCA2	295	0	0	0	0.09	
-297	H1A	SLES	1	19.3173	13.5237	63.1939	HCA2	295	0	0	0	0.09	
-298	O1	SLES	1	17.7805	13.2251	61.9938	OC30A	295	299	0	0	-0.34	
-299	C2	SLES	1	16.8994	12.1261	61.8505	CC32A	298	300	301	302	-0.01	
-300	H2A	SLES	1	15.949	12.3054	62.4302	HCA2	299	0	0	0	0.09	
-301	H2B	SLES	1	17.3652	11.1829	62.2206	HCA2	299	0	0	0	0.09	
-302	C1	SLES	1	16.8004	12.5121	60.3299	CC32A	299	303	304	305	-0.01	
-303	H1B	SLES	1	15.7203	12.6789	60.436	HCA2	302	0	0	0	0.09	
-304	H1A	SLES	1	17.3128	11.4873	60.2316	HCA2	302	0	0	0	0.09	
-305	O1	SLES	1	16.7805	12.3764	58.9323	OC30A	302	306	0	0	-0.34	
-306	C1	SLES	1	15.8461	11.4726	58.3598	CTL2	305	307	308	309	-0.18	
-307	H11	SLES	1	14.7894	11.5469	58.7407	HAL2	306	0	0	0	0.09	
-308	H12	SLES	1	16.1782	10.4158	58.5187	HAL2	306	0	0	0	0.09	
-309	C2	SLES	1	15.954	11.9035	56.8977	CTL2	306	310	311	312	-0.18	
-310	H21	SLES	1	15.5719	12.9353	56.7083	HAL2	309	0	0	0	0.09	
-311	H22	SLES	1	16.9917	11.8206	56.4918	HAL2	309	0	0	0	0.09	
-312	C3	SLES	1	15.0899	10.9308	56.2025	CTL2	309	313	314	315	-0.18	
-313	H31	SLES	1	14.0731	11.0693	56.661	HAL2	312	0	0	0	0.09	
-314	H32	SLES	1	15.5326	9.92518	56.4446	HAL2	312	0	0	0	0.09	
-315	C4	SLES	1	14.9088	10.9749	54.7198	CTL2	312	316	317	318	-0.18	
-316	H41	SLES	1	14.4663	11.9479	54.3925	HAL2	315	0	0	0	0.09	
-317	H42	SLES	1	15.8794	10.8409	54.1871	HAL2	315	0	0	0	0.09	
-318	C5	SLES	1	13.9539	9.78108	54.5848	CTL2	315	319	320	321	-0.18	
-319	H51	SLES	1	13.0302	9.94424	55.2015	HAL2	318	0	0	0	0.09	
-320	H52	SLES	1	14.4267	8.85114	54.9972	HAL2	318	0	0	0	0.09	
-321	C6	SLES	1	13.4926	9.44419	53.2332	CTL2	318	322	323	324	-0.18	
-322	H61	SLES	1	12.3696	9.46502	53.2703	HAL2	321	0	0	0	0.09	
-323	H62	SLES	1	13.77	8.36891	53.0654	HAL2	321	0	0	0	0.09	
-324	C7	SLES	1	14.0106	10.3194	52.0855	CTL2	321	325	326	327	-0.18	
-325	H71	SLES	1	13.6983	11.3882	52.1538	HAL2	324	0	0	0	0.09	
-326	H72	SLES	1	15.1159	10.2783	51.9463	HAL2	324	0	0	0	0.09	
-327	C8	SLES	1	13.3202	9.65135	50.952	CTL2	324	328	329	330	-0.18	
-328	H81	SLES	1	12.2175	9.71243	51.1721	HAL2	327	0	0	0	0.09	
-329	H82	SLES	1	13.6655	8.57841	50.9611	HAL2	327	0	0	0	0.09	
-330	C9	SLES	1	13.5041	10.1456	49.5597	CTL2	327	331	332	333	-0.18	
-331	H91	SLES	1	13.1572	11.1999	49.4769	HAL2	330	0	0	0	0.09	
-332	H92	SLES	1	14.5772	10.0871	49.2696	HAL2	330	0	0	0	0.09	
-333	C10	SLES	1	12.6198	9.15813	48.801	CTL2	330	334	335	336	-0.18	
-334	H10	SLES	1	11.5669	9.21192	49.1893	HAL2	333	0	0	0	0.09	
-335	H10	SLES	1	12.9766	8.10795	48.9833	HAL2	333	0	0	0	0.09	
-336	C11	SLES	1	12.5652	9.36393	47.3221	CTL2	333	337	338	339	-0.18	
-337	H11	SLES	1	12.1902	10.3988	47.1447	HAL2	336	0	0	0	0.09	
-338	H11	SLES	1	13.6087	9.2886	46.9375	HAL2	336	0	0	0	0.09	
-339	C12	SLES	1	11.6473	8.30913	46.6978	CTL3	336	340	341	342	-0.27	
-340	H12	SLES	1	10.7913	8.80028	46.1956	HAL3	339	0	0	0	0.09	
-341	H12	SLES	1	12.2192	7.68152	45.9868	HAL3	339	0	0	0	0.09	
-342	H12	SLES	1	11.2155	7.61496	47.4601	HAL3	339	0	0	0	0.09	
-343	NA	SLES	1	8.45399	23.8099	66.8788	NA	0	0	0	0	1	
-344	S	SLES	1	6.65284	21.3758	66.9487	SL	345	346	347	348	1.33	
-345	OS1	SLES	1	7.017	21.5359	65.5306	OSL	344	349	0	0	-0.28	
-346	OS2	SLES	1	6.11372	22.7167	66.991	O2L	344	0	0	0	-0.65	
-347	OS3	SLES	1	8.04345	21.2626	67.3238	O2L	344	0	0	0	-0.65	
-348	OS4	SLES	1	5.78041	20.238	67.0281	O2L	344	0	0	0	-0.65	
-349	C2	SLES	1	6.65192	20.7448	64.4714	CC32A	345	350	351	352	-0.11	
-350	H2A	SLES	1	5.53629	20.7292	64.3528	HCA2	349	0	0	0	0.09	
-351	H2B	SLES	1	7.03378	19.6976	64.6027	HCA2	349	0	0	0	0.09	
-352	C1	SLES	1	7.33746	21.4567	63.2853	CC32A	349	353	354	355	-0.01	
-353	H1B	SLES	1	6.97138	22.5114	63.1852	HCA2	352	0	0	0	0.09	
-354	H1A	SLES	1	8.44696	21.4742	63.4191	HCA2	352	0	0	0	0.09	
-355	O1	SLES	1	7.1808	20.9295	62.008	OC30A	352	356	0	0	-0.34	
-356	C2	SLES	1	6.37853	19.7722	61.8603	CC32A	355	357	358	359	-0.01	
-357	H2A	SLES	1	5.32902	19.9723	62.2208	HCA2	356	0	0	0	0.09	
-358	H2B	SLES	1	6.79325	18.9155	62.4413	HCA2	356	0	0	0	0.09	
-359	C1	SLES	1	6.56303	19.945	60.3089	CC32A	356	360	361	362	-0.01	
-360	H1B	SLES	1	5.47814	20.0619	60.1864	HCA2	359	0	0	0	0.09	
-361	H1A	SLES	1	7.11642	18.9476	60.4549	HCA2	359	0	0	0	0.09	
-362	O1	SLES	1	6.81759	19.6228	58.966	OC30A	359	363	0	0	-0.34	
-363	C1	SLES	1	6.03986	18.5981	58.3635	CTL2	362	364	365	366	-0.18	
-364	H11	SLES	1	4.92769	18.6616	58.5257	HAL2	363	0	0	0	0.09	
-365	H12	SLES	1	6.36774	17.593	58.7304	HAL2	363	0	0	0	0.09	
-366	C2	SLES	1	6.41457	18.8351	56.9012	CTL2	363	367	368	369	-0.18	
-367	H21	SLES	1	6.04424	19.8086	56.4989	HAL2	366	0	0	0	0.09	
-368	H22	SLES	1	7.51313	18.7588	56.7123	HAL2	366	0	0	0	0.09	
-369	C3	SLES	1	5.73161	17.7299	56.2023	CTL2	366	370	371	372	-0.18	
-370	H31	SLES	1	4.64158	17.8696	56.4383	HAL2	369	0	0	0	0.09	
-371	H32	SLES	1	6.15029	16.793	56.6634	HAL2	369	0	0	0	0.09	
-372	C4	SLES	1	5.83882	17.5648	54.721	CTL2	369	373	374	375	-0.18	
-373	H41	SLES	1	5.4378	18.4582	54.1817	HAL2	372	0	0	0	0.09	
-374	H42	SLES	1	6.89774	17.4171	54.4036	HAL2	372	0	0	0	0.09	
-375	C5	SLES	1	4.96561	16.3106	54.5812	CTL2	372	376	377	378	-0.18	
-376	H51	SLES	1	3.93566	16.5012	54.9848	HAL2	375	0	0	0	0.09	
-377	H52	SLES	1	5.37858	15.473	55.2028	HAL2	375	0	0	0	0.09	
-378	C6	SLES	1	4.78464	15.7699	53.2291	CTL2	375	379	380	381	-0.18	
-379	H61	SLES	1	3.67552	15.7307	53.0525	HAL2	378	0	0	0	0.09	
-380	H62	SLES	1	5.12253	14.6997	53.2708	HAL2	378	0	0	0	0.09	
-381	C7	SLES	1	5.48699	16.5122	52.0858	CTL2	378	382	383	384	-0.18	
-382	H71	SLES	1	5.1343	17.5608	51.9418	HAL2	381	0	0	0	0.09	
-383	H72	SLES	1	6.59909	16.5167	52.1629	HAL2	381	0	0	0	0.09	
-384	C8	SLES	1	5.04958	15.6599	50.9501	CTL2	381	385	386	387	-0.18	
-385	H81	SLES	1	3.92377	15.6861	50.9493	HAL2	384	0	0	0	0.09	
-386	H82	SLES	1	5.41976	14.6195	51.1761	HAL2	384	0	0	0	0.09	
-387	C9	SLES	1	5.48332	15.9733	49.5607	CTL2	384	388	389	390	-0.18	
-388	H91	SLES	1	5.12627	16.9852	49.2654	HAL2	387	0	0	0	0.09	
-389	H92	SLES	1	6.59356	15.9386	49.4876	HAL2	387	0	0	0	0.09	
-390	C10	SLES	1	4.79331	14.8439	48.7986	CTL2	387	391	392	393	-0.18	
-391	H10	SLES	1	3.6841	14.8882	48.9716	HAL2	390	0	0	0	0.09	
-392	H10	SLES	1	5.14071	13.8499	49.1919	HAL2	390	0	0	0	0.09	
-393	C11	SLES	1	5.01885	14.8465	47.3215	CTL2	390	394	395	396	-0.18	
-394	H11	SLES	1	4.65319	15.825	46.9318	HAL2	393	0	0	0	0.09	
-395	H11	SLES	1	6.1188	14.7808	47.1534	HAL2	393	0	0	0	0.09	
-396	C12	SLES	1	4.27203	13.6665	46.6933	CTL3	393	397	398	399	-0.27	
-397	H12	SLES	1	3.51423	14.0359	45.9754	HAL3	396	0	0	0	0.09	
-398	H12	SLES	1	4.98969	12.9835	46.1983	HAL3	396	0	0	0	0.09	
-399	H12	SLES	1	3.723	13.0568	47.4523	HAL3	396	0	0	0	0.09	
-400	NA	SLES	1	-5.96839	23.866	67.1749	NA	0	0	0	0	1	
-401	S	SLES	1	-7.62567	21.3539	66.8329	SL	402	403	404	405	1.33	
-402	OS1	SLES	1	-6.94621	21.5375	65.5391	OSL	401	406	0	0	-0.28	
-403	OS2	SLES	1	-8.21866	22.6693	66.7403	O2L	401	0	0	0	-0.65	
-404	OS3	SLES	1	-6.35839	21.3006	67.5245	O2L	401	0	0	0	-0.65	
-405	OS4	SLES	1	-8.44093	20.1781	66.7112	O2L	401	0	0	0	-0.65	
-406	C2	SLES	1	-7.01687	20.7366	64.4279	CC32A	402	407	408	409	-0.11	
-407	H2A	SLES	1	-8.07165	20.6721	64.0508	HCA2	406	0	0	0	0.09	
-408	H2B	SLES	1	-6.6304	19.7067	64.6508	HCA2	406	0	0	0	0.09	
-409	C1	SLES	1	-6.10434	21.4845	63.4322	CC32A	406	410	411	412	-0.01	
-410	H1B	SLES	1	-6.48314	22.5224	63.2433	HCA2	409	0	0	0	0.09	
-411	H1A	SLES	1	-5.05917	21.5505	63.8227	HCA2	409	0	0	0	0.09	
-412	O1	SLES	1	-5.93313	20.9576	62.1566	OC30A	409	413	0	0	-0.34	
-413	C2	SLES	1	-6.62609	19.7666	61.8308	CC32A	412	414	415	416	-0.01	
-414	H2A	SLES	1	-7.73872	19.918	61.9338	HCA2	413	0	0	0	0.09	
-415	H2B	SLES	1	-6.32174	18.9261	62.4975	HCA2	413	0	0	0	0.09	
-416	C1	SLES	1	-6.09035	19.9557	60.3652	CC32A	413	417	418	419	-0.01	
-417	H1B	SLES	1	-7.12025	20.0249	59.9908	HCA2	416	0	0	0	0.09	
-418	H1A	SLES	1	-5.54297	18.9831	60.6424	HCA2	416	0	0	0	0.09	
-419	O1	SLES	1	-5.51355	19.6522	59.1213	OC30A	416	420	0	0	-0.34	
-420	C1	SLES	1	-6.08177	18.5972	58.3585	CTL2	419	421	422	423	-0.18	
-421	H11	SLES	1	-7.20263	18.6103	58.2547	HAL2	420	0	0	0	0.09	
-422	H12	SLES	1	-5.8049	17.6057	58.7975	HAL2	420	0	0	0	0.09	
-423	C2	SLES	1	-5.3851	18.8583	57.0238	CTL2	420	424	425	426	-0.18	
-424	H21	SLES	1	-5.69348	19.8165	56.5406	HAL2	423	0	0	0	0.09	
-425	H22	SLES	1	-4.27063	18.8318	57.0985	HAL2	423	0	0	0	0.09	
-426	C3	SLES	1	-5.8351	17.7276	56.19	CTL2	423	427	428	429	-0.18	
-427	H31	SLES	1	-6.95517	17.8175	56.1627	HAL2	426	0	0	0	0.09	
-428	H32	SLES	1	-5.4952	16.8078	56.7415	HAL2	426	0	0	0	0.09	
-429	C4	SLES	1	-5.37586	17.5753	54.7762	CTL2	426	430	431	432	-0.18	
-430	H41	SLES	1	-5.67832	18.4528	54.1531	HAL2	429	0	0	0	0.09	
-431	H42	SLES	1	-4.26653	17.4764	54.717	HAL2	429	0	0	0	0.09	
-432	C5	SLES	1	-6.13524	16.2843	54.4419	CTL2	429	433	434	435	-0.18	
-433	H51	SLES	1	-7.23859	16.4268	54.5914	HAL2	432	0	0	0	0.09	
-434	H52	SLES	1	-5.84297	15.4626	55.1475	HAL2	432	0	0	0	0.09	
-435	C6	SLES	1	-5.9695	15.7432	53.088	CTL2	432	436	437	438	-0.18	
-436	H61	SLES	1	-7.00327	15.6557	52.6561	HAL2	435	0	0	0	0.09	
-437	H62	SLES	1	-5.60365	14.6889	53.2135	HAL2	435	0	0	0	0.09	
-438	C7	SLES	1	-5.05202	16.522	52.1376	CTL2	435	439	440	441	-0.18	
-439	H71	SLES	1	-5.40724	17.5546	51.9092	HAL2	438	0	0	0	0.09	
-440	H72	SLES	1	-3.99043	16.5755	52.4736	HAL2	438	0	0	0	0.09	
-441	C8	SLES	1	-5.17225	15.6571	50.9355	CTL2	438	442	443	444	-0.18	
-442	H81	SLES	1	-6.26642	15.6333	50.6703	HAL2	441	0	0	0	0.09	
-443	H82	SLES	1	-4.81964	14.6331	51.2476	HAL2	441	0	0	0	0.09	
-444	C9	SLES	1	-4.43878	15.9968	49.6851	CTL2	441	445	446	447	-0.18	
-445	H91	SLES	1	-4.76109	16.9935	49.3089	HAL2	444	0	0	0	0.09	
-446	H92	SLES	1	-3.34198	16.0119	49.8749	HAL2	444	0	0	0	0.09	
-447	C10	SLES	1	-4.87968	14.8419	48.7883	CTL2	444	448	449	450	-0.18	
-448	H10	SLES	1	-5.99936	14.8361	48.6958	HAL2	447	0	0	0	0.09	
-449	H10	SLES	1	-4.59055	13.8623	49.2574	HAL2	447	0	0	0	0.09	
-450	C11	SLES	1	-4.314	14.8624	47.4055	CTL2	447	451	452	453	-0.18	
-451	H11	SLES	1	-4.62101	15.8258	46.9356	HAL2	450	0	0	0	0.09	
-452	H11	SLES	1	-3.20352	14.8465	47.5007	HAL2	450	0	0	0	0.09	
-453	C12	SLES	1	-4.83926	13.6537	46.6257	CTL3	450	454	455	456	-0.27	
-454	H12	SLES	1	-5.42296	13.9929	45.748	HAL3	453	0	0	0	0.09	
-455	H12	SLES	1	-3.99584	13.0059	46.3167	HAL3	453	0	0	0	0.09	
-456	H12	SLES	1	-5.52352	13.0162	47.2378	HAL3	453	0	0	0	0.09	
-457	NA	SLES	1	-17.7264	15.4327	67.643	NA	0	0	0	0	1	
-458	S	SLES	1	-19.1428	12.9445	66.6546	SL	459	460	461	462	1.33	
-459	OS1	SLES	1	-18.2453	13.3314	65.5528	OSL	458	463	0	0	-0.28	
-460	OS2	SLES	1	-19.783	14.2407	66.6261	O2L	458	0	0	0	-0.65	
-461	OS3	SLES	1	-18.0261	12.8328	67.5645	O2L	458	0	0	0	-0.65	
-462	OS4	SLES	1	-19.8517	11.7732	66.2217	O2L	458	0	0	0	-0.65	
-463	C2	SLES	1	-18.0608	12.6949	64.3519	CC32A	459	464	465	466	-0.11	
-464	H2A	SLES	1	-19.021	12.652	63.7731	HCA2	463	0	0	0	0.09	
-465	H2B	SLES	1	-17.664	11.6564	64.5055	HCA2	463	0	0	0	0.09	
-466	C1	SLES	1	-17.023	13.605	63.6603	CC32A	463	467	468	469	-0.01	
-467	H1B	SLES	1	-17.4191	14.6469	63.5423	HCA2	466	0	0	0	0.09	
-468	H1A	SLES	1	-16.0748	13.6472	64.2505	HCA2	466	0	0	0	0.09	
-469	O1	SLES	1	-16.5863	13.2706	62.3829	OC30A	466	470	0	0	-0.34	
-470	C2	SLES	1	-17.1363	12.117	61.7733	CC32A	469	471	472	473	-0.01	
-471	H2A	SLES	1	-18.2554	12.2176	61.6787	HCA2	470	0	0	0	0.09	
-472	H2B	SLES	1	-16.9139	11.2001	62.3676	HCA2	470	0	0	0	0.09	
-473	C1	SLES	1	-16.348	12.5293	60.4773	CC32A	470	474	475	476	-0.01	
-474	H1B	SLES	1	-17.2921	12.619	59.9238	HCA2	473	0	0	0	0.09	
-475	H1A	SLES	1	-15.8068	11.5447	60.7223	HCA2	473	0	0	0	0.09	
-476	O1	SLES	1	-15.5324	12.424	59.339	OC30A	473	477	0	0	-0.34	
-477	C1	SLES	1	-15.8862	11.4711	58.3467	CTL2	476	478	479	480	-0.18	
-478	H11	SLES	1	-16.9668	11.464	58.0312	HAL2	477	0	0	0	0.09	
-479	H12	SLES	1	-15.6395	10.4363	58.6943	HAL2	477	0	0	0	0.09	
-480	C2	SLES	1	-14.9687	11.941	57.2188	CTL2	477	481	482	483	-0.18	
-481	H21	SLES	1	-15.2362	12.9481	56.8177	HAL2	480	0	0	0	0.09	
-482	H22	SLES	1	-13.8882	11.9389	57.503	HAL2	480	0	0	0	0.09	
-483	C3	SLES	1	-15.189	10.927	56.1702	CTL2	480	484	485	486	-0.18	
-484	H31	SLES	1	-16.2875	10.985	55.9395	HAL2	483	0	0	0	0.09	
-485	H32	SLES	1	-14.9056	9.94906	56.6489	HAL2	483	0	0	0	0.09	
-486	C4	SLES	1	-14.4656	10.9917	54.8642	CTL2	483	487	488	489	-0.18	
-487	H41	SLES	1	-14.6965	11.9391	54.3175	HAL2	486	0	0	0	0.09	
-488	H42	SLES	1	-13.361	10.9369	55.0077	HAL2	486	0	0	0	0.09	
-489	C5	SLES	1	-15.0734	9.73843	54.22	CTL2	486	490	491	492	-0.18	
-490	H51	SLES	1	-16.1916	9.82381	54.1714	HAL2	489	0	0	0	0.09	
-491	H52	SLES	1	-14.8712	8.8342	54.8524	HAL2	489	0	0	0	0.09	
-492	C6	SLES	1	-14.6267	9.40098	52.8636	CTL2	489	493	494	495	-0.18	
-493	H61	SLES	1	-15.5547	9.34368	52.2325	HAL2	492	0	0	0	0.09	
-494	H62	SLES	1	-14.2305	8.35137	52.9153	HAL2	492	0	0	0	0.09	
-495	C7	SLES	1	-13.5943	10.3353	52.2211	CTL2	492	496	497	498	-0.18	
-496	H71	SLES	1	-13.9596	11.3783	52.0687	HAL2	495	0	0	0	0.09	
-497	H72	SLES	1	-12.619	10.3734	52.7598	HAL2	495	0	0	0	0.09	
-498	C8	SLES	1	-13.4377	9.64687	50.9138	CTL2	495	499	500	501	-0.18	
-499	H81	SLES	1	-14.4598	9.62701	50.4415	HAL2	498	0	0	0	0.09	
-500	H82	SLES	1	-13.0911	8.6003	51.1482	HAL2	498	0	0	0	0.09	
-501	C9	SLES	1	-12.5043	10.1837	49.8854	CTL2	498	502	503	504	-0.18	
-502	H91	SLES	1	-12.8077	11.2132	49.5908	HAL2	501	0	0	0	0.09	
-503	H92	SLES	1	-11.465	10.2057	50.2836	HAL2	501	0	0	0	0.09	
-504	C10	SLES	1	-12.7025	9.15498	48.7741	CTL2	501	505	506	507	-0.18	
-505	H10	SLES	1	-13.7829	9.1275	48.4673	HAL2	504	0	0	0	0.09	
-506	H10	SLES	1	-12.4501	8.12801	49.1549	HAL2	504	0	0	0	0.09	
-507	C11	SLES	1	-11.8906	9.38963	47.5419	CTL2	504	508	509	510	-0.18	
-508	H11	SLES	1	-12.1595	10.4	47.1547	HAL2	507	0	0	0	0.09	
-509	H11	SLES	1	-10.8184	9.3949	47.8467	HAL2	507	0	0	0	0.09	
-510	C12	SLES	1	-12.1902	8.28844	46.5209	CTL3	507	511	512	513	-0.27	
-511	H12	SLES	1	-12.6182	8.73068	45.6004	HAL3	510	0	0	0	0.09	
-512	H12	SLES	1	-11.268	7.71776	46.2968	HAL3	510	0	0	0	0.09	
-513	H12	SLES	1	-12.9389	7.5493	46.8986	HAL3	510	0	0	0	0.09	
-514	NA	SLES	1	-22.2983	1.64418	68.1043	NA	0	0	0	0	1	
-515	S	SLES	1	-23.5118	-0.607557	66.4822	SL	516	517	518	519	1.33	
-516	OS1	SLES	1	-22.5636	0.0495181	65.5665	OSL	515	520	0	0	-0.28	
-517	OS2	SLES	1	-24.2159	0.637759	66.6921	O2L	515	0	0	0	-0.65	
-518	OS3	SLES	1	-22.4548	-0.880562	67.4285	O2L	515	0	0	0	-0.65	
-519	OS4	SLES	1	-24.1272	-1.67631	65.7467	O2L	515	0	0	0	-0.65	
-520	C2	SLES	1	-22.2651	-0.293442	64.2725	CC32A	516	521	522	523	-0.11	
-521	H2A	SLES	1	-23.1805	-0.239842	63.6258	HCA2	520	0	0	0	0.09	
-522	H2B	SLES	1	-21.8255	-1.32482	64.2223	HCA2	520	0	0	0	0.09	
-523	C1	SLES	1	-21.2324	0.785828	63.8824	CC32A	520	524	525	526	-0.01	
-524	H1B	SLES	1	-21.6739	1.81251	63.968	HCA2	523	0	0	0	0.09	
-525	H1A	SLES	1	-20.3297	0.728524	64.539	HCA2	523	0	0	0	0.09	
-526	O1	SLES	1	-20.6935	0.763312	62.6006	OC30A	523	527	0	0	-0.34	
-527	C2	SLES	1	-21.1396	-0.242648	61.7096	CC32A	526	528	529	530	-0.01	
-528	H2A	SLES	1	-22.2535	-0.164001	61.5531	HCA2	527	0	0	0	0.09	
-529	H2B	SLES	1	-20.9098	-1.26114	62.1013	HCA2	527	0	0	0	0.09	
-530	C1	SLES	1	-20.2883	0.478817	60.6024	CC32A	527	531	532	533	-0.01	
-531	H1B	SLES	1	-21.1963	0.65649	60.0111	HCA2	530	0	0	0	0.09	
-532	H1A	SLES	1	-19.7139	-0.515444	60.6643	HCA2	530	0	0	0	0.09	
-533	O1	SLES	1	-19.3933	0.661847	59.5359	OC30A	530	534	0	0	-0.34	
-534	C1	SLES	1	-19.6287	-0.0556061	58.3327	CTL2	533	535	536	537	-0.18	
-535	H11	SLES	1	-20.6836	-0.0306716	57.9406	HAL2	534	0	0	0	0.09	
-536	H12	SLES	1	-19.3518	-1.13244	58.4603	HAL2	534	0	0	0	0.09	
-537	C2	SLES	1	-18.6631	0.688909	57.4116	CTL2	534	538	539	540	-0.18	
-538	H21	SLES	1	-18.9555	1.75006	57.2243	HAL2	537	0	0	0	0.09	
-539	H22	SLES	1	-17.6056	0.661981	57.7713	HAL2	537	0	0	0	0.09	
-540	C3	SLES	1	-18.7584	-0.0705721	56.1505	CTL2	537	541	542	543	-0.18	
-541	H31	SLES	1	-19.8404	-0.00200562	55.8539	HAL2	540	0	0	0	0.09	
-542	H32	SLES	1	-18.4569	-1.1202	56.421	HAL2	540	0	0	0	0.09	
-543	C4	SLES	1	-17.9529	0.312422	54.9515	CTL2	540	544	545	546	-0.18	
-544	H41	SLES	1	-18.1959	1.34952	54.6122	HAL2	543	0	0	0	0.09	
-545	H42	SLES	1	-16.8591	0.266707	55.1645	HAL2	543	0	0	0	0.09	
-546	C5	SLES	1	-18.449	-0.785032	54.0004	CTL2	543	547	548	549	-0.18	
-547	H51	SLES	1	-19.5643	-0.731426	53.8853	HAL2	546	0	0	0	0.09	
-548	H52	SLES	1	-18.2426	-1.8004	54.4303	HAL2	546	0	0	0	0.09	
-549	C6	SLES	1	-17.8945	-0.792326	52.6418	CTL2	546	550	551	552	-0.18	
-550	H61	SLES	1	-18.7736	-0.739757	51.9436	HAL2	549	0	0	0	0.09	
-551	H62	SLES	1	-17.448	-1.81162	52.4901	HAL2	549	0	0	0	0.09	
-552	C7	SLES	1	-16.8717	0.29928	52.3044	CTL2	549	553	554	555	-0.18	
-553	H71	SLES	1	-17.2803	1.33595	52.3591	HAL2	552	0	0	0	0.09	
-554	H72	SLES	1	-15.9385	0.250531	52.9122	HAL2	552	0	0	0	0.09	
-555	C8	SLES	1	-16.5912	-0.0712677	50.8932	CTL2	552	556	557	558	-0.18	
-556	H81	SLES	1	-17.5766	-0.0213796	50.3505	HAL2	555	0	0	0	0.09	
-557	H82	SLES	1	-16.2066	-1.13052	50.916	HAL2	555	0	0	0	0.09	
-558	C9	SLES	1	-15.6201	0.716524	50.085	CTL2	555	559	560	561	-0.18	
-559	H91	SLES	1	-15.9566	1.77424	50.0033	HAL2	558	0	0	0	0.09	
-560	H92	SLES	1	-14.6127	0.685989	50.5576	HAL2	558	0	0	0	0.09	
-561	C10	SLES	1	-15.6884	-0.0423176	48.7614	CTL2	558	562	563	564	-0.18	
-562	H10	SLES	1	-16.7427	-0.0391775	48.3732	HAL2	561	0	0	0	0.09	
-563	H10	SLES	1	-15.4085	-1.11881	48.9235	HAL2	561	0	0	0	0.09	
-564	C11	SLES	1	-14.8085	0.492708	47.6787	CTL2	561	565	566	567	-0.18	
-565	H11	SLES	1	-15.1035	1.55386	47.5054	HAL2	564	0	0	0	0.09	
-566	H11	SLES	1	-13.7612	0.468091	48.0593	HAL2	564	0	0	0	0.09	
-567	C12	SLES	1	-14.9802	-0.360704	46.4189	CTL3	564	568	569	570	-0.27	
-568	H12	SLES	1	-15.3678	0.261463	45.5889	HAL3	567	0	0	0	0.09	
-569	H12	SLES	1	-14.0162	-0.832578	46.1461	HAL3	567	0	0	0	0.09	
-570	H12	SLES	1	-15.7127	-1.19245	46.5641	HAL3	567	0	0	0	0.09	
-571	NA	SLES	1	-17.8454	-12.2308	68.3827	NA	0	0	0	0	1	
-572	S	SLES	1	-19.0988	-14.1277	66.3813	SL	573	574	575	576	1.33	
-573	OS1	SLES	1	-18.2489	-13.235	65.575	OSL	572	577	0	0	-0.28	
-574	OS2	SLES	1	-19.8291	-12.9987	66.913	O2L	572	0	0	0	-0.65	
-575	OS3	SLES	1	-17.9624	-14.5476	67.1684	O2L	572	0	0	0	-0.65	
-576	OS4	SLES	1	-19.7303	-15.0377	65.4676	O2L	572	0	0	0	-0.65	
-577	C2	SLES	1	-18.0395	-13.2664	64.2199	CC32A	573	578	579	580	-0.11	
-578	H2A	SLES	1	-19.0036	-13.119	63.6652	HCA2	577	0	0	0	0.09	
-579	H2B	SLES	1	-17.5681	-14.2364	63.9095	HCA2	577	0	0	0	0.09	
-580	C1	SLES	1	-17.0799	-12.0747	64.0138	CC32A	577	581	582	583	-0.01	
-581	H1B	SLES	1	-17.5503	-11.1172	64.3577	HCA2	580	0	0	0	0.09	
-582	H1A	SLES	1	-16.1275	-12.2285	64.5782	HCA2	580	0	0	0	0.09	
-583	O1	SLES	1	-16.6416	-11.7841	62.7263	OC30A	580	584	0	0	-0.34	
-584	C2	SLES	1	-17.1188	-12.5896	61.6641	CC32A	583	585	586	587	-0.01	
-585	H2A	SLES	1	-18.2436	-12.5369	61.605	HCA2	584	0	0	0	0.09	
-586	H2B	SLES	1	-16.8226	-13.656	61.8003	HCA2	584	0	0	0	0.09	
-587	C1	SLES	1	-16.3827	-11.5968	60.6927	CC32A	584	588	589	590	-0.01	
-588	H1B	SLES	1	-17.3396	-11.3406	60.2192	HCA2	587	0	0	0	0.09	
-589	H1A	SLES	1	-15.7695	-12.5484	60.4905	HCA2	587	0	0	0	0.09	
-590	O1	SLES	1	-15.5803	-11.1351	59.6368	OC30A	587	591	0	0	-0.34	
-591	C1	SLES	1	-15.8822	-11.5794	58.3217	CTL2	590	592	593	594	-0.18	
-592	H11	SLES	1	-16.9646	-11.5237	58.0174	HAL2	591	0	0	0	0.09	
-593	H12	SLES	1	-15.5575	-12.6416	58.1848	HAL2	591	0	0	0	0.09	
-594	C2	SLES	1	-15.0186	-10.5994	57.5287	CTL2	591	595	596	597	-0.18	
-595	H21	SLES	1	-15.3629	-9.54006	57.605	HAL2	594	0	0	0	0.09	
-596	H22	SLES	1	-13.9361	-10.6497	57.8008	HAL2	594	0	0	0	0.09	
-597	C3	SLES	1	-15.1839	-11.0644	56.1385	CTL2	594	598	599	600	-0.18	
-598	H31	SLES	1	-16.2874	-10.9889	55.9386	HAL2	597	0	0	0	0.09	
-599	H32	SLES	1	-14.8245	-12.1305	56.1449	HAL2	597	0	0	0	0.09	
-600	C4	SLES	1	-14.4883	-10.3833	55.0048	CTL2	597	601	602	603	-0.18	
-601	H41	SLES	1	-14.7942	-9.31107	54.9246	HAL2	600	0	0	0	0.09	
-602	H42	SLES	1	-13.3803	-10.4175	55.1276	HAL2	600	0	0	0	0.09	
-603	C5	SLES	1	-15.0166	-11.2672	53.8669	CTL2	600	604	605	606	-0.18	
-604	H51	SLES	1	-16.1386	-11.2482	53.8423	HAL2	603	0	0	0	0.09	
-605	H52	SLES	1	-14.7408	-12.3403	54.0425	HAL2	603	0	0	0	0.09	
-606	C6	SLES	1	-14.5693	-10.944	52.5072	CTL2	603	607	608	609	-0.18	
-607	H61	SLES	1	-15.5012	-10.7843	51.8997	HAL2	606	0	0	0	0.09	
-608	H62	SLES	1	-14.0993	-11.8793	52.1003	HAL2	606	0	0	0	0.09	
-609	C7	SLES	1	-13.6159	-9.75244	52.3557	CTL2	606	610	611	612	-0.18	
-610	H71	SLES	1	-14.0563	-8.77666	52.6697	HAL2	609	0	0	0	0.09	
-611	H72	SLES	1	-12.6372	-9.88551	52.8725	HAL2	609	0	0	0	0.09	
-612	C8	SLES	1	-13.4325	-9.78566	50.8817	CTL2	609	613	614	615	-0.18	
-613	H81	SLES	1	-14.4582	-9.66865	50.4319	HAL2	612	0	0	0	0.09	
-614	H82	SLES	1	-13.0092	-10.8019	50.6397	HAL2	612	0	0	0	0.09	
-615	C9	SLES	1	-12.5562	-8.78832	50.2077	CTL2	612	616	617	618	-0.18	
-616	H91	SLES	1	-12.9361	-7.75802	50.3889	HAL2	615	0	0	0	0.09	
-617	H92	SLES	1	-11.5147	-8.86979	50.5922	HAL2	615	0	0	0	0.09	
-618	C10	SLES	1	-12.6994	-9.23739	48.755	CTL2	615	619	620	621	-0.18	
-619	H10	SLES	1	-13.7801	-9.20379	48.4496	HAL2	618	0	0	0	0.09	
-620	H10	SLES	1	-12.3691	-10.3068	48.6516	HAL2	618	0	0	0	0.09	
-621	C11	SLES	1	-11.9262	-8.43013	47.7636	CTL2	618	622	623	624	-0.18	
-622	H11	SLES	1	-12.2719	-7.37401	47.8537	HAL2	621	0	0	0	0.09	
-623	H11	SLES	1	-10.8523	-8.48334	48.0573	HAL2	621	0	0	0	0.09	
-624	C12	SLES	1	-12.1641	-8.99088	46.3586	CTL3	621	625	626	627	-0.27	
-625	H12	SLES	1	-12.6372	-8.2215	45.718	HAL3	624	0	0	0	0.09	
-626	H12	SLES	1	-11.2077	-9.33913	45.9222	HAL3	624	0	0	0	0.09	
-627	H12	SLES	1	-12.8525	-9.87149	46.3621	HAL3	624	0	0	0	0.09	
-628	NA	SLES	1	-6.04196	-20.804	68.3717	NA	0	0	0	0	1	
-629	S	SLES	1	-7.59849	-22.4853	66.3906	SL	630	631	632	633	1.33	
-630	OS1	SLES	1	-6.94843	-21.4453	65.5751	OSL	629	634	0	0	-0.28	
-631	OS2	SLES	1	-8.2472	-21.4816	67.2045	O2L	629	0	0	0	-0.65	
-632	OS3	SLES	1	-6.31899	-22.9404	66.8836	O2L	629	0	0	0	-0.65	
-633	OS4	SLES	1	-8.36592	-23.2999	65.491	O2L	629	0	0	0	-0.65	
-634	C2	SLES	1	-7.00374	-21.283	64.2143	CC32A	630	635	636	637	-0.11	
-635	H2A	SLES	1	-8.06092	-21.1187	63.8762	HCA2	634	0	0	0	0.09	
-636	H2B	SLES	1	-6.57113	-22.1739	63.6864	HCA2	634	0	0	0	0.09	
-637	C1	SLES	1	-6.1395	-20.0211	64.0042	CC32A	634	638	639	640	-0.01	
-638	H1B	SLES	1	-6.56424	-19.147	64.5627	HCA2	637	0	0	0	0.09	
-639	H1A	SLES	1	-5.09177	-20.1938	64.353	HCA2	637	0	0	0	0.09	
-640	O1	SLES	1	-5.96728	-19.5361	62.7122	OC30A	637	641	0	0	-0.34	
-641	C2	SLES	1	-6.61524	-20.2185	61.6542	CC32A	640	642	643	644	-0.01	
-642	H2A	SLES	1	-7.73139	-20.2235	61.8144	HCA2	641	0	0	0	0.09	
-643	H2B	SLES	1	-6.26532	-21.2747	61.5795	HCA2	641	0	0	0	0.09	
-644	C1	SLES	1	-6.11177	-19.064	60.7137	CC32A	641	645	646	647	-0.01	
-645	H1B	SLES	1	-7.14962	-18.8023	60.4687	HCA2	644	0	0	0	0.09	
-646	H1A	SLES	1	-5.51991	-19.943	60.2672	HCA2	644	0	0	0	0.09	
-647	O1	SLES	1	-5.54317	-18.4197	59.6031	OC30A	644	648	0	0	-0.34	
-648	C1	SLES	1	-6.07928	-18.7007	58.318	CTL2	647	649	650	651	-0.18	
-649	H11	SLES	1	-7.20126	-18.6675	58.2324	HAL2	648	0	0	0	0.09	
-650	H12	SLES	1	-5.75423	-19.7146	57.9731	HAL2	648	0	0	0	0.09	
-651	C2	SLES	1	-5.41592	-17.5754	57.5252	CTL2	648	652	653	654	-0.18	
-652	H21	SLES	1	-5.77178	-16.5574	57.8145	HAL2	651	0	0	0	0.09	
-653	H22	SLES	1	-4.30025	-17.599	57.5804	HAL2	651	0	0	0	0.09	
-654	C3	SLES	1	-5.83194	-17.859	56.1386	CTL2	651	655	656	657	-0.18	
-655	H31	SLES	1	-6.95508	-17.8212	56.1613	HAL2	654	0	0	0	0.09	
-656	H32	SLES	1	-5.44508	-18.8939	55.9261	HAL2	654	0	0	0	0.09	
-657	C4	SLES	1	-5.38984	-16.9934	55.0036	CTL2	654	658	659	660	-0.18	
-658	H41	SLES	1	-5.7387	-15.9396	55.1354	HAL2	657	0	0	0	0.09	
-659	H42	SLES	1	-4.27847	-16.9797	54.9112	HAL2	657	0	0	0	0.09	
-660	C5	SLES	1	-6.10012	-17.7462	53.8705	CTL2	657	661	662	663	-0.18	
-661	H51	SLES	1	-7.20586	-17.7889	54.059	HAL2	660	0	0	0	0.09	
-662	H52	SLES	1	-5.76242	-18.8154	53.8369	HAL2	660	0	0	0	0.09	
-663	C6	SLES	1	-5.93405	-17.2188	52.5112	CTL2	660	664	665	666	-0.18	
-664	H61	SLES	1	-6.97017	-17.0334	52.1176	HAL2	663	0	0	0	0.09	
-665	H62	SLES	1	-5.52259	-18.0626	51.8948	HAL2	663	0	0	0	0.09	
-666	C7	SLES	1	-5.06541	-15.9647	52.3554	CTL2	663	667	668	669	-0.18	
-667	H71	SLES	1	-5.46702	-15.0667	52.8817	HAL2	666	0	0	0	0.09	
-668	H72	SLES	1	-4.00164	-16.109	52.656	HAL2	666	0	0	0	0.09	
-669	C8	SLES	1	-5.16906	-15.7898	50.8836	CTL2	666	670	671	672	-0.18	
-670	H81	SLES	1	-6.26546	-15.6731	50.6547	HAL2	669	0	0	0	0.09	
-671	H82	SLES	1	-4.76906	-16.7384	50.4247	HAL2	669	0	0	0	0.09	
-672	C9	SLES	1	-4.47084	-14.6624	50.2067	CTL2	669	673	674	675	-0.18	
-673	H91	SLES	1	-4.84048	-13.6893	50.6004	HAL2	672	0	0	0	0.09	
-674	H92	SLES	1	-3.37268	-14.7343	50.3742	HAL2	672	0	0	0	0.09	
-675	C10	SLES	1	-4.87779	-14.9207	48.7575	CTL2	672	676	677	678	-0.18	
-676	H10	SLES	1	-5.99761	-14.909	48.6673	HAL2	675	0	0	0	0.09	
-677	H10	SLES	1	-4.54049	-15.9458	48.443	HAL2	675	0	0	0	0.09	
-678	C11	SLES	1	-4.33604	-13.9449	47.7641	CTL2	675	679	680	681	-0.18	
-679	H11	SLES	1	-4.69054	-12.932	48.0667	HAL2	678	0	0	0	0.09	
-680	H11	SLES	1	-3.22446	-13.9748	47.8414	HAL2	678	0	0	0	0.09	
-681	C12	SLES	1	-4.82312	-14.3255	46.3631	CTL3	678	682	683	684	-0.27	
-682	H12	SLES	1	-5.43465	-13.5059	45.9383	HAL3	681	0	0	0	0.09	
-683	H12	SLES	1	-3.95859	-14.5564	45.7107	HAL3	681	0	0	0	0.09	
-684	H12	SLES	1	-5.47017	-15.2369	46.3699	HAL3	681	0	0	0	0.09	
-685	NA	SLES	1	8.52756	-20.748	68.0756	NA	0	0	0	0	1	
-686	S	SLES	1	6.62565	-22.5072	66.5065	SL	687	688	689	690	1.33	
-687	OS1	SLES	1	7.01922	-21.4437	65.5667	OSL	686	691	0	0	-0.28	
-688	OS2	SLES	1	6.14225	-21.5291	67.4553	O2L	686	0	0	0	-0.65	
-689	OS3	SLES	1	8.00405	-22.9025	66.6828	O2L	686	0	0	0	-0.65	
-690	OS4	SLES	1	5.7054	-23.3598	65.8079	O2L	686	0	0	0	-0.65	
-691	C2	SLES	1	6.63879	-21.2913	64.2578	CC32A	687	692	693	694	-0.11	
-692	H2A	SLES	1	5.52556	-21.1759	64.1782	HCA2	691	0	0	0	0.09	
-693	H2B	SLES	1	6.9745	-22.1649	63.6384	HCA2	691	0	0	0	0.09	
-694	C1	SLES	1	7.37262	-19.9933	63.8573	CC32A	691	695	696	697	-0.01	
-695	H1B	SLES	1	7.05248	-19.136	64.5045	HCA2	694	0	0	0	0.09	
-696	H1A	SLES	1	8.47956	-20.1174	63.9494	HCA2	694	0	0	0	0.09	
-697	O1	SLES	1	7.21495	-19.508	62.5636	OC30A	694	698	0	0	-0.34	
-698	C2	SLES	1	6.36767	-20.2241	61.6837	CC32A	697	699	700	701	-0.01	
-699	H2A	SLES	1	5.32168	-20.2778	62.1014	HCA2	698	0	0	0	0.09	
-700	H2B	SLES	1	6.73683	-21.2641	61.5233	HCA2	698	0	0	0	0.09	
-701	C1	SLES	1	6.58445	-19.0533	60.6574	CC32A	698	702	703	704	-0.01	
-702	H1B	SLES	1	5.50751	-18.8393	60.6643	HCA2	701	0	0	0	0.09	
-703	H1A	SLES	1	7.09336	-19.9075	60.0797	HCA2	701	0	0	0	0.09	
-704	O1	SLES	1	6.8472	-18.3903	59.4478	OC30A	701	705	0	0	-0.34	
-705	C1	SLES	1	6.03737	-18.7017	58.323	CTL2	704	706	707	708	-0.18	
-706	H11	SLES	1	4.92631	-18.7187	58.5034	HAL2	705	0	0	0	0.09	
-707	H12	SLES	1	6.31707	-19.7019	57.9061	HAL2	705	0	0	0	0.09	
-708	C2	SLES	1	6.44539	-17.5522	57.4026	CTL2	705	709	710	711	-0.18	
-709	H21	SLES	1	6.12254	-16.5495	57.7727	HAL2	708	0	0	0	0.09	
-710	H22	SLES	1	7.54275	-17.526	57.1941	HAL2	708	0	0	0	0.09	
-711	C3	SLES	1	5.72845	-17.8614	56.151	CTL2	708	712	713	714	-0.18	
-712	H31	SLES	1	4.64149	-17.8734	56.4369	HAL2	711	0	0	0	0.09	
-713	H32	SLES	1	6.10017	-18.8791	55.848	HAL2	711	0	0	0	0.09	
-714	C4	SLES	1	5.8528	-16.983	54.9484	CTL2	711	715	716	717	-0.18	
-715	H41	SLES	1	5.49818	-15.945	55.164	HAL2	714	0	0	0	0.09	
-716	H42	SLES	1	6.90967	-16.9204	54.5977	HAL2	714	0	0	0	0.09	
-717	C5	SLES	1	4.93049	-17.7726	54.0098	CTL2	714	718	719	720	-0.18	
-718	H51	SLES	1	3.90294	-17.8633	54.4524	HAL2	717	0	0	0	0.09	
-719	H52	SLES	1	5.29803	-18.8259	53.8923	HAL2	717	0	0	0	0.09	
-720	C6	SLES	1	4.74919	-17.2455	52.6524	CTL2	717	721	722	723	-0.18	
-721	H61	SLES	1	3.64242	-17.1084	52.514	HAL2	720	0	0	0	0.09	
-722	H62	SLES	1	5.04148	-18.0735	51.9521	HAL2	720	0	0	0	0.09	
-723	C7	SLES	1	5.50038	-15.9549	52.3036	CTL2	720	724	725	726	-0.18	
-724	H71	SLES	1	5.19408	-15.0729	52.9142	HAL2	723	0	0	0	0.09	
-725	H72	SLES	1	6.6103	-16.0502	52.3452	HAL2	723	0	0	0	0.09	
-726	C8	SLES	1	5.04639	-15.7926	50.8982	CTL2	723	727	728	729	-0.18	
-727	H81	SLES	1	3.92282	-15.7259	50.9337	HAL2	726	0	0	0	0.09	
-728	H82	SLES	1	5.36918	-16.7249	50.3532	HAL2	726	0	0	0	0.09	
-729	C9	SLES	1	5.51538	-14.6389	50.0823	CTL2	726	730	731	732	-0.18	
-730	H91	SLES	1	5.20566	-13.6811	50.5569	HAL2	729	0	0	0	0.09	
-731	H92	SLES	1	6.62425	-14.6611	49.9869	HAL2	729	0	0	0	0.09	
-732	C10	SLES	1	4.79141	-14.9227	48.7678	CTL2	729	733	734	735	-0.18	
-733	H10	SLES	1	3.68235	-14.9612	48.9431	HAL2	732	0	0	0	0.09	
-734	H10	SLES	1	5.09065	-15.9334	48.3775	HAL2	732	0	0	0	0.09	
-735	C11	SLES	1	5.0409	-13.929	47.6802	CTL2	732	736	737	738	-0.18	
-736	H11	SLES	1	4.72271	-12.9313	48.0628	HAL2	735	0	0	0	0.09	
-737	H11	SLES	1	6.13975	-13.9091	47.4941	HAL2	735	0	0	0	0.09	
-738	C12	SLES	1	4.25589	-14.3383	46.4307	CTL3	735	739	740	741	-0.27	
-739	H12	SLES	1	3.52592	-13.549	46.1657	HAL3	738	0	0	0	0.09	
-740	H12	SLES	1	4.95244	-14.5341	45.5923	HAL3	738	0	0	0	0.09	
-741	H12	SLES	1	3.66965	-15.2775	46.5843	HAL3	738	0	0	0	0.09	
-742	NA	SLES	1	20.2245	-12.1402	67.6075	NA	0	0	0	0	1	
-743	S	SLES	1	18.1677	-14.1631	66.6847	SL	744	745	746	747	1.33	
-744	OS1	SLES	1	18.3167	-13.2324	65.553	OSL	743	748	0	0	-0.28	
-745	OS2	SLES	1	17.8144	-13.0754	67.5694	O2L	743	0	0	0	-0.65	
-746	OS3	SLES	1	19.5752	-14.4862	66.6429	O2L	743	0	0	0	-0.65	
-747	OS4	SLES	1	17.1839	-15.1347	66.2973	O2L	743	0	0	0	-0.65	
-748	C2	SLES	1	17.6902	-13.2797	64.3337	CC32A	744	749	750	751	-0.11	
-749	H2A	SLES	1	16.577	-13.2115	64.4559	HCA2	748	0	0	0	0.09	
-750	H2B	SLES	1	17.9541	-14.2217	63.7837	HCA2	748	0	0	0	0.09	
-751	C1	SLES	1	18.2601	-12.0297	63.6292	CC32A	748	752	753	754	-0.01	
-752	H1B	SLES	1	18.0176	-11.0994	64.2055	HCA2	751	0	0	0	0.09	
-753	H1A	SLES	1	19.3701	-12.105	63.5217	HCA2	751	0	0	0	0.09	
-754	O1	SLES	1	17.8358	-11.7386	62.3372	OC30A	751	755	0	0	-0.34	
-755	C2	SLES	1	16.8818	-12.5986	61.7413	CC32A	754	756	757	758	-0.01	
-756	H2A	SLES	1	15.9371	-12.6248	62.3565	HCA2	755	0	0	0	0.09	
-757	H2B	SLES	1	17.2739	-13.6388	61.6532	HCA2	755	0	0	0	0.09	
-758	C1	SLES	1	16.8351	-11.5796	60.5453	CC32A	755	759	760	761	-0.01	
-759	H1B	SLES	1	15.7679	-11.4004	60.7313	HCA2	758	0	0	0	0.09	
-760	H1A	SLES	1	17.2755	-12.4911	59.9998	HCA2	758	0	0	0	0.09	
-761	O1	SLES	1	16.8285	-11.0876	59.2301	OC30A	758	762	0	0	-0.34	
-762	C1	SLES	1	15.8421	-11.5809	58.3348	CTL2	761	763	764	765	-0.18	
-763	H11	SLES	1	14.7872	-11.6067	58.7269	HAL2	762	0	0	0	0.09	
-764	H12	SLES	1	16.0962	-12.6211	58.0093	HAL2	762	0	0	0	0.09	
-765	C2	SLES	1	16.0039	-10.5619	57.2076	CTL2	762	766	767	768	-0.18	
-766	H21	SLES	1	15.6986	-9.52728	57.4956	HAL2	765	0	0	0	0.09	
-767	H22	SLES	1	17.0396	-10.5315	56.7896	HAL2	765	0	0	0	0.09	
-768	C3	SLES	1	15.0848	-11.0682	56.1707	CTL2	765	769	770	771	-0.18	
-769	H31	SLES	1	14.0729	-11.0732	56.6601	HAL2	768	0	0	0	0.09	
-770	H32	SLES	1	15.4515	-12.1066	55.9406	HAL2	768	0	0	0	0.09	
-771	C4	SLES	1	14.9314	-10.3664	54.8604	CTL2	768	772	773	774	-0.18	
-772	H41	SLES	1	14.564	-9.31984	54.9996	HAL2	771	0	0	0	0.09	
-773	H42	SLES	1	15.8987	-10.3215	54.3071	HAL2	771	0	0	0	0.09	
-774	C5	SLES	1	13.8971	-11.3098	54.2316	CTL2	771	775	776	777	-0.18	
-775	H51	SLES	1	12.9773	-11.3686	54.8724	HAL2	774	0	0	0	0.09	
-776	H52	SLES	1	14.2963	-12.3572	54.1873	HAL2	774	0	0	0	0.09	
-777	C6	SLES	1	13.4352	-10.9872	52.8767	CTL2	774	778	779	780	-0.18	
-778	H61	SLES	1	12.3161	-10.9056	52.9376	HAL2	777	0	0	0	0.09	
-779	H62	SLES	1	13.6388	-11.8969	52.2504	HAL2	777	0	0	0	0.09	
-780	C7	SLES	1	14.0323	-9.73658	52.2201	CTL2	777	781	782	783	-0.18	
-781	H71	SLES	1	13.795	-8.78661	52.7548	HAL2	780	0	0	0	0.09	
-782	H72	SLES	1	15.134	-9.79039	52.059	HAL2	780	0	0	0	0.09	
-783	C8	SLES	1	13.3151	-9.79013	50.92	CTL2	780	784	785	786	-0.18	
-784	H81	SLES	1	12.216	-9.75406	51.1625	HAL2	783	0	0	0	0.09	
-785	H82	SLES	1	13.5836	-10.78	50.4525	HAL2	783	0	0	0	0.09	
-786	C9	SLES	1	13.556	-8.75024	49.882	CTL2	783	787	788	789	-0.18	
-787	H91	SLES	1	13.2856	-7.7447	50.2751	HAL2	786	0	0	0	0.09	
-788	H92	SLES	1	14.6269	-8.75123	49.5782	HAL2	786	0	0	0	0.09	
-789	C10	SLES	1	12.6168	-9.24054	48.782	CTL2	786	790	791	792	-0.18	
-790	H10	SLES	1	11.5641	-9.28821	49.1717	HAL2	789	0	0	0	0.09	
-791	H10	SLES	1	12.8956	-10.2867	48.48	HAL2	789	0	0	0	0.09	
-792	C11	SLES	1	12.6009	-8.40443	47.5437	CTL2	789	793	794	795	-0.18	
-793	H11	SLES	1	12.3027	-7.37283	47.8437	HAL2	792	0	0	0	0.09	
-794	H11	SLES	1	13.6426	-8.37704	47.1481	HAL2	792	0	0	0	0.09	
-795	C12	SLES	1	11.6212	-9.01156	46.5355	CTL3	792	796	797	798	-0.27	
-796	H12	SLES	1	10.8102	-8.2911	46.3133	HAL3	795	0	0	0	0.09	
-797	H12	SLES	1	12.1589	-9.30289	45.6123	HAL3	795	0	0	0	0.09	
-798	H12	SLES	1	11.1292	-9.93714	46.9236	HAL3	795	0	0	0	0.09	
-799	NA	SLES	1	38.3046	1.64418	58.8631	NA	0	0	0	0	1	
-800	S	SLES	1	36.2931	-0.607557	59.1029	SL	801	802	803	804	1.33	
-801	OS1	SLES	1	35.9742	0.0495181	57.8239	OSL	800	805	0	0	-0.28	
-802	OS2	SLES	1	36.1228	0.637759	59.8176	O2L	800	0	0	0	-0.65	
-803	OS3	SLES	1	37.6411	-0.880562	58.6607	O2L	800	0	0	0	-0.65	
-804	OS4	SLES	1	35.3484	-1.67631	59.2682	O2L	800	0	0	0	-0.65	
-805	C2	SLES	1	35.0028	-0.293442	56.9184	CC32A	801	806	807	808	-0.11	
-806	H2A	SLES	1	33.9851	-0.239842	57.3878	HCA2	805	0	0	0	0.09	
-807	H2B	SLES	1	35.1791	-1.32482	56.5126	HCA2	805	0	0	0	0.09	
-808	C1	SLES	1	35.1813	0.785828	55.829	CC32A	805	809	810	811	-0.01	
-809	H1B	SLES	1	35.0347	1.81251	56.2542	HCA2	808	0	0	0	0.09	
-810	H1A	SLES	1	36.2013	0.728524	55.3756	HCA2	808	0	0	0	0.09	
-811	O1	SLES	1	34.3407	0.763312	54.7214	OC30A	808	812	0	0	-0.34	
-812	C2	SLES	1	33.346	-0.242648	54.6622	CC32A	811	813	814	815	-0.01	
-813	H2A	SLES	1	32.6536	-0.164001	55.5486	HCA2	812	0	0	0	0.09	
-814	H2B	SLES	1	33.8001	-1.26114	54.6591	HCA2	812	0	0	0	0.09	
-815	C1	SLES	1	32.8128	0.478817	53.3714	CC32A	812	816	817	818	-0.01	
-816	H1B	SLES	1	31.8467	0.65649	53.862	HCA2	815	0	0	0	0.09	
-817	H1A	SLES	1	33.1536	-0.515444	52.9049	HCA2	815	0	0	0	0.09	
-818	O1	SLES	1	32.3367	0.661847	52.0631	OC30A	815	819	0	0	-0.34	
-819	C1	SLES	1	31.1769	-0.0556061	51.6653	CTL2	818	820	821	822	-0.18	
-820	H11	SLES	1	30.3099	-0.0306716	52.3828	HAL2	819	0	0	0	0.09	
-821	H12	SLES	1	31.4259	-1.13244	51.4893	HAL2	819	0	0	0	0.09	
-822	C2	SLES	1	30.8621	0.688909	50.3685	CTL2	819	823	824	825	-0.18	
-823	H21	SLES	1	30.5537	1.75006	50.5281	HAL2	822	0	0	0	0.09	
-824	H22	SLES	1	31.7023	0.661981	49.6326	HAL2	822	0	0	0	0.09	
-825	C3	SLES	1	29.7223	-0.0705721	49.8205	CTL2	822	826	827	828	-0.18	
-826	H31	SLES	1	28.9244	-0.00200562	50.6092	HAL2	825	0	0	0	0.09	
-827	H32	SLES	1	30.1073	-1.1202	49.6946	HAL2	825	0	0	0	0.09	
-828	C4	SLES	1	29.0867	0.312422	48.5235	CTL2	825	829	830	831	-0.18	
-829	H41	SLES	1	28.6713	1.34952	48.5642	HAL2	828	0	0	0	0.09	
-830	H42	SLES	1	29.818	0.266707	47.6827	HAL2	828	0	0	0	0.09	
-831	C5	SLES	1	28.015	-0.785032	48.4775	CTL2	828	832	833	834	-0.18	
-832	H51	SLES	1	27.3576	-0.731426	49.3858	HAL2	831	0	0	0	0.09	
-833	H52	SLES	1	28.4905	-1.8004	48.5137	HAL2	831	0	0	0	0.09	
-834	C6	SLES	1	27.1156	-0.792326	47.318	CTL2	831	835	836	837	-0.18	
-835	H61	SLES	1	26.0715	-0.739757	47.7302	HAL2	834	0	0	0	0.09	
-836	H62	SLES	1	27.2075	-1.81162	46.8555	HAL2	834	0	0	0	0.09	
-837	C7	SLES	1	27.3348	0.29928	46.2636	CTL2	834	838	839	840	-0.18	
-838	H71	SLES	1	27.1779	1.33595	46.6447	HAL2	837	0	0	0	0.09	
-839	H72	SLES	1	28.3278	0.250531	45.7592	HAL2	837	0	0	0	0.09	
-840	C8	SLES	1	26.253	-0.0712677	45.315	CTL2	837	841	842	843	-0.18	
-841	H81	SLES	1	25.2902	-0.0213796	45.897	HAL2	840	0	0	0	0.09	
-842	H82	SLES	1	26.465	-1.13052	44.9934	HAL2	840	0	0	0	0.09	
-843	C9	SLES	1	26.0386	0.716524	44.0699	CTL2	840	844	845	846	-0.18	
-844	H91	SLES	1	25.7995	1.77424	44.3205	HAL2	843	0	0	0	0.09	
-845	H92	SLES	1	26.9516	0.685989	43.4338	HAL2	843	0	0	0	0.09	
-846	C10	SLES	1	24.8581	-0.0423176	43.4672	CTL2	843	847	848	849	-0.18	
-847	H10	SLES	1	23.9948	-0.0391775	44.1862	HAL2	846	0	0	0	0.09	
-848	H10	SLES	1	25.1385	-1.11881	43.3059	HAL2	846	0	0	0	0.09	
-849	C11	SLES	1	24.3604	0.492708	42.1639	CTL2	846	850	851	852	-0.18	
-850	H11	SLES	1	24.0629	1.55386	42.3327	HAL2	849	0	0	0	0.09	
-851	H11	SLES	1	25.2137	0.468091	41.4472	HAL2	849	0	0	0	0.09	
-852	C12	SLES	1	23.1835	-0.360704	41.6827	CTL3	849	853	854	855	-0.27	
-853	H12	SLES	1	22.271	0.261463	41.6033	HAL3	852	0	0	0	0.09	
-854	H12	SLES	1	23.4293	-0.832578	40.7114	HAL3	852	0	0	0	0.09	
-855	H12	SLES	1	22.943	-1.19245	42.3896	HAL3	852	0	0	0	0.09	
-856	NA	SLES	1	34.9954	16.6678	58.5219	NA	0	0	0	0	1	
-857	S	SLES	1	33.1516	14.3707	59.2276	SL	858	859	860	861	1.33	
-858	OS1	SLES	1	32.8639	14.6656	57.8135	OSL	857	862	0	0	-0.28	
-859	OS2	SLES	1	32.8419	15.7319	59.6039	O2L	857	0	0	0	-0.65	
-860	OS3	SLES	1	34.5417	14.1205	58.9234	O2L	857	0	0	0	-0.65	
-861	OS4	SLES	1	32.2834	13.2938	59.6127	O2L	857	0	0	0	-0.65	
-862	C2	SLES	1	31.9803	14.0269	56.9814	CC32A	858	863	864	865	-0.11	
-863	H2A	SLES	1	30.9341	14.1014	57.38	HCA2	862	0	0	0	0.09	
-864	H2B	SLES	1	32.2603	12.9479	56.8513	HCA2	862	0	0	0	0.09	
-865	C1	SLES	1	32.1433	14.8204	55.6671	CC32A	862	866	867	868	-0.01	
-866	H1B	SLES	1	31.8919	15.9022	55.8183	HCA2	865	0	0	0	0.09	
-867	H1A	SLES	1	33.191	14.7464	55.285	HCA2	865	0	0	0	0.09	
-868	O1	SLES	1	31.3777	14.4538	54.5654	OC30A	865	869	0	0	-0.34	
-869	C2	SLES	1	30.4689	13.3785	54.7157	CC32A	868	870	871	872	-0.01	
-870	H2A	SLES	1	29.7184	13.6078	55.5254	HCA2	869	0	0	0	0.09	
-871	H2B	SLES	1	30.9992	12.4349	54.9838	HCA2	869	0	0	0	0.09	
-872	C1	SLES	1	29.9637	13.7135	53.2654	CC32A	869	873	874	875	-0.01	
-873	H1B	SLES	1	28.958	13.9177	53.656	HCA2	872	0	0	0	0.09	
-874	H1A	SLES	1	30.4084	12.6704	53.0742	HCA2	872	0	0	0	0.09	
-875	O1	SLES	1	29.5577	13.5294	51.9338	OC30A	872	876	0	0	-0.34	
-876	C1	SLES	1	28.4837	12.6355	51.6779	CTL2	875	877	878	879	-0.18	
-877	H11	SLES	1	27.5741	12.7562	52.3301	HAL2	876	0	0	0	0.09	
-878	H12	SLES	1	28.825	11.5751	51.7846	HAL2	876	0	0	0	0.09	
-879	C2	SLES	1	28.1943	13.011	50.2252	CTL2	876	880	881	882	-0.18	
-880	H21	SLES	1	27.7959	14.047	50.1041	HAL2	879	0	0	0	0.09	
-881	H22	SLES	1	29.0785	12.8815	49.5546	HAL2	879	0	0	0	0.09	
-882	C3	SLES	1	27.1527	12.0418	49.8352	CTL2	879	883	884	885	-0.18	
-883	H31	SLES	1	26.3042	12.2282	50.5484	HAL2	882	0	0	0	0.09	
-884	H32	SLES	1	27.6243	11.032	49.9894	HAL2	882	0	0	0	0.09	
-885	C4	SLES	1	26.572	12.0392	48.4584	CTL2	882	886	887	888	-0.18	
-886	H41	SLES	1	26.0765	13.0135	48.2237	HAL2	885	0	0	0	0.09	
-887	H42	SLES	1	27.3559	11.8563	47.6864	HAL2	885	0	0	0	0.09	
-888	C5	SLES	1	25.5927	10.8718	48.6409	CTL2	885	889	890	891	-0.18	
-889	H51	SLES	1	24.8776	11.0855	49.4794	HAL2	888	0	0	0	0.09	
-890	H52	SLES	1	26.1416	9.94271	48.9472	HAL2	888	0	0	0	0.09	
-891	C6	SLES	1	24.7708	10.5021	47.4828	CTL2	888	892	893	894	-0.18	
-892	H61	SLES	1	23.702	10.5593	47.8252	HAL2	891	0	0	0	0.09	
-893	H62	SLES	1	24.9694	9.41338	47.2913	HAL2	891	0	0	0	0.09	
-894	C7	SLES	1	24.9711	11.3196	46.201	CTL2	891	895	896	897	-0.18	
-895	H71	SLES	1	24.7115	12.3994	46.3067	HAL2	894	0	0	0	0.09	
-896	H72	SLES	1	25.9945	11.2391	45.7663	HAL2	894	0	0	0	0.09	
-897	C8	SLES	1	23.9824	10.6339	45.3294	CTL2	894	898	899	900	-0.18	
-898	H81	SLES	1	22.9841	10.7371	45.8402	HAL2	897	0	0	0	0.09	
-899	H82	SLES	1	24.2949	9.55167	45.2892	HAL2	897	0	0	0	0.09	
-900	C9	SLES	1	23.7865	11.0727	43.9202	CTL2	897	901	902	903	-0.18	
-901	H91	SLES	1	23.4517	12.1337	43.8908	HAL2	900	0	0	0	0.09	
-902	H92	SLES	1	24.7371	10.9705	43.3501	HAL2	900	0	0	0	0.09	
-903	C10	SLES	1	22.7078	10.0872	43.4754	CTL2	900	904	905	906	-0.18	
-904	H10	SLES	1	21.8035	10.1876	44.1345	HAL2	903	0	0	0	0.09	
-905	H10	SLES	1	23.0795	9.03348	43.5975	HAL2	903	0	0	0	0.09	
-906	C11	SLES	1	22.253	10.2423	42.0606	CTL2	903	907	908	909	-0.18	
-907	H11	SLES	1	21.8649	11.2815	41.9488	HAL2	906	0	0	0	0.09	
-908	H11	SLES	1	23.1488	10.1209	41.4086	HAL2	906	0	0	0	0.09	
-909	C12	SLES	1	21.1776	9.19535	41.757	CTL3	906	910	911	912	-0.27	
-910	H12	SLES	1	20.2267	9.69499	41.488	HAL3	909	0	0	0	0.09	
-911	H12	SLES	1	21.5191	8.52548	40.9439	HAL3	909	0	0	0	0.09	
-912	H12	SLES	1	20.9579	8.54234	42.6371	HAL3	909	0	0	0	0.09	
-913	NA	SLES	1	25.9333	29.0557	58.3714	NA	0	0	0	0	1	
-914	S	SLES	1	24.1627	26.772	59.2791	SL	915	916	917	918	1.33	
-915	OS1	SLES	1	24.0798	26.7532	57.8087	OSL	914	919	0	0	-0.28	
-916	OS2	SLES	1	23.706	28.1434	59.3156	O2L	914	0	0	0	-0.65	
-917	OS3	SLES	1	25.5969	26.6051	59.23	O2L	914	0	0	0	-0.65	
-918	OS4	SLES	1	23.3203	25.7117	59.7566	O2L	914	0	0	0	-0.65	
-919	C2	SLES	1	23.3823	25.8794	57.0142	CC32A	915	920	921	922	-0.11	
-920	H2A	SLES	1	22.2842	25.9274	57.2391	HCA2	919	0	0	0	0.09	
-921	H2B	SLES	1	23.7521	24.8289	57.1529	HCA2	919	0	0	0	0.09	
-922	C1	SLES	1	23.6941	26.411	55.5986	CC32A	919	923	924	925	-0.01	
-923	H1B	SLES	1	23.3492	27.4713	55.4837	HCA2	922	0	0	0	0.09	
-924	H1A	SLES	1	24.7912	26.3669	55.3897	HCA2	922	0	0	0	0.09	
-925	O1	SLES	1	23.1366	25.7612	54.5026	OC30A	922	926	0	0	-0.34	
-926	C2	SLES	1	22.2908	24.6523	54.7468	CC32A	925	927	928	929	-0.01	
-927	H2A	SLES	1	21.4093	24.9613	55.3784	HCA2	926	0	0	0	0.09	
-928	H2B	SLES	1	22.8357	23.8368	55.2774	HCA2	926	0	0	0	0.09	
-929	C1	SLES	1	21.9965	24.644	53.2027	CC32A	926	930	931	932	-0.01	
-930	H1B	SLES	1	20.9307	24.8209	53.3985	HCA2	929	0	0	0	0.09	
-931	H1A	SLES	1	22.5355	23.6327	53.2977	HCA2	929	0	0	0	0.09	
-932	O1	SLES	1	21.8168	24.1624	51.8959	OC30A	929	933	0	0	-0.34	
-933	C1	SLES	1	20.8592	23.1343	51.6862	CTL2	932	934	935	936	-0.18	
-934	H11	SLES	1	19.8529	23.2908	52.1659	HAL2	933	0	0	0	0.09	
-935	H12	SLES	1	21.2511	22.1545	52.0587	HAL2	933	0	0	0	0.09	
-936	C2	SLES	1	20.7753	23.1863	50.1613	CTL2	933	937	938	939	-0.18	
-937	H21	SLES	1	20.3311	24.1338	49.772	HAL2	936	0	0	0	0.09	
-938	H22	SLES	1	21.76	23.0152	49.662	HAL2	936	0	0	0	0.09	
-939	C3	SLES	1	19.8757	22.0616	49.8419	CTL2	936	940	941	942	-0.18	
-940	H31	SLES	1	18.9156	22.3	50.3754	HAL2	939	0	0	0	0.09	
-941	H32	SLES	1	20.3851	21.1533	50.2679	HAL2	939	0	0	0	0.09	
-942	C4	SLES	1	19.5185	21.7309	48.4291	CTL2	939	943	944	945	-0.18	
-943	H41	SLES	1	19.0006	22.5863	47.9293	HAL2	942	0	0	0	0.09	
-944	H42	SLES	1	20.4239	21.4779	47.829	HAL2	942	0	0	0	0.09	
-945	C5	SLES	1	18.6045	20.5316	48.714	CTL2	942	946	947	948	-0.18	
-946	H51	SLES	1	17.7544	20.8344	49.3816	HAL2	945	0	0	0	0.09	
-947	H52	SLES	1	19.1608	19.7396	49.2811	HAL2	945	0	0	0	0.09	
-948	C6	SLES	1	18.0005	19.8621	47.5563	CTL2	945	949	950	951	-0.18	
-949	H61	SLES	1	16.89	19.8799	47.7273	HAL2	948	0	0	0	0.09	
-950	H62	SLES	1	18.3002	18.782	47.6263	HAL2	948	0	0	0	0.09	
-951	C7	SLES	1	18.3423	20.4272	46.1723	CTL2	948	952	953	954	-0.18	
-952	H71	SLES	1	17.9965	21.4758	46.0127	HAL2	951	0	0	0	0.09	
-953	H72	SLES	1	19.4241	20.364	45.9105	HAL2	951	0	0	0	0.09	
-954	C8	SLES	1	17.5507	19.4894	45.3348	CTL2	951	955	956	957	-0.18	
-955	H81	SLES	1	16.4803	19.5922	45.669	HAL2	954	0	0	0	0.09	
-956	H82	SLES	1	17.9385	18.4566	45.5657	HAL2	954	0	0	0	0.09	
-957	C9	SLES	1	17.5477	19.6209	43.8517	CTL2	954	958	959	960	-0.18	
-958	H91	SLES	1	17.1502	20.6172	43.5549	HAL2	957	0	0	0	0.09	
-959	H92	SLES	1	18.5804	19.5028	43.4533	HAL2	957	0	0	0	0.09	
-960	C10	SLES	1	16.6213	18.4658	43.4776	CTL2	957	961	962	963	-0.18	
-961	H10	SLES	1	15.6205	18.6043	43.969	HAL2	960	0	0	0	0.09	
-962	H10	SLES	1	17.0402	17.4986	43.8679	HAL2	960	0	0	0	0.09	
-963	C11	SLES	1	16.3834	18.294	42.0125	CTL2	960	964	965	966	-0.18	
-964	H11	SLES	1	15.9476	19.2475	41.633	HAL2	963	0	0	0	0.09	
-965	H11	SLES	1	17.3762	18.1355	41.5312	HAL2	963	0	0	0	0.09	
-966	C12	SLES	1	15.4423	17.107	41.7883	CTL3	963	967	968	969	-0.27	
-967	H12	SLES	1	14.5133	17.4478	41.2914	HAL3	966	0	0	0	0.09	
-968	H12	SLES	1	15.9513	16.3272	41.1889	HAL3	966	0	0	0	0.09	
-969	H12	SLES	1	15.1329	16.6215	42.7464	HAL3	966	0	0	0	0.09	
-970	NA	SLES	1	12.6572	36.7461	58.4378	NA	0	0	0	0	1	
-971	S	SLES	1	10.8919	34.4222	59.2486	SL	972	973	974	975	1.33	
-972	OS1	SLES	1	11.1398	34.2247	57.8102	OSL	971	976	0	0	-0.28	
-973	OS2	SLES	1	10.3445	35.7377	59.0024	O2L	971	0	0	0	-0.65	
-974	OS3	SLES	1	12.3091	34.3909	59.5275	O2L	971	0	0	0	-0.65	
-975	OS4	SLES	1	10.04	33.3478	59.675	O2L	971	0	0	0	-0.65	
-976	C2	SLES	1	10.6991	33.2009	57.011	CC32A	972	977	978	979	-0.11	
-977	H2A	SLES	1	9.57782	33.1678	56.9896	HCA2	976	0	0	0	0.09	
-978	H2B	SLES	1	11.1008	32.2145	57.3651	HCA2	976	0	0	0	0.09	
-979	C1	SLES	1	11.2805	33.5921	55.6353	CC32A	976	980	981	982	-0.01	
-980	H1B	SLES	1	10.897	34.5932	55.3082	HCA2	979	0	0	0	0.09	
-981	H1A	SLES	1	12.3969	33.6308	55.6715	HCA2	979	0	0	0	0.09	
-982	O1	SLES	1	11.0274	32.7682	54.5438	OC30A	979	983	0	0	-0.34	
-983	C2	SLES	1	10.2276	31.6183	54.7502	CC32A	982	984	985	986	-0.01	
-984	H2A	SLES	1	9.20829	31.9115	55.1331	HCA2	983	0	0	0	0.09	
-985	H2B	SLES	1	10.696	30.9268	55.4891	HCA2	983	0	0	0	0.09	
-986	C1	SLES	1	10.2856	31.4021	53.1943	CC32A	983	987	988	989	-0.01	
-987	H1B	SLES	1	9.19332	31.4961	53.134	HCA2	986	0	0	0	0.09	
-988	H1A	SLES	1	10.8589	30.4658	53.5366	HCA2	986	0	0	0	0.09	
-989	O1	SLES	1	10.4352	30.7567	51.9562	OC30A	986	990	0	0	-0.34	
-990	C1	SLES	1	9.62207	29.623	51.6886	CTL2	989	991	992	993	-0.18	
-991	H11	SLES	1	8.52585	29.7356	51.9186	HAL2	990	0	0	0	0.09	
-992	H12	SLES	1	9.98829	28.7359	52.2642	HAL2	990	0	0	0	0.09	
-993	C2	SLES	1	9.87623	29.489	50.1878	CTL2	990	994	995	996	-0.18	
-994	H21	SLES	1	9.46518	30.3372	49.5892	HAL2	993	0	0	0	0.09	
-995	H22	SLES	1	10.9569	29.3575	49.9363	HAL2	993	0	0	0	0.09	
-996	C3	SLES	1	9.15067	28.2527	49.8394	CTL2	993	997	998	999	-0.18	
-997	H31	SLES	1	8.08167	28.4571	50.1202	HAL2	996	0	0	0	0.09	
-998	H32	SLES	1	9.61425	27.454	50.482	HAL2	996	0	0	0	0.09	
-999	C4	SLES	1	9.14071	27.727	48.4407	CTL2	996	1000	1001	1002	-0.18	
-1000	H41	SLES	1	8.68891	28.4641	47.7319	HAL2	999	0	0	0	0.09	
-1001	H42	SLES	1	10.1723	27.4951	48.0857	HAL2	999	0	0	0	0.09	
-1002	C5	SLES	1	8.27173	26.4858	48.6842	CTL2	999	1003	1004	1005	-0.18	
-1003	H51	SLES	1	7.27549	26.7801	49.1095	HAL2	1002	0	0	0	0.09	
-1004	H52	SLES	1	8.74145	25.8229	49.4577	HAL2	1002	0	0	0	0.09	
-1005	C6	SLES	1	7.98861	25.6307	47.5257	CTL2	1002	1006	1007	1008	-0.18	
-1006	H61	SLES	1	6.86937	25.5604	47.4535	HAL2	1005	0	0	0	0.09	
-1007	H62	SLES	1	8.33946	24.6004	47.8024	HAL2	1005	0	0	0	0.09	
-1008	C7	SLES	1	8.5898	26.0617	46.1824	CTL2	1005	1009	1010	1011	-0.18	
-1009	H71	SLES	1	8.21624	27.046	45.8134	HAL2	1008	0	0	0	0.09	
-1010	H72	SLES	1	9.7044	26.0739	46.1669	HAL2	1008	0	0	0	0.09	
-1011	C8	SLES	1	8.07152	24.9605	45.3303	CTL2	1008	1012	1013	1014	-0.18	
-1012	H81	SLES	1	6.94905	24.9969	45.4131	HAL2	1011	0	0	0	0.09	
-1013	H82	SLES	1	8.46898	24.0041	45.775	HAL2	1011	0	0	0	0.09	
-1014	C9	SLES	1	8.38958	24.9178	43.8764	CTL2	1011	1015	1016	1017	-0.18	
-1015	H91	SLES	1	7.99995	25.8295	43.3706	HAL2	1014	0	0	0	0.09	
-1016	H92	SLES	1	9.49071	24.8551	43.7255	HAL2	1014	0	0	0	0.09	
-1017	C10	SLES	1	7.65217	23.6425	43.4734	CTL2	1014	1018	1019	1020	-0.18	
-1018	H10	SLES	1	6.55998	23.7392	43.7184	HAL2	1017	0	0	0	0.09	
-1019	H10	SLES	1	8.03986	22.7725	44.0702	HAL2	1017	0	0	0	0.09	
-1020	C11	SLES	1	7.75882	23.2793	42.028	CTL2	1017	1021	1022	1023	-0.18	
-1021	H11	SLES	1	7.35338	24.1354	41.4399	HAL2	1020	0	0	0	0.09	
-1022	H11	SLES	1	8.84241	23.1632	41.7938	HAL2	1020	0	0	0	0.09	
-1023	C12	SLES	1	6.976	21.9885	41.7713	CTL3	1020	1024	1025	1026	-0.27	
-1024	H12	SLES	1	6.15954	22.1773	41.0476	HAL3	1023	0	0	0	0.09	
-1025	H12	SLES	1	7.65858	21.1975	41.404	HAL3	1023	0	0	0	0.09	
-1026	H12	SLES	1	6.49557	21.5899	42.6985	HAL3	1023	0	0	0	0.09	
-1027	NA	SLES	1	-2.61571	38.4421	58.7094	NA	0	0	0	0	1	
-1028	S	SLES	1	-4.33622	35.9869	59.1413	SL	1029	1030	1031	1032	1.33	
-1029	OS1	SLES	1	-3.72073	35.7891	57.8179	OSL	1028	1033	0	0	-0.28	
-1030	OS2	SLES	1	-4.90786	37.246	58.7187	O2L	1028	0	0	0	-0.65	
-1031	OS3	SLES	1	-3.03632	36.0829	59.7645	O2L	1028	0	0	0	-0.65	
-1032	OS4	SLES	1	-5.17903	34.8496	59.382	O2L	1028	0	0	0	-0.65	
-1033	C2	SLES	1	-3.86373	34.7186	56.9725	CC32A	1029	1034	1035	1036	-0.11	
-1034	H2A	SLES	1	-4.93754	34.5882	56.6744	HCA2	1033	0	0	0	0.09	
-1035	H2B	SLES	1	-3.48613	33.7764	57.4513	HCA2	1033	0	0	0	0.09	
-1036	C1	SLES	1	-2.9894	35.1371	55.7708	CC32A	1033	1037	1038	1039	-0.01	
-1037	H1B	SLES	1	-3.35744	36.0961	55.3222	HCA2	1036	0	0	0	0.09	
-1038	H1A	SLES	1	-1.92447	35.273	56.0818	HCA2	1036	0	0	0	0.09	
-1039	O1	SLES	1	-2.89409	34.2775	54.6818	OC30A	1036	1040	0	0	-0.34	
-1040	C2	SLES	1	-3.62557	33.066	54.7252	CC32A	1039	1041	1042	1043	-0.01	
-1041	H2A	SLES	1	-4.72833	33.2757	54.8319	HCA2	1040	0	0	0	0.09	
-1042	H2B	SLES	1	-3.30353	32.4293	55.5823	HCA2	1040	0	0	0	0.09	
-1043	C1	SLES	1	-3.16231	32.8313	53.2416	CC32A	1040	1044	1045	1046	-0.01	
-1044	H1B	SLES	1	-4.20857	32.8293	52.9085	HCA2	1043	0	0	0	0.09	
-1045	H1A	SLES	1	-2.62016	31.9537	53.7498	HCA2	1043	0	0	0	0.09	
-1046	O1	SLES	1	-2.65611	32.182	52.104	OC30A	1043	1047	0	0	-0.34	
-1047	C1	SLES	1	-3.28288	30.9781	51.6847	CTL2	1046	1048	1049	1050	-0.18	
-1048	H11	SLES	1	-4.40714	30.9989	51.631	HAL2	1047	0	0	0	0.09	
-1049	H12	SLES	1	-3.00288	30.1352	52.3655	HAL2	1047	0	0	0	0.09	
-1050	C2	SLES	1	-2.65084	30.8432	50.3001	CTL2	1047	1051	1052	1053	-0.18	
-1051	H21	SLES	1	-2.96522	31.6431	49.5874	HAL2	1050	0	0	0	0.09	
-1052	H22	SLES	1	-1.53471	30.8019	50.3299	HAL2	1050	0	0	0	0.09	
-1053	C3	SLES	1	-3.16467	29.5434	49.8282	CTL2	1050	1054	1055	1056	-0.18	
-1054	H31	SLES	1	-4.28273	29.6587	49.8269	HAL2	1053	0	0	0	0.09	
-1055	H32	SLES	1	-2.81458	28.7979	50.5947	HAL2	1053	0	0	0	0.09	
-1056	C4	SLES	1	-2.78169	28.9969	48.4911	CTL2	1053	1057	1058	1059	-0.18	
-1057	H41	SLES	1	-3.09889	29.6809	47.6657	HAL2	1056	0	0	0	0.09	
-1058	H42	SLES	1	-1.67896	28.8497	48.4123	HAL2	1056	0	0	0	0.09	
-1059	C5	SLES	1	-3.58184	27.6891	48.5567	CTL2	1056	1060	1061	1062	-0.18	
-1060	H51	SLES	1	-4.67312	27.9026	48.7101	HAL2	1059	0	0	0	0.09	
-1061	H52	SLES	1	-3.2695	27.0815	49.4465	HAL2	1059	0	0	0	0.09	
-1062	C6	SLES	1	-3.49628	26.7947	47.3965	CTL2	1059	1063	1064	1065	-0.18	
-1063	H61	SLES	1	-4.55237	26.6265	47.0511	HAL2	1062	0	0	0	0.09	
-1064	H62	SLES	1	-3.14474	25.8031	47.7894	HAL2	1062	0	0	0	0.09	
-1065	C7	SLES	1	-2.61409	27.2551	46.2297	CTL2	1062	1066	1067	1068	-0.18	
-1066	H71	SLES	1	-2.96072	28.1974	45.7435	HAL2	1065	0	0	0	0.09	
-1067	H72	SLES	1	-1.53581	27.3635	46.491	HAL2	1065	0	0	0	0.09	
-1068	C8	SLES	1	-2.81248	26.0999	45.3166	CTL2	1065	1069	1070	1071	-0.18	
-1069	H81	SLES	1	-3.91909	26.0403	45.1166	HAL2	1068	0	0	0	0.09	
-1070	H82	SLES	1	-2.46399	25.1886	45.881	HAL2	1068	0	0	0	0.09	
-1071	C9	SLES	1	-2.13784	26.0622	43.9899	CTL2	1068	1072	1073	1074	-0.18	
-1072	H91	SLES	1	-2.45991	26.9286	43.37	HAL2	1071	0	0	0	0.09	
-1073	H92	SLES	1	-1.03266	26.0927	44.1196	HAL2	1071	0	0	0	0.09	
-1074	C10	SLES	1	-2.64631	24.7217	43.4636	CTL2	1071	1075	1076	1077	-0.18	
-1075	H10	SLES	1	-3.76916	24.7272	43.4258	HAL2	1074	0	0	0	0.09	
-1076	H10	SLES	1	-2.35227	23.8979	44.1696	HAL2	1074	0	0	0	0.09	
-1077	C11	SLES	1	-2.15212	24.3465	42.1043	CTL2	1074	1078	1079	1080	-0.18	
-1078	H11	SLES	1	-2.46436	25.1549	41.4029	HAL2	1077	0	0	0	0.09	
-1079	H11	SLES	1	-1.03873	24.321	42.1511	HAL2	1077	0	0	0	0.09	
-1080	C12	SLES	1	-2.73982	22.9888	41.709	CTL3	1077	1081	1082	1083	-0.27	
-1081	H12	SLES	1	-3.36124	23.0949	40.7986	HAL3	1080	0	0	0	0.09	
-1082	H12	SLES	1	-1.92597	22.2543	41.552	HAL3	1080	0	0	0	0.09	
-1083	H12	SLES	1	-3.40383	22.5647	42.5018	HAL3	1080	0	0	0	0.09	
-1084	NA	SLES	1	-17.3214	33.814	59.1394	NA	0	0	0	0	1	
-1085	S	SLES	1	-18.8599	31.2101	58.9758	SL	1086	1087	1088	1089	1.33	
-1086	OS1	SLES	1	-17.9347	31.1751	57.8304	OSL	1085	1090	0	0	-0.28	
-1087	OS2	SLES	1	-19.4303	32.4557	58.5133	O2L	1085	0	0	0	-0.65	
-1088	OS3	SLES	1	-17.7578	31.3469	59.8999	O2L	1085	0	0	0	-0.65	
-1089	OS4	SLES	1	-19.6265	29.9969	58.9283	O2L	1085	0	0	0	-0.65	
-1090	C2	SLES	1	-17.7749	30.1752	56.9053	CC32A	1086	1091	1092	1093	-0.11	
-1091	H2A	SLES	1	-18.7315	29.9924	56.3482	HCA2	1090	0	0	0	0.09	
-1092	H2B	SLES	1	-17.4348	29.2251	57.3966	HCA2	1090	0	0	0	0.09	
-1093	C1	SLES	1	-16.685	30.7608	55.9818	CC32A	1090	1094	1095	1096	-0.01	
-1094	H1B	SLES	1	-17.0244	31.7256	55.5231	HCA2	1093	0	0	0	0.09	
-1095	H1A	SLES	1	-15.7405	30.9472	56.5496	HCA2	1093	0	0	0	0.09	
-1096	O1	SLES	1	-16.2568	30.0094	54.8928	OC30A	1093	1097	0	0	-0.34	
-1097	C2	SLES	1	-16.8624	28.7479	54.6762	CC32A	1096	1098	1099	1100	-0.01	
-1098	H2A	SLES	1	-17.9739	28.8655	54.5268	HCA2	1097	0	0	0	0.09	
-1099	H2B	SLES	1	-16.6935	28.0642	55.5408	HCA2	1097	0	0	0	0.09	
-1100	C1	SLES	1	-16.0434	28.6791	53.3364	CC32A	1097	1101	1102	1103	-0.01	
-1101	H1B	SLES	1	-16.977	28.629	52.7607	HCA2	1100	0	0	0	0.09	
-1102	H1A	SLES	1	-15.557	27.8028	53.9003	HCA2	1100	0	0	0	0.09	
-1103	O1	SLES	1	-15.2257	28.1712	52.3139	OC30A	1100	1104	0	0	-0.34	
-1104	C1	SLES	1	-15.6218	26.9657	51.6753	CTL2	1103	1105	1106	1107	-0.18	
-1105	H11	SLES	1	-16.6988	26.9079	51.3527	HAL2	1104	0	0	0	0.09	
-1106	H12	SLES	1	-15.433	26.0893	52.3452	HAL2	1104	0	0	0	0.09	
-1107	C2	SLES	1	-14.672	26.9996	50.4788	CTL2	1104	1108	1109	1110	-0.18	
-1108	H21	SLES	1	-14.8826	27.8335	49.7668	HAL2	1107	0	0	0	0.09	
-1109	H22	SLES	1	-13.5954	27.0385	50.7748	HAL2	1107	0	0	0	0.09	
-1110	C3	SLES	1	-14.9376	25.7118	49.8101	CTL2	1107	1111	1112	1113	-0.18	
-1111	H31	SLES	1	-16.0297	25.7439	49.5462	HAL2	1110	0	0	0	0.09	
-1112	H32	SLES	1	-14.7101	24.93	50.5865	HAL2	1110	0	0	0	0.09	
-1113	C4	SLES	1	-14.2018	25.3145	48.5717	CTL2	1110	1114	1115	1116	-0.18	
-1114	H41	SLES	1	-14.3778	26.0429	47.7421	HAL2	1113	0	0	0	0.09	
-1115	H42	SLES	1	-13.1027	25.2566	48.7522	HAL2	1113	0	0	0	0.09	
-1116	C5	SLES	1	-14.8701	23.9503	48.3534	CTL2	1113	1117	1118	1119	-0.18	
-1117	H51	SLES	1	-15.9818	24.0684	48.2524	HAL2	1116	0	0	0	0.09	
-1118	H52	SLES	1	-14.7209	23.2919	49.2493	HAL2	1116	0	0	0	0.09	
-1119	C6	SLES	1	-14.4314	23.1699	47.1908	CTL2	1116	1120	1121	1122	-0.18	
-1120	H61	SLES	1	-15.3562	22.955	46.5897	HAL2	1119	0	0	0	0.09	
-1121	H62	SLES	1	-14.0918	22.1763	47.5893	HAL2	1119	0	0	0	0.09	
-1122	C7	SLES	1	-13.346	23.7946	46.3058	CTL2	1119	1123	1124	1125	-0.18	
-1123	H71	SLES	1	-13.6543	24.7478	45.8149	HAL2	1122	0	0	0	0.09	
-1124	H72	SLES	1	-12.3743	23.9591	46.8269	HAL2	1122	0	0	0	0.09	
-1125	C8	SLES	1	-13.216	22.7124	45.2962	CTL2	1122	1126	1127	1128	-0.18	
-1126	H81	SLES	1	-14.234	22.589	44.8309	HAL2	1125	0	0	0	0.09	
-1127	H82	SLES	1	-12.9271	21.7834	45.8654	HAL2	1125	0	0	0	0.09	
-1128	C9	SLES	1	-12.2476	22.8412	44.1726	CTL2	1125	1129	1130	1131	-0.18	
-1129	H91	SLES	1	-12.4936	23.7324	43.553	HAL2	1128	0	0	0	0.09	
-1130	H92	SLES	1	-11.2117	22.9418	44.5676	HAL2	1128	0	0	0	0.09	
-1131	C10	SLES	1	-12.4914	21.518	43.4498	CTL2	1128	1132	1133	1134	-0.18	
-1132	H10	SLES	1	-13.5693	21.4439	43.142	HAL2	1131	0	0	0	0.09	
-1133	H10	SLES	1	-12.2966	20.6596	44.1488	HAL2	1131	0	0	0	0.09	
-1134	C11	SLES	1	-11.6586	21.3009	42.2283	CTL2	1131	1135	1136	1137	-0.18	
-1135	H11	SLES	1	-11.8706	22.1424	41.5283	HAL2	1134	0	0	0	0.09	
-1136	H11	SLES	1	-10.5901	21.3538	42.5412	HAL2	1134	0	0	0	0.09	
-1137	C12	SLES	1	-12.0083	19.9435	41.612	CTL3	1134	1138	1139	1140	-0.27	
-1138	H12	SLES	1	-12.4051	20.0827	40.5876	HAL3	1137	0	0	0	0.09	
-1139	H12	SLES	1	-11.1159	19.2877	41.6074	HAL3	1137	0	0	0	0.09	
-1140	H12	SLES	1	-12.7979	19.4035	42.1902	HAL3	1137	0	0	0	0.09	
-1141	NA	SLES	1	-28.9414	23.5809	59.6534	NA	0	0	0	0	1	
-1142	S	SLES	1	-30.1596	20.9487	58.7807	SL	1143	1144	1145	1146	1.33	
-1143	OS1	SLES	1	-29.0451	21.178	57.8455	OSL	1142	1147	0	0	-0.28	
-1144	OS2	SLES	1	-30.7585	22.2149	58.4219	O2L	1142	0	0	0	-0.65	
-1145	OS3	SLES	1	-29.2602	20.9948	59.9104	O2L	1142	0	0	0	-0.65	
-1146	OS4	SLES	1	-30.781	19.7138	58.3923	O2L	1142	0	0	0	-0.65	
-1147	C2	SLES	1	-28.6236	20.3693	56.821	CC32A	1143	1148	1149	1150	-0.11	
-1148	H2A	SLES	1	-29.4419	20.2232	56.0674	HCA2	1147	0	0	0	0.09	
-1149	H2B	SLES	1	-28.2846	19.3728	57.2104	HCA2	1147	0	0	0	0.09	
-1150	C1	SLES	1	-27.4494	21.1802	56.2318	CC32A	1147	1151	1152	1153	-0.01	
-1151	H1B	SLES	1	-27.7951	22.1855	55.8764	HCA2	1150	0	0	0	0.09	
-1152	H1A	SLES	1	-26.6452	21.3271	56.994	HCA2	1150	0	0	0	0.09	
-1153	O1	SLES	1	-26.7604	20.6625	55.1403	OC30A	1150	1154	0	0	-0.34	
-1154	C2	SLES	1	-27.1892	19.4208	54.6117	CC32A	1153	1155	1156	1157	-0.01	
-1155	H2A	SLES	1	-28.2619	19.4877	54.2708	HCA2	1154	0	0	0	0.09	
-1156	H2B	SLES	1	-27.111	18.6087	55.3719	HCA2	1154	0	0	0	0.09	
-1157	C1	SLES	1	-26.1404	19.6439	53.4623	CC32A	1154	1158	1159	1160	-0.01	
-1158	H1B	SLES	1	-26.9461	19.633	52.7163	HCA2	1157	0	0	0	0.09	
-1159	H1A	SLES	1	-25.6786	18.7169	53.962	HCA2	1157	0	0	0	0.09	
-1160	O1	SLES	1	-25.1064	19.3799	52.5495	OC30A	1157	1161	0	0	-0.34	
-1161	C1	SLES	1	-25.2599	18.2815	51.6619	CTL2	1160	1162	1163	1164	-0.18	
-1162	H11	SLES	1	-26.2505	18.209	51.132	HAL2	1161	0	0	0	0.09	
-1163	H12	SLES	1	-25.1083	17.3157	52.2067	HAL2	1161	0	0	0	0.09	
-1164	C2	SLES	1	-24.1191	18.5892	50.693	CTL2	1161	1165	1166	1167	-0.18	
-1165	H21	SLES	1	-24.2803	19.5191	50.0964	HAL2	1164	0	0	0	0.09	
-1166	H22	SLES	1	-23.1222	18.6478	51.1942	HAL2	1164	0	0	0	0.09	
-1167	C3	SLES	1	-24.1313	17.424	49.7883	CTL2	1164	1168	1169	1170	-0.18	
-1168	H31	SLES	1	-25.1561	17.4284	49.3267	HAL2	1167	0	0	0	0.09	
-1169	H32	SLES	1	-23.9703	16.535	50.4588	HAL2	1167	0	0	0	0.09	
-1170	C4	SLES	1	-23.1496	17.301	48.6685	CTL2	1167	1171	1172	1173	-0.18	
-1171	H41	SLES	1	-23.2455	18.1503	47.9479	HAL2	1170	0	0	0	0.09	
-1172	H42	SLES	1	-22.1005	17.2865	49.0467	HAL2	1170	0	0	0	0.09	
-1173	C5	SLES	1	-23.6292	15.9546	48.1096	CTL2	1170	1174	1175	1176	-0.18	
-1174	H51	SLES	1	-24.7109	16.0135	47.8155	HAL2	1173	0	0	0	0.09	
-1175	H52	SLES	1	-23.5786	15.1605	48.9004	HAL2	1173	0	0	0	0.09	
-1176	C6	SLES	1	-22.9139	15.422	46.9443	CTL2	1173	1177	1178	1179	-0.18	
-1177	H61	SLES	1	-23.6901	15.2544	46.1491	HAL2	1176	0	0	0	0.09	
-1178	H62	SLES	1	-22.5544	14.3991	47.2369	HAL2	1176	0	0	0	0.09	
-1179	C7	SLES	1	-21.7549	16.2643	46.3977	CTL2	1176	1180	1181	1182	-0.18	
-1180	H71	SLES	1	-22.0632	17.2659	46.0153	HAL2	1179	0	0	0	0.09	
-1181	H72	SLES	1	-20.9136	16.3997	47.1165	HAL2	1179	0	0	0	0.09	
-1182	C8	SLES	1	-21.3392	15.3877	45.2725	CTL2	1179	1183	1184	1185	-0.18	
-1183	H81	SLES	1	-22.2399	15.2796	44.6053	HAL2	1182	0	0	0	0.09	
-1184	H82	SLES	1	-21.0664	14.3947	45.7307	HAL2	1182	0	0	0	0.09	
-1185	C9	SLES	1	-20.2026	15.7768	44.3929	CTL2	1182	1186	1187	1188	-0.18	
-1186	H91	SLES	1	-20.4208	16.7445	43.8882	HAL2	1185	0	0	0	0.09	
-1187	H92	SLES	1	-19.2695	15.876	44.9918	HAL2	1185	0	0	0	0.09	
-1188	C10	SLES	1	-20.1803	14.588	43.4344	CTL2	1185	1189	1190	1191	-0.18	
-1189	H10	SLES	1	-21.1729	14.4966	42.916	HAL2	1188	0	0	0	0.09	
-1190	H10	SLES	1	-20.0299	13.6351	44.0114	HAL2	1188	0	0	0	0.09	
-1191	C11	SLES	1	-19.1247	14.6455	42.3786	CTL2	1188	1192	1193	1194	-0.18	
-1192	H11	SLES	1	-19.2902	15.5808	41.7946	HAL2	1191	0	0	0	0.09	
-1193	H11	SLES	1	-18.1402	14.7145	42.8967	HAL2	1191	0	0	0	0.09	
-1194	C12	SLES	1	-19.2217	13.3971	41.4971	CTL3	1191	1195	1196	1197	-0.27	
-1195	H12	SLES	1	-19.4403	13.6872	40.4511	HAL3	1194	0	0	0	0.09	
-1196	H12	SLES	1	-18.2824	12.814	41.5606	HAL3	1194	0	0	0	0.09	
-1197	H12	SLES	1	-20.0447	12.712	41.8176	HAL3	1194	0	0	0	0.09	
-1198	NA	SLES	1	-35.4226	9.43959	60.1626	NA	0	0	0	0	1	
-1199	S	SLES	1	-36.2988	7.00385	58.5898	SL	1200	1201	1202	1203	1.33	
-1200	OS1	SLES	1	-35.1297	7.52415	57.8606	OSL	1199	1204	0	0	-0.28	
-1201	OS2	SLES	1	-36.9799	8.27273	58.4602	O2L	1199	0	0	0	-0.65	
-1202	OS3	SLES	1	-35.516	6.849	59.7942	O2L	1199	0	0	0	-0.65	
-1203	OS4	SLES	1	-36.7614	5.85273	57.8667	O2L	1199	0	0	0	-0.65	
-1204	C2	SLES	1	-34.5403	7.00926	56.7342	CC32A	1200	1205	1206	1207	-0.11	
-1205	H2A	SLES	1	-35.2679	6.98516	55.8805	HCA2	1204	0	0	0	0.09	
-1206	H2B	SLES	1	-34.1454	5.97619	56.9249	HCA2	1204	0	0	0	0.09	
-1207	C1	SLES	1	-33.3993	8.01708	56.4774	CC32A	1204	1208	1209	1210	-0.01	
-1208	H1B	SLES	1	-33.8048	9.05021	56.3209	HCA2	1207	0	0	0	0.09	
-1209	H1A	SLES	1	-32.6866	8.03895	57.3381	HCA2	1207	0	0	0	0.09	
-1210	O1	SLES	1	-32.5663	7.81907	55.3815	OC30A	1207	1211	0	0	-0.34	
-1211	C2	SLES	1	-32.8243	6.70787	54.5427	CC32A	1210	1212	1213	1214	-0.01	
-1212	H2A	SLES	1	-33.8625	6.77571	54.1079	HCA2	1211	0	0	0	0.09	
-1213	H2B	SLES	1	-32.7397	5.74838	55.1047	HCA2	1211	0	0	0	0.09	
-1214	C1	SLES	1	-31.6999	7.26744	53.5975	CC32A	1211	1215	1216	1217	-0.01	
-1215	H1B	SLES	1	-32.4285	7.37359	52.783	HCA2	1214	0	0	0	0.09	
-1216	H1A	SLES	1	-31.2	6.28478	53.9244	HCA2	1214	0	0	0	0.09	
-1217	O1	SLES	1	-30.5656	7.29837	52.7702	OC30A	1214	1218	0	0	-0.34	
-1218	C1	SLES	1	-30.5313	6.42954	51.6469	CTL2	1217	1219	1220	1221	-0.18	
-1219	H11	SLES	1	-31.4573	6.41223	51.0069	HAL2	1218	0	0	0	0.09	
-1220	H12	SLES	1	-30.3393	5.37664	51.974	HAL2	1218	0	0	0	0.09	
-1221	C2	SLES	1	-29.3404	7.03561	50.9057	CTL2	1218	1222	1223	1224	-0.18	
-1222	H21	SLES	1	-29.5336	8.06518	50.5193	HAL2	1221	0	0	0	0.09	
-1223	H22	SLES	1	-28.4042	7.0466	51.5154	HAL2	1221	0	0	0	0.09	
-1224	C3	SLES	1	-29.158	6.11608	49.7667	CTL2	1221	1225	1226	1227	-0.18	
-1225	H31	SLES	1	-30.1316	6.15498	49.2062	HAL2	1224	0	0	0	0.09	
-1226	H32	SLES	1	-28.9757	5.10892	50.2337	HAL2	1224	0	0	0	0.09	
-1227	C4	SLES	1	-28.0699	6.32843	48.7647	CTL2	1224	1228	1229	1230	-0.18	
-1228	H41	SLES	1	-28.1793	7.31346	48.2475	HAL2	1227	0	0	0	0.09	
-1229	H42	SLES	1	-27.0636	6.30094	49.2448	HAL2	1227	0	0	0	0.09	
-1230	C5	SLES	1	-28.3655	5.11903	47.8675	CTL2	1227	1231	1232	1233	-0.18	
-1231	H51	SLES	1	-29.4161	5.16756	47.4751	HAL2	1230	0	0	0	0.09	
-1232	H52	SLES	1	-28.3127	4.16794	48.4599	HAL2	1230	0	0	0	0.09	
-1233	C6	SLES	1	-27.4982	4.92576	46.6997	CTL2	1230	1234	1235	1236	-0.18	
-1234	H61	SLES	1	-28.1781	4.89344	45.8055	HAL2	1233	0	0	0	0.09	
-1235	H62	SLES	1	-27.0715	3.8911	46.793	HAL2	1233	0	0	0	0.09	
-1236	C7	SLES	1	-26.3791	5.95291	46.4895	CTL2	1233	1237	1238	1239	-0.18	
-1237	H71	SLES	1	-26.7448	6.99152	46.3101	HAL2	1236	0	0	0	0.09	
-1238	H72	SLES	1	-25.6245	5.97647	47.3097	HAL2	1236	0	0	0	0.09	
-1239	C8	SLES	1	-25.7798	5.39526	45.2496	CTL2	1236	1240	1241	1242	-0.18	
-1240	H81	SLES	1	-26.6007	5.38198	44.4789	HAL2	1239	0	0	0	0.09	
-1241	H82	SLES	1	-25.4571	4.34481	45.5004	HAL2	1239	0	0	0	0.09	
-1242	C9	SLES	1	-24.6091	6.05918	44.6128	CTL2	1239	1243	1244	1245	-0.18	
-1243	H91	SLES	1	-24.8709	7.09981	44.3174	HAL2	1242	0	0	0	0.09	
-1244	H92	SLES	1	-23.749	6.0821	45.3191	HAL2	1242	0	0	0	0.09	
-1245	C10	SLES	1	-24.3854	5.1317	43.4202	CTL2	1242	1246	1247	1248	-0.18	
-1246	H10	SLES	1	-25.3126	5.09332	42.7869	HAL2	1245	0	0	0	0.09	
-1247	H10	SLES	1	-24.1988	4.0837	43.7812	HAL2	1245	0	0	0	0.09	
-1248	C11	SLES	1	-23.247	5.50948	42.5291	CTL2	1245	1249	1250	1251	-0.18	
-1249	H11	SLES	1	-23.4462	6.54094	42.1556	HAL2	1248	0	0	0	0.09	
-1250	H11	SLES	1	-22.3256	5.52565	43.1561	HAL2	1248	0	0	0	0.09	
-1251	C12	SLES	1	-23.143	4.49776	41.3843	CTL3	1248	1252	1253	1254	-0.27	
-1252	H12	SLES	1	-23.2907	5.0077	40.4126	HAL3	1251	0	0	0	0.09	
-1253	H12	SLES	1	-22.1623	3.98455	41.4196	HAL3	1251	0	0	0	0.09	
-1254	H12	SLES	1	-23.9231	3.69979	41.4485	HAL3	1251	0	0	0	0.09	
-1255	NA	SLES	1	-35.5608	-6.1806	60.5788	NA	0	0	0	0	1	
-1256	S	SLES	1	-36.2478	-8.20811	58.436	SL	1257	1258	1259	1260	1.33	
-1257	OS1	SLES	1	-35.1339	-7.426	57.8731	OSL	1256	1261	0	0	-0.28	
-1258	OS2	SLES	1	-37.0335	-7.0086	58.6217	O2L	1256	0	0	0	-0.65	
-1259	OS3	SLES	1	-35.442	-8.59439	59.5712	O2L	1256	0	0	0	-0.65	
-1260	OS4	SLES	1	-36.6205	-9.17541	57.4423	O2L	1256	0	0	0	-0.65	
-1261	C2	SLES	1	-34.5156	-7.5909	56.6599	CC32A	1257	1262	1263	1264	-0.11	
-1262	H2A	SLES	1	-35.2478	-7.46056	55.8197	HCA2	1261	0	0	0	0.09	
-1263	H2B	SLES	1	-34.034	-8.60216	56.5896	HCA2	1261	0	0	0	0.09	
-1264	C1	SLES	1	-33.4653	-6.45946	56.6764	CC32A	1261	1265	1266	1267	-0.01	
-1265	H1B	SLES	1	-33.9572	-5.45758	56.7797	HCA2	1264	0	0	0	0.09	
-1266	H1A	SLES	1	-32.7478	-6.59492	57.5225	HCA2	1264	0	0	0	0.09	
-1267	O1	SLES	1	-32.6305	-6.30609	55.5747	OC30A	1264	1268	0	0	-0.34	
-1268	C2	SLES	1	-32.8039	-7.18883	54.4813	CC32A	1267	1269	1270	1271	-0.01	
-1269	H2A	SLES	1	-33.8487	-7.10078	54.0664	HCA2	1268	0	0	0	0.09	
-1270	H2B	SLES	1	-32.6337	-8.24812	54.7854	HCA2	1268	0	0	0	0.09	
-1271	C1	SLES	1	-31.7401	-6.31836	53.7187	CC32A	1268	1272	1273	1274	-0.01	
-1272	H1B	SLES	1	-32.4837	-6.07234	52.9492	HCA2	1271	0	0	0	0.09	
-1273	H1A	SLES	1	-31.1567	-7.30645	53.794	HCA2	1271	0	0	0	0.09	
-1274	O1	SLES	1	-30.6212	-5.9865	52.9378	OC30A	1271	1275	0	0	-0.34	
-1275	C1	SLES	1	-30.5266	-6.53976	51.6328	CTL2	1274	1276	1277	1278	-0.18	
-1276	H11	SLES	1	-31.4547	-6.47303	50.9992	HAL2	1275	0	0	0	0.09	
-1277	H12	SLES	1	-30.2441	-7.62128	51.6874	HAL2	1275	0	0	0	0.09	
-1278	C2	SLES	1	-29.3983	-5.6701	51.0801	CTL2	1275	1279	1280	1281	-0.18	
-1279	H21	SLES	1	-29.6807	-4.59632	50.9623	HAL2	1278	0	0	0	0.09	
-1280	H22	SLES	1	-28.4598	-5.73447	51.683	HAL2	1278	0	0	0	0.09	
-1281	C3	SLES	1	-29.1521	-6.25597	49.7488	CTL2	1278	1282	1283	1284	-0.18	
-1282	H31	SLES	1	-30.1314	-6.15895	49.2057	HAL2	1281	0	0	0	0.09	
-1283	H32	SLES	1	-28.8816	-7.3293	49.9502	HAL2	1281	0	0	0	0.09	
-1284	C4	SLES	1	-28.0962	-5.70917	48.8438	CTL2	1281	1285	1286	1287	-0.18	
-1285	H41	SLES	1	-28.2927	-4.63853	48.5891	HAL2	1284	0	0	0	0.09	
-1286	H42	SLES	1	-27.086	-5.77229	49.3123	HAL2	1284	0	0	0	0.09	
-1287	C5	SLES	1	-28.2995	-6.67507	47.6687	CTL2	1284	1288	1289	1290	-0.18	
-1288	H51	SLES	1	-29.3546	-6.61735	47.29	HAL2	1287	0	0	0	0.09	
-1289	H52	SLES	1	-28.1614	-7.73657	48.0042	HAL2	1287	0	0	0	0.09	
-1290	C6	SLES	1	-27.4316	-6.49625	46.4991	CTL2	1287	1291	1292	1293	-0.18	
-1291	H61	SLES	1	-28.116	-6.35973	45.6182	HAL2	1290	0	0	0	0.09	
-1292	H62	SLES	1	-26.9192	-7.48197	46.3344	HAL2	1290	0	0	0	0.09	
-1293	C7	SLES	1	-26.4043	-5.35969	46.5653	CTL2	1290	1294	1295	1296	-0.18	
-1294	H71	SLES	1	-26.8571	-4.34348	46.6483	HAL2	1293	0	0	0	0.09	
-1295	H72	SLES	1	-25.6456	-5.47988	47.3731	HAL2	1293	0	0	0	0.09	
-1296	C8	SLES	1	-25.7738	-5.53652	45.2316	CTL2	1293	1297	1298	1299	-0.18	
-1297	H81	SLES	1	-26.5989	-5.42435	44.4735	HAL2	1296	0	0	0	0.09	
-1298	H82	SLES	1	-25.3621	-6.58565	45.2142	HAL2	1296	0	0	0	0.09	
-1299	C9	SLES	1	-24.6693	-4.63893	44.7941	CTL2	1296	1300	1301	1302	-0.18	
-1300	H91	SLES	1	-25.02	-3.58302	44.7665	HAL2	1299	0	0	0	0.09	
-1301	H92	SLES	1	-23.8067	-4.72238	45.4927	HAL2	1299	0	0	0	0.09	
-1302	C10	SLES	1	-24.3818	-5.21558	43.4095	CTL2	1299	1303	1304	1305	-0.18	
-1303	H10	SLES	1	-25.3093	-5.17097	42.777	HAL2	1302	0	0	0	0.09	
-1304	H10	SLES	1	-24.1048	-6.30134	43.498	HAL2	1302	0	0	0	0.09	
-1305	C11	SLES	1	-23.2885	-4.53287	42.6538	CTL2	1302	1306	1307	1308	-0.18	
-1306	H11	SLES	1	-23.5768	-3.46098	42.5489	HAL2	1305	0	0	0	0.09	
-1307	H11	SLES	1	-22.365	-4.59783	43.2746	HAL2	1305	0	0	0	0.09	
-1308	C12	SLES	1	-23.1127	-5.21273	41.293	CTL3	1305	1309	1310	1311	-0.27	
-1309	H12	SLES	1	-23.3126	-4.48945	40.4788	HAL3	1308	0	0	0	0.09	
-1310	H12	SLES	1	-22.0923	-5.63484	41.2088	HAL3	1308	0	0	0	0.09	
-1311	H12	SLES	1	-23.8228	-6.0634	41.1466	HAL3	1308	0	0	0	0.09	
-1312	NA	SLES	1	-29.2646	-20.5273	60.8301	NA	0	0	0	0	1	
-1313	S	SLES	1	-30.0402	-22.077	58.3459	SL	1314	1315	1316	1317	1.33	
-1314	OS1	SLES	1	-29.0549	-21.086	57.8809	OSL	1313	1318	0	0	-0.28	
-1315	OS2	SLES	1	-30.8839	-21.0304	58.8783	O2L	1313	0	0	0	-0.65	
-1316	OS3	SLES	1	-29.0871	-22.6302	59.2802	O2L	1313	0	0	0	-0.65	
-1317	OS4	SLES	1	-30.4516	-22.8271	57.1927	O2L	1313	0	0	0	-0.65	
-1318	C2	SLES	1	-28.5659	-20.9143	56.611	CC32A	1314	1319	1320	1321	-0.11	
-1319	H2A	SLES	1	-29.3948	-20.6686	55.8958	HCA2	1318	0	0	0	0.09	
-1320	H2B	SLES	1	-28.0242	-21.8332	56.2623	HCA2	1318	0	0	0	0.09	
-1321	C1	SLES	1	-27.6038	-19.7208	56.7941	CC32A	1318	1322	1323	1324	-0.01	
-1322	H1B	SLES	1	-28.1513	-18.8193	57.1735	HCA2	1321	0	0	0	0.09	
-1323	H1A	SLES	1	-26.7884	-19.9741	57.5153	HCA2	1321	0	0	0	0.09	
-1324	O1	SLES	1	-26.9104	-19.2448	55.6865	OC30A	1321	1325	0	0	-0.34	
-1325	C2	SLES	1	-27.1415	-19.8715	54.438	CC32A	1324	1326	1327	1328	-0.01	
-1326	H2A	SLES	1	-28.2297	-19.7923	54.1534	HCA2	1325	0	0	0	0.09	
-1327	H2B	SLES	1	-26.8632	-20.9509	54.4693	HCA2	1325	0	0	0	0.09	
-1328	C1	SLES	1	-26.2345	-18.7546	53.8049	CC32A	1325	1329	1330	1331	-0.01	
-1329	H1B	SLES	1	-27.0751	-18.4138	53.1861	HCA2	1328	0	0	0	0.09	
-1330	H1A	SLES	1	-25.5773	-19.6742	53.5932	HCA2	1328	0	0	0	0.09	
-1331	O1	SLES	1	-25.2364	-18.1507	53.0232	OC30A	1328	1332	0	0	-0.34	
-1332	C1	SLES	1	-25.249	-18.3848	51.6221	CTL2	1331	1333	1334	1335	-0.18	
-1333	H11	SLES	1	-26.2445	-18.2659	51.11	HAL2	1332	0	0	0	0.09	
-1334	H12	SLES	1	-24.8857	-19.4189	51.3963	HAL2	1332	0	0	0	0.09	
-1335	C2	SLES	1	-24.2545	-17.3097	51.186	CTL2	1332	1336	1337	1338	-0.18	
-1336	H21	SLES	1	-24.6242	-16.2689	51.3489	HAL2	1335	0	0	0	0.09	
-1337	H22	SLES	1	-23.2523	-17.4184	51.6679	HAL2	1335	0	0	0	0.09	
-1338	C3	SLES	1	-24.1175	-17.5551	49.7378	CTL2	1335	1339	1340	1341	-0.18	
-1339	H31	SLES	1	-25.1557	-17.4321	49.3252	HAL2	1338	0	0	0	0.09	
-1340	H32	SLES	1	-23.7502	-18.6154	49.6572	HAL2	1338	0	0	0	0.09	
-1341	C4	SLES	1	-23.211	-16.7208	48.892	CTL2	1338	1342	1343	1344	-0.18	
-1342	H41	SLES	1	-23.5107	-15.644	48.9137	HAL2	1341	0	0	0	0.09	
-1343	H42	SLES	1	-22.1529	-16.7912	49.2375	HAL2	1341	0	0	0	0.09	
-1344	C5	SLES	1	-23.475	-17.4126	47.5478	CTL2	1341	1345	1346	1347	-0.18	
-1345	H51	SLES	1	-24.5672	-17.3719	47.2921	HAL2	1344	0	0	0	0.09	
-1346	H52	SLES	1	-23.2247	-18.5042	47.6119	HAL2	1344	0	0	0	0.09	
-1347	C6	SLES	1	-22.7582	-16.8935	46.3773	CTL2	1344	1348	1349	1350	-0.18	
-1348	H61	SLES	1	-23.5447	-16.6282	45.6197	HAL2	1347	0	0	0	0.09	
-1349	H62	SLES	1	-22.1984	-17.7636	45.9404	HAL2	1347	0	0	0	0.09	
-1350	C7	SLES	1	-21.8137	-15.7085	46.6119	CTL2	1347	1351	1352	1353	-0.18	
-1351	H71	SLES	1	-22.3258	-14.7848	46.9714	HAL2	1350	0	0	0	0.09	
-1352	H72	SLES	1	-20.9628	-15.9344	47.2958	HAL2	1350	0	0	0	0.09	
-1353	C8	SLES	1	-21.3252	-15.52	45.2215	CTL2	1350	1354	1355	1356	-0.18	
-1354	H81	SLES	1	-22.2357	-15.3193	44.59	HAL2	1353	0	0	0	0.09	
-1355	H82	SLES	1	-20.8442	-16.4943	44.9217	HAL2	1353	0	0	0	0.09	
-1356	C9	SLES	1	-20.3435	-14.4461	44.9057	CTL2	1353	1357	1358	1359	-0.18	
-1357	H91	SLES	1	-20.7695	-13.4493	45.1579	HAL2	1356	0	0	0	0.09	
-1358	H92	SLES	1	-19.4044	-14.602	45.4827	HAL2	1356	0	0	0	0.09	
-1359	C10	SLES	1	-20.172	-14.6665	43.4041	CTL2	1356	1360	1361	1362	-0.18	
-1360	H10	SLES	1	-21.1652	-14.5694	42.888	HAL2	1359	0	0	0	0.09	
-1361	H10	SLES	1	-19.81	-15.713	43.2107	HAL2	1359	0	0	0	0.09	
-1362	C11	SLES	1	-19.2215	-13.7305	42.7312	CTL2	1359	1363	1364	1365	-0.18	
-1363	H11	SLES	1	-19.5955	-12.6949	42.9066	HAL2	1362	0	0	0	0.09	
-1364	H11	SLES	1	-18.2322	-13.8452	43.2317	HAL2	1362	0	0	0	0.09	
-1365	C12	SLES	1	-19.1508	-14.067	41.239	CTL3	1362	1366	1367	1368	-0.27	
-1366	H12	SLES	1	-19.4917	-13.2016	40.6382	HAL3	1365	0	0	0	0.09	
-1367	H12	SLES	1	-18.1187	-14.3603	40.9647	HAL3	1365	0	0	0	0.09	
-1368	H12	SLES	1	-19.8104	-14.9267	40.9642	HAL3	1365	0	0	0	0.09	
-1369	NA	SLES	1	-17.6156	-31.0353	60.8731	NA	0	0	0	0	1	
-1370	S	SLES	1	-18.7512	-32.2369	58.3352	SL	1371	1372	1373	1374	1.33	
-1371	OS1	SLES	1	-17.9436	-31.0914	57.8826	OSL	1370	1375	0	0	-0.28	
-1372	OS2	SLES	1	-19.5444	-31.3779	59.1858	O2L	1370	0	0	0	-0.65	
-1373	OS3	SLES	1	-17.6002	-32.8351	58.9714	O2L	1370	0	0	0	-0.65	
-1374	OS4	SLES	1	-19.3265	-32.8299	57.1608	O2L	1370	0	0	0	-0.65	
-1375	C2	SLES	1	-17.7224	-30.6711	56.5959	CC32A	1371	1376	1377	1378	-0.11	
-1376	H2A	SLES	1	-18.6886	-30.3977	56.0953	HCA2	1375	0	0	0	0.09	
-1377	H2B	SLES	1	-17.1978	-31.4641	55.9997	HCA2	1375	0	0	0	0.09	
-1378	C1	SLES	1	-16.8256	-29.4328	56.8104	CC32A	1375	1379	1380	1381	-0.01	
-1379	H1B	SLES	1	-17.3488	-28.6624	57.4343	HCA2	1378	0	0	0	0.09	
-1380	H1A	SLES	1	-15.8708	-29.716	57.3177	HCA2	1378	0	0	0	0.09	
-1381	O1	SLES	1	-16.3934	-28.7194	55.6976	OC30A	1378	1382	0	0	-0.34	
-1382	C2	SLES	1	-16.819	-29.158	54.4204	CC32A	1381	1383	1384	1385	-0.01	
-1383	H2A	SLES	1	-17.9445	-29.1427	54.3539	HCA2	1382	0	0	0	0.09	
-1384	H2B	SLES	1	-16.4678	-30.1955	54.2111	HCA2	1382	0	0	0	0.09	
-1385	C1	SLES	1	-16.129	-27.8698	53.8412	CC32A	1382	1386	1387	1388	-0.01	
-1386	H1B	SLES	1	-17.0945	-27.5195	53.4529	HCA2	1385	0	0	0	0.09	
-1387	H1A	SLES	1	-15.4648	-28.6739	53.3568	HCA2	1385	0	0	0	0.09	
-1388	O1	SLES	1	-15.3442	-27.0526	53.0117	OC30A	1385	1389	0	0	-0.34	
-1389	C1	SLES	1	-15.6119	-27.0596	51.6167	CTL2	1388	1390	1391	1392	-0.18	
-1390	H11	SLES	1	-16.6933	-26.9598	51.3204	HAL2	1389	0	0	0	0.09	
-1391	H12	SLES	1	-15.2303	-28.0031	51.1512	HAL2	1389	0	0	0	0.09	
-1392	C2	SLES	1	-14.7953	-25.8354	51.2052	CTL2	1389	1393	1394	1395	-0.18	
-1393	H21	SLES	1	-15.1958	-24.8758	51.6121	HAL2	1392	0	0	0	0.09	
-1394	H22	SLES	1	-13.7138	-25.9197	51.4728	HAL2	1392	0	0	0	0.09	
-1395	C3	SLES	1	-14.925	-25.8311	49.7357	CTL2	1392	1396	1397	1398	-0.18	
-1396	H31	SLES	1	-16.0293	-25.7473	49.5441	HAL2	1395	0	0	0	0.09	
-1397	H32	SLES	1	-14.5096	-26.8231	49.4054	HAL2	1395	0	0	0	0.09	
-1398	C4	SLES	1	-14.2577	-24.7865	48.9011	CTL2	1395	1399	1400	1401	-0.18	
-1399	H41	SLES	1	-14.6194	-23.7621	49.165	HAL2	1398	0	0	0	0.09	
-1400	H42	SLES	1	-13.1504	-24.8059	49.0334	HAL2	1398	0	0	0	0.09	
-1401	C5	SLES	1	-14.7296	-25.2771	47.5257	CTL2	1398	1402	1403	1404	-0.18	
-1402	H51	SLES	1	-15.8509	-25.3046	47.4811	HAL2	1401	0	0	0	0.09	
-1403	H52	SLES	1	-14.3987	-26.3346	47.351	HAL2	1401	0	0	0	0.09	
-1404	C6	SLES	1	-14.2896	-24.5089	46.3554	CTL2	1401	1405	1406	1407	-0.18	
-1405	H61	SLES	1	-15.2239	-24.2052	45.8097	HAL2	1404	0	0	0	0.09	
-1406	H62	SLES	1	-13.7675	-25.238	45.6791	HAL2	1404	0	0	0	0.09	
-1407	C7	SLES	1	-13.3995	-23.2888	46.6214	CTL2	1404	1408	1409	1410	-0.18	
-1408	H71	SLES	1	-13.8934	-22.49	47.2235	HAL2	1407	0	0	0	0.09	
-1409	H72	SLES	1	-12.4191	-23.5357	47.0911	HAL2	1407	0	0	0	0.09	
-1410	C8	SLES	1	-13.2032	-22.8329	45.221	CTL2	1407	1411	1412	1413	-0.18	
-1411	H81	SLES	1	-14.2302	-22.6251	44.8083	HAL2	1410	0	0	0	0.09	
-1412	H82	SLES	1	-12.7248	-23.694	44.6733	HAL2	1410	0	0	0	0.09	
-1413	C9	SLES	1	-12.3758	-21.6302	44.9281	CTL2	1410	1414	1415	1416	-0.18	
-1414	H91	SLES	1	-12.8111	-20.7339	45.4238	HAL2	1413	0	0	0	0.09	
-1415	H92	SLES	1	-11.3344	-21.7824	45.2909	HAL2	1413	0	0	0	0.09	
-1416	C10	SLES	1	-12.4838	-21.5895	43.4052	CTL2	1413	1417	1418	1419	-0.18	
-1417	H10	SLES	1	-13.5623	-21.5101	43.1007	HAL2	1416	0	0	0	0.09	
-1418	H10	SLES	1	-12.0964	-22.5504	42.9691	HAL2	1416	0	0	0	0.09	
-1419	C11	SLES	1	-11.7468	-20.4682	42.7479	CTL2	1416	1420	1421	1422	-0.18	
-1420	H11	SLES	1	-12.1487	-19.5163	43.1667	HAL2	1419	0	0	0	0.09	
-1421	H11	SLES	1	-10.6738	-20.5627	43.0347	HAL2	1419	0	0	0	0.09	
-1422	C12	SLES	1	-11.9437	-20.5531	41.2316	CTL3	1419	1423	1424	1425	-0.27	
-1423	H12	SLES	1	-12.4519	-19.6408	40.8633	HAL3	1422	0	0	0	0.09	
-1424	H12	SLES	1	-10.9669	-20.6948	40.7295	HAL3	1422	0	0	0	0.09	
-1425	H12	SLES	1	-12.5845	-21.4188	40.9329	HAL3	1422	0	0	0	0.09	
-1426	NA	SLES	1	-2.68635	-35.8258	60.7003	NA	0	0	0	0	1	
-1427	S	SLES	1	-4.31011	-36.9537	58.4056	SL	1428	1429	1430	1431	1.33	
-1428	OS1	SLES	1	-3.72286	-35.7104	57.8779	OSL	1427	1432	0	0	-0.28	
-1429	OS2	SLES	1	-4.93526	-36.2312	59.4909	O2L	1427	0	0	0	-0.65	
-1430	OS3	SLES	1	-2.99849	-37.4841	58.6982	O2L	1427	0	0	0	-0.65	
-1431	OS4	SLES	1	-5.107	-37.517	57.3523	O2L	1427	0	0	0	-0.65	
-1432	C2	SLES	1	-3.85112	-35.1856	56.6172	CC32A	1428	1433	1434	1435	-0.11	
-1433	H2A	SLES	1	-4.92723	-34.9698	56.384	HCA2	1432	0	0	0	0.09	
-1434	H2B	SLES	1	-3.42921	-35.8845	55.8471	HCA2	1432	0	0	0	0.09	
-1435	C1	SLES	1	-3.02316	-33.8867	56.7224	CC32A	1432	1436	1437	1438	-0.01	
-1436	H1B	SLES	1	-3.43531	-33.212	57.5168	HCA2	1435	0	0	0	0.09	
-1437	H1A	SLES	1	-1.95577	-34.1137	56.9639	HCA2	1435	0	0	0	0.09	
-1438	O1	SLES	1	-2.92688	-33.0629	55.606	OC30A	1435	1439	0	0	-0.34	
-1439	C2	SLES	1	-3.61514	-33.4521	54.4314	CC32A	1438	1440	1441	1442	-0.01	
-1440	H2A	SLES	1	-4.72129	-33.5367	54.6333	HCA2	1439	0	0	0	0.09	
-1441	H2B	SLES	1	-3.24935	-34.4361	54.0552	HCA2	1439	0	0	0	0.09	
-1442	C1	SLES	1	-3.18288	-32.0694	53.8214	CC32A	1439	1443	1444	1445	-0.01	
-1443	H1B	SLES	1	-4.23678	-31.7847	53.7034	HCA2	1442	0	0	0	0.09	
-1444	H1A	SLES	1	-2.59801	-32.7739	53.1257	HCA2	1442	0	0	0	0.09	
-1445	O1	SLES	1	-2.68454	-31.1288	52.9054	OC30A	1442	1446	0	0	-0.34	
-1446	C1	SLES	1	-3.28049	-31.0666	51.6174	CTL2	1445	1447	1448	1449	-0.18	
-1447	H11	SLES	1	-4.40582	-31.0477	51.5938	HAL2	1446	0	0	0	0.09	
-1448	H12	SLES	1	-2.95422	-31.9371	50.9943	HAL2	1446	0	0	0	0.09	
-1449	C2	SLES	1	-2.68044	-29.747	51.1343	CTL2	1446	1450	1451	1452	-0.18	
-1450	H21	SLES	1	-3.04041	-28.8583	51.7064	HAL2	1449	0	0	0	0.09	
-1451	H22	SLES	1	-1.56315	-29.7485	51.1315	HAL2	1449	0	0	0	0.09	
-1452	C3	SLES	1	-3.16164	-29.6556	49.7427	CTL2	1449	1453	1454	1455	-0.18	
-1453	H31	SLES	1	-4.28265	-29.6619	49.8245	HAL2	1452	0	0	0	0.09	
-1454	H32	SLES	1	-2.76645	-30.5804	49.2383	HAL2	1452	0	0	0	0.09	
-1455	C4	SLES	1	-2.79511	-28.4998	48.8694	CTL2	1452	1456	1457	1458	-0.18	
-1456	H41	SLES	1	-3.15688	-27.5335	49.2998	HAL2	1455	0	0	0	0.09	
-1457	H42	SLES	1	-1.69042	-28.4253	48.7352	HAL2	1455	0	0	0	0.09	
-1458	C5	SLES	1	-3.54811	-28.9382	47.6061	CTL2	1455	1459	1460	1461	-0.18	
-1459	H51	SLES	1	-4.64169	-29.0665	47.8244	HAL2	1458	0	0	0	0.09	
-1460	H52	SLES	1	-3.19215	-29.9463	47.2665	HAL2	1458	0	0	0	0.09	
-1461	C6	SLES	1	-3.46224	-28.0555	46.4371	CTL2	1458	1462	1463	1464	-0.18	
-1462	H61	SLES	1	-4.52058	-27.8036	46.1554	HAL2	1461	0	0	0	0.09	
-1463	H62	SLES	1	-3.06691	-28.6857	45.5958	HAL2	1461	0	0	0	0.09	
-1464	C7	SLES	1	-2.62694	-26.7788	46.5921	CTL2	1461	1465	1466	1467	-0.18	
-1465	H71	SLES	1	-3.01812	-26.0716	47.3611	HAL2	1464	0	0	0	0.09	
-1466	H72	SLES	1	-1.54657	-26.9649	46.7943	HAL2	1464	0	0	0	0.09	
-1467	C8	SLES	1	-2.80942	-26.2133	45.2303	CTL2	1464	1468	1469	1470	-0.18	
-1468	H81	SLES	1	-3.91817	-26.0743	45.0907	HAL2	1467	0	0	0	0.09	
-1469	H82	SLES	1	-2.41542	-26.9875	44.5121	HAL2	1467	0	0	0	0.09	
-1470	C9	SLES	1	-2.16863	-24.9221	44.8575	CTL2	1467	1471	1472	1473	-0.18	
-1471	H91	SLES	1	-2.53614	-24.1054	45.5183	HAL2	1470	0	0	0	0.09	
-1472	H92	SLES	1	-1.06214	-25.0012	44.9503	HAL2	1470	0	0	0	0.09	
-1473	C10	SLES	1	-2.64449	-24.789	43.4123	CTL2	1470	1474	1475	1476	-0.18	
-1474	H10	SLES	1	-3.76747	-24.7896	43.3784	HAL2	1473	0	0	0	0.09	
-1475	H10	SLES	1	-2.3042	-25.6782	42.8149	HAL2	1473	0	0	0	0.09	
-1476	C11	SLES	1	-2.17329	-23.5625	42.7009	CTL2	1473	1477	1478	1479	-0.18	
-1477	H11	SLES	1	-2.53112	-22.6823	43.2844	HAL2	1476	0	0	0	0.09	
-1478	H11	SLES	1	-1.05884	-23.5762	42.7179	HAL2	1476	0	0	0	0.09	
-1479	C12	SLES	1	-2.72433	-23.5628	41.2722	CTL3	1476	1480	1481	1482	-0.27	
-1480	H12	SLES	1	-3.37248	-22.6788	41.1152	HAL3	1479	0	0	0	0.09	
-1481	H12	SLES	1	-1.8902	-23.5792	40.5439	HAL3	1479	0	0	0	0.09	
-1482	H12	SLES	1	-3.35259	-24.4621	41.0579	HAL3	1479	0	0	0	0.09	
-1483	NA	SLES	1	12.8569	-34.0724	60.3416	NA	0	0	0	0	1	
-1484	S	SLES	1	10.8181	-35.4102	58.545	SL	1485	1486	1487	1488	1.33	
-1485	OS1	SLES	1	11.1459	-34.1442	57.8676	OSL	1484	1489	0	0	-0.28	
-1486	OS2	SLES	1	10.4219	-34.7006	59.7409	O2L	1484	0	0	0	-0.65	
-1487	OS3	SLES	1	12.2021	-35.8229	58.5079	O2L	1484	0	0	0	-0.65	
-1488	OS4	SLES	1	9.83642	-36.0738	57.734	O2L	1484	0	0	0	-0.65	
-1489	C2	SLES	1	10.6635	-33.6781	56.6712	CC32A	1485	1490	1491	1492	-0.11	
-1490	H2A	SLES	1	9.54869	-33.5578	56.7118	HCA2	1489	0	0	0	0.09	
-1491	H2B	SLES	1	10.9398	-34.3689	55.831	HCA2	1489	0	0	0	0.09	
-1492	C1	SLES	1	11.3759	-32.3142	56.5452	CC32A	1489	1493	1494	1495	-0.01	
-1493	H1B	SLES	1	11.1172	-31.6458	57.407	HCA2	1492	0	0	0	0.09	
-1494	H1A	SLES	1	12.4854	-32.4461	56.5151	HCA2	1492	0	0	0	0.09	
-1495	O1	SLES	1	11.1201	-31.527	55.4276	OC30A	1492	1496	0	0	-0.34	
-1496	C2	SLES	1	10.1981	-32.0129	54.4692	CC32A	1495	1497	1498	1499	-0.01	
-1497	H2A	SLES	1	9.18837	-32.1782	54.9432	HCA2	1496	0	0	0	0.09	
-1498	H2B	SLES	1	10.5428	-32.9776	54.0288	HCA2	1496	0	0	0	0.09	
-1499	C1	SLES	1	10.3438	-30.6234	53.7488	CC32A	1496	1500	1501	1502	-0.01	
-1500	H1B	SLES	1	9.27306	-30.4285	53.8942	HCA2	1499	0	0	0	0.09	
-1501	H1A	SLES	1	10.7963	-31.304	52.9398	HCA2	1499	0	0	0	0.09	
-1502	O1	SLES	1	10.5156	-29.6804	52.7225	OC30A	1499	1503	0	0	-0.34	
-1503	C1	SLES	1	9.61531	-29.7135	51.6242	CTL2	1502	1504	1505	1506	-0.18	
-1504	H11	SLES	1	8.52213	-29.7855	51.8831	HAL2	1503	0	0	0	0.09	
-1505	H12	SLES	1	9.85074	-30.5774	50.9529	HAL2	1503	0	0	0	0.09	
-1506	C2	SLES	1	9.95991	-28.3687	50.9855	CTL2	1503	1507	1508	1509	-0.18	
-1507	H21	SLES	1	9.67775	-27.4913	51.6156	HAL2	1506	0	0	0	0.09	
-1508	H22	SLES	1	11.0373	-28.281	50.7028	HAL2	1506	0	0	0	0.09	
-1509	C3	SLES	1	9.1421	-28.3675	49.7577	CTL2	1506	1510	1511	1512	-0.18	
-1510	H31	SLES	1	8.08142	-28.4604	50.1179	HAL2	1509	0	0	0	0.09	
-1511	H32	SLES	1	9.47819	-29.2756	49.1849	HAL2	1509	0	0	0	0.09	
-1512	C4	SLES	1	9.17866	-27.2189	48.8024	CTL2	1509	1513	1514	1515	-0.18	
-1513	H41	SLES	1	8.85283	-26.2695	49.2946	HAL2	1512	0	0	0	0.09	
-1514	H42	SLES	1	10.2047	-27.0614	48.3945	HAL2	1512	0	0	0	0.09	
-1515	C5	SLES	1	8.17637	-27.7624	47.7752	CTL2	1512	1516	1517	1518	-0.18	
-1516	H51	SLES	1	7.18665	-27.9696	48.2626	HAL2	1515	0	0	0	0.09	
-1517	H52	SLES	1	8.52276	-28.7506	47.373	HAL2	1515	0	0	0	0.09	
-1518	C6	SLES	1	7.89237	-26.9192	46.6083	CTL2	1515	1519	1520	1521	-0.18	
-1519	H61	SLES	1	6.77951	-26.7633	46.5969	HAL2	1518	0	0	0	0.09	
-1520	H62	SLES	1	8.11941	-27.5464	45.7047	HAL2	1518	0	0	0	0.09	
-1521	C7	SLES	1	8.62615	-25.575	46.529	CTL2	1518	1522	1523	1524	-0.18	
-1522	H71	SLES	1	8.37851	-24.8735	47.3604	HAL2	1521	0	0	0	0.09	
-1523	H72	SLES	1	9.73483	-25.6665	46.4569	HAL2	1521	0	0	0	0.09	
-1524	C8	SLES	1	8.06286	-25.0764	45.2478	CTL2	1521	1525	1526	1527	-0.18	
-1525	H81	SLES	1	6.94645	-25.0317	45.3883	HAL2	1524	0	0	0	0.09	
-1526	H82	SLES	1	8.33167	-25.8425	44.466	HAL2	1524	0	0	0	0.09	
-1527	C9	SLES	1	8.47661	-23.7527	44.7061	CTL2	1524	1528	1529	1530	-0.18	
-1528	H91	SLES	1	8.21545	-22.9443	45.4251	HAL2	1527	0	0	0	0.09	
-1529	H92	SLES	1	9.57403	-23.7396	44.5198	HAL2	1527	0	0	0	0.09	
-1530	C10	SLES	1	7.64703	-23.7114	43.4244	CTL2	1527	1531	1532	1533	-0.18	
-1531	H10	SLES	1	6.55522	-23.803	43.673	HAL2	1530	0	0	0	0.09	
-1532	H10	SLES	1	7.90396	-24.5919	42.7747	HAL2	1530	0	0	0	0.09	
-1533	C11	SLES	1	7.81867	-22.4781	42.5985	CTL2	1530	1534	1535	1536	-0.18	
-1534	H11	SLES	1	7.54212	-21.6085	43.2392	HAL2	1533	0	0	0	0.09	
-1535	H11	SLES	1	8.89926	-22.402	42.3358	HAL2	1533	0	0	0	0.09	
-1536	C12	SLES	1	6.93219	-22.5751	41.3537	CTL3	1533	1537	1538	1539	-0.27	
-1537	H12	SLES	1	6.1913	-21.7521	41.3503	HAL3	1536	0	0	0	0.09	
-1538	H12	SLES	1	7.55745	-22.5515	40.4399	HAL3	1536	0	0	0	0.09	
-1539	H12	SLES	1	6.35073	-23.529	41.3178	HAL3	1536	0	0	0	0.09	
-1540	NA	SLES	1	26.2712	-26.1426	59.8591	NA	0	0	0	0	1	
-1541	S	SLES	1	24.0378	-27.8484	58.7294	SL	1542	1543	1544	1545	1.33	
-1542	OS1	SLES	1	24.0899	-26.6655	57.8535	OSL	1541	1546	0	0	-0.28	
-1543	OS2	SLES	1	23.8371	-27.0135	59.8926	O2L	1541	0	0	0	-0.65	
-1544	OS3	SLES	1	25.416	-28.1653	58.4333	O2L	1541	0	0	0	-0.65	
-1545	OS4	SLES	1	22.9758	-28.6817	58.2399	O2L	1541	0	0	0	-0.65	
-1546	C2	SLES	1	23.322	-26.3993	56.7487	CC32A	1542	1547	1548	1549	-0.11	
-1547	H2A	SLES	1	22.2349	-26.3524	57.0221	HCA2	1546	0	0	0	0.09	
-1548	H2B	SLES	1	23.4798	-27.1761	55.9542	HCA2	1546	0	0	0	0.09	
-1549	C1	SLES	1	23.8556	-25.0187	56.3096	CC32A	1546	1550	1551	1552	-0.01	
-1550	H1B	SLES	1	23.7217	-24.2599	57.1237	HCA2	1549	0	0	0	0.09	
-1551	H1A	SLES	1	24.9409	-25.0761	56.0488	HCA2	1549	0	0	0	0.09	
-1552	O1	SLES	1	23.2935	-24.4088	55.1933	OC30A	1549	1553	0	0	-0.34	
-1553	C2	SLES	1	22.2409	-25.0822	54.5273	CC32A	1552	1554	1555	1556	-0.01	
-1554	H2A	SLES	1	21.3756	-25.2519	55.23	HCA2	1553	0	0	0	0.09	
-1555	H2B	SLES	1	22.5765	-26.0712	54.1364	HCA2	1553	0	0	0	0.09	
-1556	C1	SLES	1	22.0949	-23.7957	53.636	CC32A	1553	1557	1558	1559	-0.01	
-1557	H1B	SLES	1	21.0656	-23.6577	53.9924	HCA2	1556	0	0	0	0.09	
-1558	H1A	SLES	1	22.4296	-24.5459	52.8313	HCA2	1556	0	0	0	0.09	
-1559	O1	SLES	1	21.9528	-22.9898	52.4948	OC30A	1556	1560	0	0	-0.34	
-1560	C1	SLES	1	20.8478	-23.2329	51.6359	CTL2	1559	1561	1562	1563	-0.18	
-1561	H11	SLES	1	19.8466	-23.3451	52.1382	HAL2	1560	0	0	0	0.09	
-1562	H12	SLES	1	21.0184	-24.1609	51.0341	HAL2	1560	0	0	0	0.09	
-1563	C2	SLES	1	20.9168	-21.9657	50.7846	CTL2	1560	1564	1565	1566	-0.18	
-1564	H21	SLES	1	20.6908	-21.0331	51.3554	HAL2	1563	0	0	0	0.09	
-1565	H22	SLES	1	21.8961	-21.8423	50.261	HAL2	1563	0	0	0	0.09	
-1566	C3	SLES	1	19.8612	-22.1866	49.7781	CTL2	1563	1567	1568	1569	-0.18	
-1567	H31	SLES	1	18.9152	-22.3036	50.3736	HAL2	1566	0	0	0	0.09	
-1568	H32	SLES	1	20.1549	-23.138	49.2543	HAL2	1566	0	0	0	0.09	
-1569	C4	SLES	1	19.5827	-21.1774	48.7118	CTL2	1566	1570	1571	1572	-0.18	
-1570	H41	SLES	1	19.2779	-20.1953	49.1503	HAL2	1569	0	0	0	0.09	
-1571	H42	SLES	1	20.4787	-21.0053	48.0703	HAL2	1569	0	0	0	0.09	
-1572	C5	SLES	1	18.4431	-21.9225	48.0037	CTL2	1569	1573	1574	1575	-0.18	
-1573	H51	SLES	1	17.6041	-22.1304	48.7198	HAL2	1572	0	0	0	0.09	
-1574	H52	SLES	1	18.7908	-22.9294	47.6521	HAL2	1572	0	0	0	0.09	
-1575	C6	SLES	1	17.8377	-21.2659	46.8394	CTL2	1572	1576	1577	1578	-0.18	
-1576	H61	SLES	1	16.738	-21.1906	47.058	HAL2	1575	0	0	0	0.09	
-1577	H62	SLES	1	17.9279	-21.9917	45.9871	HAL2	1575	0	0	0	0.09	
-1578	C7	SLES	1	18.4038	-19.8969	46.4431	CTL2	1575	1579	1580	1581	-0.18	
-1579	H71	SLES	1	18.2711	-19.1088	47.2214	HAL2	1578	0	0	0	0.09	
-1580	H72	SLES	1	19.4756	-19.9201	46.1372	HAL2	1578	0	0	0	0.09	
-1581	C8	SLES	1	17.5361	-19.6157	45.2703	CTL2	1578	1582	1583	1584	-0.18	
-1582	H81	SLES	1	16.4759	-19.6301	45.6497	HAL2	1581	0	0	0	0.09	
-1583	H82	SLES	1	17.7062	-20.4596	44.5428	HAL2	1581	0	0	0	0.09	
-1584	C9	SLES	1	17.695	-18.3514	44.5	CTL2	1581	1585	1586	1587	-0.18	
-1585	H91	SLES	1	17.5148	-17.4737	45.1602	HAL2	1584	0	0	0	0.09	
-1586	H92	SLES	1	18.7214	-18.2874	44.074	HAL2	1584	0	0	0	0.09	
-1587	C10	SLES	1	16.6126	-18.5408	43.4393	CTL2	1584	1588	1589	1590	-0.18	
-1588	H10	SLES	1	15.6125	-18.6737	43.9336	HAL2	1587	0	0	0	0.09	
-1589	H10	SLES	1	16.8103	-19.4808	42.8556	HAL2	1587	0	0	0	0.09	
-1590	C11	SLES	1	16.4846	-17.421	42.4583	CTL2	1587	1591	1592	1593	-0.18	
-1591	H11	SLES	1	16.267	-16.4944	43.0389	HAL2	1590	0	0	0	0.09	
-1592	H11	SLES	1	17.4724	-17.3062	41.9547	HAL2	1590	0	0	0	0.09	
-1593	C12	SLES	1	15.3682	-17.7461	41.4619	CTL3	1590	1594	1595	1596	-0.27	
-1594	H12	SLES	1	14.567	-16.9845	41.528	HAL3	1593	0	0	0	0.09	
-1595	H12	SLES	1	15.7802	-17.8024	40.4356	HAL3	1593	0	0	0	0.09	
-1596	H12	SLES	1	14.8878	-18.7342	41.6675	HAL3	1593	0	0	0	0.09	
-1597	NA	SLES	1	35.2479	-13.4918	59.3361	NA	0	0	0	0	1	
-1598	S	SLES	1	33.0583	-15.5442	58.9267	SL	1599	1600	1601	1602	1.33	
-1599	OS1	SLES	1	32.8715	-14.57	57.838	OSL	1598	1603	0	0	-0.28	
-1600	OS2	SLES	1	32.9398	-14.5	59.9198	O2L	1598	0	0	0	-0.65	
-1601	OS3	SLES	1	34.4065	-15.8214	58.4873	O2L	1598	0	0	0	-0.65	
-1602	OS4	SLES	1	32.026	-16.5318	58.7826	O2L	1598	0	0	0	-0.65	
-1603	C2	SLES	1	31.9352	-14.5937	56.8361	CC32A	1599	1604	1605	1606	-0.11	
-1604	H2A	SLES	1	30.8972	-14.5647	57.2612	HCA2	1603	0	0	0	0.09	
-1605	H2B	SLES	1	32.0569	-15.507	56.1952	HCA2	1603	0	0	0	0.09	
-1606	C1	SLES	1	32.2639	-13.3025	56.0563	CC32A	1603	1607	1608	1609	-0.01	
-1607	H1B	SLES	1	32.1702	-12.4011	56.7159	HCA2	1606	0	0	0	0.09	
-1608	H1A	SLES	1	33.3028	-13.3392	55.6458	HCA2	1606	0	0	0	0.09	
-1609	O1	SLES	1	31.4949	-12.9794	54.9434	OC30A	1606	1610	0	0	-0.34	
-1610	C2	SLES	1	30.4316	-13.8472	54.5955	CC32A	1609	1611	1612	1613	-0.01	
-1611	H2A	SLES	1	29.6932	-13.9246	55.4442	HCA2	1610	0	0	0	0.09	
-1612	H2B	SLES	1	30.8055	-14.8709	54.3593	HCA2	1610	0	0	0	0.09	
-1613	C1	SLES	1	30.0372	-12.7886	53.5025	CC32A	1610	1614	1615	1616	-0.01	
-1614	H1B	SLES	1	29.0588	-12.6496	53.9811	HCA2	1613	0	0	0	0.09	
-1615	H1A	SLES	1	30.3292	-13.666	52.8189	HCA2	1613	0	0	0	0.09	
-1616	O1	SLES	1	29.6593	-12.2509	52.2615	OC30A	1613	1617	0	0	-0.34	
-1617	C1	SLES	1	28.4751	-12.7429	51.6504	CTL2	1616	1618	1619	1620	-0.18	
-1618	H11	SLES	1	27.5694	-12.8155	52.3149	HAL2	1617	0	0	0	0.09	
-1619	H12	SLES	1	28.6511	-13.7625	51.2238	HAL2	1617	0	0	0	0.09	
-1620	C2	SLES	1	28.3001	-11.6803	50.5664	CTL2	1617	1621	1622	1623	-0.18	
-1621	H21	SLES	1	28.0647	-10.6665	50.9707	HAL2	1620	0	0	0	0.09	
-1622	H22	SLES	1	29.1802	-11.6028	49.8824	HAL2	1620	0	0	0	0.09	
-1623	C3	SLES	1	27.1419	-12.1781	49.8003	CTL2	1620	1624	1625	1626	-0.18	
-1624	H31	SLES	1	26.3039	-12.232	50.5474	HAL2	1623	0	0	0	0.09	
-1625	H32	SLES	1	27.4523	-13.1958	49.4346	HAL2	1623	0	0	0	0.09	
-1626	C4	SLES	1	26.62	-11.4357	48.6131	CTL2	1623	1627	1628	1629	-0.18	
-1627	H41	SLES	1	26.2837	-10.4067	48.892	HAL2	1626	0	0	0	0.09	
-1628	H42	SLES	1	27.3968	-11.3411	47.8185	HAL2	1626	0	0	0	0.09	
-1629	C5	SLES	1	25.4721	-12.3882	48.2521	CTL2	1626	1630	1631	1632	-0.18	
-1630	H51	SLES	1	24.7653	-12.4983	49.1172	HAL2	1629	0	0	0	0.09	
-1631	H52	SLES	1	25.8651	-13.4204	48.0556	HAL2	1629	0	0	0	0.09	
-1632	C6	SLES	1	24.6492	-12.0325	47.0904	CTL2	1629	1633	1634	1635	-0.18	
-1633	H61	SLES	1	23.5884	-11.9882	47.4588	HAL2	1632	0	0	0	0.09	
-1634	H62	SLES	1	24.6912	-12.9128	46.3942	HAL2	1632	0	0	0	0.09	
-1635	C7	SLES	1	25.0171	-10.7415	46.3492	CTL2	1632	1636	1637	1638	-0.18	
-1636	H71	SLES	1	24.9167	-9.81888	46.9683	HAL2	1635	0	0	0	0.09	
-1637	H72	SLES	1	26.033	-10.7551	45.8904	HAL2	1635	0	0	0	0.09	
-1638	C8	SLES	1	23.9714	-10.7715	45.2941	CTL2	1635	1639	1640	1641	-0.18	
-1639	H81	SLES	1	22.9808	-10.7784	45.8296	HAL2	1638	0	0	0	0.09	
-1640	H82	SLES	1	24.1212	-11.7354	44.7293	HAL2	1638	0	0	0	0.09	
-1641	C9	SLES	1	23.8965	-9.68865	44.275	CTL2	1638	1642	1643	1644	-0.18	
-1642	H91	SLES	1	23.7242	-8.70655	44.7695	HAL2	1641	0	0	0	0.09	
-1643	H92	SLES	1	24.8425	-9.64544	43.6898	HAL2	1641	0	0	0	0.09	
-1644	C10	SLES	1	22.7013	-10.169	43.4544	CTL2	1641	1645	1646	1647	-0.18	
-1645	H10	SLES	1	21.7975	-10.2632	44.1151	HAL2	1644	0	0	0	0.09	
-1646	H10	SLES	1	22.9077	-11.1946	43.0435	HAL2	1644	0	0	0	0.09	
-1647	C11	SLES	1	22.3286	-9.29059	42.3046	CTL2	1644	1648	1649	1650	-0.18	
-1648	H11	SLES	1	22.1035	-8.28004	42.7183	HAL2	1647	0	0	0	0.09	
-1649	H11	SLES	1	23.2207	-9.2167	41.6404	HAL2	1647	0	0	0	0.09	
-1650	C12	SLES	1	21.1222	-9.89209	41.5783	CTL3	1647	1651	1652	1653	-0.27	
-1651	H12	SLES	1	20.2669	-9.18994	41.6175	HAL3	1650	0	0	0	0.09	
-1652	H12	SLES	1	21.3912	-10.1337	40.5316	HAL3	1650	0	0	0	0.09	
-1653	H12	SLES	1	20.7747	-10.8457	42.0466	HAL3	1650	0	0	0	0.09	
-1654	NA	SLES	1	49.3873	1.64418	47.3182	NA	0	0	0	0	1	
-1655	S	SLES	1	47.5064	-0.607557	48.0705	SL	1656	1657	1658	1659	1.33	
-1656	OS1	SLES	1	46.8673	0.0495181	46.9176	OSL	1655	1660	0	0	-0.28	
-1657	OS2	SLES	1	47.5268	0.637759	48.805	O2L	1655	0	0	0	-0.65	
-1658	OS3	SLES	1	48.694	-0.880562	47.2945	O2L	1655	0	0	0	-0.65	
-1659	OS4	SLES	1	46.6367	-1.67631	48.4746	O2L	1655	0	0	0	-0.65	
-1660	C2	SLES	1	45.6946	-0.293442	46.2944	CC32A	1656	1661	1662	1663	-0.11	
-1661	H2A	SLES	1	44.8331	-0.239842	47.0112	HCA2	1660	0	0	0	0.09	
-1662	H2B	SLES	1	45.7599	-1.32482	45.8568	HCA2	1660	0	0	0	0.09	
-1663	C1	SLES	1	45.5852	0.785828	45.1959	CC32A	1660	1664	1665	1666	-0.01	
-1664	H1B	SLES	1	45.5536	1.81251	45.6445	HCA2	1663	0	0	0	0.09	
-1665	H1A	SLES	1	46.453	0.728524	44.4939	HCA2	1663	0	0	0	0.09	
-1666	O1	SLES	1	44.4864	0.763312	44.3436	OC30A	1663	1667	0	0	-0.34	
-1667	C2	SLES	1	43.5104	-0.242648	44.5438	CC32A	1666	1668	1669	1670	-0.01	
-1668	H2A	SLES	1	43.071	-0.164001	45.5793	HCA2	1667	0	0	0	0.09	
-1669	H2B	SLES	1	43.9482	-1.26114	44.4233	HCA2	1667	0	0	0	0.09	
-1670	C1	SLES	1	42.6613	0.478817	43.4351	CC32A	1667	1671	1672	1673	-0.01	
-1671	H1B	SLES	1	41.8551	0.65649	44.159	HCA2	1670	0	0	0	0.09	
-1672	H1A	SLES	1	42.8697	-0.515444	42.8962	HCA2	1670	0	0	0	0.09	
-1673	O1	SLES	1	41.8627	0.661847	42.2945	OC30A	1670	1674	0	0	-0.34	
-1674	C1	SLES	1	40.6396	-0.0556061	42.2104	CTL2	1673	1675	1676	1677	-0.18	
-1675	H11	SLES	1	39.9878	-0.0306716	43.128	HAL2	1674	0	0	0	0.09	
-1676	H12	SLES	1	40.8345	-1.13244	41.9761	HAL2	1674	0	0	0	0.09	
-1677	C2	SLES	1	39.9998	0.688909	41.0394	CTL2	1674	1678	1679	1680	-0.18	
-1678	H21	SLES	1	39.7432	1.75006	41.2733	HAL2	1677	0	0	0	0.09	
-1679	H22	SLES	1	40.6209	0.661981	40.111	HAL2	1677	0	0	0	0.09	
-1680	C3	SLES	1	38.757	-0.0705721	40.805	CTL2	1677	1681	1682	1683	-0.18	
-1681	H31	SLES	1	38.1905	-0.00200562	41.7734	HAL2	1680	0	0	0	0.09	
-1682	H32	SLES	1	39.0964	-1.1202	40.5838	HAL2	1680	0	0	0	0.09	
-1683	C4	SLES	1	37.8074	0.312422	39.7167	CTL2	1680	1684	1685	1686	-0.18	
-1684	H41	SLES	1	37.4167	1.34952	39.8635	HAL2	1683	0	0	0	0.09	
-1685	H42	SLES	1	38.2962	0.266707	38.7153	HAL2	1683	0	0	0	0.09	
-1686	C5	SLES	1	36.7603	-0.785032	39.9497	CTL2	1683	1687	1688	1689	-0.18	
-1687	H51	SLES	1	36.3604	-0.731426	40.9972	HAL2	1686	0	0	0	0.09	
-1688	H52	SLES	1	37.229	-1.8004	39.8616	HAL2	1686	0	0	0	0.09	
-1689	C6	SLES	1	35.5914	-0.792326	39.0625	CTL2	1686	1690	1691	1692	-0.18	
-1690	H61	SLES	1	34.6896	-0.739757	39.7309	HAL2	1689	0	0	0	0.09	
-1691	H62	SLES	1	35.5605	-1.81162	38.592	HAL2	1689	0	0	0	0.09	
-1692	C7	SLES	1	35.5303	0.29928	37.9872	CTL2	1689	1693	1694	1695	-0.18	
-1693	H71	SLES	1	35.4774	1.33595	38.396	HAL2	1692	0	0	0	0.09	
-1694	H72	SLES	1	36.3589	0.250531	37.2431	HAL2	1692	0	0	0	0.09	
-1695	C8	SLES	1	34.2398	-0.0712677	37.351	CTL2	1692	1696	1697	1698	-0.18	
-1696	H81	SLES	1	33.4605	-0.0213796	38.1624	HAL2	1695	0	0	0	0.09	
-1697	H82	SLES	1	34.3614	-1.13052	36.9854	HAL2	1695	0	0	0	0.09	
-1698	C9	SLES	1	33.7105	0.716524	36.2038	CTL2	1695	1699	1700	1701	-0.18	
-1699	H91	SLES	1	33.5444	1.77424	36.5077	HAL2	1698	0	0	0	0.09	
-1700	H92	SLES	1	34.4277	0.685989	35.353	HAL2	1698	0	0	0	0.09	
-1701	C10	SLES	1	32.4142	-0.0423176	35.9272	CTL2	1698	1702	1703	1704	-0.18	
-1702	H10	SLES	1	31.7664	-0.0391775	36.8451	HAL2	1701	0	0	0	0.09	
-1703	H10	SLES	1	32.6433	-1.11881	35.6988	HAL2	1701	0	0	0	0.09	
-1704	C11	SLES	1	31.5962	0.492708	34.7971	CTL2	1701	1705	1706	1707	-0.18	
-1705	H11	SLES	1	31.3524	1.55386	35.0372	HAL2	1704	0	0	0	0.09	
-1706	H11	SLES	1	32.2349	0.468091	33.8839	HAL2	1704	0	0	0	0.09	
-1707	C12	SLES	1	30.3348	-0.360704	34.6368	CTL3	1704	1708	1709	1710	-0.27	
-1708	H12	SLES	1	29.4329	0.261463	34.7964	HAL3	1707	0	0	0	0.09	
-1709	H12	SLES	1	30.3208	-0.832578	33.6351	HAL3	1707	0	0	0	0.09	
-1710	H12	SLES	1	30.2855	-1.19245	35.3819	HAL3	1707	0	0	0	0.09	
-1711	NA	SLES	1	46.8651	16.4648	46.9638	NA	0	0	0	0	1	
-1712	S	SLES	1	45.2182	14.2439	48.2004	SL	1713	1714	1715	1716	1.33	
-1713	OS1	SLES	1	44.5702	14.5197	46.9069	OSL	1712	1717	0	0	-0.28	
-1714	OS2	SLES	1	45.0562	15.6219	48.6074	O2L	1712	0	0	0	-0.65	
-1715	OS3	SLES	1	46.469	13.9424	47.5433	O2L	1712	0	0	0	-0.65	
-1716	OS4	SLES	1	44.4569	13.204	48.8336	O2L	1712	0	0	0	-0.65	
-1717	C2	SLES	1	43.4796	13.8937	46.3592	CC32A	1713	1718	1719	1720	-0.11	
-1718	H2A	SLES	1	42.5806	14.0104	47.0204	HCA2	1717	0	0	0	0.09	
-1719	H2B	SLES	1	43.6863	12.8037	46.1894	HCA2	1717	0	0	0	0.09	
-1720	C1	SLES	1	43.3054	14.6548	45.0273	CC32A	1717	1721	1722	1723	-0.01	
-1721	H1B	SLES	1	43.1321	15.7471	45.2097	HCA2	1720	0	0	0	0.09	
-1722	H1A	SLES	1	44.2103	14.5389	44.3816	HCA2	1720	0	0	0	0.09	
-1723	O1	SLES	1	42.2636	14.2914	44.1808	OC30A	1720	1724	0	0	-0.34	
-1724	C2	SLES	1	41.4003	13.2496	44.5985	CC32A	1723	1725	1726	1727	-0.01	
-1725	H2A	SLES	1	40.9003	13.5197	45.5724	HCA2	1724	0	0	0	0.09	
-1726	H2B	SLES	1	41.9582	12.2947	44.7417	HCA2	1724	0	0	0	0.09	
-1727	C1	SLES	1	40.5342	13.5718	43.3269	CC32A	1724	1728	1729	1730	-0.01	
-1728	H1B	SLES	1	39.6755	13.8166	43.966	HCA2	1727	0	0	0	0.09	
-1729	H1A	SLES	1	40.884	12.5111	43.0533	HCA2	1727	0	0	0	0.09	
-1730	O1	SLES	1	39.7818	13.3743	42.1578	OC30A	1727	1731	0	0	-0.34	
-1731	C1	SLES	1	38.6555	12.5112	42.2233	CTL2	1730	1732	1733	1734	-0.18	
-1732	H11	SLES	1	37.9572	12.6747	43.091	HAL2	1731	0	0	0	0.09	
-1733	H12	SLES	1	38.9851	11.4425	42.2647	HAL2	1731	0	0	0	0.09	
-1734	C2	SLES	1	37.9977	12.8666	40.8906	CTL2	1731	1735	1736	1737	-0.18	
-1735	H21	SLES	1	37.6087	13.9125	40.8512	HAL2	1734	0	0	0	0.09	
-1736	H22	SLES	1	38.6664	12.6948	40.0122	HAL2	1734	0	0	0	0.09	
-1737	C3	SLES	1	36.8647	11.9244	40.8203	CTL2	1734	1738	1739	1740	-0.18	
-1738	H31	SLES	1	36.2433	12.1528	41.7286	HAL2	1737	0	0	0	0.09	
-1739	H32	SLES	1	37.3338	10.9031	40.8712	HAL2	1737	0	0	0	0.09	
-1740	C4	SLES	1	35.9367	11.9132	39.6492	CTL2	1737	1741	1742	1743	-0.18	
-1741	H41	SLES	1	35.4221	12.8982	39.528	HAL2	1740	0	0	0	0.09	
-1742	H42	SLES	1	36.4802	11.6892	38.7013	HAL2	1740	0	0	0	0.09	
-1743	C5	SLES	1	35.0118	10.7824	40.1193	CTL2	1740	1744	1745	1746	-0.18	
-1744	H51	SLES	1	34.5532	11.0361	41.1119	HAL2	1743	0	0	0	0.09	
-1745	H52	SLES	1	35.5982	9.84214	40.2939	HAL2	1743	0	0	0	0.09	
-1746	C6	SLES	1	33.9005	10.4165	39.2336	CTL2	1743	1747	1748	1749	-0.18	
-1747	H61	SLES	1	32.9642	10.5156	39.8471	HAL2	1746	0	0	0	0.09	
-1748	H62	SLES	1	34.0121	9.3183	39.0267	HAL2	1746	0	0	0	0.09	
-1749	C7	SLES	1	33.7716	11.2012	37.9224	CTL2	1746	1750	1751	1752	-0.18	
-1750	H71	SLES	1	33.5781	12.2908	38.0632	HAL2	1749	0	0	0	0.09	
-1751	H72	SLES	1	34.6388	11.0785	37.2327	HAL2	1749	0	0	0	0.09	
-1752	C8	SLES	1	32.568	10.5308	37.3661	CTL2	1749	1753	1754	1755	-0.18	
-1753	H81	SLES	1	31.746	10.6769	38.1218	HAL2	1752	0	0	0	0.09	
-1754	H82	SLES	1	32.8299	9.43835	37.2743	HAL2	1752	0	0	0	0.09	
-1755	C9	SLES	1	32.0135	10.9474	36.0486	CTL2	1752	1756	1757	1758	-0.18	
-1756	H91	SLES	1	31.711	12.018	36.0799	HAL2	1755	0	0	0	0.09	
-1757	H92	SLES	1	32.7738	10.8027	35.2484	HAL2	1755	0	0	0	0.09	
-1758	C10	SLES	1	30.8297	9.989	35.9358	CTL2	1755	1759	1760	1761	-0.18	
-1759	H10	SLES	1	30.1379	10.1321	36.8094	HAL2	1758	0	0	0	0.09	
-1760	H10	SLES	1	31.1929	8.92633	35.9838	HAL2	1758	0	0	0	0.09	
-1761	C11	SLES	1	30.0169	10.1304	34.6901	CTL2	1758	1762	1763	1764	-0.18	
-1762	H11	SLES	1	29.6404	11.1793	34.6568	HAL2	1761	0	0	0	0.09	
-1763	H11	SLES	1	30.702	9.96668	33.8262	HAL2	1761	0	0	0	0.09	
-1764	C12	SLES	1	28.8724	9.11335	34.7142	CTL3	1761	1765	1766	1767	-0.27	
-1765	H12	SLES	1	27.8977	9.63834	34.695	HAL3	1764	0	0	0	0.09	
-1766	H12	SLES	1	28.9662	8.41646	33.8586	HAL3	1764	0	0	0	0.09	
-1767	H12	SLES	1	28.8794	8.4857	35.6391	HAL3	1764	0	0	0	0.09	
-1768	NA	SLES	1	39.964	29.7702	46.7412	NA	0	0	0	0	1	
-1769	S	SLES	1	38.4233	27.6646	48.2796	SL	1770	1771	1772	1773	1.33	
-1770	OS1	SLES	1	37.9162	27.5714	46.8999	OSL	1769	1774	0	0	-0.28	
-1771	OS2	SLES	1	38.0648	29.0637	48.3469	O2L	1769	0	0	0	-0.65	
-1772	OS3	SLES	1	39.7715	27.3985	47.8337	O2L	1769	0	0	0	-0.65	
-1773	OS4	SLES	1	37.7048	26.6914	49.0533	O2L	1769	0	0	0	-0.65	
-1774	C2	SLES	1	36.9761	26.7048	46.4034	CC32A	1770	1775	1776	1777	-0.11	
-1775	H2A	SLES	1	35.9943	26.8393	46.9296	HCA2	1774	0	0	0	0.09	
-1776	H2B	SLES	1	37.3181	25.6408	46.5053	HCA2	1774	0	0	0	0.09	
-1777	C1	SLES	1	36.8891	27.1361	44.9235	CC32A	1774	1778	1779	1780	-0.01	
-1778	H1B	SLES	1	36.5782	28.2095	44.8366	HCA2	1777	0	0	0	0.09	
-1779	H1A	SLES	1	37.8748	27.0065	44.4127	HCA2	1777	0	0	0	0.09	
-1780	O1	SLES	1	36.0063	26.4668	44.0828	OC30A	1777	1781	0	0	-0.34	
-1781	C2	SLES	1	35.2144	25.4327	44.6381	CC32A	1780	1782	1783	1784	-0.01	
-1782	H2A	SLES	1	34.5705	25.8347	45.4719	HCA2	1781	0	0	0	0.09	
-1783	H2B	SLES	1	35.8492	24.6123	45.0474	HCA2	1781	0	0	0	0.09	
-1784	C1	SLES	1	34.4845	25.3603	43.2478	CC32A	1781	1785	1786	1787	-0.01	
-1785	H1B	SLES	1	33.5314	25.6194	43.7276	HCA2	1784	0	0	0	0.09	
-1786	H1A	SLES	1	34.9775	24.3214	43.2566	HCA2	1784	0	0	0	0.09	
-1787	O1	SLES	1	33.9097	24.8215	42.0854	OC30A	1784	1788	0	0	-0.34	
-1788	C1	SLES	1	32.8831	23.8507	42.2332	CTL2	1787	1789	1790	1791	-0.18	
-1789	H11	SLES	1	32.0684	24.1009	42.9687	HAL2	1788	0	0	0	0.09	
-1790	H12	SLES	1	33.3177	22.8684	42.5471	HAL2	1788	0	0	0	0.09	
-1791	C2	SLES	1	32.3627	23.8251	40.7967	CTL2	1788	1792	1793	1794	-0.18	
-1792	H21	SLES	1	31.8717	24.7779	40.484	HAL2	1791	0	0	0	0.09	
-1793	H22	SLES	1	33.1505	23.5607	40.0498	HAL2	1791	0	0	0	0.09	
-1794	C3	SLES	1	31.3551	22.7481	40.83	CTL2	1791	1795	1796	1797	-0.18	
-1795	H31	SLES	1	30.6041	23.0798	41.5977	HAL2	1794	0	0	0	0.09	
-1796	H32	SLES	1	31.921	21.832	41.1562	HAL2	1794	0	0	0	0.09	
-1797	C4	SLES	1	30.5873	22.366	39.6063	CTL2	1794	1798	1799	1800	-0.18	
-1798	H41	SLES	1	29.9892	23.226	39.2159	HAL2	1797	0	0	0	0.09	
-1799	H42	SLES	1	31.2659	22.0198	38.7917	HAL2	1797	0	0	0	0.09	
-1800	C5	SLES	1	29.7376	21.2486	40.2265	CTL2	1797	1801	1802	1803	-0.18	
-1801	H51	SLES	1	29.134	21.6443	41.0862	HAL2	1800	0	0	0	0.09	
-1802	H52	SLES	1	30.395	20.4528	40.6657	HAL2	1800	0	0	0	0.09	
-1803	C6	SLES	1	28.7914	20.5595	39.3415	CTL2	1800	1804	1805	1806	-0.18	
-1804	H61	SLES	1	27.7807	20.6618	39.8219	HAL2	1803	0	0	0	0.09	
-1805	H62	SLES	1	29.0451	19.467	39.4	HAL2	1803	0	0	0	0.09	
-1806	C7	SLES	1	28.744	21.0239	37.8809	CTL2	1803	1807	1808	1809	-0.18	
-1807	H71	SLES	1	28.4187	22.0832	37.7522	HAL2	1806	0	0	0	0.09	
-1808	H72	SLES	1	29.6987	20.8733	37.3253	HAL2	1806	0	0	0	0.09	
-1809	C8	SLES	1	27.6983	20.0976	37.3749	CTL2	1806	1810	1811	1812	-0.18	
-1810	H81	SLES	1	26.7774	20.2908	37.9936	HAL2	1809	0	0	0	0.09	
-1811	H82	SLES	1	28.0852	19.055	37.5584	HAL2	1809	0	0	0	0.09	
-1812	C9	SLES	1	27.2713	20.1481	35.9494	CTL2	1809	1813	1814	1815	-0.18	
-1813	H91	SLES	1	26.8542	21.1513	35.7082	HAL2	1812	0	0	0	0.09	
-1814	H92	SLES	1	28.1367	19.9387	35.2813	HAL2	1812	0	0	0	0.09	
-1815	C10	SLES	1	26.2206	19.0397	35.9403	CTL2	1812	1816	1817	1818	-0.18	
-1816	H10	SLES	1	25.4137	19.2722	36.6867	HAL2	1815	0	0	0	0.09	
-1817	H10	SLES	1	26.6868	18.069	36.2625	HAL2	1815	0	0	0	0.09	
-1818	C11	SLES	1	25.5594	18.8048	34.6211	CTL2	1815	1819	1820	1821	-0.18	
-1819	H11	SLES	1	25.0797	19.7635	34.315	HAL2	1818	0	0	0	0.09	
-1820	H11	SLES	1	26.3607	18.5534	33.8881	HAL2	1818	0	0	0	0.09	
-1821	C12	SLES	1	24.5367	17.6738	34.7618	CTL3	1818	1822	1823	1824	-0.27	
-1822	H12	SLES	1	23.5213	18.0492	34.5288	HAL3	1821	0	0	0	0.09	
-1823	H12	SLES	1	24.8108	16.8299	34.0991	HAL3	1821	0	0	0	0.09	
-1824	H12	SLES	1	24.4953	17.2633	35.8006	HAL3	1821	0	0	0	0.09	
-1825	NA	SLES	1	29.358	40.3289	46.6723	NA	0	0	0	0	1	
-1826	S	SLES	1	27.7881	38.3139	48.3002	SL	1827	1828	1829	1830	1.33	
-1827	OS1	SLES	1	27.5568	37.9291	46.8975	OSL	1826	1831	0	0	-0.28	
-1828	OS2	SLES	1	27.2794	39.6439	48.0489	O2L	1826	0	0	0	-0.65	
-1829	OS3	SLES	1	29.2157	38.1633	48.1372	O2L	1826	0	0	0	-0.65	
-1830	OS4	SLES	1	27.0448	37.3921	49.1123	O2L	1826	0	0	0	-0.65	
-1831	C2	SLES	1	26.82	36.8742	46.4226	CC32A	1827	1832	1833	1834	-0.11	
-1832	H2A	SLES	1	25.7494	36.9588	46.7476	HCA2	1831	0	0	0	0.09	
-1833	H2B	SLES	1	27.2465	35.8971	46.7735	HCA2	1831	0	0	0	0.09	
-1834	C1	SLES	1	26.963	37.0424	44.8946	CC32A	1831	1835	1836	1837	-0.01	
-1835	H1B	SLES	1	26.5632	38.0351	44.5616	HCA2	1834	0	0	0	0.09	
-1836	H1A	SLES	1	28.034	36.9655	44.5843	HCA2	1834	0	0	0	0.09	
-1837	O1	SLES	1	26.3251	36.1317	44.0592	OC30A	1834	1838	0	0	-0.34	
-1838	C2	SLES	1	25.5567	35.1047	44.6588	CC32A	1837	1839	1840	1841	-0.01	
-1839	H2A	SLES	1	24.7316	35.5467	45.2877	HCA2	1838	0	0	0	0.09	
-1840	H2B	SLES	1	26.1871	34.4555	45.3104	HCA2	1838	0	0	0	0.09	
-1841	C1	SLES	1	25.1073	34.7084	43.2056	CC32A	1838	1842	1843	1844	-0.01	
-1842	H1B	SLES	1	24.0603	34.911	43.4672	HCA2	1841	0	0	0	0.09	
-1843	H1A	SLES	1	25.6959	33.7612	43.4862	HCA2	1841	0	0	0	0.09	
-1844	O1	SLES	1	24.8162	33.9144	42.0845	OC30A	1841	1845	0	0	-0.34	
-1845	C1	SLES	1	23.887	32.8511	42.2392	CTL2	1844	1846	1847	1848	-0.18	
-1846	H11	SLES	1	22.929	33.1055	42.7729	HAL2	1845	0	0	0	0.09	
-1847	H12	SLES	1	24.3563	32.001	42.7956	HAL2	1845	0	0	0	0.09	
-1848	C2	SLES	1	23.646	32.5212	40.7668	CTL2	1845	1849	1850	1851	-0.18	
-1849	H21	SLES	1	23.1244	33.335	40.2079	HAL2	1848	0	0	0	0.09	
-1850	H22	SLES	1	24.5812	32.2474	40.2202	HAL2	1848	0	0	0	0.09	
-1851	C3	SLES	1	22.7675	31.338	40.8333	CTL2	1848	1852	1853	1854	-0.18	
-1852	H31	SLES	1	21.8574	31.6859	41.3936	HAL2	1851	0	0	0	0.09	
-1853	H32	SLES	1	23.3559	30.5724	41.4107	HAL2	1851	0	0	0	0.09	
-1854	C4	SLES	1	22.2827	30.661	39.5924	CTL2	1851	1855	1856	1857	-0.18	
-1855	H41	SLES	1	21.6805	31.3569	38.9577	HAL2	1854	0	0	0	0.09	
-1856	H42	SLES	1	23.1322	30.2814	38.9775	HAL2	1854	0	0	0	0.09	
-1857	C5	SLES	1	21.4545	29.5554	40.2609	CTL2	1854	1858	1859	1860	-0.18	
-1858	H51	SLES	1	20.6647	30.0008	40.9226	HAL2	1857	0	0	0	0.09	
-1859	H52	SLES	1	22.099	28.9382	40.9407	HAL2	1857	0	0	0	0.09	
-1860	C6	SLES	1	20.765	28.6096	39.3759	CTL2	1857	1861	1862	1863	-0.18	
-1861	H61	SLES	1	19.6779	28.6514	39.6575	HAL2	1860	0	0	0	0.09	
-1862	H62	SLES	1	21.1161	27.5857	39.6755	HAL2	1860	0	0	0	0.09	
-1863	C7	SLES	1	20.9396	28.8186	37.8668	CTL2	1860	1864	1865	1866	-0.18	
-1864	H71	SLES	1	20.5348	29.7889	37.4936	HAL2	1863	0	0	0	0.09	
-1865	H72	SLES	1	21.9908	28.7098	37.5119	HAL2	1863	0	0	0	0.09	
-1866	C8	SLES	1	20.1076	27.6895	37.3765	CTL2	1863	1867	1868	1869	-0.18	
-1867	H81	SLES	1	19.0733	27.8548	37.7902	HAL2	1866	0	0	0	0.09	
-1868	H82	SLES	1	20.5607	26.7528	37.8099	HAL2	1866	0	0	0	0.09	
-1869	C9	SLES	1	19.9479	27.4484	35.916	CTL2	1866	1870	1871	1872	-0.18	
-1870	H91	SLES	1	19.4801	28.3331	35.4291	HAL2	1869	0	0	0	0.09	
-1871	H92	SLES	1	20.9388	27.2517	35.4483	HAL2	1869	0	0	0	0.09	
-1872	C10	SLES	1	19.0384	26.2217	35.9401	CTL2	1869	1873	1874	1875	-0.18	
-1873	H10	SLES	1	18.0879	26.4617	36.4889	HAL2	1872	0	0	0	0.09	
-1874	H10	SLES	1	19.5359	25.3886	36.5075	HAL2	1872	0	0	0	0.09	
-1875	C11	SLES	1	18.6601	25.6875	34.597	CTL2	1872	1876	1877	1878	-0.18	
-1876	H11	SLES	1	18.1476	26.5096	34.0451	HAL2	1875	0	0	0	0.09	
-1877	H11	SLES	1	19.6046	25.4305	34.0637	HAL2	1875	0	0	0	0.09	
-1878	C12	SLES	1	17.7526	24.4669	34.7749	CTL3	1875	1879	1880	1881	-0.27	
-1879	H12	SLES	1	16.7641	24.6585	34.3142	HAL3	1878	0	0	0	0.09	
-1880	H12	SLES	1	18.2308	23.571	34.3331	HAL3	1878	0	0	0	0.09	
-1881	H12	SLES	1	17.5634	24.2297	35.8507	HAL3	1878	0	0	0	0.09	
-1882	NA	SLES	1	16.0421	47.1637	46.7639	NA	0	0	0	0	1	
-1883	S	SLES	1	14.3706	45.1287	48.2603	SL	1884	1885	1886	1887	1.33	
-1884	OS1	SLES	1	14.5047	44.5807	46.8998	OSL	1883	1888	0	0	-0.28	
-1885	OS2	SLES	1	13.7921	46.3485	47.7426	O2L	1883	0	0	0	-0.65	
-1886	OS3	SLES	1	15.8059	45.1528	48.4241	O2L	1883	0	0	0	-0.65	
-1887	OS4	SLES	1	13.5664	44.2009	49.0049	O2L	1883	0	0	0	-0.65	
-1888	C2	SLES	1	14.0118	43.3961	46.4151	CC32A	1884	1889	1890	1891	-0.11	
-1889	H2A	SLES	1	12.8927	43.37	46.4922	HCA2	1888	0	0	0	0.09	
-1890	H2B	SLES	1	14.4503	42.5233	46.9677	HCA2	1888	0	0	0	0.09	
-1891	C1	SLES	1	14.4773	43.4308	44.9434	CC32A	1888	1892	1893	1894	-0.01	
-1892	H1B	SLES	1	14.0589	44.3245	44.4117	HCA2	1891	0	0	0	0.09	
-1893	H1A	SLES	1	15.5926	43.4661	44.8796	HCA2	1891	0	0	0	0.09	
-1894	O1	SLES	1	14.146	42.3662	44.1121	OC30A	1891	1895	0	0	-0.34	
-1895	C2	SLES	1	13.3768	41.3106	44.6586	CC32A	1894	1896	1897	1898	-0.01	
-1896	H2A	SLES	1	12.3885	41.6992	45.0377	HCA2	1895	0	0	0	0.09	
-1897	H2B	SLES	1	13.9097	40.8176	45.5051	HCA2	1895	0	0	0	0.09	
-1898	C1	SLES	1	13.3124	40.7174	43.2043	CC32A	1895	1899	1900	1901	-0.01	
-1899	H1B	SLES	1	12.2179	40.8046	43.2103	HCA2	1898	0	0	0	0.09	
-1900	H1A	SLES	1	13.9205	39.8886	43.7195	HCA2	1898	0	0	0	0.09	
-1901	O1	SLES	1	13.3689	39.7857	42.1552	OC30A	1898	1902	0	0	-0.34	
-1902	C1	SLES	1	12.5484	38.6292	42.2408	CTL2	1901	1903	1904	1905	-0.18	
-1903	H11	SLES	1	11.473	38.806	42.523	HAL2	1902	0	0	0	0.09	
-1904	H12	SLES	1	12.9683	37.9075	42.9859	HAL2	1902	0	0	0	0.09	
-1905	C2	SLES	1	12.683	38.1274	40.8038	CTL2	1902	1906	1907	1908	-0.18	
-1906	H21	SLES	1	12.2169	38.8062	40.0497	HAL2	1905	0	0	0	0.09	
-1907	H22	SLES	1	13.7413	37.9272	40.5068	HAL2	1905	0	0	0	0.09	
-1908	C3	SLES	1	11.9443	36.8507	40.8297	CTL2	1905	1909	1910	1911	-0.18	
-1909	H31	SLES	1	10.8992	37.1286	41.1361	HAL2	1908	0	0	0	0.09	
-1910	H32	SLES	1	12.4658	36.2301	41.6099	HAL2	1908	0	0	0	0.09	
-1911	C4	SLES	1	11.8278	35.997	39.6088	CTL2	1908	1912	1913	1914	-0.18	
-1912	H41	SLES	1	11.3134	36.5414	38.7789	HAL2	1911	0	0	0	0.09	
-1913	H42	SLES	1	12.8299	35.6745	39.2405	HAL2	1911	0	0	0	0.09	
-1914	C5	SLES	1	10.9935	34.8627	40.2191	CTL2	1911	1915	1916	1917	-0.18	
-1915	H51	SLES	1	10.0316	35.2626	40.6371	HAL2	1914	0	0	0	0.09	
-1916	H52	SLES	1	11.5302	34.4059	41.0918	HAL2	1914	0	0	0	0.09	
-1917	C6	SLES	1	10.6273	33.7517	39.3332	CTL2	1914	1918	1919	1920	-0.18	
-1918	H61	SLES	1	9.50658	33.6769	39.3702	HAL2	1917	0	0	0	0.09	
-1919	H62	SLES	1	11.0094	32.8177	39.826	HAL2	1917	0	0	0	0.09	
-1920	C7	SLES	1	11.1147	33.8327	37.8815	CTL2	1917	1921	1922	1923	-0.18	
-1921	H71	SLES	1	10.703	34.6996	37.3126	HAL2	1920	0	0	0	0.09	
-1922	H72	SLES	1	12.2243	33.8295	37.7743	HAL2	1920	0	0	0	0.09	
-1923	C8	SLES	1	10.541	32.5608	37.3709	CTL2	1920	1924	1925	1926	-0.18	
-1924	H81	SLES	1	9.42846	32.6278	37.5317	HAL2	1923	0	0	0	0.09	
-1925	H82	SLES	1	10.9823	31.7394	38.0041	HAL2	1923	0	0	0	0.09	
-1926	C9	SLES	1	10.7422	32.1584	35.9516	CTL2	1923	1927	1928	1929	-0.18	
-1927	H91	SLES	1	10.3042	32.9214	35.2698	HAL2	1926	0	0	0	0.09	
-1928	H92	SLES	1	11.8283	32.0494	35.7332	HAL2	1926	0	0	0	0.09	
-1929	C10	SLES	1	9.98772	30.8306	35.9352	CTL2	1926	1930	1931	1932	-0.18	
-1930	H10	SLES	1	8.9177	30.9956	36.2354	HAL2	1929	0	0	0	0.09	
-1931	H10	SLES	1	10.4306	30.1304	36.6949	HAL2	1929	0	0	0	0.09	
-1932	C11	SLES	1	9.98206	30.1217	34.62	CTL2	1929	1933	1934	1935	-0.18	
-1933	H11	SLES	1	9.52232	30.8107	33.8736	HAL2	1932	0	0	0	0.09	
-1934	H11	SLES	1	11.0445	29.9407	34.3357	HAL2	1932	0	0	0	0.09	
-1935	C12	SLES	1	9.19418	28.8153	34.7524	CTL3	1932	1936	1937	1938	-0.27	
-1936	H12	SLES	1	8.3206	28.8284	34.0721	HAL3	1935	0	0	0	0.09	
-1937	H12	SLES	1	9.85308	27.9515	34.5377	HAL3	1935	0	0	0	0.09	
-1938	H12	SLES	1	8.79347	28.6621	35.7845	HAL3	1935	0	0	0	0.09	
-1939	NA	SLES	1	1.2519	49.6261	47.007	NA	0	0	0	0	1	
-1940	S	SLES	1	-0.48998	47.4348	48.1638	SL	1941	1942	1943	1944	1.33	
-1941	OS1	SLES	1	0.0356554	46.8758	46.9066	OSL	1940	1945	0	0	-0.28	
-1942	OS2	SLES	1	-1.06018	48.5605	47.4579	O2L	1940	0	0	0	-0.65	
-1943	OS3	SLES	1	0.848698	47.6413	48.6664	O2L	1940	0	0	0	-0.65	
-1944	OS4	SLES	1	-1.34	46.4319	48.7414	O2L	1940	0	0	0	-0.65	
-1945	C2	SLES	1	-0.183811	45.6279	46.3814	CC32A	1941	1946	1947	1948	-0.11	
-1946	H2A	SLES	1	-1.27696	45.4645	46.1884	HCA2	1945	0	0	0	0.09	
-1947	H2B	SLES	1	0.203164	44.8298	47.069	HCA2	1945	0	0	0	0.09	
-1948	C1	SLES	1	0.621073	45.6855	45.0652	CC32A	1945	1949	1950	1951	-0.01	
-1949	H1B	SLES	1	0.245908	46.5072	44.4016	HCA2	1948	0	0	0	0.09	
-1950	H1A	SLES	1	1.7063	45.8578	45.2696	HCA2	1948	0	0	0	0.09	
-1951	O1	SLES	1	0.6284	44.5686	44.2365	OC30A	1948	1952	0	0	-0.34	
-1952	C2	SLES	1	-0.124691	43.4385	44.6374	CC32A	1951	1953	1954	1955	-0.01	
-1953	H2A	SLES	1	-1.21367	43.71	44.7466	HCA2	1952	0	0	0	0.09	
-1954	H2B	SLES	1	0.23748	43.0359	45.6122	HCA2	1952	0	0	0	0.09	
-1955	C1	SLES	1	0.238069	42.8078	43.2441	CC32A	1952	1956	1957	1958	-0.01	
-1956	H1B	SLES	1	-0.827066	42.7582	42.982	HCA2	1955	0	0	0	0.09	
-1957	H1A	SLES	1	0.792486	42.0735	43.9338	HCA2	1955	0	0	0	0.09	
-1958	O1	SLES	1	0.656792	41.8658	42.2905	OC30A	1955	1959	0	0	-0.34	
-1959	C1	SLES	1	-0.0211082	40.6186	42.2378	CTL2	1958	1960	1961	1962	-0.18	
-1960	H11	SLES	1	-1.1458	40.6666	42.2433	HAL2	1959	0	0	0	0.09	
-1961	H12	SLES	1	0.28348	39.9725	43.0994	HAL2	1959	0	0	0	0.09	
-1962	C2	SLES	1	0.518503	40.1036	40.9042	CTL2	1959	1963	1964	1965	-0.18	
-1963	H21	SLES	1	0.176663	40.701	40.0251	HAL2	1962	0	0	0	0.09	
-1964	H22	SLES	1	1.63312	40.0297	40.8815	HAL2	1962	0	0	0	0.09	
-1965	C3	SLES	1	-0.0521241	38.7458	40.8197	CTL2	1962	1966	1967	1968	-0.18	
-1966	H31	SLES	1	-1.16526	38.8986	40.8505	HAL2	1965	0	0	0	0.09	
-1967	H32	SLES	1	0.329941	38.2136	41.7343	HAL2	1965	0	0	0	0.09	
-1968	C4	SLES	1	0.233177	37.8556	39.6538	CTL2	1965	1969	1970	1971	-0.18	
-1969	H41	SLES	1	-0.121143	38.312	38.6968	HAL2	1968	0	0	0	0.09	
-1970	H42	SLES	1	1.32523	37.6518	39.5551	HAL2	1968	0	0	0	0.09	
-1971	C5	SLES	1	-0.589096	36.641	40.1051	CTL2	1968	1972	1973	1974	-0.18	
-1972	H51	SLES	1	-1.66356	36.9278	40.2577	HAL2	1971	0	0	0	0.09	
-1973	H52	SLES	1	-0.233893	36.2753	41.1044	HAL2	1971	0	0	0	0.09	
-1974	C6	SLES	1	-0.596769	35.4724	39.2176	CTL2	1971	1975	1976	1977	-0.18	
-1975	H61	SLES	1	-1.67606	35.2596	38.9881	HAL2	1974	0	0	0	0.09	
-1976	H62	SLES	1	-0.242321	34.6051	39.837	HAL2	1974	0	0	0	0.09	
-1977	C7	SLES	1	0.219079	35.5791	37.9236	CTL2	1974	1978	1979	1980	-0.18	
-1978	H71	SLES	1	-0.137471	36.3743	37.2271	HAL2	1977	0	0	0	0.09	
-1979	H72	SLES	1	1.31388	35.7116	38.0867	HAL2	1977	0	0	0	0.09	
-1980	C8	SLES	1	-0.0617829	34.234	37.3585	CTL2	1977	1981	1982	1983	-0.18	
-1981	H81	SLES	1	-1.1799	34.1657	37.2432	HAL2	1980	0	0	0	0.09	
-1982	H82	SLES	1	0.302254	33.4891	38.1221	HAL2	1980	0	0	0	0.09	
-1983	C9	SLES	1	0.526095	33.8264	36.0527	CTL2	1980	1984	1985	1986	-0.18	
-1984	H91	SLES	1	0.183926	34.5125	35.246	HAL2	1983	0	0	0	0.09	
-1985	H92	SLES	1	1.63769	33.8483	36.1081	HAL2	1983	0	0	0	0.09	
-1986	C10	SLES	1	-0.0435056	32.415	35.9262	CTL2	1983	1987	1988	1989	-0.18	
-1987	H10	SLES	1	-1.1661	32.4525	35.951	HAL2	1986	0	0	0	0.09	
-1988	H10	SLES	1	0.277096	31.7935	36.8063	HAL2	1986	0	0	0	0.09	
-1989	C11	SLES	1	0.355008	31.68	34.6879	CTL2	1986	1990	1991	1992	-0.18	
-1990	H11	SLES	1	0.0162057	32.2885	33.8173	HAL2	1989	0	0	0	0.09	
-1991	H11	SLES	1	1.46831	31.626	34.6775	HAL2	1989	0	0	0	0.09	
-1992	C12	SLES	1	-0.285688	30.2892	34.6964	CTL3	1989	1993	1994	1995	-0.27	
-1993	H12	SLES	1	-0.961353	30.1773	33.8263	HAL3	1992	0	0	0	0.09	
-1994	H12	SLES	1	0.500563	29.5093	34.6927	HAL3	1992	0	0	0	0.09	
-1995	H12	SLES	1	-0.906853	30.1116	35.6085	HAL3	1992	0	0	0	0.09	
-1996	NA	SLES	1	-13.6318	47.4516	47.3778	NA	0	0	0	0	1	
-1997	S	SLES	1	-15.314	45.016	48.0201	SL	1998	1999	2000	2001	1.33	
-1998	OS1	SLES	1	-14.4361	44.5889	46.9173	OSL	1997	2002	0	0	-0.28	
-1999	OS2	SLES	1	-15.8333	46.1047	47.2227	O2L	1997	0	0	0	-0.65	
-2000	OS3	SLES	1	-14.1719	45.348	48.8402	O2L	1997	0	0	0	-0.65	
-2001	OS4	SLES	1	-16.1463	43.8928	48.3478	O2L	1997	0	0	0	-0.65	
-2002	C2	SLES	1	-14.3657	43.3539	46.3249	CC32A	1998	2003	2004	2005	-0.11	
-2003	H2A	SLES	1	-15.3512	43.0763	45.8661	HCA2	2002	0	0	0	0.09	
-2004	H2B	SLES	1	-14.0591	42.57	47.0674	HCA2	2002	0	0	0	0.09	
-2005	C1	SLES	1	-13.2815	43.5736	45.248	CC32A	2002	2006	2007	2008	-0.01	
-2006	H1B	SLES	1	-13.5854	44.381	44.5323	HCA2	2005	0	0	0	0.09	
-2007	H1A	SLES	1	-12.3075	43.8585	45.7162	HCA2	2005	0	0	0	0.09	
-2008	O1	SLES	1	-12.9362	42.5108	44.4202	OC30A	2005	2009	0	0	-0.34	
-2009	C2	SLES	1	-13.6168	41.2819	44.5974	CC32A	2008	2010	2011	2012	-0.01	
-2010	H2A	SLES	1	-14.7252	41.4201	44.4426	HCA2	2009	0	0	0	0.09	
-2011	H2B	SLES	1	-13.4525	40.8722	45.6215	HCA2	2009	0	0	0	0.09	
-2012	C1	SLES	1	-12.854	40.7722	43.321	CC32A	2009	2013	2014	2015	-0.01	
-2013	H1B	SLES	1	-13.8102	40.6144	42.8048	HCA2	2012	0	0	0	0.09	
-2014	H1A	SLES	1	-12.3948	40.0708	44.1081	HCA2	2012	0	0	0	0.09	
-2015	O1	SLES	1	-12.1044	39.9367	42.4772	OC30A	2012	2016	0	0	-0.34	
-2016	C1	SLES	1	-12.589	38.6244	42.2305	CTL2	2015	2017	2018	2019	-0.18	
-2017	H11	SLES	1	-13.679	38.5425	41.9612	HAL2	2016	0	0	0	0.09	
-2018	H12	SLES	1	-12.4225	37.9727	43.1249	HAL2	2016	0	0	0	0.09	
-2019	C2	SLES	1	-11.6847	38.2466	41.0581	CTL2	2016	2020	2021	2022	-0.18	
-2020	H21	SLES	1	-11.8768	38.8468	40.1364	HAL2	2019	0	0	0	0.09	
-2021	H22	SLES	1	-10.5971	38.3028	41.3076	HAL2	2019	0	0	0	0.09	
-2022	C3	SLES	1	-12.0447	36.8387	40.8041	CTL2	2019	2023	2024	2025	-0.18	
-2023	H31	SLES	1	-13.1427	36.8607	40.5647	HAL2	2022	0	0	0	0.09	
-2024	H32	SLES	1	-11.8306	36.306	41.7717	HAL2	2022	0	0	0	0.09	
-2025	C4	SLES	1	-11.3789	36.0506	39.7231	CTL2	2022	2026	2027	2028	-0.18	
-2026	H41	SLES	1	-11.5466	36.5136	38.7195	HAL2	2025	0	0	0	0.09	
-2027	H42	SLES	1	-10.2785	35.9793	39.8903	HAL2	2025	0	0	0	0.09	
-2028	C5	SLES	1	-12.1277	34.7272	39.9302	CTL2	2025	2029	2030	2031	-0.18	
-2029	H51	SLES	1	-13.2344	34.8801	39.8214	HAL2	2028	0	0	0	0.09	
-2030	H52	SLES	1	-11.9805	34.3521	40.9771	HAL2	2028	0	0	0	0.09	
-2031	C6	SLES	1	-11.7762	33.6144	39.0406	CTL2	2028	2032	2033	2034	-0.18	
-2032	H61	SLES	1	-12.7335	33.2914	38.5484	HAL2	2031	0	0	0	0.09	
-2033	H62	SLES	1	-11.4759	32.7619	39.7072	HAL2	2031	0	0	0	0.09	
-2034	C7	SLES	1	-10.6929	33.883	37.9889	CTL2	2031	2035	2036	2037	-0.18	
-2035	H71	SLES	1	-10.9677	34.6679	37.2452	HAL2	2034	0	0	0	0.09	
-2036	H72	SLES	1	-9.69476	34.1316	38.4185	HAL2	2034	0	0	0	0.09	
-2037	C8	SLES	1	-10.66	32.5466	37.3406	CTL2	2034	2038	2039	2040	-0.18	
-2038	H81	SLES	1	-11.7001	32.3564	36.9531	HAL2	2037	0	0	0	0.09	
-2039	H82	SLES	1	-10.4004	31.8089	38.1523	HAL2	2037	0	0	0	0.09	
-2040	C9	SLES	1	-9.72931	32.2794	36.2095	CTL2	2037	2041	2042	2043	-0.18	
-2041	H91	SLES	1	-9.95013	32.9637	35.36	HAL2	2040	0	0	0	0.09	
-2042	H92	SLES	1	-8.67528	32.426	36.5362	HAL2	2040	0	0	0	0.09	
-2043	C10	SLES	1	-10.0715	30.8206	35.9139	CTL2	2040	2044	2045	2046	-0.18	
-2044	H10	SLES	1	-11.1628	30.7274	35.6636	HAL2	2043	0	0	0	0.09	
-2045	H10	SLES	1	-9.8971	30.1942	36.8307	HAL2	2043	0	0	0	0.09	
-2046	C11	SLES	1	-9.29857	30.2034	34.794	CTL2	2043	2047	2048	2049	-0.18	
-2047	H11	SLES	1	-9.49112	30.8144	33.8816	HAL2	2046	0	0	0	0.09	
-2048	H11	SLES	1	-8.21763	30.2784	35.0556	HAL2	2046	0	0	0	0.09	
-2049	C12	SLES	1	-9.74421	28.7496	34.6123	CTL3	2046	2050	2051	2052	-0.27	
-2050	H12	SLES	1	-10.1715	28.6073	33.6007	HAL3	2049	0	0	0	0.09	
-2051	H12	SLES	1	-8.88936	28.0666	34.7831	HAL3	2049	0	0	0	0.09	
-2052	H12	SLES	1	-10.5394	28.4535	35.3399	HAL3	2049	0	0	0	0.09	
-2053	NA	SLES	1	-27.1926	40.7947	47.8399	NA	0	0	0	0	1	
-2054	S	SLES	1	-28.6356	38.1316	47.8432	SL	2055	2056	2057	2058	1.33	
-2055	OS1	SLES	1	-27.4951	37.9424	46.9307	OSL	2054	2059	0	0	-0.28	
-2056	OS2	SLES	1	-29.1132	39.2494	47.0601	O2L	2054	0	0	0	-0.65	
-2057	OS3	SLES	1	-27.7478	38.4791	48.9287	O2L	2054	0	0	0	-0.65	
-2058	OS4	SLES	1	-29.3626	36.8935	47.8626	O2L	2054	0	0	0	-0.65	
-2059	C2	SLES	1	-27.138	36.8058	46.2512	CC32A	2055	2060	2061	2062	-0.11	
-2060	H2A	SLES	1	-27.9581	36.4836	45.5566	HCA2	2059	0	0	0	0.09	
-2061	H2B	SLES	1	-26.8951	35.9727	46.963	HCA2	2059	0	0	0	0.09	
-2062	C1	SLES	1	-25.8887	37.2734	45.4739	CC32A	2059	2063	2064	2065	-0.01	
-2063	H1B	SLES	1	-26.1378	38.1266	44.7909	HCA2	2062	0	0	0	0.09	
-2064	H1A	SLES	1	-25.0827	37.6004	46.1757	HCA2	2062	0	0	0	0.09	
-2065	O1	SLES	1	-25.2382	36.3656	44.6452	OC30A	2062	2066	0	0	-0.34	
-2066	C2	SLES	1	-25.7723	35.0583	44.5425	CC32A	2065	2067	2068	2069	-0.01	
-2067	H2A	SLES	1	-26.8309	35.0951	44.1557	HCA2	2066	0	0	0	0.09	
-2068	H2B	SLES	1	-25.7764	34.5439	45.5319	HCA2	2066	0	0	0	0.09	
-2069	C1	SLES	1	-24.6955	34.7969	43.4276	CC32A	2066	2070	2071	2072	-0.01	
-2070	H1B	SLES	1	-25.4909	34.6033	42.6958	HCA2	2069	0	0	0	0.09	
-2071	H1A	SLES	1	-24.3252	34.056	44.2253	HCA2	2069	0	0	0	0.09	
-2072	O1	SLES	1	-23.6801	34.1587	42.6971	OC30A	2069	2073	0	0	-0.34	
-2073	C1	SLES	1	-23.9235	32.8432	42.2195	CTL2	2072	2074	2075	2076	-0.18	
-2074	H11	SLES	1	-24.9109	32.6791	41.7043	HAL2	2073	0	0	0	0.09	
-2075	H12	SLES	1	-23.866	32.1064	43.06	HAL2	2073	0	0	0	0.09	
-2076	C2	SLES	1	-22.7492	32.7141	41.2504	CTL2	2073	2077	2078	2079	-0.18	
-2077	H21	SLES	1	-22.8189	33.4007	40.3726	HAL2	2076	0	0	0	0.09	
-2078	H22	SLES	1	-21.7565	32.855	41.7434	HAL2	2076	0	0	0	0.09	
-2079	C3	SLES	1	-22.8577	31.3186	40.7847	CTL2	2076	2080	2081	2082	-0.18	
-2080	H31	SLES	1	-23.8729	31.2523	40.3068	HAL2	2079	0	0	0	0.09	
-2081	H32	SLES	1	-22.7853	30.6952	41.7184	HAL2	2079	0	0	0	0.09	
-2082	C4	SLES	1	-21.8794	30.7478	39.8099	CTL2	2079	2083	2084	2085	-0.18	
-2083	H41	SLES	1	-21.89	31.3118	38.8448	HAL2	2082	0	0	0	0.09	
-2084	H42	SLES	1	-20.84	30.7746	40.2135	HAL2	2082	0	0	0	0.09	
-2085	C5	SLES	1	-22.4734	29.3362	39.7115	CTL2	2082	2086	2087	2088	-0.18	
-2086	H51	SLES	1	-23.5421	29.3819	39.3711	HAL2	2085	0	0	0	0.09	
-2087	H52	SLES	1	-22.5036	28.8512	40.7225	HAL2	2085	0	0	0	0.09	
-2088	C6	SLES	1	-21.7972	28.3875	38.8193	CTL2	2085	2089	2090	2091	-0.18	
-2089	H61	SLES	1	-22.5769	28.0278	38.0944	HAL2	2088	0	0	0	0.09	
-2090	H62	SLES	1	-21.5352	27.4956	39.4495	HAL2	2088	0	0	0	0.09	
-2091	C7	SLES	1	-20.5607	28.9001	38.0711	CTL2	2088	2092	2093	2094	-0.18	
-2092	H71	SLES	1	-20.7726	29.7378	37.3654	HAL2	2091	0	0	0	0.09	
-2093	H72	SLES	1	-19.7182	29.1987	38.7373	HAL2	2091	0	0	0	0.09	
-2094	C8	SLES	1	-20.2144	27.6665	37.3189	CTL2	2091	2095	2096	2097	-0.18	
-2095	H81	SLES	1	-21.1142	27.4158	36.6898	HAL2	2094	0	0	0	0.09	
-2096	H82	SLES	1	-20.0379	26.8653	38.0918	HAL2	2094	0	0	0	0.09	
-2097	C9	SLES	1	-19.038	27.6442	36.4066	CTL2	2094	2098	2099	2100	-0.18	
-2098	H91	SLES	1	-19.1619	28.4016	35.6006	HAL2	2097	0	0	0	0.09	
-2099	H92	SLES	1	-18.1061	27.861	36.9757	HAL2	2097	0	0	0	0.09	
-2100	C10	SLES	1	-19.1137	26.2055	35.8995	CTL2	2097	2101	2102	2103	-0.18	
-2101	H10	SLES	1	-20.1049	26.0278	35.4013	HAL2	2100	0	0	0	0.09	
-2102	H10	SLES	1	-19.0566	25.4917	36.7659	HAL2	2100	0	0	0	0.09	
-2103	C11	SLES	1	-18.046	25.8196	34.9281	CTL2	2100	2104	2105	2106	-0.18	
-2104	H11	SLES	1	-18.1196	26.5157	34.0602	HAL2	2103	0	0	0	0.09	
-2105	H11	SLES	1	-17.0649	25.9768	35.4331	HAL2	2103	0	0	0	0.09	
-2106	C12	SLES	1	-18.2468	24.3606	34.5085	CTL3	2103	2107	2108	2109	-0.27	
-2107	H12	SLES	1	-18.427	24.3008	33.4176	HAL3	2106	0	0	0	0.09	
-2108	H12	SLES	1	-17.365	23.7573	34.8	HAL3	2106	0	0	0	0.09	
-2109	H12	SLES	1	-19.132	23.8923	35.005	HAL3	2106	0	0	0	0.09	
-2110	NA	SLES	1	-38.1014	30.236	48.3482	NA	0	0	0	0	1	
-2111	S	SLES	1	-39.1523	27.4823	47.6506	SL	2112	2113	2114	2115	1.33	
-2112	OS1	SLES	1	-37.8632	27.5846	46.9457	OSL	2111	2116	0	0	-0.28	
-2113	OS2	SLES	1	-39.6422	28.6692	46.986	O2L	2111	0	0	0	-0.65	
-2114	OS3	SLES	1	-38.5087	27.7143	48.9231	O2L	2111	0	0	0	-0.65	
-2115	OS4	SLES	1	-39.6986	26.1928	47.3332	O2L	2111	0	0	0	-0.65	
-2116	C2	SLES	1	-37.2496	26.6364	46.1675	CC32A	2112	2117	2118	2119	-0.11	
-2117	H2A	SLES	1	-37.8942	26.3642	45.2904	HCA2	2116	0	0	0	0.09	
-2118	H2B	SLES	1	-37.0158	25.7164	46.7661	HCA2	2116	0	0	0	0.09	
-2119	C1	SLES	1	-35.9651	27.3672	45.7208	CC32A	2116	2120	2121	2122	-0.01	
-2120	H1B	SLES	1	-36.2123	28.301	45.1522	HCA2	2119	0	0	0	0.09	
-2121	H1A	SLES	1	-35.336	27.6414	46.6031	HCA2	2119	0	0	0	0.09	
-2122	O1	SLES	1	-35.0713	26.7007	44.8895	OC30A	2119	2123	0	0	-0.34	
-2123	C2	SLES	1	-35.3999	25.3863	44.478	CC32A	2122	2124	2125	2126	-0.01	
-2124	H2A	SLES	1	-36.3763	25.3831	43.9139	HCA2	2123	0	0	0	0.09	
-2125	H2B	SLES	1	-35.4959	24.7006	45.3522	HCA2	2123	0	0	0	0.09	
-2126	C1	SLES	1	-34.1302	25.4489	43.5534	CC32A	2123	2127	2128	2129	-0.01	
-2127	H1B	SLES	1	-34.7619	25.3116	42.6659	HCA2	2126	0	0	0	0.09	
-2128	H1A	SLES	1	-33.7984	24.6163	44.2739	HCA2	2126	0	0	0	0.09	
-2129	O1	SLES	1	-32.9324	25.0659	42.9285	OC30A	2126	2130	0	0	-0.34	
-2130	C1	SLES	1	-32.9145	23.8429	42.2061	CTL2	2129	2131	2132	2133	-0.18	
-2131	H11	SLES	1	-33.7732	23.6745	41.4978	HAL2	2130	0	0	0	0.09	
-2132	H12	SLES	1	-32.896	22.9738	42.911	HAL2	2130	0	0	0	0.09	
-2133	C2	SLES	1	-31.5913	24.018	41.4623	CTL2	2130	2134	2135	2136	-0.18	
-2134	H21	SLES	1	-31.6089	24.8436	40.7108	HAL2	2133	0	0	0	0.09	
-2135	H22	SLES	1	-30.7206	24.1684	42.1462	HAL2	2133	0	0	0	0.09	
-2136	C3	SLES	1	-31.4327	22.7287	40.7631	CTL2	2133	2137	2138	2139	-0.18	
-2137	H31	SLES	1	-32.3379	22.6462	40.1019	HAL2	2136	0	0	0	0.09	
-2138	H32	SLES	1	-31.4301	21.9548	41.5797	HAL2	2136	0	0	0	0.09	
-2139	C4	SLES	1	-30.2404	22.4527	39.9057	CTL2	2136	2140	2141	2142	-0.18	
-2140	H41	SLES	1	-30.1695	23.1809	39.0604	HAL2	2139	0	0	0	0.09	
-2141	H42	SLES	1	-29.2941	22.5129	40.4929	HAL2	2139	0	0	0	0.09	
-2142	C5	SLES	1	-30.6141	21.0294	39.4703	CTL2	2139	2143	2144	2145	-0.18	
-2143	H51	SLES	1	-31.6091	21.0253	38.9507	HAL2	2142	0	0	0	0.09	
-2144	H52	SLES	1	-30.743	20.3658	40.3655	HAL2	2142	0	0	0	0.09	
-2145	C6	SLES	1	-29.6794	20.3374	38.5755	CTL2	2142	2146	2147	2148	-0.18	
-2146	H61	SLES	1	-30.2744	20.0382	37.6704	HAL2	2145	0	0	0	0.09	
-2147	H62	SLES	1	-29.4057	19.3768	39.089	HAL2	2145	0	0	0	0.09	
-2148	C7	SLES	1	-28.4181	21.1054	38.1621	CTL2	2145	2149	2150	2151	-0.18	
-2149	H71	SLES	1	-28.6232	22.0321	37.5757	HAL2	2148	0	0	0	0.09	
-2150	H72	SLES	1	-27.7438	21.3622	39.0119	HAL2	2148	0	0	0	0.09	
-2151	C8	SLES	1	-27.7902	20.0746	37.2955	CTL2	2148	2152	2153	2154	-0.18	
-2152	H81	SLES	1	-28.5329	19.8518	36.4789	HAL2	2151	0	0	0	0.09	
-2153	H82	SLES	1	-27.6355	19.1675	37.9464	HAL2	2151	0	0	0	0.09	
-2154	C9	SLES	1	-26.4885	20.3438	36.6247	CTL2	2151	2155	2156	2157	-0.18	
-2155	H91	SLES	1	-26.5805	21.2197	35.9443	HAL2	2154	0	0	0	0.09	
-2156	H92	SLES	1	-25.7001	20.548	37.3835	HAL2	2154	0	0	0	0.09	
-2157	C10	SLES	1	-26.2853	19.0235	35.8844	CTL2	2154	2158	2159	2160	-0.18	
-2158	H10	SLES	1	-27.1487	18.8383	35.1898	HAL2	2157	0	0	0	0.09	
-2159	H10	SLES	1	-26.2745	18.1721	36.6182	HAL2	2157	0	0	0	0.09	
-2160	C11	SLES	1	-25.0312	18.9369	35.0768	CTL2	2157	2161	2162	2163	-0.18	
-2161	H11	SLES	1	-25.0555	19.7695	34.3358	HAL2	2160	0	0	0	0.09	
-2162	H11	SLES	1	-24.176	19.0998	35.773	HAL2	2160	0	0	0	0.09	
-2163	C12	SLES	1	-24.9617	17.5675	34.395	CTL3	2160	2164	2165	2166	-0.27	
-2164	H12	SLES	1	-24.9517	17.6915	33.2947	HAL3	2163	0	0	0	0.09	
-2165	H12	SLES	1	-24.0661	17.0161	34.7417	HAL3	2163	0	0	0	0.09	
-2166	H12	SLES	1	-25.8446	16.9259	34.6365	HAL3	2163	0	0	0	0.09	
-2167	NA	SLES	1	-45.2474	16.7527	48.8529	NA	0	0	0	0	1	
-2168	S	SLES	1	-45.8514	14.1312	47.461	SL	2169	2170	2171	2172	1.33	
-2169	OS1	SLES	1	-44.5241	14.5279	46.9607	OSL	2168	2173	0	0	-0.28	
-2170	OS2	SLES	1	-46.4262	15.3781	47.0076	O2L	2168	0	0	0	-0.65	
-2171	OS3	SLES	1	-45.3723	14.1375	48.824	O2L	2168	0	0	0	-0.65	
-2172	OS4	SLES	1	-46.1885	12.8958	46.8114	O2L	2168	0	0	0	-0.65	
-2173	C2	SLES	1	-43.7171	13.8514	46.0818	CC32A	2169	2174	2175	2176	-0.11	
-2174	H2A	SLES	1	-44.2308	13.7167	45.0934	HCA2	2173	0	0	0	0.09	
-2175	H2B	SLES	1	-43.4237	12.8504	46.496	HCA2	2173	0	0	0	0.09	
-2176	C1	SLES	1	-42.5028	14.7976	45.9646	CC32A	2173	2177	2178	2179	-0.01	
-2177	H1B	SLES	1	-42.8143	15.8036	45.5808	HCA2	2176	0	0	0	0.09	
-2178	H1A	SLES	1	-42.0053	14.9313	46.9565	HCA2	2176	0	0	0	0.09	
-2179	O1	SLES	1	-41.4515	14.4359	45.1291	OC30A	2176	2180	0	0	-0.34	
-2180	C2	SLES	1	-41.5615	13.221	44.4103	CC32A	2179	2181	2182	2183	-0.01	
-2181	H2A	SLES	1	-42.4686	13.2405	43.7409	HCA2	2180	0	0	0	0.09	
-2182	H2B	SLES	1	-41.6513	12.3494	45.1001	HCA2	2180	0	0	0	0.09	
-2183	C1	SLES	1	-40.2266	13.6266	43.6862	CC32A	2180	2184	2185	2186	-0.01	
-2184	H1B	SLES	1	-40.7443	13.6264	42.7179	HCA2	2183	0	0	0	0.09	
-2185	H1A	SLES	1	-39.8599	12.6933	44.2492	HCA2	2183	0	0	0	0.09	
-2186	O1	SLES	1	-38.9331	13.5254	43.1489	OC30A	2183	2187	0	0	-0.34	
-2187	C1	SLES	1	-38.6828	12.5063	42.1914	CTL2	2186	2188	2189	2190	-0.18	
-2188	H11	SLES	1	-39.4379	12.4112	41.3619	HAL2	2187	0	0	0	0.09	
-2189	H12	SLES	1	-38.6188	11.5077	42.6925	HAL2	2187	0	0	0	0.09	
-2190	C2	SLES	1	-37.3277	12.9859	41.6731	CTL2	2187	2191	2192	2193	-0.18	
-2191	H21	SLES	1	-37.3804	13.9531	41.1178	HAL2	2190	0	0	0	0.09	
-2192	H22	SLES	1	-36.556	13.0704	42.4766	HAL2	2190	0	0	0	0.09	
-2193	C3	SLES	1	-36.9321	11.9125	40.7416	CTL2	2190	2194	2195	2196	-0.18	
-2194	H31	SLES	1	-37.7491	11.8848	39.9702	HAL2	2193	0	0	0	0.09	
-2195	H32	SLES	1	-36.9074	10.979	41.3691	HAL2	2193	0	0	0	0.09	
-2196	C4	SLES	1	-35.6353	11.9668	40.001	CTL2	2193	2197	2198	2199	-0.18	
-2197	H41	SLES	1	-35.5786	12.8704	39.3452	HAL2	2196	0	0	0	0.09	
-2198	H42	SLES	1	-34.7676	11.994	40.7012	HAL2	2196	0	0	0	0.09	
-2199	C5	SLES	1	-35.773	10.6469	39.2303	CTL2	2196	2200	2201	2202	-0.18	
-2200	H51	SLES	1	-36.7029	10.6535	38.6015	HAL2	2199	0	0	0	0.09	
-2201	H52	SLES	1	-35.9004	9.78835	39.9409	HAL2	2199	0	0	0	0.09	
-2202	C6	SLES	1	-34.6717	10.2793	38.333	CTL2	2199	2203	2204	2205	-0.18	
-2203	H61	SLES	1	-35.1301	10.1301	37.3179	HAL2	2202	0	0	0	0.09	
-2204	H62	SLES	1	-34.3252	9.26258	38.661	HAL2	2202	0	0	0	0.09	
-2205	C7	SLES	1	-33.4885	11.2515	38.253	CTL2	2202	2206	2207	2208	-0.18	
-2206	H71	SLES	1	-33.7558	12.2592	37.8557	HAL2	2205	0	0	0	0.09	
-2207	H72	SLES	1	-32.9409	11.3806	39.2154	HAL2	2205	0	0	0	0.09	
-2208	C8	SLES	1	-32.6478	10.5166	37.2728	CTL2	2205	2209	2210	2211	-0.18	
-2209	H81	SLES	1	-33.2707	10.4056	36.3413	HAL2	2208	0	0	0	0.09	
-2210	H82	SLES	1	-32.4393	9.50785	37.7304	HAL2	2208	0	0	0	0.09	
-2211	C9	SLES	1	-31.3336	11.0684	36.8425	CTL2	2208	2212	2213	2214	-0.18	
-2212	H91	SLES	1	-31.4733	12.0603	36.3574	HAL2	2211	0	0	0	0.09	
-2213	H92	SLES	1	-30.6575	11.1793	37.7198	HAL2	2211	0	0	0	0.09	
-2214	C10	SLES	1	-30.8859	9.97899	35.8702	CTL2	2211	2215	2216	2217	-0.18	
-2215	H10	SLES	1	-31.6448	9.86394	35.0497	HAL2	2214	0	0	0	0.09	
-2216	H10	SLES	1	-30.8348	8.99005	36.402	HAL2	2214	0	0	0	0.09	
-2217	C11	SLES	1	-29.5582	10.2121	35.2258	CTL2	2214	2218	2219	2220	-0.18	
-2218	H11	SLES	1	-29.6194	11.1831	34.6813	HAL2	2217	0	0	0	0.09	
-2219	H11	SLES	1	-28.8046	10.3043	36.0419	HAL2	2217	0	0	0	0.09	
-2220	C12	SLES	1	-29.2416	9.04765	34.2831	CTL3	2217	2221	2222	2223	-0.27	
-2221	H12	SLES	1	-29.14	9.41726	33.2442	HAL3	2220	0	0	0	0.09	
-2222	H12	SLES	1	-28.3193	8.53157	34.614	HAL3	2220	0	0	0	0.09	
-2223	H12	SLES	1	-30.0513	8.27715	34.2706	HAL3	2220	0	0	0	0.09	
-2224	NA	SLES	1	-47.8631	1.64418	49.3046	NA	0	0	0	0	1	
-2225	S	SLES	1	-48.1029	-0.607557	47.2931	SL	2226	2227	2228	2229	1.33	
-2226	OS1	SLES	1	-46.8239	0.0495181	46.9742	OSL	2225	2230	0	0	-0.28	
-2227	OS2	SLES	1	-48.8176	0.637759	47.1228	O2L	2225	0	0	0	-0.65	
-2228	OS3	SLES	1	-47.6607	-0.880562	48.6411	O2L	2225	0	0	0	-0.65	
-2229	OS4	SLES	1	-48.2682	-1.67631	46.3484	O2L	2225	0	0	0	-0.65	
-2230	C2	SLES	1	-45.9184	-0.293442	46.0028	CC32A	2226	2231	2232	2233	-0.11	
-2231	H2A	SLES	1	-46.3878	-0.239842	44.9851	HCA2	2230	0	0	0	0.09	
-2232	H2B	SLES	1	-45.5126	-1.32482	46.1791	HCA2	2230	0	0	0	0.09	
-2233	C1	SLES	1	-44.829	0.785828	46.1813	CC32A	2230	2234	2235	2236	-0.01	
-2234	H1B	SLES	1	-45.2542	1.81251	46.0347	HCA2	2233	0	0	0	0.09	
-2235	H1A	SLES	1	-44.3756	0.728524	47.2013	HCA2	2233	0	0	0	0.09	
-2236	O1	SLES	1	-43.7214	0.763312	45.3407	OC30A	2233	2237	0	0	-0.34	
-2237	C2	SLES	1	-43.6622	-0.242648	44.346	CC32A	2236	2238	2239	2240	-0.01	
-2238	H2A	SLES	1	-44.5486	-0.164001	43.6536	HCA2	2237	0	0	0	0.09	
-2239	H2B	SLES	1	-43.6591	-1.26114	44.8001	HCA2	2237	0	0	0	0.09	
-2240	C1	SLES	1	-42.3714	0.478817	43.8128	CC32A	2237	2241	2242	2243	-0.01	
-2241	H1B	SLES	1	-42.862	0.65649	42.8467	HCA2	2240	0	0	0	0.09	
-2242	H1A	SLES	1	-41.9049	-0.515444	44.1536	HCA2	2240	0	0	0	0.09	
-2243	O1	SLES	1	-41.0631	0.661847	43.3367	OC30A	2240	2244	0	0	-0.34	
-2244	C1	SLES	1	-40.6653	-0.0556061	42.1769	CTL2	2243	2245	2246	2247	-0.18	
-2245	H11	SLES	1	-41.3828	-0.0306716	41.3099	HAL2	2244	0	0	0	0.09	
-2246	H12	SLES	1	-40.4893	-1.13244	42.4259	HAL2	2244	0	0	0	0.09	
-2247	C2	SLES	1	-39.3685	0.688909	41.8621	CTL2	2244	2248	2249	2250	-0.18	
-2248	H21	SLES	1	-39.5281	1.75006	41.5537	HAL2	2247	0	0	0	0.09	
-2249	H22	SLES	1	-38.6326	0.661981	42.7023	HAL2	2247	0	0	0	0.09	
-2250	C3	SLES	1	-38.8205	-0.0705721	40.7223	CTL2	2247	2251	2252	2253	-0.18	
-2251	H31	SLES	1	-39.6092	-0.00200562	39.9244	HAL2	2250	0	0	0	0.09	
-2252	H32	SLES	1	-38.6946	-1.1202	41.1073	HAL2	2250	0	0	0	0.09	
-2253	C4	SLES	1	-37.5235	0.312422	40.0867	CTL2	2250	2254	2255	2256	-0.18	
-2254	H41	SLES	1	-37.5642	1.34952	39.6713	HAL2	2253	0	0	0	0.09	
-2255	H42	SLES	1	-36.6827	0.266707	40.818	HAL2	2253	0	0	0	0.09	
-2256	C5	SLES	1	-37.4775	-0.785032	39.015	CTL2	2253	2257	2258	2259	-0.18	
-2257	H51	SLES	1	-38.3858	-0.731426	38.3576	HAL2	2256	0	0	0	0.09	
-2258	H52	SLES	1	-37.5137	-1.8004	39.4905	HAL2	2256	0	0	0	0.09	
-2259	C6	SLES	1	-36.318	-0.792326	38.1156	CTL2	2256	2260	2261	2262	-0.18	
-2260	H61	SLES	1	-36.7302	-0.739757	37.0715	HAL2	2259	0	0	0	0.09	
-2261	H62	SLES	1	-35.8555	-1.81162	38.2075	HAL2	2259	0	0	0	0.09	
-2262	C7	SLES	1	-35.2636	0.29928	38.3348	CTL2	2259	2263	2264	2265	-0.18	
-2263	H71	SLES	1	-35.6447	1.33595	38.1779	HAL2	2262	0	0	0	0.09	
-2264	H72	SLES	1	-34.7592	0.250531	39.3278	HAL2	2262	0	0	0	0.09	
-2265	C8	SLES	1	-34.315	-0.0712677	37.253	CTL2	2262	2266	2267	2268	-0.18	
-2266	H81	SLES	1	-34.897	-0.0213796	36.2902	HAL2	2265	0	0	0	0.09	
-2267	H82	SLES	1	-33.9934	-1.13052	37.465	HAL2	2265	0	0	0	0.09	
-2268	C9	SLES	1	-33.0699	0.716524	37.0386	CTL2	2265	2269	2270	2271	-0.18	
-2269	H91	SLES	1	-33.3205	1.77424	36.7995	HAL2	2268	0	0	0	0.09	
-2270	H92	SLES	1	-32.4338	0.685989	37.9516	HAL2	2268	0	0	0	0.09	
-2271	C10	SLES	1	-32.4672	-0.0423176	35.8581	CTL2	2268	2272	2273	2274	-0.18	
-2272	H10	SLES	1	-33.1862	-0.0391775	34.9948	HAL2	2271	0	0	0	0.09	
-2273	H10	SLES	1	-32.3059	-1.11881	36.1385	HAL2	2271	0	0	0	0.09	
-2274	C11	SLES	1	-31.1639	0.492708	35.3604	CTL2	2271	2275	2276	2277	-0.18	
-2275	H11	SLES	1	-31.3327	1.55386	35.0629	HAL2	2274	0	0	0	0.09	
-2276	H11	SLES	1	-30.4472	0.468091	36.2137	HAL2	2274	0	0	0	0.09	
-2277	C12	SLES	1	-30.6827	-0.360704	34.1835	CTL3	2274	2278	2279	2280	-0.27	
-2278	H12	SLES	1	-30.6033	0.261463	33.271	HAL3	2277	0	0	0	0.09	
-2279	H12	SLES	1	-29.7114	-0.832578	34.4293	HAL3	2277	0	0	0	0.09	
-2280	H12	SLES	1	-31.3896	-1.19245	33.943	HAL3	2277	0	0	0	0.09	
-2281	NA	SLES	1	-45.6255	-13.5872	49.6591	NA	0	0	0	0	1	
-2282	S	SLES	1	-45.7116	-15.301	47.1631	SL	2283	2284	2285	2286	1.33	
-2283	OS1	SLES	1	-44.5355	-14.4325	46.9849	OSL	2282	2287	0	0	-0.28	
-2284	OS2	SLES	1	-46.5729	-14.1502	47.3203	O2L	2282	0	0	0	-0.65	
-2285	OS3	SLES	1	-45.1698	-15.8329	48.3923	O2L	2282	0	0	0	-0.65	
-2286	OS4	SLES	1	-45.803	-16.1232	45.9895	O2L	2282	0	0	0	-0.65	
-2287	C2	SLES	1	-43.6496	-14.4163	45.938	CC32A	2283	2288	2289	2290	-0.11	
-2288	H2A	SLES	1	-44.1756	-14.1785	44.9758	HCA2	2287	0	0	0	0.09	
-2289	H2B	SLES	1	-43.1191	-15.4011	45.8464	HCA2	2287	0	0	0	0.09	
-2290	C1	SLES	1	-42.6836	-13.2847	46.3499	CC32A	2287	2291	2292	2293	-0.01	
-2291	H1B	SLES	1	-43.2312	-12.314	46.4695	HCA2	2290	0	0	0	0.09	
-2292	H1A	SLES	1	-42.1729	-13.5287	47.3137	HCA2	2290	0	0	0	0.09	
-2293	O1	SLES	1	-41.627	-12.9663	45.5034	OC30A	2290	2294	0	0	-0.34	
-2294	C2	SLES	1	-41.5057	-13.6881	44.2913	CC32A	2293	2295	2296	2297	-0.01	
-2295	H2A	SLES	1	-42.4309	-13.5563	43.6605	HCA2	2294	0	0	0	0.09	
-2296	H2B	SLES	1	-41.3613	-14.7774	44.4817	HCA2	2294	0	0	0	0.09	
-2297	C1	SLES	1	-40.3367	-12.7047	43.9209	CC32A	2294	2298	2299	2300	-0.01	
-2298	H1B	SLES	1	-40.8952	-12.3624	43.0398	HCA2	2297	0	0	0	0.09	
-2299	H1A	SLES	1	-39.7414	-13.6857	43.9965	HCA2	2297	0	0	0	0.09	
-2300	O1	SLES	1	-39.0853	-12.2511	43.4734	OC30A	2297	2301	0	0	-0.34	
-2301	C1	SLES	1	-38.67	-12.6134	42.1641	CTL2	2300	2302	2303	2304	-0.18	
-2302	H11	SLES	1	-39.4308	-12.4702	41.3469	HAL2	2301	0	0	0	0.09	
-2303	H12	SLES	1	-38.3584	-13.6879	42.1372	HAL2	2301	0	0	0	0.09	
-2304	C2	SLES	1	-37.4861	-11.6595	42.0109	CTL2	2301	2305	2306	2307	-0.18	
-2305	H21	SLES	1	-37.7828	-10.5837	41.9758	HAL2	2304	0	0	0	0.09	
-2306	H22	SLES	1	-36.7082	-11.7959	42.8012	HAL2	2304	0	0	0	0.09	
-2307	C3	SLES	1	-36.9159	-12.0483	40.707	CTL2	2304	2308	2309	2310	-0.18	
-2308	H31	SLES	1	-37.7486	-11.8887	39.9692	HAL2	2307	0	0	0	0.09	
-2309	H32	SLES	1	-36.6498	-13.1357	40.8199	HAL2	2307	0	0	0	0.09	
-2310	C4	SLES	1	-35.7072	-11.3653	40.1542	CTL2	2307	2311	2312	2313	-0.18	
-2311	H41	SLES	1	-35.889	-10.2722	40.0069	HAL2	2310	0	0	0	0.09	
-2312	H42	SLES	1	-34.829	-11.4805	40.832	HAL2	2310	0	0	0	0.09	
-2313	C5	SLES	1	-35.5925	-12.1583	38.8454	CTL2	2310	2314	2315	2316	-0.18	
-2314	H51	SLES	1	-36.5347	-12.0617	38.2429	HAL2	2313	0	0	0	0.09	
-2315	H52	SLES	1	-35.4864	-13.2546	39.0582	HAL2	2313	0	0	0	0.09	
-2316	C6	SLES	1	-34.4895	-11.8047	37.9445	CTL2	2313	2317	2318	2319	-0.18	
-2317	H61	SLES	1	-34.96	-11.5544	36.9552	HAL2	2316	0	0	0	0.09	
-2318	H62	SLES	1	-33.9086	-12.7505	37.7727	HAL2	2316	0	0	0	0.09	
-2319	C7	SLES	1	-33.5573	-10.6753	38.3997	CTL2	2316	2320	2321	2322	-0.18	
-2320	H71	SLES	1	-34.063	-9.68712	38.5107	HAL2	2319	0	0	0	0.09	
-2321	H72	SLES	1	-32.9986	-10.8983	39.3382	HAL2	2319	0	0	0	0.09	
-2322	C8	SLES	1	-32.6315	-10.6538	37.2379	CTL2	2319	2323	2324	2325	-0.18	
-2323	H81	SLES	1	-33.2658	-10.4467	36.3308	HAL2	2322	0	0	0	0.09	
-2324	H82	SLES	1	-32.1793	-11.6844	37.1761	HAL2	2322	0	0	0	0.09	
-2325	C9	SLES	1	-31.4984	-9.68887	37.1938	CTL2	2322	2326	2327	2328	-0.18	
-2326	H91	SLES	1	-31.8813	-8.64438	37.2274	HAL2	2325	0	0	0	0.09	
-2327	H92	SLES	1	-30.8152	-9.85861	38.0562	HAL2	2325	0	0	0	0.09	
-2328	C10	SLES	1	-30.8762	-10.0605	35.8494	CTL2	2325	2329	2330	2331	-0.18	
-2329	H10	SLES	1	-31.6358	-9.93937	35.0305	HAL2	2328	0	0	0	0.09	
-2330	H10	SLES	1	-30.5775	-11.1441	35.8534	HAL2	2328	0	0	0	0.09	
-2331	C11	SLES	1	-29.6715	-9.26348	35.4674	CTL2	2328	2332	2333	2334	-0.18	
-2332	H11	SLES	1	-29.9768	-8.19145	35.4432	HAL2	2331	0	0	0	0.09	
-2333	H11	SLES	1	-28.9122	-9.40314	36.2715	HAL2	2331	0	0	0	0.09	
-2334	C12	SLES	1	-29.1587	-9.7421	34.1062	CTL3	2331	2335	2336	2337	-0.27	
-2335	H12	SLES	1	-29.2001	-8.91387	33.3724	HAL3	2334	0	0	0	0.09	
-2336	H12	SLES	1	-28.1279	-10.1345	34.2057	HAL3	2334	0	0	0	0.09	
-2337	H12	SLES	1	-29.7771	-10.573	33.6859	HAL3	2334	0	0	0	0.09	
-2338	NA	SLES	1	-38.7132	-27.3921	49.8817	NA	0	0	0	0	1	
-2339	S	SLES	1	-38.9262	-28.5331	47.084	SL	2340	2341	2342	2343	1.33	
-2340	OS1	SLES	1	-37.8816	-27.499	46.9919	OSL	2339	2344	0	0	-0.28	
-2341	OS2	SLES	1	-39.8795	-27.5661	47.5808	O2L	2339	0	0	0	-0.65	
-2342	OS3	SLES	1	-38.1811	-29.2374	48.1019	O2L	2339	0	0	0	-0.65	
-2343	OS4	SLES	1	-39.0748	-29.0923	45.7698	O2L	2339	0	0	0	-0.65	
-2344	C2	SLES	1	-37.1404	-27.144	45.8938	CC32A	2340	2345	2346	2347	-0.11	
-2345	H2A	SLES	1	-37.805	-26.779	45.0667	HCA2	2344	0	0	0	0.09	
-2346	H2B	SLES	1	-36.5229	-28.0079	45.5305	HCA2	2344	0	0	0	0.09	
-2347	C1	SLES	1	-36.2575	-26.008	46.4537	CC32A	2344	2348	2349	2350	-0.01	
-2348	H1B	SLES	1	-36.8868	-25.166	46.8426	HCA2	2347	0	0	0	0.09	
-2349	H1A	SLES	1	-35.6071	-26.3813	47.2825	HCA2	2347	0	0	0	0.09	
-2350	O1	SLES	1	-35.3553	-25.3804	45.6014	OC30A	2347	2351	0	0	-0.34	
-2351	C2	SLES	1	-35.3096	-25.806	44.2517	CC32A	2350	2352	2353	2354	-0.01	
-2352	H2A	SLES	1	-36.3153	-25.6668	43.761	HCA2	2351	0	0	0	0.09	
-2353	H2B	SLES	1	-35.0266	-26.882	44.176	HCA2	2351	0	0	0	0.09	
-2354	C1	SLES	1	-34.3084	-24.6207	44	CC32A	2351	2355	2356	2357	-0.01	
-2355	H1B	SLES	1	-35.0062	-24.1761	43.2782	HCA2	2354	0	0	0	0.09	
-2356	H1A	SLES	1	-33.6066	-25.5078	43.7932	HCA2	2354	0	0	0	0.09	
-2357	O1	SLES	1	-33.1787	-23.9211	43.5458	OC30A	2354	2358	0	0	-0.34	
-2358	C1	SLES	1	-32.8939	-23.9391	42.1542	CTL2	2357	2359	2360	2361	-0.18	
-2359	H11	SLES	1	-33.7618	-23.7276	41.4692	HAL2	2358	0	0	0	0.09	
-2360	H12	SLES	1	-32.4746	-24.9326	41.8548	HAL2	2358	0	0	0	0.09	
-2361	C2	SLES	1	-31.8476	-22.8264	42.1048	CTL2	2358	2362	2363	2364	-0.18	
-2362	H21	SLES	1	-32.2601	-21.8166	42.343	HAL2	2361	0	0	0	0.09	
-2363	H22	SLES	1	-30.9669	-23.0234	42.7636	HAL2	2361	0	0	0	0.09	
-2364	C3	SLES	1	-31.4064	-22.8508	40.6973	CTL2	2361	2365	2366	2367	-0.18	
-2365	H31	SLES	1	-32.3371	-22.6497	40.1	HAL2	2364	0	0	0	0.09	
-2366	H32	SLES	1	-31.0133	-23.8924	40.535	HAL2	2364	0	0	0	0.09	
-2367	C4	SLES	1	-30.3566	-21.9124	40.197	CTL2	2364	2368	2369	2370	-0.18	
-2368	H41	SLES	1	-30.6716	-20.8467	40.319	HAL2	2367	0	0	0	0.09	
-2369	H42	SLES	1	-29.3933	-22.0516	40.7416	HAL2	2367	0	0	0	0.09	
-2370	C5	SLES	1	-30.322	-22.3872	38.7381	CTL2	2367	2371	2372	2373	-0.18	
-2371	H51	SLES	1	-31.337	-22.2904	38.2686	HAL2	2370	0	0	0	0.09	
-2372	H52	SLES	1	-30.0731	-23.4798	38.6864	HAL2	2370	0	0	0	0.09	
-2373	C6	SLES	1	-29.3845	-21.7079	37.8365	CTL2	2370	2374	2375	2376	-0.18	
-2374	H61	SLES	1	-29.9991	-21.3177	36.9804	HAL2	2373	0	0	0	0.09	
-2375	H62	SLES	1	-28.7316	-22.5103	37.3994	HAL2	2373	0	0	0	0.09	
-2376	C7	SLES	1	-28.5294	-20.5877	38.4412	CTL2	2373	2377	2378	2379	-0.18	
-2377	H71	SLES	1	-29.1203	-19.7213	38.8217	HAL2	2376	0	0	0	0.09	
-2378	H72	SLES	1	-27.8371	-20.9289	39.2456	HAL2	2376	0	0	0	0.09	
-2379	C8	SLES	1	-27.7637	-20.1979	37.2291	CTL2	2376	2380	2381	2382	-0.18	
-2380	H81	SLES	1	-28.525	-19.8887	36.459	HAL2	2379	0	0	0	0.09	
-2381	H82	SLES	1	-27.2149	-21.1229	36.892	HAL2	2379	0	0	0	0.09	
-2382	C9	SLES	1	-26.7552	-19.1045	37.293	CTL2	2379	2383	2384	2385	-0.18	
-2383	H91	SLES	1	-27.2407	-18.1509	37.599	HAL2	2382	0	0	0	0.09	
-2384	H92	SLES	1	-25.9553	-19.3615	38.0233	HAL2	2382	0	0	0	0.09	
-2385	C10	SLES	1	-26.2696	-19.0967	35.845	CTL2	2382	2386	2387	2388	-0.18	
-2386	H10	SLES	1	-27.1341	-18.906	35.1532	HAL2	2385	0	0	0	0.09	
-2387	H10	SLES	1	-25.8582	-20.1072	35.5748	HAL2	2385	0	0	0	0.09	
-2388	C11	SLES	1	-25.2145	-18.0847	35.5364	CTL2	2385	2389	2390	2391	-0.18	
-2389	H11	SLES	1	-25.6337	-17.0819	35.785	HAL2	2388	0	0	0	0.09	
-2390	H11	SLES	1	-24.3502	-18.2902	36.2095	HAL2	2388	0	0	0	0.09	
-2391	C12	SLES	1	-24.8275	-18.1914	34.0586	CTL3	2388	2392	2393	2394	-0.27	
-2392	H12	SLES	1	-25.049	-17.2392	33.5386	HAL3	2391	0	0	0	0.09	
-2393	H12	SLES	1	-23.7563	-18.4562	33.9652	HAL3	2391	0	0	0	0.09	
-2394	H12	SLES	1	-25.4009	-18.9884	33.5244	HAL3	2391	0	0	0	0.09	
-2395	NA	SLES	1	-27.8044	-38.3484	49.9505	NA	0	0	0	0	1	
-2396	S	SLES	1	-28.4096	-39.0356	47.0633	SL	2397	2398	2399	2400	1.33	
-2397	OS1	SLES	1	-27.5135	-37.8687	46.9943	OSL	2396	2401	0	0	-0.28	
-2398	OS2	SLES	1	-29.3505	-38.3005	47.8788	O2L	2396	0	0	0	-0.65	
-2399	OS3	SLES	1	-27.4201	-39.7893	47.7984	O2L	2396	0	0	0	-0.65	
-2400	OS4	SLES	1	-28.7388	-39.3876	45.7107	O2L	2396	0	0	0	-0.65	
-2401	C2	SLES	1	-27.0288	-37.2424	45.8745	CC32A	2397	2402	2403	2404	-0.11	
-2402	H2A	SLES	1	-27.8689	-36.8405	45.2487	HCA2	2401	0	0	0	0.09	
-2403	H2B	SLES	1	-26.4021	-37.9439	45.2624	HCA2	2401	0	0	0	0.09	
-2404	C1	SLES	1	-26.1811	-36.1042	46.4826	CC32A	2401	2405	2406	2407	-0.01	
-2405	H1B	SLES	1	-26.8123	-35.4299	47.1176	HCA2	2404	0	0	0	0.09	
-2406	H1A	SLES	1	-25.3537	-36.5164	47.1109	HCA2	2404	0	0	0	0.09	
-2407	O1	SLES	1	-25.5222	-35.2299	45.6251	OC30A	2404	2408	0	0	-0.34	
-2408	C2	SLES	1	-25.6821	-35.4193	44.231	CC32A	2407	2409	2410	2411	-0.01	
-2409	H2A	SLES	1	-26.7699	-35.3391	43.9452	HCA2	2408	0	0	0	0.09	
-2410	H2B	SLES	1	-25.3071	-36.4203	43.913	HCA2	2408	0	0	0	0.09	
-2411	C1	SLES	1	-24.8737	-34.0845	44.0423	CC32A	2408	2412	2413	2414	-0.01	
-2412	H1B	SLES	1	-25.7351	-33.6265	43.5385	HCA2	2411	0	0	0	0.09	
-2413	H1A	SLES	1	-24.1334	-34.8229	43.5636	HCA2	2411	0	0	0	0.09	
-2414	O1	SLES	1	-23.9264	-33.174	43.5467	OC30A	2411	2415	0	0	-0.34	
-2415	C1	SLES	1	-23.9028	-32.9259	42.1482	CTL2	2414	2416	2417	2418	-0.18	
-2416	H11	SLES	1	-24.8994	-32.7248	41.6649	HAL2	2415	0	0	0	0.09	
-2417	H12	SLES	1	-23.4446	-33.7914	41.6063	HAL2	2415	0	0	0	0.09	
-2418	C2	SLES	1	-23.0055	-31.6891	42.1347	CTL2	2415	2419	2420	2421	-0.18	
-2419	H21	SLES	1	-23.4701	-30.7969	42.6191	HAL2	2418	0	0	0	0.09	
-2420	H22	SLES	1	-22.0028	-31.8701	42.5931	HAL2	2418	0	0	0	0.09	
-2421	C3	SLES	1	-22.8314	-31.4236	40.6941	CTL2	2418	2422	2423	2424	-0.18	
-2422	H31	SLES	1	-23.8721	-31.2553	40.3042	HAL2	2421	0	0	0	0.09	
-2423	H32	SLES	1	-22.3684	-32.3618	40.2804	HAL2	2421	0	0	0	0.09	
-2424	C4	SLES	1	-21.9956	-30.2829	40.2109	CTL2	2421	2425	2426	2427	-0.18	
-2425	H41	SLES	1	-22.3922	-29.3039	40.5771	HAL2	2424	0	0	0	0.09	
-2426	H42	SLES	1	-20.9393	-30.3777	40.5558	HAL2	2424	0	0	0	0.09	
-2427	C5	SLES	1	-22.1813	-30.5042	38.7037	CTL2	2424	2428	2429	2430	-0.18	
-2428	H51	SLES	1	-23.27	-30.4701	38.4322	HAL2	2427	0	0	0	0.09	
-2429	H52	SLES	1	-21.8336	-31.5299	38.4114	HAL2	2427	0	0	0	0.09	
-2430	C6	SLES	1	-21.5024	-29.5664	37.8022	CTL2	2427	2431	2432	2433	-0.18	
-2431	H61	SLES	1	-22.3016	-29.1284	37.1448	HAL2	2430	0	0	0	0.09	
-2432	H62	SLES	1	-20.8612	-30.191	37.1239	HAL2	2430	0	0	0	0.09	
-2433	C7	SLES	1	-20.672	-28.4548	38.4553	CTL2	2430	2434	2435	2436	-0.18	
-2434	H71	SLES	1	-21.2697	-27.7501	39.0803	HAL2	2433	0	0	0	0.09	
-2435	H72	SLES	1	-19.8114	-28.8259	39.0589	HAL2	2433	0	0	0	0.09	
-2436	C8	SLES	1	-20.1879	-27.7725	37.2274	CTL2	2433	2437	2438	2439	-0.18	
-2437	H81	SLES	1	-21.1062	-27.4476	36.6623	HAL2	2436	0	0	0	0.09	
-2438	H82	SLES	1	-19.6172	-28.5473	36.6405	HAL2	2436	0	0	0	0.09	
-2439	C9	SLES	1	-19.3046	-26.5781	37.3264	CTL2	2436	2440	2441	2442	-0.18	
-2440	H91	SLES	1	-19.8221	-25.7617	37.8782	HAL2	2439	0	0	0	0.09	
-2441	H92	SLES	1	-18.3614	-26.8404	37.8563	HAL2	2439	0	0	0	0.09	
-2442	C10	SLES	1	-19.0979	-26.2685	35.8452	CTL2	2439	2443	2444	2445	-0.18	
-2443	H10	SLES	1	-20.0903	-26.0861	35.351	HAL2	2442	0	0	0	0.09	
-2444	H10	SLES	1	-18.6403	-27.1564	35.3298	HAL2	2442	0	0	0	0.09	
-2445	C11	SLES	1	-18.2294	-25.0865	35.5605	CTL2	2442	2446	2447	2448	-0.18	
-2446	H11	SLES	1	-18.6978	-24.2037	36.0549	HAL2	2445	0	0	0	0.09	
-2447	H11	SLES	1	-17.239	-25.2804	36.034	HAL2	2445	0	0	0	0.09	
-2448	C12	SLES	1	-18.1126	-24.8973	34.0455	CTL3	2445	2449	2450	2451	-0.27	
-2449	H12	SLES	1	-18.5243	-23.9118	33.7532	HAL3	2448	0	0	0	0.09	
-2450	H12	SLES	1	-17.0552	-24.9961	33.7312	HAL3	2448	0	0	0	0.09	
-2451	H12	SLES	1	-18.6883	-25.6665	33.4742	HAL3	2448	0	0	0	0.09	
-2452	NA	SLES	1	-14.0099	-45.3269	49.8589	NA	0	0	0	0	1	
-2453	S	SLES	1	-15.1743	-45.8011	47.1032	SL	2454	2455	2456	2457	1.33	
-2454	OS1	SLES	1	-14.4475	-44.5249	46.992	OSL	2453	2458	0	0	-0.28	
-2455	OS2	SLES	1	-15.9799	-45.2806	48.1852	O2L	2453	0	0	0	-0.65	
-2456	OS3	SLES	1	-13.9694	-46.4859	47.5114	O2L	2453	0	0	0	-0.65	
-2457	OS4	SLES	1	-15.7608	-46.059	45.8182	O2L	2453	0	0	0	-0.65	
-2458	C2	SLES	1	-14.2982	-43.7331	45.8821	CC32A	2454	2459	2460	2461	-0.11	
-2459	H2A	SLES	1	-15.2961	-43.3863	45.5041	HCA2	2458	0	0	0	0.09	
-2460	H2B	SLES	1	-13.7545	-44.282	45.0681	HCA2	2458	0	0	0	0.09	
-2461	C1	SLES	1	-13.4622	-42.5582	46.4338	CC32A	2458	2462	2463	2464	-0.01	
-2462	H1B	SLES	1	-14.0022	-42.0388	47.2675	HCA2	2461	0	0	0	0.09	
-2463	H1A	SLES	1	-12.475	-42.917	46.8156	HCA2	2461	0	0	0	0.09	
-2464	O1	SLES	1	-13.1117	-41.5244	45.5721	OC30A	2461	2465	0	0	-0.34	
-2465	C2	SLES	1	-13.561	-41.5954	44.2313	CC32A	2464	2466	2467	2468	-0.01	
-2466	H2A	SLES	1	-14.6874	-41.632	44.1952	HCA2	2465	0	0	0	0.09	
-2467	H2B	SLES	1	-13.1625	-42.5019	43.7184	HCA2	2465	0	0	0	0.09	
-2468	C1	SLES	1	-12.9642	-40.1534	44.0436	CC32A	2465	2469	2470	2471	-0.01	
-2469	H1B	SLES	1	-13.9612	-39.7661	43.7954	HCA2	2468	0	0	0	0.09	
-2470	H1A	SLES	1	-12.2762	-40.7369	43.3303	HCA2	2468	0	0	0	0.09	
-2471	O1	SLES	1	-12.2566	-39.0814	43.476	OC30A	2468	2472	0	0	-0.34	
-2472	C1	SLES	1	-12.5762	-38.6962	42.1466	CTL2	2471	2473	2474	2475	-0.18	
-2473	H11	SLES	1	-13.6719	-38.5821	41.9149	HAL2	2472	0	0	0	0.09	
-2474	H12	SLES	1	-12.1621	-39.436	41.416	HAL2	2472	0	0	0	0.09	
-2475	C2	SLES	1	-11.8432	-37.3564	42.0977	CTL2	2472	2476	2477	2478	-0.18	
-2476	H21	SLES	1	-12.2793	-36.5853	42.7773	HAL2	2475	0	0	0	0.09	
-2477	H22	SLES	1	-10.7493	-37.4473	42.3065	HAL2	2475	0	0	0	0.09	
-2478	C3	SLES	1	-12.0285	-36.9299	40.6976	CTL2	2475	2479	2480	2481	-0.18	
-2479	H31	SLES	1	-13.1422	-36.8633	40.5617	HAL2	2478	0	0	0	0.09	
-2480	H32	SLES	1	-11.573	-37.7535	40.0812	HAL2	2478	0	0	0	0.09	
-2481	C4	SLES	1	-11.4507	-35.6469	40.1946	CTL2	2478	2482	2483	2484	-0.18	
-2482	H41	SLES	1	-11.857	-34.7696	40.756	HAL2	2481	0	0	0	0.09	
-2483	H42	SLES	1	-10.3398	-35.6346	40.2928	HAL2	2481	0	0	0	0.09	
-2484	C5	SLES	1	-11.9472	-35.7416	38.7456	CTL2	2481	2485	2486	2487	-0.18	
-2485	H51	SLES	1	-13.0662	-35.8252	38.7177	HAL2	2484	0	0	0	0.09	
-2486	H52	SLES	1	-11.5665	-36.6786	38.2603	HAL2	2484	0	0	0	0.09	
-2487	C6	SLES	1	-11.594	-34.6383	37.8449	CTL2	2484	2488	2489	2490	-0.18	
-2488	H61	SLES	1	-12.5633	-34.2474	37.4321	HAL2	2487	0	0	0	0.09	
-2489	H62	SLES	1	-11.0593	-35.103	36.9734	HAL2	2487	0	0	0	0.09	
-2490	C7	SLES	1	-10.7618	-33.4963	38.4405	CTL2	2487	2491	2492	2493	-0.18	
-2491	H71	SLES	1	-11.2749	-32.9416	39.2613	HAL2	2490	0	0	0	0.09	
-2492	H72	SLES	1	-9.75237	-33.8079	38.7966	HAL2	2490	0	0	0	0.09	
-2493	C8	SLES	1	-10.6436	-32.6387	37.233	CTL2	2490	2494	2495	2496	-0.18	
-2494	H81	SLES	1	-11.6952	-32.3841	36.9209	HAL2	2493	0	0	0	0.09	
-2495	H82	SLES	1	-10.1404	-33.2698	36.4463	HAL2	2493	0	0	0	0.09	
-2496	C9	SLES	1	-9.89408	-31.3535	37.2908	CTL2	2493	2497	2498	2499	-0.18	
-2497	H91	SLES	1	-10.3581	-30.6709	38.0374	HAL2	2496	0	0	0	0.09	
-2498	H92	SLES	1	-8.83303	-31.5396	37.5714	HAL2	2496	0	0	0	0.09	
-2499	C10	SLES	1	-10.0617	-30.8753	35.85	CTL2	2496	2500	2501	2502	-0.18	
-2500	H10	SLES	1	-11.1538	-30.778	35.6045	HAL2	2499	0	0	0	0.09	
-2501	H10	SLES	1	-9.63982	-31.6399	35.1424	HAL2	2499	0	0	0	0.09	
-2502	C11	SLES	1	-9.41187	-29.5667	35.5375	CTL2	2499	2503	2504	2505	-0.18	
-2503	H11	SLES	1	-9.84846	-28.8064	36.2264	HAL2	2502	0	0	0	0.09	
-2504	H11	SLES	1	-8.32528	-29.6735	35.762	HAL2	2502	0	0	0	0.09	
-2505	C12	SLES	1	-9.66127	-29.2158	34.068	CTL3	2502	2506	2507	2508	-0.27	
-2506	H12	SLES	1	-10.2316	-28.2694	33.9953	HAL3	2505	0	0	0	0.09	
-2507	H12	SLES	1	-8.6979	-29.1425	33.5267	HAL3	2505	0	0	0	0.09	
-2508	H12	SLES	1	-10.2652	-29.9945	33.5404	HAL3	2505	0	0	0	0.09	
-2509	NA	SLES	1	1.2519	-47.6243	49.6158	NA	0	0	0	0	1	
-2510	S	SLES	1	-0.48998	-48.1745	47.1998	SL	2511	2512	2513	2514	1.33	
-2511	OS1	SLES	1	0.0356554	-46.8155	46.9852	OSL	2510	2515	0	0	-0.28	
-2512	OS2	SLES	1	-1.06018	-47.784	48.4698	O2L	2510	0	0	0	-0.65	
-2513	OS3	SLES	1	0.848698	-48.7134	47.2692	O2L	2510	0	0	0	-0.65	
-2514	OS4	SLES	1	-1.34	-48.4729	46.0816	O2L	2510	0	0	0	-0.65	
-2515	C2	SLES	1	-0.183811	-45.9852	45.9158	CC32A	2511	2516	2517	2518	-0.11	
-2516	H2A	SLES	1	-1.27696	-45.7565	45.8079	HCA2	2515	0	0	0	0.09	
-2517	H2B	SLES	1	0.203164	-46.4428	44.9669	HCA2	2515	0	0	0	0.09	
-2518	C1	SLES	1	0.621073	-44.7287	46.3121	CC32A	2515	2519	2520	2521	-0.01	
-2519	H1B	SLES	1	0.245908	-44.3005	47.2776	HCA2	2518	0	0	0	0.09	
-2520	H1A	SLES	1	1.7063	-44.9708	46.4256	HCA2	2518	0	0	0	0.09	
-2521	O1	SLES	1	0.6284	-43.6392	45.4477	OC30A	2518	2522	0	0	-0.34	
-2522	C2	SLES	1	-0.124691	-43.734	44.2524	CC32A	2521	2523	2524	2525	-0.01	
-2523	H2A	SLES	1	-1.21367	-43.9096	44.4863	HCA2	2522	0	0	0	0.09	
-2524	H2B	SLES	1	0.23748	-44.5714	43.6112	HCA2	2522	0	0	0	0.09	
-2525	C1	SLES	1	0.238069	-42.2248	44.0038	CC32A	2522	2526	2527	2528	-0.01	
-2526	H1B	SLES	1	-0.827066	-41.9589	44.0237	HCA2	2525	0	0	0	0.09	
-2527	H1A	SLES	1	0.792486	-42.7011	43.116	HCA2	2525	0	0	0	0.09	
-2528	O1	SLES	1	0.656792	-41.06	43.3407	OC30A	2525	2529	0	0	-0.34	
-2529	C1	SLES	1	-0.0211082	-40.6863	42.1496	CTL2	2528	2530	2531	2532	-0.18	
-2530	H11	SLES	1	-1.1458	-40.704	42.1946	HAL2	2529	0	0	0	0.09	
-2531	H12	SLES	1	0.28348	-41.3513	41.3025	HAL2	2529	0	0	0	0.09	
-2532	C2	SLES	1	0.518503	-39.2648	41.9973	CTL2	2529	2533	2534	2535	-0.18	
-2533	H21	SLES	1	0.176663	-38.5703	42.8019	HAL2	2532	0	0	0	0.09	
-2534	H22	SLES	1	1.63312	-39.2238	41.9319	HAL2	2532	0	0	0	0.09	
-2535	C3	SLES	1	-0.0521241	-38.8317	40.7077	CTL2	2532	2536	2537	2538	-0.18	
-2536	H31	SLES	1	-1.16526	-38.9011	40.8473	HAL2	2535	0	0	0	0.09	
-2537	H32	SLES	1	0.329941	-39.5774	39.9569	HAL2	2535	0	0	0	0.09	
-2538	C4	SLES	1	0.233177	-37.4752	40.1495	CTL2	2535	2539	2540	2541	-0.18	
-2539	H41	SLES	1	-0.121143	-36.6689	40.8381	HAL2	2538	0	0	0	0.09	
-2540	H42	SLES	1	1.32523	-37.3271	39.9782	HAL2	2538	0	0	0	0.09	
-2541	C5	SLES	1	-0.589096	-37.5968	38.8595	CTL2	2538	2542	2543	2544	-0.18	
-2542	H51	SLES	1	-1.66356	-37.8184	39.0971	HAL2	2541	0	0	0	0.09	
-2543	H52	SLES	1	-0.233893	-38.4674	38.2477	HAL2	2541	0	0	0	0.09	
-2544	C6	SLES	1	-0.596769	-36.4371	37.9604	CTL2	2541	2545	2546	2547	-0.18	
-2545	H61	SLES	1	-1.67606	-36.1602	37.8143	HAL2	2544	0	0	0	0.09	
-2546	H62	SLES	1	-0.242321	-36.8108	36.9625	HAL2	2544	0	0	0	0.09	
-2547	C7	SLES	1	0.219079	-35.2147	38.3985	CTL2	2544	2548	2549	2550	-0.18	
-2548	H71	SLES	1	-0.137471	-34.7478	39.3468	HAL2	2547	0	0	0	0.09	
-2549	H72	SLES	1	1.31388	-35.4065	38.4842	HAL2	2547	0	0	0	0.09	
-2550	C8	SLES	1	-0.0617829	-34.3208	37.2454	CTL2	2547	2551	2552	2553	-0.18	
-2551	H81	SLES	1	-1.1799	-34.1918	37.2093	HAL2	2550	0	0	0	0.09	
-2552	H82	SLES	1	0.302254	-34.8656	36.3283	HAL2	2550	0	0	0	0.09	
-2553	C9	SLES	1	0.526095	-32.954	37.1897	CTL2	2550	2554	2555	2556	-0.18	
-2554	H91	SLES	1	0.183926	-32.3524	38.0612	HAL2	2553	0	0	0	0.09	
-2555	H92	SLES	1	1.63769	-33.0131	37.1965	HAL2	2553	0	0	0	0.09	
-2556	C10	SLES	1	-0.0435056	-32.4665	35.8591	CTL2	2553	2557	2558	2559	-0.18	
-2557	H10	SLES	1	-1.1661	-32.5002	35.8889	HAL2	2556	0	0	0	0.09	
-2558	H10	SLES	1	0.277096	-33.1557	35.031	HAL2	2556	0	0	0	0.09	
-2559	C11	SLES	1	0.355008	-31.0801	35.4696	CTL2	2556	2560	2561	2562	-0.18	
-2560	H11	SLES	1	0.0162057	-30.3967	36.2828	HAL2	2559	0	0	0	0.09	
-2561	H11	SLES	1	1.46831	-31.0561	35.4202	HAL2	2559	0	0	0	0.09	
-2562	C12	SLES	1	-0.285688	-30.7283	34.124	CTL3	2559	2563	2564	2565	-0.27	
-2563	H12	SLES	1	-0.961353	-29.8589	34.2411	HAL3	2562	0	0	0	0.09	
-2564	H12	SLES	1	0.500563	-30.523	33.3716	HAL3	2562	0	0	0	0.09	
-2565	H12	SLES	1	-0.906853	-31.5635	33.7164	HAL3	2562	0	0	0	0.09	
-2566	NA	SLES	1	16.4202	-45.039	49.2451	NA	0	0	0	0	1	
-2567	S	SLES	1	14.2309	-45.9138	47.3435	SL	2568	2569	2570	2571	1.33	
-2568	OS1	SLES	1	14.5161	-44.5167	46.9745	OSL	2567	2572	0	0	-0.28	
-2569	OS2	SLES	1	13.9388	-45.5244	48.705	O2L	2567	0	0	0	-0.65	
-2570	OS3	SLES	1	15.6034	-46.2907	47.0953	O2L	2567	0	0	0	-0.65	
-2571	OS4	SLES	1	13.1809	-46.3671	46.4752	O2L	2567	0	0	0	-0.65	
-2572	C2	SLES	1	13.9443	-43.7753	45.9722	CC32A	2568	2573	2574	2575	-0.11	
-2573	H2A	SLES	1	12.8376	-43.6799	46.1302	HCA2	2572	0	0	0	0.09	
-2574	H2B	SLES	1	14.1456	-44.2353	44.9685	HCA2	2572	0	0	0	0.09	
-2575	C1	SLES	1	14.658	-42.4153	46.1293	CC32A	2572	2576	2577	2578	-0.01	
-2576	H1B	SLES	1	14.4757	-41.9823	47.1469	HCA2	2575	0	0	0	0.09	
-2577	H1A	SLES	1	15.7601	-42.5247	45.979	HCA2	2575	0	0	0	0.09	
-2578	O1	SLES	1	14.3215	-41.3799	45.264	OC30A	2575	2579	0	0	-0.34	
-2579	C2	SLES	1	13.321	-41.6241	44.2924	CC32A	2578	2580	2581	2582	-0.01	
-2580	H2A	SLES	1	12.3508	-41.9111	44.7902	HCA2	2579	0	0	0	0.09	
-2581	H2B	SLES	1	13.6197	-42.4473	43.6019	HCA2	2579	0	0	0	0.09	
-2582	C1	SLES	1	13.4225	-40.0987	43.9268	CC32A	2579	2583	2584	2585	-0.01	
-2583	H1B	SLES	1	12.3688	-39.9563	44.201	HCA2	2582	0	0	0	0.09	
-2584	H1A	SLES	1	13.802	-40.5546	42.9417	HCA2	2582	0	0	0	0.09	
-2585	O1	SLES	1	13.5211	-38.9304	43.154	OC30A	2582	2586	0	0	-0.34	
-2586	C1	SLES	1	12.5356	-38.7011	42.1569	CTL2	2585	2587	2588	2589	-0.18	
-2587	H11	SLES	1	11.4659	-38.8456	42.4767	HAL2	2586	0	0	0	0.09	
-2588	H12	SLES	1	12.7079	-39.3709	41.277	HAL2	2586	0	0	0	0.09	
-2589	C2	SLES	1	12.8414	-37.2372	41.8434	CTL2	2586	2590	2591	2592	-0.18	
-2590	H21	SLES	1	12.6194	-36.5447	42.6907	HAL2	2589	0	0	0	0.09	
-2591	H22	SLES	1	13.8936	-37.0718	41.5058	HAL2	2589	0	0	0	0.09	
-2592	C3	SLES	1	11.9281	-36.9419	40.7232	CTL2	2589	2593	2594	2595	-0.18	
-2593	H31	SLES	1	10.8987	-37.1312	41.1331	HAL2	2592	0	0	0	0.09	
-2594	H32	SLES	1	12.2082	-37.6777	39.9195	HAL2	2592	0	0	0	0.09	
-2595	C4	SLES	1	11.8996	-35.5933	40.0802	CTL2	2592	2596	2597	2598	-0.18	
-2596	H41	SLES	1	11.6237	-34.7975	40.8154	HAL2	2595	0	0	0	0.09	
-2597	H42	SLES	1	12.8913	-35.3299	39.643	HAL2	2595	0	0	0	0.09	
-2598	C5	SLES	1	10.813	-35.8771	39.0344	CTL2	2595	2599	2600	2601	-0.18	
-2599	H51	SLES	1	9.86342	-36.2078	39.5334	HAL2	2598	0	0	0	0.09	
-2600	H52	SLES	1	11.1162	-36.7324	38.3749	HAL2	2598	0	0	0	0.09	
-2601	C6	SLES	1	10.445	-34.7755	38.1375	CTL2	2598	2602	2603	2604	-0.18	
-2602	H61	SLES	1	9.33646	-34.6328	38.2539	HAL2	2601	0	0	0	0.09	
-2603	H62	SLES	1	10.5928	-35.1587	37.0922	HAL2	2601	0	0	0	0.09	
-2604	C7	SLES	1	11.1836	-33.4459	38.3331	CTL2	2601	2605	2606	2607	-0.18	
-2605	H71	SLES	1	11.0102	-32.9732	39.3287	HAL2	2604	0	0	0	0.09	
-2606	H72	SLES	1	12.282	-33.5057	38.1524	HAL2	2604	0	0	0	0.09	
-2607	C8	SLES	1	10.5246	-32.6529	37.2633	CTL2	2604	2608	2609	2610	-0.18	
-2608	H81	SLES	1	9.42354	-32.6554	37.4994	HAL2	2607	0	0	0	0.09	
-2609	H82	SLES	1	10.7224	-33.2003	36.2981	HAL2	2607	0	0	0	0.09	
-2610	C9	SLES	1	10.907	-31.2325	37.0329	CTL2	2607	2611	2612	2613	-0.18	
-2611	H91	SLES	1	10.7123	-30.6286	37.9472	HAL2	2610	0	0	0	0.09	
-2612	H92	SLES	1	11.986	-31.163	36.7684	HAL2	2610	0	0	0	0.09	
-2613	C10	SLES	1	9.97799	-30.8853	35.8714	CTL2	2610	2614	2615	2616	-0.18	
-2614	H10	SLES	1	8.90869	-31.0462	36.1763	HAL2	2613	0	0	0	0.09	
-2615	H10	SLES	1	10.1733	-31.5762	35.0065	HAL2	2613	0	0	0	0.09	
-2616	C11	SLES	1	10.0954	-29.485	35.3635	CTL2	2613	2617	2618	2619	-0.18	
-2617	H11	SLES	1	9.87966	-28.8027	36.2185	HAL2	2616	0	0	0	0.09	
-2618	H11	SLES	1	11.1522	-29.3358	35.042	HAL2	2616	0	0	0	0.09	
-2619	C12	SLES	1	9.11124	-29.2815	34.2081	CTL3	2616	2620	2621	2622	-0.27	
-2620	H12	SLES	1	8.38073	-28.4905	34.4667	HAL3	2619	0	0	0	0.09	
-2621	H12	SLES	1	9.66162	-29.0274	33.2813	HAL3	2619	0	0	0	0.09	
-2622	H12	SLES	1	8.51924	-30.203	33.9851	HAL3	2619	0	0	0	0.09	
-2623	NA	SLES	1	29.9697	-37.8825	48.7829	NA	0	0	0	0	1	
-2624	S	SLES	1	27.5621	-39.2179	47.5203	SL	2625	2626	2627	2628	1.33	
-2625	OS1	SLES	1	27.5752	-37.8554	46.9611	OSL	2624	2629	0	0	-0.28	
-2626	OS2	SLES	1	27.5167	-38.695	48.8676	O2L	2624	0	0	0	-0.65	
-2627	OS3	SLES	1	28.8881	-39.4735	47.0068	O2L	2624	0	0	0	-0.65	
-2628	OS4	SLES	1	26.4211	-39.8862	46.9605	O2L	2624	0	0	0	-0.65	
-2629	C2	SLES	1	26.7108	-37.3108	46.046	CC32A	2625	2630	2631	2632	-0.11	
-2630	H2A	SLES	1	25.6602	-37.3156	46.4397	HCA2	2629	0	0	0	0.09	
-2631	H2B	SLES	1	26.7535	-37.8683	45.0729	HCA2	2629	0	0	0	0.09	
-2632	C1	SLES	1	27.2554	-35.8732	45.9034	CC32A	2629	2633	2634	2635	-0.01	
-2633	H1B	SLES	1	27.2376	-35.3384	46.8883	HCA2	2632	0	0	0	0.09	
-2634	H1A	SLES	1	28.305	-35.8815	45.5195	HCA2	2632	0	0	0	0.09	
-2635	O1	SLES	1	26.6091	-34.996	45.039	OC30A	2632	2636	0	0	-0.34	
-2636	C2	SLES	1	25.4664	-35.4657	44.3473	CC32A	2635	2637	2638	2639	-0.01	
-2637	H2A	SLES	1	24.6706	-35.7907	45.0771	HCA2	2636	0	0	0	0.09	
-2638	H2B	SLES	1	25.7179	-36.3319	43.6915	HCA2	2636	0	0	0	0.09	
-2639	C1	SLES	1	25.2854	-33.9959	43.8202	CC32A	2636	2640	2641	2642	-0.01	
-2640	H1B	SLES	1	24.3046	-33.9343	44.3099	HCA2	2639	0	0	0	0.09	
-2641	H1A	SLES	1	25.5041	-34.5281	42.8245	HCA2	2639	0	0	0	0.09	
-2642	O1	SLES	1	25.0624	-32.9296	42.9341	OC30A	2639	2643	0	0	-0.34	
-2643	C1	SLES	1	23.8663	-32.9338	42.1678	CTL2	2642	2644	2645	2646	-0.18	
-2644	H11	SLES	1	22.9176	-33.1511	42.7336	HAL2	2643	0	0	0	0.09	
-2645	H12	SLES	1	23.9349	-33.6859	41.3419	HAL2	2643	0	0	0	0.09	
-2646	C2	SLES	1	23.9024	-31.4962	41.6511	CTL2	2643	2647	2648	2649	-0.18	
-2647	H21	SLES	1	23.7756	-30.7311	42.4544	HAL2	2646	0	0	0	0.09	
-2648	H22	SLES	1	24.8276	-31.2624	41.07	HAL2	2646	0	0	0	0.09	
-2649	C3	SLES	1	22.7413	-31.443	40.7427	CTL2	2646	2650	2651	2652	-0.18	
-2650	H31	SLES	1	21.8566	-31.6889	41.391	HAL2	2649	0	0	0	0.09	
-2651	H32	SLES	1	22.9391	-32.2391	39.9727	HAL2	2649	0	0	0	0.09	
-2652	C4	SLES	1	22.399	-30.1962	39.9935	CTL2	2649	2653	2654	2655	-0.18	
-2653	H41	SLES	1	22.1826	-29.349	40.6901	HAL2	2652	0	0	0	0.09	
-2654	H42	SLES	1	23.2315	-29.8846	39.3198	HAL2	2652	0	0	0	0.09	
-2655	C5	SLES	1	21.1624	-30.7234	39.2532	CTL2	2652	2656	2657	2658	-0.18	
-2656	H51	SLES	1	20.3926	-31.0891	39.9837	HAL2	2655	0	0	0	0.09	
-2657	H52	SLES	1	21.4291	-31.6169	38.6296	HAL2	2655	0	0	0	0.09	
-2658	C6	SLES	1	20.4702	-29.7885	38.3588	CTL2	2655	2659	2660	2661	-0.18	
-2659	H61	SLES	1	19.4026	-29.7521	38.7079	HAL2	2658	0	0	0	0.09	
-2660	H62	SLES	1	20.442	-30.2812	37.3499	HAL2	2658	0	0	0	0.09	
-2661	C7	SLES	1	21.0509	-28.3733	38.251	CTL2	2658	2662	2663	2664	-0.18	
-2662	H71	SLES	1	21.0319	-27.8012	39.2085	HAL2	2661	0	0	0	0.09	
-2663	H72	SLES	1	22.084	-28.3371	37.8335	HAL2	2661	0	0	0	0.09	
-2664	C8	SLES	1	20.0811	-27.7955	37.285	CTL2	2661	2665	2666	2667	-0.18	
-2665	H81	SLES	1	19.0654	-27.8866	37.7628	HAL2	2664	0	0	0	0.09	
-2666	H82	SLES	1	20.14	-28.4349	36.3586	HAL2	2664	0	0	0	0.09	
-2667	C9	SLES	1	20.2145	-26.3823	36.8358	CTL2	2664	2668	2669	2670	-0.18	
-2668	H91	SLES	1	20.1403	-25.6933	37.7066	HAL2	2667	0	0	0	0.09	
-2669	H92	SLES	1	21.194	-26.231	36.3289	HAL2	2667	0	0	0	0.09	
-2670	C10	SLES	1	19.0227	-26.2847	35.8858	CTL2	2667	2671	2672	2673	-0.18	
-2671	H10	SLES	1	18.0733	-26.52	36.4386	HAL2	2670	0	0	0	0.09	
-2672	H10	SLES	1	19.1196	-27.0533	35.0713	HAL2	2670	0	0	0	0.09	
-2673	C11	SLES	1	18.8434	-24.9544	35.2294	CTL2	2670	2674	2675	2676	-0.18	
-2674	H11	SLES	1	18.7258	-24.1977	36.0398	HAL2	2673	0	0	0	0.09	
-2675	H11	SLES	1	19.7787	-24.734	34.6646	HAL2	2673	0	0	0	0.09	
-2676	C12	SLES	1	17.6184	-25.0036	34.3119	CTL3	2673	2677	2678	2679	-0.27	
-2677	H12	SLES	1	16.8614	-24.2695	34.6498	HAL3	2676	0	0	0	0.09	
-2678	H12	SLES	1	17.921	-24.8098	33.2644	HAL3	2676	0	0	0	0.09	
-2679	H12	SLES	1	17.1197	-26.0039	34.32	HAL3	2676	0	0	0	0.09	
-2680	NA	SLES	1	40.5758	-26.9263	48.2746	NA	0	0	0	0	1	
-2681	S	SLES	1	38.1972	-28.7154	47.713	SL	2682	2683	2684	2685	1.33	
-2682	OS1	SLES	1	37.9346	-27.4857	46.9461	OSL	2681	2686	0	0	-0.28	
-2683	OS2	SLES	1	38.3021	-27.9606	48.9417	O2L	2681	0	0	0	-0.65	
-2684	OS3	SLES	1	39.4438	-28.9216	47.0124	O2L	2681	0	0	0	-0.65	
-2685	OS4	SLES	1	37.0811	-29.5909	47.4899	O2L	2681	0	0	0	-0.65	
-2686	C2	SLES	1	36.8669	-27.2124	46.1297	CC32A	2682	2687	2688	2689	-0.11	
-2687	H2A	SLES	1	35.9051	-27.2542	46.7059	HCA2	2686	0	0	0	0.09	
-2688	H2B	SLES	1	36.8252	-27.9323	45.2697	HCA2	2686	0	0	0	0.09	
-2689	C1	SLES	1	37.1815	-25.7769	45.6564	CC32A	2686	2690	2691	2692	-0.01	
-2690	H1B	SLES	1	37.2526	-25.0745	46.527	HCA2	2689	0	0	0	0.09	
-2691	H1A	SLES	1	38.1458	-25.7464	45.0922	HCA2	2689	0	0	0	0.09	
-2692	O1	SLES	1	36.2903	-25.1466	44.7947	OC30A	2689	2693	0	0	-0.34	
-2693	C2	SLES	1	35.1241	-25.8524	44.4118	CC32A	2692	2694	2695	2696	-0.01	
-2694	H2A	SLES	1	34.5095	-26.1184	45.3189	HCA2	2693	0	0	0	0.09	
-2695	H2B	SLES	1	35.3799	-26.7936	43.8712	HCA2	2693	0	0	0	0.09	
-2696	C1	SLES	1	34.6626	-24.5321	43.6944	CC32A	2693	2697	2698	2699	-0.01	
-2697	H1B	SLES	1	33.7756	-24.4838	44.3398	HCA2	2696	0	0	0	0.09	
-2698	H1A	SLES	1	34.7857	-25.213	42.7759	HCA2	2696	0	0	0	0.09	
-2699	O1	SLES	1	34.1559	-23.6767	42.7027	OC30A	2696	2700	0	0	-0.34	
-2700	C1	SLES	1	32.8624	-23.9469	42.1813	CTL2	2699	2701	2702	2703	-0.18	
-2701	H11	SLES	1	32.057	-24.1539	42.9401	HAL2	2700	0	0	0	0.09	
-2702	H12	SLES	1	32.8964	-24.8271	41.4909	HAL2	2700	0	0	0	0.09	
-2703	C2	SLES	1	32.6191	-22.6335	41.4392	CTL2	2700	2704	2705	2706	-0.18	
-2704	H21	SLES	1	32.5229	-21.7509	42.1162	HAL2	2703	0	0	0	0.09	
-2705	H22	SLES	1	33.3968	-22.4157	40.6672	HAL2	2703	0	0	0	0.09	
-2706	C3	SLES	1	31.3289	-22.8702	40.7642	CTL2	2703	2707	2708	2709	-0.18	
-2707	H31	SLES	1	30.6034	-23.0833	41.5959	HAL2	2706	0	0	0	0.09	
-2708	H32	SLES	1	31.5042	-23.7696	40.1114	HAL2	2706	0	0	0	0.09	
-2709	C4	SLES	1	30.7035	-21.8256	39.8977	CTL2	2706	2710	2711	2712	-0.18	
-2710	H41	SLES	1	30.4914	-20.8918	40.4745	HAL2	2709	0	0	0	0.09	
-2711	H42	SLES	1	31.3651	-21.5585	39.0404	HAL2	2709	0	0	0	0.09	
-2712	C5	SLES	1	29.4455	-22.6064	39.4943	CTL2	2709	2713	2714	2715	-0.18	
-2713	H51	SLES	1	28.8618	-22.9094	40.404	HAL2	2712	0	0	0	0.09	
-2714	H52	SLES	1	29.7251	-23.5669	38.9866	HAL2	2712	0	0	0	0.09	
-2715	C6	SLES	1	28.4966	-21.9299	38.6026	CTL2	2712	2716	2717	2718	-0.18	
-2716	H61	SLES	1	27.5054	-21.9413	39.132	HAL2	2715	0	0	0	0.09	
-2717	H62	SLES	1	28.3711	-22.6005	37.7104	HAL2	2715	0	0	0	0.09	
-2718	C7	SLES	1	28.8554	-20.5062	38.16	CTL2	2715	2719	2720	2721	-0.18	
-2719	H71	SLES	1	28.9158	-19.7725	38.9982	HAL2	2718	0	0	0	0.09	
-2720	H72	SLES	1	29.7919	-20.44	37.559	HAL2	2718	0	0	0	0.09	
-2721	C8	SLES	1	27.6718	-20.2209	37.3084	CTL2	2718	2722	2723	2724	-0.18	
-2722	H81	SLES	1	26.7695	-20.3278	37.9736	HAL2	2721	0	0	0	0.09	
-2723	H82	SLES	1	27.6646	-21.0104	36.504	HAL2	2721	0	0	0	0.09	
-2724	C9	SLES	1	27.5379	-18.9087	36.6177	CTL2	2721	2725	2726	2727	-0.18	
-2725	H91	SLES	1	27.5143	-18.0825	37.3629	HAL2	2724	0	0	0	0.09	
-2726	H92	SLES	1	28.392	-18.7521	35.9211	HAL2	2724	0	0	0	0.09	
-2727	C10	SLES	1	26.2049	-19.1129	35.9008	CTL2	2724	2728	2729	2730	-0.18	
-2728	H10	SLES	1	25.3991	-19.3399	36.6501	HAL2	2727	0	0	0	0.09	
-2729	H10	SLES	1	26.2705	-20.0041	35.2191	HAL2	2727	0	0	0	0.09	
-2730	C11	SLES	1	25.7427	-17.9526	35.0807	CTL2	2727	2731	2732	2733	-0.18	
-2731	H11	SLES	1	25.6578	-17.0759	35.7642	HAL2	2730	0	0	0	0.09	
-2732	H11	SLES	1	26.5348	-17.7438	34.3247	HAL2	2730	0	0	0	0.09	
-2733	C12	SLES	1	24.4025	-18.2977	34.4254	CTL3	2730	2734	2735	2736	-0.27	
-2734	H12	SLES	1	23.6186	-17.5969	34.7727	HAL3	2733	0	0	0	0.09	
-2735	H12	SLES	1	24.501	-18.2699	33.3226	HAL3	2733	0	0	0	0.09	
-2736	H12	SLES	1	24.0516	-19.3258	34.6885	HAL3	2733	0	0	0	0.09	
-2737	NA	SLES	1	47.2432	-13.2993	47.7699	NA	0	0	0	0	1	
-2738	S	SLES	1	45.0785	-15.4136	47.9025	SL	2739	2740	2741	2742	1.33	
-2739	OS1	SLES	1	44.5816	-14.4243	46.9311	OSL	2738	2743	0	0	-0.28	
-2740	OS2	SLES	1	45.2029	-14.394	48.9201	O2L	2738	0	0	0	-0.65	
-2741	OS3	SLES	1	46.2665	-15.6377	47.1115	O2L	2738	0	0	0	-0.65	
-2742	OS4	SLES	1	44.0714	-16.4314	48.0116	O2L	2738	0	0	0	-0.65	
-2743	C2	SLES	1	43.4121	-14.4586	46.2153	CC32A	2739	2744	2745	2746	-0.11	
-2744	H2A	SLES	1	42.5255	-14.4721	46.9028	HCA2	2743	0	0	0	0.09	
-2745	H2B	SLES	1	43.3816	-15.3543	45.5399	HCA2	2743	0	0	0	0.09	
-2746	C1	SLES	1	43.4861	-13.1419	45.4127	CC32A	2743	2747	2748	2749	-0.01	
-2747	H1B	SLES	1	43.5489	-12.2575	46.0984	HCA2	2746	0	0	0	0.09	
-2748	H1A	SLES	1	44.3778	-13.1363	44.7388	HCA2	2746	0	0	0	0.09	
-2749	O1	SLES	1	42.4391	-12.8218	44.5551	OC30A	2746	2750	0	0	-0.34	
-2750	C2	SLES	1	41.3445	-13.7168	44.4795	CC32A	2749	2751	2752	2753	-0.01	
-2751	H2A	SLES	1	40.8626	-13.8354	45.492	HCA2	2750	0	0	0	0.09	
-2752	H2B	SLES	1	41.6682	-14.7228	44.1234	HCA2	2750	0	0	0	0.09	
-2753	C1	SLES	1	40.6443	-12.65	43.5617	CC32A	2750	2754	2755	2756	-0.01	
-2754	H1B	SLES	1	39.8265	-12.5526	44.2878	HCA2	2753	0	0	0	0.09	
-2755	H1A	SLES	1	40.7655	-13.5035	42.8006	HCA2	2753	0	0	0	0.09	
-2756	O1	SLES	1	39.934	-12.1001	42.4823	OC30A	2753	2757	0	0	-0.34	
-2757	C1	SLES	1	38.6427	-12.6182	42.196	CTL2	2756	2758	2759	2760	-0.18	
-2758	H11	SLES	1	37.9502	-12.7337	43.076	HAL2	2757	0	0	0	0.09	
-2759	H12	SLES	1	38.7247	-13.6228	41.7094	HAL2	2757	0	0	0	0.09	
-2760	C2	SLES	1	38.1561	-11.5403	41.2284	CTL2	2757	2761	2762	2763	-0.18	
-2761	H21	SLES	1	38.0111	-10.5431	41.7093	HAL2	2760	0	0	0	0.09	
-2762	H22	SLES	1	38.8186	-11.4203	40.3367	HAL2	2760	0	0	0	0.09	
-2763	C3	SLES	1	36.8485	-12.0603	40.7857	CTL2	2760	2764	2765	2766	-0.18	
-2764	H31	SLES	1	36.2428	-12.1566	41.7276	HAL2	2763	0	0	0	0.09	
-2765	H32	SLES	1	37.0762	-13.0598	40.322	HAL2	2763	0	0	0	0.09	
-2766	C4	SLES	1	36.0085	-11.3117	39.8023	CTL2	2763	2767	2768	2769	-0.18	
-2767	H41	SLES	1	35.7324	-10.3	40.1897	HAL2	2766	0	0	0	0.09	
-2768	H42	SLES	1	36.5415	-11.1758	38.8321	HAL2	2766	0	0	0	0.09	
-2769	C5	SLES	1	34.8313	-12.2938	39.7343	CTL2	2766	2770	2771	2772	-0.18	
-2770	H51	SLES	1	34.385	-12.4443	40.7533	HAL2	2769	0	0	0	0.09	
-2771	H52	SLES	1	35.1841	-13.3084	39.4111	HAL2	2769	0	0	0	0.09	
-2772	C6	SLES	1	33.7183	-11.942	38.8451	CTL2	2769	2773	2774	2775	-0.18	
-2773	H61	SLES	1	32.7941	-11.9398	39.4844	HAL2	2772	0	0	0	0.09	
-2774	H62	SLES	1	33.5954	-12.8062	38.1384	HAL2	2772	0	0	0	0.09	
-2775	C7	SLES	1	33.8404	-10.625	38.0691	CTL2	2772	2776	2777	2778	-0.18	
-2776	H71	SLES	1	33.8854	-9.71873	38.7182	HAL2	2775	0	0	0	0.09	
-2777	H72	SLES	1	34.6964	-10.5961	37.3555	HAL2	2775	0	0	0	0.09	
-2778	C8	SLES	1	32.5516	-10.668	37.3311	CTL2	2775	2779	2780	2781	-0.18	
-2779	H81	SLES	1	31.7411	-10.7181	38.1113	HAL2	2778	0	0	0	0.09	
-2780	H82	SLES	1	32.5699	-11.6149	36.72	HAL2	2778	0	0	0	0.09	
-2781	C9	SLES	1	32.1783	-9.56789	36.3999	CTL2	2778	2782	2783	2784	-0.18	
-2782	H91	SLES	1	32.119	-8.60209	36.9498	HAL2	2781	0	0	0	0.09	
-2783	H92	SLES	1	32.9315	-9.482	35.5848	HAL2	2781	0	0	0	0.09	
-2784	C10	SLES	1	30.82	-10.0705	35.9151	CTL2	2781	2785	2786	2787	-0.18	
-2785	H10	SLES	1	30.1289	-10.2075	36.7902	HAL2	2784	0	0	0	0.09	
-2786	H10	SLES	1	30.9356	-11.0804	35.4353	HAL2	2784	0	0	0	0.09	
-2787	C11	SLES	1	30.1302	-9.18184	34.9317	CTL2	2784	2788	2789	2790	-0.18	
-2788	H11	SLES	1	29.9977	-8.18772	35.4187	HAL2	2787	0	0	0	0.09	
-2789	H11	SLES	1	30.8096	-9.06548	34.0557	HAL2	2787	0	0	0	0.09	
-2790	C12	SLES	1	28.7895	-9.8078	34.5373	CTL3	2787	2791	2792	2793	-0.27	
-2791	H12	SLES	1	27.9578	-9.13495	34.8232	HAL3	2790	0	0	0	0.09	
-2792	H12	SLES	1	28.7747	-10.0194	33.4504	HAL3	2790	0	0	0	0.09	
-2793	H12	SLES	1	28.6052	-10.7815	35.0544	HAL3	2790	0	0	0	0.09	
-2794	NA	SLES	1	57.1043	1.64418	33.2983	NA	0	0	0	0	1	
-2795	S	SLES	1	55.4822	-0.607557	34.5118	SL	2796	2797	2798	2799	1.33	
-2796	OS1	SLES	1	54.5665	0.0495181	33.5636	OSL	2795	2800	0	0	-0.28	
-2797	OS2	SLES	1	55.6921	0.637759	35.2159	O2L	2795	0	0	0	-0.65	
-2798	OS3	SLES	1	56.4285	-0.880562	33.4548	O2L	2795	0	0	0	-0.65	
-2799	OS4	SLES	1	54.7467	-1.67631	35.1272	O2L	2795	0	0	0	-0.65	
-2800	C2	SLES	1	53.2725	-0.293442	33.2651	CC32A	2796	2801	2802	2803	-0.11	
-2801	H2A	SLES	1	52.6258	-0.239842	34.1805	HCA2	2800	0	0	0	0.09	
-2802	H2B	SLES	1	53.2223	-1.32482	32.8255	HCA2	2800	0	0	0	0.09	
-2803	C1	SLES	1	52.8824	0.785828	32.2324	CC32A	2800	2804	2805	2806	-0.01	
-2804	H1B	SLES	1	52.968	1.81251	32.6739	HCA2	2803	0	0	0	0.09	
-2805	H1A	SLES	1	53.539	0.728524	31.3297	HCA2	2803	0	0	0	0.09	
-2806	O1	SLES	1	51.6006	0.763312	31.6935	OC30A	2803	2807	0	0	-0.34	
-2807	C2	SLES	1	50.7096	-0.242648	32.1396	CC32A	2806	2808	2809	2810	-0.01	
-2808	H2A	SLES	1	50.5531	-0.164001	33.2535	HCA2	2807	0	0	0	0.09	
-2809	H2B	SLES	1	51.1013	-1.26114	31.9098	HCA2	2807	0	0	0	0.09	
-2810	C1	SLES	1	49.6024	0.478817	31.2883	CC32A	2807	2811	2812	2813	-0.01	
-2811	H1B	SLES	1	49.0111	0.65649	32.1963	HCA2	2810	0	0	0	0.09	
-2812	H1A	SLES	1	49.6643	-0.515444	30.7139	HCA2	2810	0	0	0	0.09	
-2813	O1	SLES	1	48.5359	0.661847	30.3933	OC30A	2810	2814	0	0	-0.34	
-2814	C1	SLES	1	47.3327	-0.0556061	30.6287	CTL2	2813	2815	2816	2817	-0.18	
-2815	H11	SLES	1	46.9406	-0.0306716	31.6836	HAL2	2814	0	0	0	0.09	
-2816	H12	SLES	1	47.4603	-1.13244	30.3518	HAL2	2814	0	0	0	0.09	
-2817	C2	SLES	1	46.4116	0.688909	29.6631	CTL2	2814	2818	2819	2820	-0.18	
-2818	H21	SLES	1	46.2243	1.75006	29.9555	HAL2	2817	0	0	0	0.09	
-2819	H22	SLES	1	46.7713	0.661981	28.6056	HAL2	2817	0	0	0	0.09	
-2820	C3	SLES	1	45.1505	-0.0705721	29.7584	CTL2	2817	2821	2822	2823	-0.18	
-2821	H31	SLES	1	44.8539	-0.00200562	30.8404	HAL2	2820	0	0	0	0.09	
-2822	H32	SLES	1	45.421	-1.1202	29.4569	HAL2	2820	0	0	0	0.09	
-2823	C4	SLES	1	43.9515	0.312422	28.9529	CTL2	2820	2824	2825	2826	-0.18	
-2824	H41	SLES	1	43.6122	1.34952	29.1959	HAL2	2823	0	0	0	0.09	
-2825	H42	SLES	1	44.1645	0.266707	27.8591	HAL2	2823	0	0	0	0.09	
-2826	C5	SLES	1	43.0004	-0.785032	29.449	CTL2	2823	2827	2828	2829	-0.18	
-2827	H51	SLES	1	42.8853	-0.731426	30.5643	HAL2	2826	0	0	0	0.09	
-2828	H52	SLES	1	43.4303	-1.8004	29.2426	HAL2	2826	0	0	0	0.09	
-2829	C6	SLES	1	41.6418	-0.792326	28.8945	CTL2	2826	2830	2831	2832	-0.18	
-2830	H61	SLES	1	40.9436	-0.739757	29.7736	HAL2	2829	0	0	0	0.09	
-2831	H62	SLES	1	41.4901	-1.81162	28.448	HAL2	2829	0	0	0	0.09	
-2832	C7	SLES	1	41.3044	0.29928	27.8717	CTL2	2829	2833	2834	2835	-0.18	
-2833	H71	SLES	1	41.3591	1.33595	28.2803	HAL2	2832	0	0	0	0.09	
-2834	H72	SLES	1	41.9122	0.250531	26.9385	HAL2	2832	0	0	0	0.09	
-2835	C8	SLES	1	39.8932	-0.0712677	27.5912	CTL2	2832	2836	2837	2838	-0.18	
-2836	H81	SLES	1	39.3505	-0.0213796	28.5766	HAL2	2835	0	0	0	0.09	
-2837	H82	SLES	1	39.916	-1.13052	27.2066	HAL2	2835	0	0	0	0.09	
-2838	C9	SLES	1	39.085	0.716524	26.6201	CTL2	2835	2839	2840	2841	-0.18	
-2839	H91	SLES	1	39.0033	1.77424	26.9566	HAL2	2838	0	0	0	0.09	
-2840	H92	SLES	1	39.5576	0.685989	25.6127	HAL2	2838	0	0	0	0.09	
-2841	C10	SLES	1	37.7614	-0.0423176	26.6884	CTL2	2838	2842	2843	2844	-0.18	
-2842	H10	SLES	1	37.3732	-0.0391775	27.7427	HAL2	2841	0	0	0	0.09	
-2843	H10	SLES	1	37.9235	-1.11881	26.4085	HAL2	2841	0	0	0	0.09	
-2844	C11	SLES	1	36.6787	0.492708	25.8085	CTL2	2841	2845	2846	2847	-0.18	
-2845	H11	SLES	1	36.5054	1.55386	26.1035	HAL2	2844	0	0	0	0.09	
-2846	H11	SLES	1	37.0593	0.468091	24.7612	HAL2	2844	0	0	0	0.09	
-2847	C12	SLES	1	35.4189	-0.360704	25.9802	CTL3	2844	2848	2849	2850	-0.27	
-2848	H12	SLES	1	34.5889	0.261463	26.3678	HAL3	2847	0	0	0	0.09	
-2849	H12	SLES	1	35.1461	-0.832578	25.0162	HAL3	2847	0	0	0	0.09	
-2850	H12	SLES	1	35.5641	-1.19245	26.7127	HAL3	2847	0	0	0	0.09	
-2851	NA	SLES	1	54.9729	16.0387	32.9446	NA	0	0	0	0	1	
-2852	S	SLES	1	53.6588	13.9016	34.6417	SL	2853	2854	2855	2856	1.33	
-2853	OS1	SLES	1	52.7015	14.1613	33.5529	OSL	2852	2857	0	0	-0.28	
-2854	OS2	SLES	1	53.6383	15.2942	35.0301	O2L	2852	0	0	0	-0.65	
-2855	OS3	SLES	1	54.6878	13.5456	33.6921	O2L	2852	0	0	0	-0.65	
-2856	OS4	SLES	1	53.0671	12.902	35.4859	O2L	2852	0	0	0	-0.65	
-2857	C2	SLES	1	51.4926	13.5532	33.3295	CC32A	2853	2858	2859	2860	-0.11	
-2858	H2A	SLES	1	50.8002	13.7142	34.1977	HCA2	2857	0	0	0	0.09	
-2859	H2B	SLES	1	51.6243	12.4534	33.1487	HCA2	2857	0	0	0	0.09	
-2860	C1	SLES	1	50.993	14.283	32.064	CC32A	2857	2861	2862	2863	-0.01	
-2861	H1B	SLES	1	50.8968	15.3844	32.2482	HCA2	2860	0	0	0	0.09	
-2862	H1A	SLES	1	51.6951	14.123	31.2092	HCA2	2860	0	0	0	0.09	
-2863	O1	SLES	1	49.7587	13.9277	31.5307	OC30A	2860	2864	0	0	-0.34	
-2864	C2	SLES	1	49.0123	12.9236	32.1936	CC32A	2863	2865	2866	2867	-0.01	
-2865	H2A	SLES	1	48.7899	13.2344	33.2545	HCA2	2864	0	0	0	0.09	
-2866	H2B	SLES	1	49.5676	11.9568	32.2188	HCA2	2864	0	0	0	0.09	
-2867	C1	SLES	1	47.8513	13.2367	31.1813	CC32A	2864	2868	2869	2870	-0.01	
-2868	H1B	SLES	1	47.1948	13.5239	32.0132	HCA2	2867	0	0	0	0.09	
-2869	H1A	SLES	1	48.0947	12.1591	30.8621	HCA2	2867	0	0	0	0.09	
-2870	O1	SLES	1	46.8157	13.0301	30.2557	OC30A	2867	2871	0	0	-0.34	
-2871	C1	SLES	1	45.7273	12.2026	30.6413	CTL2	2870	2872	2873	2874	-0.18	
-2872	H11	SLES	1	45.2835	12.41	31.6549	HAL2	2871	0	0	0	0.09	
-2873	H12	SLES	1	46.0333	11.1262	30.6316	HAL2	2871	0	0	0	0.09	
-2874	C2	SLES	1	44.7521	12.5413	29.5147	CTL2	2871	2875	2876	2877	-0.18	
-2875	H21	SLES	1	44.3888	13.5967	29.5426	HAL2	2874	0	0	0	0.09	
-2876	H22	SLES	1	45.1643	12.3261	28.4988	HAL2	2874	0	0	0	0.09	
-2877	C3	SLES	1	43.6201	11.6314	29.7736	CTL2	2874	2878	2879	2880	-0.18	
-2878	H31	SLES	1	43.2625	11.9024	30.8042	HAL2	2877	0	0	0	0.09	
-2879	H32	SLES	1	44.0642	10.5984	29.7351	HAL2	2877	0	0	0	0.09	
-2880	C4	SLES	1	42.4184	11.6159	28.8856	CTL2	2877	2881	2882	2883	-0.18	
-2881	H41	SLES	1	41.9113	12.6121	28.8694	HAL2	2880	0	0	0	0.09	
-2882	H42	SLES	1	42.6906	11.3505	27.8371	HAL2	2880	0	0	0	0.09	
-2883	C5	SLES	1	41.6243	10.526	29.6182	CTL2	2880	2884	2885	2886	-0.18	
-2884	H51	SLES	1	41.4464	10.8199	30.6868	HAL2	2883	0	0	0	0.09	
-2885	H52	SLES	1	42.2156	9.57392	29.6657	HAL2	2883	0	0	0	0.09	
-2886	C6	SLES	1	40.3127	10.1693	29.0652	CTL2	2883	2887	2888	2889	-0.18	
-2887	H61	SLES	1	39.5715	10.3125	29.8977	HAL2	2886	0	0	0	0.09	
-2888	H62	SLES	1	40.3428	9.06312	28.8736	HAL2	2886	0	0	0	0.09	
-2889	C7	SLES	1	39.8628	10.9218	27.8071	CTL2	2886	2890	2891	2892	-0.18	
-2890	H71	SLES	1	39.7362	12.0201	27.9565	HAL2	2889	0	0	0	0.09	
-2891	H72	SLES	1	40.5169	10.7549	26.9199	HAL2	2889	0	0	0	0.09	
-2892	C8	SLES	1	38.5415	10.2725	27.6063	CTL2	2889	2893	2894	2895	-0.18	
-2893	H81	SLES	1	37.9488	10.4631	28.5446	HAL2	2892	0	0	0	0.09	
-2894	H82	SLES	1	38.7468	9.17068	27.4864	HAL2	2892	0	0	0	0.09	
-2895	C9	SLES	1	37.6713	10.6695	26.4653	CTL2	2892	2896	2897	2898	-0.18	
-2896	H91	SLES	1	37.4105	11.7491	26.5382	HAL2	2895	0	0	0	0.09	
-2897	H92	SLES	1	38.1929	10.4809	25.5002	HAL2	2895	0	0	0	0.09	
-2898	C10	SLES	1	36.4788	9.74382	26.6971	CTL2	2895	2899	2900	2901	-0.18	
-2899	H10	SLES	1	36.0424	9.93081	27.7153	HAL2	2898	0	0	0	0.09	
-2900	H10	SLES	1	36.819	8.67257	26.6848	HAL2	2898	0	0	0	0.09	
-2901	C11	SLES	1	35.3722	9.87552	25.7019	CTL2	2898	2902	2903	2904	-0.18	
-2902	H11	SLES	1	35.0226	10.9338	25.7325	HAL2	2901	0	0	0	0.09	
-2903	H11	SLES	1	35.8042	9.66835	24.6955	HAL2	2901	0	0	0	0.09	
-2904	C12	SLES	1	34.2521	8.89368	26.0575	CTL3	2901	2905	2906	2907	-0.27	
-2905	H12	SLES	1	33.3177	9.44651	26.275	HAL3	2904	0	0	0	0.09	
-2906	H12	SLES	1	34.1042	8.17149	25.231	HAL3	2904	0	0	0	0.09	
-2907	H12	SLES	1	34.4869	8.29128	26.9693	HAL3	2904	0	0	0	0.09	
-2908	NA	SLES	1	49.2717	29.3684	32.6938	NA	0	0	0	0	1	
-2909	S	SLES	1	48.1106	27.452	34.7318	SL	2910	2911	2912	2913	1.33	
-2910	OS1	SLES	1	47.2501	27.3088	33.5451	OSL	2909	2914	0	0	-0.28	
-2911	OS2	SLES	1	47.8423	28.8716	34.7901	O2L	2909	0	0	0	-0.65	
-2912	OS3	SLES	1	49.2784	27.0803	33.9666	O2L	2909	0	0	0	-0.65	
-2913	OS4	SLES	1	47.5846	26.5703	35.7357	O2L	2909	0	0	0	-0.65	
-2914	C2	SLES	1	46.176	26.4724	33.3779	CC32A	2910	2915	2916	2917	-0.11	
-2915	H2A	SLES	1	45.3769	26.6958	34.1333	HCA2	2914	0	0	0	0.09	
-2916	H2B	SLES	1	46.4878	25.3976	33.4626	HCA2	2914	0	0	0	0.09	
-2917	C1	SLES	1	45.7152	26.8209	31.9462	CC32A	2914	2918	2919	2920	-0.01	
-2918	H1B	SLES	1	45.4377	27.904	31.8671	HCA2	2917	0	0	0	0.09	
-2919	H1A	SLES	1	46.5222	26.603	31.2044	HCA2	2917	0	0	0	0.09	
-2920	O1	SLES	1	44.6126	26.1576	31.4187	OC30A	2917	2921	0	0	-0.34	
-2921	C2	SLES	1	43.955	25.2068	32.2362	CC32A	2920	2922	2923	2924	-0.01	
-2922	H2A	SLES	1	43.5746	25.6945	33.179	HCA2	2921	0	0	0	0.09	
-2923	H2B	SLES	1	44.641	24.3752	32.5218	HCA2	2921	0	0	0	0.09	
-2924	C1	SLES	1	42.8779	25.0969	31.0966	CC32A	2921	2925	2926	2927	-0.01	
-2925	H1B	SLES	1	42.0993	25.44	31.7906	HCA2	2924	0	0	0	0.09	
-2926	H1A	SLES	1	43.3113	24.0328	31.0501	HCA2	2924	0	0	0	0.09	
-2927	O1	SLES	1	41.9914	24.5264	30.1689	OC30A	2924	2928	0	0	-0.34	
-2928	C1	SLES	1	41.0018	23.629	30.6518	CTL2	2927	2929	2930	2931	-0.18	
-2929	H11	SLES	1	40.4243	23.9699	31.556	HAL2	2928	0	0	0	0.09	
-2930	H12	SLES	1	41.4628	22.6424	30.9101	HAL2	2928	0	0	0	0.09	
-2931	C2	SLES	1	40.1161	23.5506	29.409	CTL2	2928	2932	2933	2934	-0.18	
-2932	H21	SLES	1	39.5999	24.5111	29.169	HAL2	2931	0	0	0	0.09	
-2933	H22	SLES	1	40.664	23.1964	28.502	HAL2	2931	0	0	0	0.09	
-2934	C3	SLES	1	39.1097	22.5395	29.7845	CTL2	2931	2935	2936	2937	-0.18	
-2935	H31	SLES	1	38.6056	22.9597	30.6971	HAL2	2934	0	0	0	0.09	
-2936	H32	SLES	1	39.703	21.6119	30.0152	HAL2	2934	0	0	0	0.09	
-2937	C4	SLES	1	38.0276	22.133	28.8375	CTL2	2934	2938	2939	2940	-0.18	
-2938	H41	SLES	1	37.3836	23.0029	28.5575	HAL2	2937	0	0	0	0.09	
-2939	H42	SLES	1	38.4488	21.7	27.8999	HAL2	2937	0	0	0	0.09	
-2940	C5	SLES	1	37.3282	21.1065	29.7387	CTL2	2937	2941	2942	2943	-0.18	
-2941	H51	SLES	1	36.9932	21.5871	30.6963	HAL2	2940	0	0	0	0.09	
-2942	H52	SLES	1	38.045	20.2999	30.0453	HAL2	2940	0	0	0	0.09	
-2943	C6	SLES	1	36.152	20.4246	29.1867	CTL2	2940	2944	2945	2946	-0.18	
-2944	H61	SLES	1	35.3114	20.615	29.9078	HAL2	2943	0	0	0	0.09	
-2945	H62	SLES	1	36.3659	19.3242	29.2549	HAL2	2943	0	0	0	0.09	
-2946	C7	SLES	1	35.7357	20.8048	27.7606	CTL2	2943	2947	2948	2949	-0.18	
-2947	H71	SLES	1	35.4327	21.8724	27.6462	HAL2	2946	0	0	0	0.09	
-2948	H72	SLES	1	36.5002	20.5654	26.9854	HAL2	2946	0	0	0	0.09	
-2949	C8	SLES	1	34.5549	19.9147	27.6165	CTL2	2946	2950	2951	2952	-0.18	
-2950	H81	SLES	1	33.8416	20.1983	28.4404	HAL2	2949	0	0	0	0.09	
-2951	H82	SLES	1	34.9326	18.8633	27.7663	HAL2	2949	0	0	0	0.09	
-2952	C9	SLES	1	33.7653	19.9072	26.3542	CTL2	2949	2953	2954	2955	-0.18	
-2953	H91	SLES	1	33.3414	20.9177	26.1598	HAL2	2952	0	0	0	0.09	
-2954	H92	SLES	1	34.4112	19.6078	25.4985	HAL2	2952	0	0	0	0.09	
-2955	C10	SLES	1	32.7047	18.8648	26.7025	CTL2	2952	2956	2957	2958	-0.18	
-2956	H10	SLES	1	32.1369	19.1883	27.6164	HAL2	2955	0	0	0	0.09	
-2957	H10	SLES	1	33.1988	17.8885	26.9596	HAL2	2955	0	0	0	0.09	
-2958	C11	SLES	1	31.706	18.5932	25.6249	CTL2	2955	2959	2960	2961	-0.18	
-2959	H11	SLES	1	31.2026	19.5593	25.3877	HAL2	2958	0	0	0	0.09	
-2960	H11	SLES	1	32.2711	18.2521	24.7267	HAL2	2958	0	0	0	0.09	
-2961	C12	SLES	1	30.7113	17.5354	26.1115	CTL3	2958	2962	2963	2964	-0.27	
-2962	H12	SLES	1	29.6874	17.9565	26.128	HAL3	2961	0	0	0	0.09	
-2963	H12	SLES	1	30.7629	16.6394	25.4627	HAL3	2961	0	0	0	0.09	
-2964	H12	SLES	1	30.9317	17.1895	27.1513	HAL3	2961	0	0	0	0.09	
-2965	NA	SLES	1	40.3981	40.7904	32.563	NA	0	0	0	0	1	
-2966	S	SLES	1	39.2132	39.0956	34.7761	SL	2967	2968	2969	2970	1.33	
-2967	OS1	SLES	1	38.5841	38.5979	33.5409	OSL	2966	2971	0	0	-0.28	
-2968	OS2	SLES	1	38.7373	40.4353	34.5124	O2L	2966	0	0	0	-0.65	
-2969	OS3	SLES	1	40.5298	38.8006	34.2597	O2L	2966	0	0	0	-0.65	
-2970	OS4	SLES	1	38.6654	38.3291	35.8597	O2L	2966	0	0	0	-0.65	
-2971	C2	SLES	1	37.6826	37.573	33.4071	CC32A	2967	2972	2973	2974	-0.11	
-2972	H2A	SLES	1	36.7488	37.786	33.9917	HCA2	2971	0	0	0	0.09	
-2973	H2B	SLES	1	38.1282	36.6003	33.746	HCA2	2971	0	0	0	0.09	
-2974	C1	SLES	1	37.4123	37.577	31.8871	CC32A	2971	2975	2976	2977	-0.01	
-2975	H1B	SLES	1	36.9981	38.5647	31.5564	HCA2	2974	0	0	0	0.09	
-2976	H1A	SLES	1	38.3509	37.3731	31.3155	HCA2	2974	0	0	0	0.09	
-2977	O1	SLES	1	36.5159	36.6508	31.3649	OC30A	2974	2978	0	0	-0.34	
-2978	C2	SLES	1	35.8795	35.7615	32.2643	CC32A	2977	2979	2980	2981	-0.01	
-2979	H2A	SLES	1	35.2864	36.3361	33.0322	HCA2	2978	0	0	0	0.09	
-2980	H2B	SLES	1	36.6233	35.1246	32.7979	HCA2	2978	0	0	0	0.09	
-2981	C1	SLES	1	35.0266	35.2673	31.0399	CC32A	2978	2982	2983	2984	-0.01	
-2982	H1B	SLES	1	34.1054	35.589	31.5436	HCA2	2981	0	0	0	0.09	
-2983	H1A	SLES	1	35.6105	34.3026	31.265	HCA2	2981	0	0	0	0.09	
-2984	O1	SLES	1	34.3921	34.3972	30.1387	OC30A	2981	2985	0	0	-0.34	
-2985	C1	SLES	1	33.4775	33.443	30.6593	CTL2	2984	2986	2987	2988	-0.18	
-2986	H11	SLES	1	32.7194	33.8345	31.3936	HAL2	2985	0	0	0	0.09	
-2987	H12	SLES	1	34.0283	32.6124	31.1684	HAL2	2985	0	0	0	0.09	
-2988	C2	SLES	1	32.8235	32.9939	29.3534	CTL2	2985	2989	2990	2991	-0.18	
-2989	H21	SLES	1	32.2197	33.7931	28.86	HAL2	2988	0	0	0	0.09	
-2990	H22	SLES	1	33.5551	32.584	28.6151	HAL2	2988	0	0	0	0.09	
-2991	C3	SLES	1	31.9261	31.9076	29.7904	CTL2	2988	2992	2993	2994	-0.18	
-2992	H31	SLES	1	31.2268	32.3901	30.5264	HAL2	2991	0	0	0	0.09	
-2993	H32	SLES	1	32.6021	31.152	30.278	HAL2	2991	0	0	0	0.09	
-2994	C4	SLES	1	31.0801	31.1593	28.8119	CTL2	2991	2995	2996	2997	-0.18	
-2995	H41	SLES	1	30.371	31.8416	28.2815	HAL2	2994	0	0	0	0.09	
-2996	H42	SLES	1	31.7043	30.6458	28.0435	HAL2	2994	0	0	0	0.09	
-2997	C5	SLES	1	30.4003	30.2044	29.8024	CTL2	2994	2998	2999	3000	-0.18	
-2998	H51	SLES	1	29.8503	30.7824	30.592	HAL2	2997	0	0	0	0.09	
-2999	H52	SLES	1	31.1672	29.6007	30.3555	HAL2	2997	0	0	0	0.09	
-3000	C6	SLES	1	29.4387	29.2431	29.2507	CTL2	2997	3001	3002	3003	-0.18	
-3001	H61	SLES	1	28.4747	29.411	29.8033	HAL2	3000	0	0	0	0.09	
-3002	H62	SLES	1	29.7952	28.2259	29.566	HAL2	3000	0	0	0	0.09	
-3003	C7	SLES	1	29.2065	29.2867	27.7355	CTL2	3000	3004	3005	3006	-0.18	
-3004	H71	SLES	1	28.7751	30.2485	27.3704	HAL2	3003	0	0	0	0.09	
-3005	H72	SLES	1	30.1119	29.0485	27.1303	HAL2	3003	0	0	0	0.09	
-3006	C8	SLES	1	28.2048	28.1953	27.621	CTL2	3003	3007	3008	3009	-0.18	
-3007	H81	SLES	1	27.3351	28.4937	28.2713	HAL2	3006	0	0	0	0.09	
-3008	H82	SLES	1	28.701	27.2682	28.0269	HAL2	3006	0	0	0	0.09	
-3009	C9	SLES	1	27.6375	27.8279	26.2944	CTL2	3006	3010	3011	3012	-0.18	
-3010	H91	SLES	1	27.1092	28.6996	25.8473	HAL2	3009	0	0	0	0.09	
-3011	H92	SLES	1	28.4488	27.4971	25.6077	HAL2	3009	0	0	0	0.09	
-3012	C10	SLES	1	26.6961	26.6973	26.7042	CTL2	3009	3013	3014	3015	-0.18	
-3013	H10	SLES	1	25.9483	27.0752	27.4527	HAL2	3012	0	0	0	0.09	
-3014	H10	SLES	1	27.2779	25.882	27.2144	HAL2	3012	0	0	0	0.09	
-3015	C11	SLES	1	25.933	26.0707	25.5827	CTL2	3012	3016	3017	3018	-0.18	
-3016	H11	SLES	1	25.3404	26.8781	25.0928	HAL2	3015	0	0	0	0.09	
-3017	H11	SLES	1	26.6782	25.678	24.8527	HAL2	3015	0	0	0	0.09	
-3018	C12	SLES	1	25.0361	24.961	26.1385	CTL3	3015	3019	3020	3021	-0.27	
-3019	H12	SLES	1	23.9729	25.1957	25.9368	HAL3	3018	0	0	0	0.09	
-3020	H12	SLES	1	25.3196	23.9865	25.6955	HAL3	3018	0	0	0	0.09	
-3021	H12	SLES	1	25.1341	24.8485	27.2463	HAL3	3018	0	0	0	0.09	
-3022	NA	SLES	1	28.9318	49.5872	32.5611	NA	0	0	0	0	1	
-3023	S	SLES	1	27.5829	48.0161	34.7716	SL	3024	3025	3026	3027	1.33	
-3024	OS1	SLES	1	27.2934	47.2612	33.5404	OSL	3023	3028	0	0	-0.28	
-3025	OS2	SLES	1	26.9818	49.208	34.2159	O2L	3023	0	0	0	-0.65	
-3026	OS3	SLES	1	29.0049	47.8875	34.5514	O2L	3023	0	0	0	-0.65	
-3027	OS4	SLES	1	26.9446	47.3141	35.8495	O2L	3023	0	0	0	-0.65	
-3028	C2	SLES	1	26.5944	46.0878	33.415	CC32A	3024	3029	3030	3031	-0.11	
-3029	H2A	SLES	1	25.5415	46.2111	33.7825	HCA2	3028	0	0	0	0.09	
-3030	H2B	SLES	1	27.0982	45.2588	33.9793	HCA2	3028	0	0	0	0.09	
-3031	C1	SLES	1	26.6376	45.8477	31.8905	CC32A	3028	3032	3033	3034	-0.01	
-3032	H1B	SLES	1	26.1604	46.6978	31.3373	HCA2	3031	0	0	0	0.09	
-3033	H1A	SLES	1	27.6913	45.7358	31.535	HCA2	3031	0	0	0	0.09	
-3034	O1	SLES	1	26.0074	44.7211	31.373	OC30A	3031	3035	0	0	-0.34	
-3035	C2	SLES	1	25.3381	43.8601	32.2761	CC32A	3034	3036	3037	3038	-0.01	
-3036	H2A	SLES	1	24.5263	44.4189	32.824	HCA2	3035	0	0	0	0.09	
-3037	H2B	SLES	1	26.0432	43.4356	33.0285	HCA2	3035	0	0	0	0.09	
-3038	C1	SLES	1	24.829	43.0716	31.0152	CC32A	3035	3039	3040	3041	-0.01	
-3039	H1B	SLES	1	23.7889	43.2926	31.2889	HCA2	3038	0	0	0	0.09	
-3040	H1A	SLES	1	25.4885	42.2593	31.4923	HCA2	3038	0	0	0	0.09	
-3041	O1	SLES	1	24.5208	41.9955	30.1672	OC30A	3038	3042	0	0	-0.34	
-3042	C1	SLES	1	23.6674	40.9741	30.6634	CTL2	3041	3043	3044	3045	-0.18	
-3043	H11	SLES	1	22.7288	41.3213	31.1789	HAL2	3042	0	0	0	0.09	
-3044	H12	SLES	1	24.2183	40.3239	31.3889	HAL2	3042	0	0	0	0.09	
-3045	C2	SLES	1	23.3609	40.2532	29.3514	CTL2	3042	3046	3047	3048	-0.18	
-3046	H21	SLES	1	22.7599	40.8654	28.6369	HAL2	3045	0	0	0	0.09	
-3047	H22	SLES	1	24.2773	39.8828	28.8304	HAL2	3045	0	0	0	0.09	
-3048	C3	SLES	1	22.56	39.0948	29.7908	CTL2	3045	3049	3050	3051	-0.18	
-3049	H31	SLES	1	21.665	39.5412	30.3037	HAL2	3048	0	0	0	0.09	
-3050	H32	SLES	1	23.2258	38.5367	30.5056	HAL2	3048	0	0	0	0.09	
-3051	C4	SLES	1	22.0448	38.0913	28.8107	CTL2	3048	3052	3053	3054	-0.18	
-3052	H41	SLES	1	21.3661	38.5665	28.0602	HAL2	3051	0	0	0	0.09	
-3053	H42	SLES	1	22.8781	37.5974	28.2579	HAL2	3051	0	0	0	0.09	
-3054	C5	SLES	1	21.3246	37.1706	29.805	CTL2	3051	3055	3056	3057	-0.18	
-3055	H51	SLES	1	20.5496	37.743	30.381	HAL2	3054	0	0	0	0.09	
-3056	H52	SLES	1	22.0434	36.785	30.5751	HAL2	3054	0	0	0	0.09	
-3057	C6	SLES	1	20.6422	35.9947	29.2528	CTL2	3054	3058	3059	3060	-0.18	
-3058	H61	SLES	1	19.5729	36.0645	29.5912	HAL2	3057	0	0	0	0.09	
-3059	H62	SLES	1	21.0708	35.1037	29.7856	HAL2	3057	0	0	0	0.09	
-3060	C7	SLES	1	20.7156	35.8002	27.7335	CTL2	3057	3061	3062	3063	-0.18	
-3061	H71	SLES	1	20.2325	36.6178	27.1479	HAL2	3060	0	0	0	0.09	
-3062	H72	SLES	1	21.7488	35.6449	27.345	HAL2	3060	0	0	0	0.09	
-3063	C8	SLES	1	19.9252	34.5473	27.6197	CTL2	3060	3064	3065	3066	-0.18	
-3064	H81	SLES	1	18.9089	34.7735	28.0487	HAL2	3063	0	0	0	0.09	
-3065	H82	SLES	1	20.458	33.7802	28.2508	HAL2	3063	0	0	0	0.09	
-3066	C9	SLES	1	19.6952	33.9184	26.2898	CTL2	3063	3067	3068	3069	-0.18	
-3067	H91	SLES	1	19.1477	34.6205	25.622	HAL2	3066	0	0	0	0.09	
-3068	H92	SLES	1	20.667	33.6458	25.8203	HAL2	3066	0	0	0	0.09	
-3069	C10	SLES	1	18.8635	32.7056	26.7021	CTL2	3066	3070	3071	3072	-0.18	
-3070	H10	SLES	1	17.9341	33.0433	27.2354	HAL2	3069	0	0	0	0.09	
-3071	H10	SLES	1	19.4421	32.076	27.4317	HAL2	3069	0	0	0	0.09	
-3072	C11	SLES	1	18.4399	31.8167	25.5783	CTL2	3069	3073	3074	3075	-0.18	
-3073	H11	SLES	1	17.848	32.4394	24.8677	HAL2	3072	0	0	0	0.09	
-3074	H11	SLES	1	19.3653	31.4666	25.0649	HAL2	3072	0	0	0	0.09	
-3075	C12	SLES	1	17.6189	30.651	26.1368	CTL3	3072	3076	3077	3078	-0.27	
-3076	H12	SLES	1	16.5955	30.6709	25.7145	HAL3	3075	0	0	0	0.09	
-3077	H12	SLES	1	18.1231	29.6906	25.9135	HAL3	3075	0	0	0	0.09	
-3078	H12	SLES	1	17.5074	30.702	27.2479	HAL3	3075	0	0	0	0.09	
-3079	NA	SLES	1	15.6021	55.1998	32.6883	NA	0	0	0	0	1	
-3080	S	SLES	1	14.0324	53.5908	34.7185	SL	3081	3082	3083	3084	1.33	
-3081	OS1	SLES	1	14.1459	52.7095	33.5438	OSL	3080	3085	0	0	-0.28	
-3082	OS2	SLES	1	13.4044	54.6203	33.9208	O2L	3080	0	0	0	-0.65	
-3083	OS3	SLES	1	15.4702	53.6876	34.8218	O2L	3080	0	0	0	-0.65	
-3084	OS4	SLES	1	13.2763	52.8726	35.7056	O2L	3080	0	0	0	-0.65	
-3085	C2	SLES	1	13.6752	51.4292	33.4011	CC32A	3081	3086	3087	3088	-0.11	
-3086	H2A	SLES	1	12.5599	51.4001	33.5201	HCA2	3085	0	0	0	0.09	
-3087	H2B	SLES	1	14.154	50.7406	34.1469	HCA2	3085	0	0	0	0.09	
-3088	C1	SLES	1	14.0996	51.0883	31.9564	CC32A	3085	3089	3090	3091	-0.01	
-3089	H1B	SLES	1	13.6408	51.8029	31.2248	HCA2	3088	0	0	0	0.09	
-3090	H1A	SLES	1	15.2112	51.1296	31.848	HCA2	3088	0	0	0	0.09	
-3091	O1	SLES	1	13.7776	49.8367	31.4426	OC30A	3088	3092	0	0	-0.34	
-3092	C2	SLES	1	13.0549	48.9441	32.2707	CC32A	3091	3093	3094	3095	-0.01	
-3093	H2A	SLES	1	12.0662	49.397	32.5687	HCA2	3092	0	0	0	0.09	
-3094	H2B	SLES	1	13.6248	48.7009	33.1979	HCA2	3092	0	0	0	0.09	
-3095	C1	SLES	1	12.9688	47.9906	31.024	CC32A	3092	3096	3097	3098	-0.01	
-3096	H1B	SLES	1	11.8727	48.0528	31.0441	HCA2	3095	0	0	0	0.09	
-3097	H1A	SLES	1	13.6148	47.3382	31.7165	HCA2	3095	0	0	0	0.09	
-3098	O1	SLES	1	13.0245	46.8186	30.2524	OC30A	3095	3099	0	0	-0.34	
-3099	C1	SLES	1	12.241	45.7073	30.6638	CTL2	3098	3100	3101	3102	-0.18	
-3100	H11	SLES	1	11.1689	45.9285	30.9264	HAL2	3099	0	0	0	0.09	
-3101	H12	SLES	1	12.7021	45.2144	31.5566	HAL2	3099	0	0	0	0.09	
-3102	C2	SLES	1	12.3516	44.8506	29.4034	CTL2	3099	3103	3104	3105	-0.18	
-3103	H21	SLES	1	11.8455	45.2988	28.5147	HAL2	3102	0	0	0	0.09	
-3104	H22	SLES	1	13.407	44.6026	29.1332	HAL2	3102	0	0	0	0.09	
-3105	C3	SLES	1	11.6519	43.6094	29.7857	CTL2	3102	3106	3107	3108	-0.18	
-3106	H31	SLES	1	10.6077	43.9352	30.0442	HAL2	3105	0	0	0	0.09	
-3107	H32	SLES	1	12.2123	43.2255	30.6825	HAL2	3105	0	0	0	0.09	
-3108	C4	SLES	1	11.5277	42.4642	28.8338	CTL2	3105	3109	3110	3111	-0.18	
-3109	H41	SLES	1	10.9753	42.7619	27.9086	HAL2	3108	0	0	0	0.09	
-3110	H42	SLES	1	12.5286	42.0783	28.5286	HAL2	3108	0	0	0	0.09	
-3111	C5	SLES	1	10.7441	41.511	29.7462	CTL2	3108	3112	3113	3114	-0.18	
-3112	H51	SLES	1	9.78241	41.9855	30.0779	HAL2	3111	0	0	0	0.09	
-3113	H52	SLES	1	11.3174	41.3096	30.6891	HAL2	3111	0	0	0	0.09	
-3114	C6	SLES	1	10.387	40.1996	29.193	CTL2	3111	3115	3116	3117	-0.18	
-3115	H61	SLES	1	9.27042	40.1131	29.286	HAL2	3114	0	0	0	0.09	
-3116	H62	SLES	1	10.8097	39.4351	29.8988	HAL2	3114	0	0	0	0.09	
-3117	C7	SLES	1	10.8325	39.9091	27.7547	CTL2	3114	3118	3119	3120	-0.18	
-3118	H71	SLES	1	10.3802	40.5884	26.994	HAL2	3117	0	0	0	0.09	
-3119	H72	SLES	1	11.9384	39.9019	27.6146	HAL2	3117	0	0	0	0.09	
-3120	C8	SLES	1	10.283	38.536	27.6125	CTL2	3117	3121	3122	3123	-0.18	
-3121	H81	SLES	1	9.17371	38.6188	27.7877	HAL2	3120	0	0	0	0.09	
-3122	H82	SLES	1	10.7653	37.9182	28.4225	HAL2	3120	0	0	0	0.09	
-3123	C9	SLES	1	10.4576	37.7814	26.3409	CTL2	3120	3124	3125	3126	-0.18	
-3124	H91	SLES	1	9.97908	38.3303	25.4992	HAL2	3123	0	0	0	0.09	
-3125	H92	SLES	1	11.5402	37.6425	26.1219	HAL2	3123	0	0	0	0.09	
-3126	C10	SLES	1	9.74249	36.4795	26.6963	CTL2	3123	3127	3128	3129	-0.18	
-3127	H10	SLES	1	8.67656	36.6942	26.9791	HAL2	3126	0	0	0	0.09	
-3128	H10	SLES	1	10.2262	36.0117	27.5967	HAL2	3126	0	0	0	0.09	
-3129	C11	SLES	1	9.72227	35.4518	25.612	CTL2	3126	3130	3131	3132	-0.18	
-3130	H11	SLES	1	9.22242	35.9119	24.7279	HAL2	3129	0	0	0	0.09	
-3131	H11	SLES	1	10.7816	35.2257	25.3489	HAL2	3129	0	0	0	0.09	
-3132	C12	SLES	1	8.97717	34.2087	26.1065	CTL3	3129	3133	3134	3135	-0.27	
-3133	H12	SLES	1	8.08554	34.0249	25.4761	HAL3	3132	0	0	0	0.09	
-3134	H12	SLES	1	9.65525	33.3332	26.1019	HAL3	3132	0	0	0	0.09	
-3135	H12	SLES	1	8.60915	34.3218	27.1559	HAL3	3132	0	0	0	0.09	
-3136	NA	SLES	1	1.2519	57.2544	32.9359	NA	0	0	0	0	1	
-3137	S	SLES	1	-0.48998	55.4372	34.6204	SL	3138	3139	3140	3141	1.33	
-3138	OS1	SLES	1	0.0356554	54.5718	33.5508	OSL	3137	3142	0	0	-0.28	
-3139	OS2	SLES	1	-1.06018	56.3418	33.6472	O2L	3137	0	0	0	-0.65	
-3140	OS3	SLES	1	0.848698	55.7667	35.0524	O2L	3137	0	0	0	-0.65	
-3141	OS4	SLES	1	-1.34	54.618	35.438	O2L	3137	0	0	0	-0.65	
-3142	C2	SLES	1	-0.183811	53.2305	33.3664	CC32A	3138	3143	3144	3145	-0.11	
-3143	H2A	SLES	1	-1.27696	53.0227	33.2223	HCA2	3142	0	0	0	0.09	
-3144	H2B	SLES	1	0.203164	52.6376	34.2372	HCA2	3142	0	0	0	0.09	
-3145	C1	SLES	1	0.621073	52.9455	32.0802	CC32A	3142	3146	3147	3148	-0.01	
-3146	H1B	SLES	1	0.245908	53.5675	31.2266	HCA2	3145	0	0	0	0.09	
-3147	H1A	SLES	1	1.7063	53.1649	32.2331	HCA2	3145	0	0	0	0.09	
-3148	O1	SLES	1	0.6284	51.6522	31.5688	OC30A	3145	3149	0	0	-0.34	
-3149	C2	SLES	1	-0.124691	50.6644	32.2485	CC32A	3148	3150	3151	3152	-0.01	
-3150	H2A	SLES	1	-1.21367	50.9548	32.2837	HCA2	3149	0	0	0	0.09	
-3151	H2B	SLES	1	0.23748	50.5278	33.2943	HCA2	3149	0	0	0	0.09	
-3152	C1	SLES	1	0.238069	49.6946	31.0659	CC32A	3149	3153	3154	3155	-0.01	
-3153	H1B	SLES	1	-0.827066	49.5788	30.8256	HCA2	3152	0	0	0	0.09	
-3154	H1A	SLES	1	0.792486	49.1638	31.9222	HCA2	3152	0	0	0	0.09	
-3155	O1	SLES	1	0.656792	48.5378	30.3887	OC30A	3152	3156	0	0	-0.34	
-3156	C1	SLES	1	-0.0211082	47.3195	30.6605	CTL2	3155	3157	3158	3159	-0.18	
-3157	H11	SLES	1	-1.1458	47.3673	30.6534	HAL2	3156	0	0	0	0.09	
-3158	H12	SLES	1	0.28348	46.9184	31.66	HAL2	3156	0	0	0	0.09	
-3159	C2	SLES	1	0.518503	46.4768	29.5057	CTL2	3156	3160	3161	3162	-0.18	
-3160	H21	SLES	1	0.176663	46.8264	28.5019	HAL2	3159	0	0	0	0.09	
-3161	H22	SLES	1	1.63312	46.3997	29.5028	HAL2	3159	0	0	0	0.09	
-3162	C3	SLES	1	-0.0521241	45.1435	29.7754	CTL2	3159	3163	3164	3165	-0.18	
-3163	H31	SLES	1	-1.16526	45.299	29.7657	HAL2	3162	0	0	0	0.09	
-3164	H32	SLES	1	0.329941	44.8661	30.7966	HAL2	3162	0	0	0	0.09	
-3165	C4	SLES	1	0.233177	43.9819	28.8797	CTL2	3162	3166	3167	3168	-0.18	
-3166	H41	SLES	1	-0.121143	44.175	27.8372	HAL2	3165	0	0	0	0.09	
-3167	H42	SLES	1	1.32523	43.7594	28.8371	HAL2	3165	0	0	0	0.09	
-3168	C5	SLES	1	-0.589096	42.9254	29.63	CTL2	3165	3169	3170	3171	-0.18	
-3169	H51	SLES	1	-1.66356	43.242	29.7031	HAL2	3168	0	0	0	0.09	
-3170	H52	SLES	1	-0.233893	42.8309	30.6899	HAL2	3168	0	0	0	0.09	
-3171	C6	SLES	1	-0.596769	41.567	29.0752	CTL2	3168	3172	3173	3174	-0.18	
-3172	H61	SLES	1	-1.67606	41.302	28.9085	HAL2	3171	0	0	0	0.09	
-3173	H62	SLES	1	-0.242321	40.8896	29.8979	HAL2	3171	0	0	0	0.09	
-3174	C7	SLES	1	0.219079	41.3351	27.7976	CTL2	3171	3175	3176	3177	-0.18	
-3175	H71	SLES	1	-0.137471	41.923	26.919	HAL2	3174	0	0	0	0.09	
-3176	H72	SLES	1	1.31388	41.5053	27.9209	HAL2	3174	0	0	0	0.09	
-3177	C8	SLES	1	-0.0617829	39.8896	27.6	CTL2	3174	3178	3179	3180	-0.18	
-3178	H81	SLES	1	-1.1799	39.7938	27.5063	HAL2	3177	0	0	0	0.09	
-3179	H82	SLES	1	0.302254	39.3677	28.5303	HAL2	3177	0	0	0	0.09	
-3180	C9	SLES	1	0.526095	39.1579	26.4442	CTL2	3177	3181	3182	3183	-0.18	
-3181	H91	SLES	1	0.183926	39.6119	25.4874	HAL2	3180	0	0	0	0.09	
-3182	H92	SLES	1	1.63769	39.1934	26.4919	HAL2	3180	0	0	0	0.09	
-3183	C10	SLES	1	-0.0435056	37.7618	26.6873	CTL2	3180	3184	3185	3186	-0.18	
-3184	H10	SLES	1	-1.1661	37.8045	26.7015	HAL2	3183	0	0	0	0.09	
-3185	H10	SLES	1	0.277096	37.3893	27.6982	HAL2	3183	0	0	0	0.09	
-3186	C11	SLES	1	0.355008	36.7314	25.6813	CTL2	3183	3187	3188	3189	-0.18	
-3187	H11	SLES	1	0.0162057	37.0938	24.6829	HAL2	3186	0	0	0	0.09	
-3188	H11	SLES	1	1.46831	36.6765	25.6853	HAL2	3186	0	0	0	0.09	
-3189	C12	SLES	1	-0.285688	35.3902	26.0495	CTL3	3186	3190	3191	3192	-0.27	
-3190	H12	SLES	1	-0.961353	35.0569	25.238	HAL3	3189	0	0	0	0.09	
-3191	H12	SLES	1	0.500563	34.6359	26.2478	HAL3	3189	0	0	0	0.09	
-3192	H12	SLES	1	-0.906853	35.4548	26.9765	HAL3	3189	0	0	0	0.09	
-3193	NA	SLES	1	-13.2018	55.5862	33.287	NA	0	0	0	0	1	
-3194	S	SLES	1	-14.9719	53.4395	34.4842	SL	3195	3196	3197	3198	1.33	
-3195	OS1	SLES	1	-14.0775	52.7205	33.5609	OSL	3194	3199	0	0	-0.28	
-3196	OS2	SLES	1	-15.4371	54.2931	33.4138	O2L	3194	0	0	0	-0.65	
-3197	OS3	SLES	1	-13.843	53.9496	35.2277	O2L	3194	0	0	0	-0.65	
-3198	OS4	SLES	1	-15.8455	52.459	35.0648	O2L	3194	0	0	0	-0.65	
-3199	C2	SLES	1	-14.0276	51.3724	33.3132	CC32A	3195	3200	3201	3202	-0.11	
-3200	H2A	SLES	1	-15.0082	51.0059	32.9094	HCA2	3199	0	0	0	0.09	
-3201	H2B	SLES	1	-13.7645	50.8033	34.244	HCA2	3199	0	0	0	0.09	
-3202	C1	SLES	1	-12.9088	51.28	32.2534	CC32A	3199	3203	3204	3205	-0.01	
-3203	H1B	SLES	1	-13.1693	51.8788	31.3424	HCA2	3202	0	0	0	0.09	
-3204	H1A	SLES	1	-11.9398	51.6563	32.664	HCA2	3202	0	0	0	0.09	
-3205	O1	SLES	1	-12.5728	50.0307	31.7431	OC30A	3202	3206	0	0	-0.34	
-3206	C2	SLES	1	-13.2939	48.9056	32.2111	CC32A	3205	3207	3208	3209	-0.01	
-3207	H2A	SLES	1	-14.3931	49.0224	31.9883	HCA2	3206	0	0	0	0.09	
-3208	H2B	SLES	1	-13.1694	48.7742	33.3114	HCA2	3206	0	0	0	0.09	
-3209	C1	SLES	1	-12.5124	48.064	31.1379	CC32A	3206	3210	3211	3212	-0.01	
-3210	H1B	SLES	1	-13.4585	47.7975	30.6485	HCA2	3209	0	0	0	0.09	
-3211	H1A	SLES	1	-12.0954	47.5829	32.0955	HCA2	3209	0	0	0	0.09	
-3212	O1	SLES	1	-11.7652	47.0213	30.5665	OC30A	3209	3213	0	0	-0.34	
-3213	C1	SLES	1	-12.2815	45.7008	30.6538	CTL2	3212	3214	3215	3216	-0.18	
-3214	H11	SLES	1	-13.3658	45.5748	30.3784	HAL2	3213	0	0	0	0.09	
-3215	H12	SLES	1	-12.1586	45.3019	31.6921	HAL2	3213	0	0	0	0.09	
-3216	C2	SLES	1	-11.3575	45.0107	29.6513	CTL2	3213	3217	3218	3219	-0.18	
-3217	H21	SLES	1	-11.5068	45.3533	28.5992	HAL2	3216	0	0	0	0.09	
-3218	H22	SLES	1	-10.2758	45.1067	29.9142	HAL2	3216	0	0	0	0.09	
-3219	C3	SLES	1	-11.7518	43.5934	29.7607	CTL2	3216	3220	3221	3222	-0.18	
-3220	H31	SLES	1	-12.8418	43.5756	29.487	HAL2	3219	0	0	0	0.09	
-3221	H32	SLES	1	-11.5797	43.3273	30.8403	HAL2	3219	0	0	0	0.09	
-3222	C4	SLES	1	-11.0806	42.5362	28.9453	CTL2	3219	3223	3224	3225	-0.18	
-3223	H41	SLES	1	-11.2075	42.7245	27.8507	HAL2	3222	0	0	0	0.09	
-3224	H42	SLES	1	-9.98776	42.4874	29.1624	HAL2	3222	0	0	0	0.09	
-3225	C5	SLES	1	-11.8736	41.3292	29.4644	CTL2	3222	3226	3227	3228	-0.18	
-3226	H51	SLES	1	-12.9719	41.472	29.2823	HAL2	3225	0	0	0	0.09	
-3227	H52	SLES	1	-11.7658	41.2374	30.5773	HAL2	3225	0	0	0	0.09	
-3228	C6	SLES	1	-11.5312	40.0154	28.9076	CTL2	3225	3229	3230	3231	-0.18	
-3229	H61	SLES	1	-12.4839	39.5957	28.4845	HAL2	3228	0	0	0	0.09	
-3230	H62	SLES	1	-11.2743	39.3603	29.7829	HAL2	3228	0	0	0	0.09	
-3231	C7	SLES	1	-10.4125	39.9768	27.8594	CTL2	3228	3232	3233	3234	-0.18	
-3232	H71	SLES	1	-10.6438	40.5459	26.9282	HAL2	3231	0	0	0	0.09	
-3233	H72	SLES	1	-9.41933	40.3074	28.2429	HAL2	3231	0	0	0	0.09	
-3234	C8	SLES	1	-10.4015	38.517	27.5829	CTL2	3231	3235	3236	3237	-0.18	
-3235	H81	SLES	1	-11.4359	38.2546	27.2235	HAL2	3234	0	0	0	0.09	
-3236	H82	SLES	1	-10.1858	38.0115	28.567	HAL2	3234	0	0	0	0.09	
-3237	C9	SLES	1	-9.44892	37.9438	26.5925	CTL2	3234	3238	3239	3240	-0.18	
-3238	H91	SLES	1	-9.62644	38.387	25.5872	HAL2	3237	0	0	0	0.09	
-3239	H92	SLES	1	-8.40022	38.148	26.9051	HAL2	3237	0	0	0	0.09	
-3240	C10	SLES	1	-9.82591	36.4661	26.6755	CTL2	3237	3241	3242	3243	-0.18	
-3241	H10	SLES	1	-10.9123	36.3342	26.4215	HAL2	3240	0	0	0	0.09	
-3242	H10	SLES	1	-9.69491	36.0972	27.7292	HAL2	3240	0	0	0	0.09	
-3243	C11	SLES	1	-9.04161	35.5614	25.7817	CTL2	3240	3244	3245	3246	-0.18	
-3244	H11	SLES	1	-9.19135	35.9169	24.7357	HAL2	3243	0	0	0	0.09	
-3245	H11	SLES	1	-7.96639	35.6789	26.0511	HAL2	3243	0	0	0	0.09	
-3246	C12	SLES	1	-9.52492	34.1206	25.9698	CTL3	3243	3247	3248	3249	-0.27	
-3247	H12	SLES	1	-9.92874	33.7282	25.0164	HAL3	3246	0	0	0	0.09	
-3248	H12	SLES	1	-8.69552	33.4877	26.3413	HAL3	3246	0	0	0	0.09	
-3249	H12	SLES	1	-10.3479	34.0419	26.7222	HAL3	3246	0	0	0	0.09	
-3250	NA	SLES	1	-26.8144	50.2565	33.7177	NA	0	0	0	0	1	
-3251	S	SLES	1	-28.4116	47.7541	34.3189	SL	3252	3253	3254	3255	1.33	
-3252	OS1	SLES	1	-27.233	47.2803	33.5734	OSL	3251	3256	0	0	-0.28	
-3253	OS2	SLES	1	-28.775	48.6412	33.2364	O2L	3251	0	0	0	-0.65	
-3254	OS3	SLES	1	-27.5695	48.3412	35.3355	O2L	3251	0	0	0	-0.65	
-3255	OS4	SLES	1	-29.211	46.5978	34.6115	O2L	3251	0	0	0	-0.65	
-3256	C2	SLES	1	-26.9053	45.9895	33.2452	CC32A	3252	3257	3258	3259	-0.11	
-3257	H2A	SLES	1	-27.7013	45.5284	32.6028	HCA2	3256	0	0	0	0.09	
-3258	H2B	SLES	1	-26.7546	45.3674	34.167	HCA2	3256	0	0	0	0.09	
-3259	C1	SLES	1	-25.5871	46.1797	32.4643	CC32A	3256	3260	3261	3262	-0.01	
-3260	H1B	SLES	1	-25.7445	46.8292	31.5645	HCA2	3259	0	0	0	0.09	
-3261	H1A	SLES	1	-24.8053	46.648	33.1114	HCA2	3259	0	0	0	0.09	
-3262	O1	SLES	1	-24.9446	45.057	31.9536	OC30A	3259	3263	0	0	-0.34	
-3263	C2	SLES	1	-25.5489	43.7935	32.1609	CC32A	3262	3264	3265	3266	-0.01	
-3264	H2A	SLES	1	-26.579	43.77	31.7028	HCA2	3263	0	0	0	0.09	
-3265	H2B	SLES	1	-25.6415	43.5626	33.248	HCA2	3263	0	0	0	0.09	
-3266	C1	SLES	1	-24.4263	43.1988	31.2351	CC32A	3263	3267	3268	3269	-0.01	
-3267	H1B	SLES	1	-25.1877	42.8504	30.5248	HCA2	3266	0	0	0	0.09	
-3268	H1A	SLES	1	-24.1481	42.683	32.2245	HCA2	3266	0	0	0	0.09	
-3269	O1	SLES	1	-23.4099	42.3466	30.774	OC30A	3266	3270	0	0	-0.34	
-3270	C1	SLES	1	-23.7031	40.9628	30.6439	CTL2	3269	3271	3272	3273	-0.18	
-3271	H11	SLES	1	-24.6667	40.7087	30.1203	HAL2	3270	0	0	0	0.09	
-3272	H12	SLES	1	-23.7389	40.4755	31.6508	HAL2	3270	0	0	0	0.09	
-3273	C2	SLES	1	-22.484	40.5304	29.8305	CTL2	3270	3274	3275	3276	-0.18	
-3274	H21	SLES	1	-22.4611	40.9599	28.8001	HAL2	3273	0	0	0	0.09	
-3275	H22	SLES	1	-21.5151	40.7559	30.3392	HAL2	3273	0	0	0	0.09	
-3276	C3	SLES	1	-22.6482	39.0669	29.7426	CTL2	3273	3277	3278	3279	-0.18	
-3277	H31	SLES	1	-23.6359	38.9182	29.2271	HAL2	3276	0	0	0	0.09	
-3278	H32	SLES	1	-22.6678	38.7131	30.8104	HAL2	3276	0	0	0	0.09	
-3279	C4	SLES	1	-21.6504	38.216	29.0261	CTL2	3276	3280	3281	3282	-0.18	
-3280	H41	SLES	1	-21.571	38.5017	27.9482	HAL2	3279	0	0	0	0.09	
-3281	H42	SLES	1	-20.6367	38.3059	29.4823	HAL2	3279	0	0	0	0.09	
-3282	C5	SLES	1	-22.3209	36.8556	29.2607	CTL2	3279	3283	3284	3285	-0.18	
-3283	H51	SLES	1	-23.3633	36.8536	28.8441	HAL2	3282	0	0	0	0.09	
-3284	H52	SLES	1	-22.439	36.6599	30.359	HAL2	3282	0	0	0	0.09	
-3285	C6	SLES	1	-21.6516	35.6756	28.7015	CTL2	3282	3286	3287	3288	-0.18	
-3286	H61	SLES	1	-22.4077	35.1684	28.0427	HAL2	3285	0	0	0	0.09	
-3287	H62	SLES	1	-21.4806	34.9742	29.5617	HAL2	3285	0	0	0	0.09	
-3288	C7	SLES	1	-20.345	35.9174	27.9359	CTL2	3285	3289	3290	3291	-0.18	
-3289	H71	SLES	1	-20.465	36.5443	27.0209	HAL2	3288	0	0	0	0.09	
-3290	H72	SLES	1	-19.5266	36.3473	28.5588	HAL2	3288	0	0	0	0.09	
-3291	C8	SLES	1	-20.0297	34.5142	27.5626	CTL2	3288	3292	3293	3294	-0.18	
-3292	H81	SLES	1	-20.9045	34.1427	26.9586	HAL2	3291	0	0	0	0.09	
-3293	H82	SLES	1	-19.9468	33.9418	28.53	HAL2	3291	0	0	0	0.09	
-3294	C9	SLES	1	-18.8054	34.1997	26.7759	CTL2	3291	3295	3296	3297	-0.18	
-3295	H91	SLES	1	-18.8366	34.7188	25.7919	HAL2	3294	0	0	0	0.09	
-3296	H92	SLES	1	-17.8971	34.5213	27.3334	HAL2	3294	0	0	0	0.09	
-3297	C10	SLES	1	-18.9371	32.6824	26.6619	CTL2	3294	3298	3299	3300	-0.18	
-3298	H10	SLES	1	-19.9063	32.4199	26.158	HAL2	3297	0	0	0	0.09	
-3299	H10	SLES	1	-18.9735	32.2241	27.6877	HAL2	3297	0	0	0	0.09	
-3300	C11	SLES	1	-17.8395	32.0065	25.9063	CTL2	3297	3301	3302	3303	-0.18	
-3301	H11	SLES	1	-17.8205	32.448	24.8827	HAL2	3300	0	0	0	0.09	
-3302	H11	SLES	1	-16.8819	32.2515	26.4215	HAL2	3300	0	0	0	0.09	
-3303	C12	SLES	1	-18.1021	30.4983	25.8729	CTL3	3300	3304	3305	3306	-0.27	
-3304	H12	SLES	1	-18.2215	30.1569	24.8263	HAL3	3303	0	0	0	0.09	
-3305	H12	SLES	1	-17.2765	29.9582	26.376	HAL3	3303	0	0	0	0.09	
-3306	H12	SLES	1	-19.0412	30.2171	26.41	HAL3	3303	0	0	0	0.09	
-3307	NA	SLES	1	-38.6671	41.5632	34.1987	NA	0	0	0	0	1	
-3308	S	SLES	1	-39.8907	38.7931	34.1359	SL	3309	3310	3311	3312	1.33	
-3309	OS1	SLES	1	-38.5348	38.6199	33.5875	OSL	3308	3313	0	0	-0.28	
-3310	OS2	SLES	1	-40.2032	39.7808	33.1272	O2L	3308	0	0	0	-0.65	
-3311	OS3	SLES	1	-39.3564	39.3245	35.3686	O2L	3308	0	0	0	-0.65	
-3312	OS4	SLES	1	-40.5182	37.5019	34.1089	O2L	3308	0	0	0	-0.65	
-3313	C2	SLES	1	-37.9367	37.4595	33.1669	CC32A	3309	3314	3315	3316	-0.11	
-3314	H2A	SLES	1	-38.5145	36.9977	32.3232	HCA2	3313	0	0	0	0.09	
-3315	H2B	SLES	1	-37.8473	36.7257	34.0114	HCA2	3313	0	0	0	0.09	
-3316	C1	SLES	1	-36.5535	37.9604	32.6985	CC32A	3313	3317	3318	3319	-0.01	
-3317	H1B	SLES	1	-36.6581	38.7165	31.8777	HCA2	3316	0	0	0	0.09	
-3318	H1A	SLES	1	-35.9916	38.4264	33.5449	HCA2	3316	0	0	0	0.09	
-3319	O1	SLES	1	-35.647	37.0387	32.1859	OC30A	3316	3320	0	0	-0.34	
-3320	C2	SLES	1	-36.0519	35.6846	32.1014	CC32A	3319	3321	3322	3323	-0.01	
-3321	H2A	SLES	1	-36.9646	35.5869	31.4464	HCA2	3320	0	0	0	0.09	
-3322	H2B	SLES	1	-36.2949	35.2712	33.1082	HCA2	3320	0	0	0	0.09	
-3323	C1	SLES	1	-34.6974	35.4143	31.351	CC32A	3320	3324	3325	3326	-0.01	
-3324	H1B	SLES	1	-35.249	35.0784	30.463	HCA2	3323	0	0	0	0.09	
-3325	H1A	SLES	1	-34.5148	34.7918	32.3005	HCA2	3323	0	0	0	0.09	
-3326	O1	SLES	1	-33.484	34.8026	30.9968	OC30A	3323	3327	0	0	-0.34	
-3327	C1	SLES	1	-33.5067	33.43	30.6317	CTL2	3326	3328	3329	3330	-0.18	
-3328	H11	SLES	1	-34.3037	33.1272	29.8966	HAL2	3327	0	0	0	0.09	
-3329	H12	SLES	1	-33.6363	32.7874	31.5387	HAL2	3327	0	0	0	0.09	
-3330	C2	SLES	1	-32.1066	33.314	30.0308	CTL2	3327	3331	3332	3333	-0.18	
-3331	H21	SLES	1	-31.9754	33.9021	29.0909	HAL2	3330	0	0	0	0.09	
-3332	H22	SLES	1	-31.297	33.5921	30.7489	HAL2	3330	0	0	0	0.09	
-3333	C3	SLES	1	-31.9982	31.8755	29.7223	CTL2	3330	3334	3335	3336	-0.18	
-3334	H31	SLES	1	-32.838	31.6708	29.0039	HAL2	3333	0	0	0	0.09	
-3335	H32	SLES	1	-32.1459	31.3556	30.7091	HAL2	3333	0	0	0	0.09	
-3336	C4	SLES	1	-30.7577	31.3033	29.1166	CTL2	3333	3337	3338	3339	-0.18	
-3337	H41	SLES	1	-30.5385	31.7668	28.1232	HAL2	3336	0	0	0	0.09	
-3338	H42	SLES	1	-29.8719	31.4639	29.775	HAL2	3336	0	0	0	0.09	
-3339	C5	SLES	1	-31.2149	29.8407	29.0327	CTL2	3336	3340	3341	3342	-0.18	
-3340	H51	SLES	1	-32.1505	29.7555	28.4184	HAL2	3339	0	0	0	0.09	
-3341	H52	SLES	1	-31.4906	29.4563	30.0499	HAL2	3339	0	0	0	0.09	
-3342	C6	SLES	1	-30.2638	28.8747	28.4709	CTL2	3339	3343	3344	3345	-0.18	
-3343	H61	SLES	1	-30.7921	28.3763	27.6134	HAL2	3342	0	0	0	0.09	
-3344	H62	SLES	1	-30.1302	28.0763	29.2494	HAL2	3342	0	0	0	0.09	
-3345	C7	SLES	1	-28.9035	29.4219	28.0217	CTL2	3342	3346	3347	3348	-0.18	
-3346	H71	SLES	1	-28.9652	30.1637	27.1907	HAL2	3345	0	0	0	0.09	
-3347	H72	SLES	1	-28.2952	29.8596	28.847	HAL2	3345	0	0	0	0.09	
-3348	C8	SLES	1	-28.2902	28.1571	27.5403	CTL2	3345	3349	3350	3351	-0.18	
-3349	H81	SLES	1	-28.9666	27.7653	26.7297	HAL2	3348	0	0	0	0.09	
-3350	H82	SLES	1	-28.2831	27.4548	28.4219	HAL2	3348	0	0	0	0.09	
-3351	C9	SLES	1	-26.9101	28.1527	26.9818	CTL2	3348	3352	3353	3354	-0.18	
-3352	H91	SLES	1	-26.8549	28.8131	26.0876	HAL2	3351	0	0	0	0.09	
-3353	H92	SLES	1	-26.1844	28.508	27.7474	HAL2	3351	0	0	0	0.09	
-3354	C10	SLES	1	-26.7562	26.6704	26.6474	CTL2	3351	3355	3356	3357	-0.18	
-3355	H10	SLES	1	-27.5607	26.3554	25.9291	HAL2	3354	0	0	0	0.09	
-3356	H10	SLES	1	-26.8948	26.053	27.5764	HAL2	3354	0	0	0	0.09	
-3357	C11	SLES	1	-25.4422	26.2899	26.0466	CTL2	3354	3358	3359	3360	-0.18	
-3358	H11	SLES	1	-25.318	26.8881	25.1139	HAL2	3357	0	0	0	0.09	
-3359	H11	SLES	1	-24.648	26.5844	26.7711	HAL2	3357	0	0	0	0.09	
-3360	C12	SLES	1	-25.4311	24.7847	25.7653	CTL3	3357	3361	3362	3363	-0.27	
-3361	H12	SLES	1	-25.3021	24.6022	24.6807	HAL3	3360	0	0	0	0.09	
-3362	H12	SLES	1	-24.6275	24.2955	26.3495	HAL3	3360	0	0	0	0.09	
-3363	H12	SLES	1	-26.388	24.2887	26.0614	HAL3	3360	0	0	0	0.09	
-3364	NA	SLES	1	-47.9271	30.0377	34.6971	NA	0	0	0	0	1	
-3365	S	SLES	1	-48.6369	27.1901	33.9478	SL	3366	3367	3368	3369	1.33	
-3366	OS1	SLES	1	-47.2118	27.3278	33.6022	OSL	3365	3370	0	0	-0.28	
-3367	OS2	SLES	1	-48.9809	28.3048	33.0936	O2L	3365	0	0	0	-0.65	
-3368	OS3	SLES	1	-48.3668	27.534	35.3247	O2L	3365	0	0	0	-0.65	
-3369	OS4	SLES	1	-49.0238	25.854	33.5915	O2L	3365	0	0	0	-0.65	
-3370	C2	SLES	1	-46.3734	26.3741	33.0838	CC32A	3366	3371	3372	3373	-0.11	
-3371	H2A	SLES	1	-46.7484	26.0131	32.0898	HCA2	3370	0	0	0	0.09	
-3372	H2B	SLES	1	-46.2696	25.5062	33.7877	HCA2	3370	0	0	0	0.09	
-3373	C1	SLES	1	-45.0481	27.153	32.9401	CC32A	3370	3374	3375	3376	-0.01	
-3374	H1B	SLES	1	-45.1736	28.0355	32.2606	HCA2	3373	0	0	0	0.09	
-3375	H1A	SLES	1	-44.6896	27.5152	33.9348	HCA2	3373	0	0	0	0.09	
-3376	O1	SLES	1	-43.9376	26.4935	32.4242	OC30A	3373	3377	0	0	-0.34	
-3377	C2	SLES	1	-44.0889	25.1401	32.0367	CC32A	3376	3378	3379	3380	-0.01	
-3378	H2A	SLES	1	-44.8781	25.0457	31.2369	HCA2	3377	0	0	0	0.09	
-3379	H2B	SLES	1	-44.3859	24.5022	32.9018	HCA2	3377	0	0	0	0.09	
-3380	C1	SLES	1	-42.6222	25.2242	31.4776	CC32A	3377	3381	3382	3383	-0.01	
-3381	H1B	SLES	1	-42.9876	24.9979	30.4672	HCA2	3380	0	0	0	0.09	
-3382	H1A	SLES	1	-42.4601	24.4565	32.3182	HCA2	3380	0	0	0	0.09	
-3383	O1	SLES	1	-41.286	24.8775	31.2199	OC30A	3380	3384	0	0	-0.34	
-3384	C1	SLES	1	-41.0245	23.6177	30.618	CTL2	3383	3385	3386	3387	-0.18	
-3385	H11	SLES	1	-41.655	23.3573	29.7225	HAL2	3384	0	0	0	0.09	
-3386	H12	SLES	1	-41.1583	22.794	31.3637	HAL2	3384	0	0	0	0.09	
-3387	C2	SLES	1	-39.5592	23.8278	30.2388	CTL2	3384	3388	3389	3390	-0.18	
-3388	H21	SLES	1	-39.4102	24.6055	29.4517	HAL2	3387	0	0	0	0.09	
-3389	H22	SLES	1	-38.9099	24.0695	31.1153	HAL2	3387	0	0	0	0.09	
-3390	C3	SLES	1	-39.1656	22.5116	29.7011	CTL2	3387	3391	3392	3393	-0.18	
-3391	H31	SLES	1	-39.8571	22.3367	28.8324	HAL2	3390	0	0	0	0.09	
-3392	H32	SLES	1	-39.3487	21.7883	30.5432	HAL2	3390	0	0	0	0.09	
-3393	C4	SLES	1	-37.7771	22.2577	29.2106	CTL2	3390	3394	3395	3396	-0.18	
-3394	H41	SLES	1	-37.5137	22.9381	28.3636	HAL2	3393	0	0	0	0.09	
-3395	H42	SLES	1	-37.0254	22.4085	30.0206	HAL2	3393	0	0	0	0.09	
-3396	C5	SLES	1	-37.9609	20.7916	28.796	CTL2	3393	3397	3398	3399	-0.18	
-3397	H51	SLES	1	-38.7799	20.6977	28.0342	HAL2	3396	0	0	0	0.09	
-3398	H52	SLES	1	-38.2962	20.1749	29.671	HAL2	3396	0	0	0	0.09	
-3399	C6	SLES	1	-36.7929	20.1055	28.2317	CTL2	3396	3400	3401	3402	-0.18	
-3400	H61	SLES	1	-37.1115	19.7189	27.2258	HAL2	3399	0	0	0	0.09	
-3401	H62	SLES	1	-36.6262	19.1946	28.8672	HAL2	3399	0	0	0	0.09	
-3402	C7	SLES	1	-35.5004	20.922	28.1112	CTL2	3399	3403	3404	3405	-0.18	
-3403	H71	SLES	1	-35.5803	21.7989	27.4262	HAL2	3402	0	0	0	0.09	
-3404	H72	SLES	1	-35.0891	21.2678	29.0878	HAL2	3402	0	0	0	0.09	
-3405	C8	SLES	1	-34.6212	19.8816	27.5176	CTL2	3402	3406	3407	3408	-0.18	
-3406	H81	SLES	1	-35.1089	19.5675	26.5524	HAL2	3405	0	0	0	0.09	
-3407	H82	SLES	1	-34.608	19.0249	28.2499	HAL2	3405	0	0	0	0.09	
-3408	C9	SLES	1	-33.2002	20.1884	27.1961	CTL2	3405	3409	3410	3411	-0.18	
-3409	H91	SLES	1	-33.1439	21.016	26.4541	HAL2	3408	0	0	0	0.09	
-3410	H92	SLES	1	-32.6523	20.4833	28.1191	HAL2	3408	0	0	0	0.09	
-3411	C10	SLES	1	-32.7514	18.8416	26.6329	CTL2	3408	3412	3413	3414	-0.18	
-3412	H10	SLES	1	-33.3893	18.5649	25.7504	HAL2	3411	0	0	0	0.09	
-3413	H10	SLES	1	-32.9012	18.0367	27.403	HAL2	3411	0	0	0	0.09	
-3414	C11	SLES	1	-31.3247	18.783	26.193	CTL2	3411	3415	3416	3417	-0.18	
-3415	H11	SLES	1	-31.1852	19.568	25.4136	HAL2	3414	0	0	0	0.09	
-3416	H11	SLES	1	-30.6941	19.037	27.0763	HAL2	3414	0	0	0	0.09	
-3417	C12	SLES	1	-31.0182	17.3827	25.6543	CTL3	3414	3418	3419	3420	-0.27	
-3418	H12	SLES	1	-30.7199	17.4425	24.5896	HAL3	3417	0	0	0	0.09	
-3419	H12	SLES	1	-30.2252	16.907	26.2637	HAL3	3417	0	0	0	0.09	
-3420	H12	SLES	1	-31.9057	16.7047	25.7001	HAL3	3417	0	0	0	0.09	
-3421	NA	SLES	1	-53.9112	16.4251	35.179	NA	0	0	0	0	1	
-3422	S	SLES	1	-54.0743	13.7503	33.7672	SL	3423	3424	3425	3426	1.33	
-3423	OS1	SLES	1	-52.6713	14.1723	33.6165	OSL	3422	3427	0	0	-0.28	
-3424	OS2	SLES	1	-54.5374	14.9669	33.1379	O2L	3422	0	0	0	-0.65	
-3425	OS3	SLES	1	-53.968	13.8075	35.2068	O2L	3422	0	0	0	-0.65	
-3426	OS4	SLES	1	-54.2035	12.4884	33.0943	O2L	3422	0	0	0	-0.65	
-3427	C2	SLES	1	-51.6485	13.4965	33.0015	CC32A	3423	3428	3429	3430	-0.11	
-3428	H2A	SLES	1	-51.8832	13.3201	31.9185	HCA2	3427	0	0	0	0.09	
-3429	H2B	SLES	1	-51.452	12.5161	33.5113	HCA2	3427	0	0	0	0.09	
-3430	C1	SLES	1	-50.4663	14.4746	33.1725	CC32A	3427	3431	3432	3433	-0.01	
-3431	H1B	SLES	1	-50.6883	15.4603	32.6871	HCA2	3430	0	0	0	0.09	
-3432	H1A	SLES	1	-50.2481	14.6497	34.2546	HCA2	3430	0	0	0	0.09	
-3433	O1	SLES	1	-49.2258	14.1217	32.6523	OC30A	3430	3434	0	0	-0.34	
-3434	C2	SLES	1	-49.1181	12.8851	31.9711	CC32A	3433	3435	3436	3437	-0.01	
-3435	H2A	SLES	1	-49.8192	12.8598	31.0883	HCA2	3434	0	0	0	0.09	
-3436	H2B	SLES	1	-49.3662	12.0301	32.6427	HCA2	3434	0	0	0	0.09	
-3437	C1	SLES	1	-47.6494	13.3102	31.6062	CC32A	3434	3438	3439	3440	-0.01	
-3438	H1B	SLES	1	-47.8962	13.2686	30.5371	HCA2	3437	0	0	0	0.09	
-3439	H1A	SLES	1	-47.4226	12.4038	32.2765	HCA2	3437	0	0	0	0.09	
-3440	O1	SLES	1	-46.2587	13.2328	31.428	OC30A	3437	3441	0	0	-0.34	
-3441	C1	SLES	1	-45.7452	12.1961	30.6036	CTL2	3440	3442	3443	3444	-0.18	
-3442	H11	SLES	1	-46.2552	12.0564	29.6099	HAL2	3441	0	0	0	0.09	
-3443	H12	SLES	1	-45.7929	11.2137	31.1375	HAL2	3441	0	0	0	0.09	
-3444	C2	SLES	1	-44.3123	12.7013	30.4401	CTL2	3441	3445	3446	3447	-0.18	
-3445	H21	SLES	1	-44.2389	13.6512	29.8579	HAL2	3444	0	0	0	0.09	
-3446	H22	SLES	1	-43.7793	12.8302	31.4135	HAL2	3444	0	0	0	0.09	
-3447	C3	SLES	1	-43.6643	11.6153	29.6806	CTL2	3444	3448	3449	3450	-0.18	
-3448	H31	SLES	1	-44.2507	11.5427	28.7244	HAL2	3447	0	0	0	0.09	
-3449	H32	SLES	1	-43.7844	10.7002	30.324	HAL2	3447	0	0	0	0.09	
-3450	C4	SLES	1	-42.2206	11.6879	29.3017	CTL2	3447	3451	3452	3453	-0.18	
-3451	H41	SLES	1	-42.014	12.5747	28.6532	HAL2	3450	0	0	0	0.09	
-3452	H42	SLES	1	-41.5667	11.7596	30.2023	HAL2	3450	0	0	0	0.09	
-3453	C5	SLES	1	-42.1239	10.3442	28.5667	CTL2	3450	3454	3455	3456	-0.18	
-3454	H51	SLES	1	-42.8572	10.3064	27.7177	HAL2	3453	0	0	0	0.09	
-3455	H52	SLES	1	-42.414	9.50172	29.2483	HAL2	3453	0	0	0	0.09	
-3456	C6	SLES	1	-40.8188	9.98514	28.0001	CTL2	3453	3457	3458	3459	-0.18	
-3457	H61	SLES	1	-40.9929	9.79517	26.9063	HAL2	3456	0	0	0	0.09	
-3458	H62	SLES	1	-40.5483	8.98833	28.4411	HAL2	3456	0	0	0	0.09	
-3459	C7	SLES	1	-39.677	10.9894	28.1981	CTL2	3456	3460	3461	3462	-0.18	
-3460	H71	SLES	1	-39.8528	11.9776	27.7112	HAL2	3459	0	0	0	0.09	
-3461	H72	SLES	1	-39.4026	11.1605	29.2649	HAL2	3459	0	0	0	0.09	
-3462	C8	SLES	1	-38.5939	10.2534	27.496	CTL2	3459	3463	3464	3465	-0.18	
-3463	H81	SLES	1	-38.9494	10.0989	26.4387	HAL2	3462	0	0	0	0.09	
-3464	H82	SLES	1	-38.4905	9.26397	28.0259	HAL2	3462	0	0	0	0.09	
-3465	C9	SLES	1	-37.2251	10.8319	27.4043	CTL2	3462	3466	3467	3468	-0.18	
-3466	H91	SLES	1	-37.2545	11.8058	26.8664	HAL2	3465	0	0	0	0.09	
-3467	H92	SLES	1	-36.8041	10.9864	28.4232	HAL2	3465	0	0	0	0.09	
-3468	C10	SLES	1	-36.5157	9.73039	26.6195	CTL2	3465	3469	3470	3471	-0.18	
-3469	H10	SLES	1	-37.0313	9.57088	25.6341	HAL2	3468	0	0	0	0.09	
-3470	H10	SLES	1	-36.584	8.7581	27.1793	HAL2	3468	0	0	0	0.09	
-3471	C11	SLES	1	-35.0711	9.9851	26.3355	CTL2	3468	3472	3473	3474	-0.18	
-3472	H11	SLES	1	-35.0089	10.9388	25.7614	HAL2	3471	0	0	0	0.09	
-3473	H11	SLES	1	-34.5589	10.1216	27.3161	HAL2	3471	0	0	0	0.09	
-3474	C12	SLES	1	-34.4944	8.8055	25.5476	CTL3	3471	3475	3476	3477	-0.27	
-3475	H12	SLES	1	-34.133	9.14978	24.5592	HAL3	3474	0	0	0	0.09	
-3476	H12	SLES	1	-33.6797	8.32599	26.1244	HAL3	3474	0	0	0	0.09	
-3477	H12	SLES	1	-35.256	8.01138	25.3507	HAL3	3474	0	0	0	0.09	
-3478	NA	SLES	1	-56.1462	1.64418	35.6115	NA	0	0	0	0	1	
-3479	S	SLES	1	-55.8572	-0.607557	33.6065	SL	3480	3481	3482	3483	1.33	
-3480	OS1	SLES	1	-54.5392	0.0495181	33.6295	OSL	3479	3484	0	0	-0.28	
-3481	OS2	SLES	1	-56.5035	0.637759	33.257	O2L	3479	0	0	0	-0.65	
-3482	OS3	SLES	1	-55.7789	-0.880562	35.023	O2L	3479	0	0	0	-0.65	
-3483	OS4	SLES	1	-55.7723	-1.67631	32.6512	O2L	3479	0	0	0	-0.65	
-3484	C2	SLES	1	-53.4132	-0.293442	32.9255	CC32A	3480	3485	3486	3487	-0.11	
-3485	H2A	SLES	1	-53.6032	-0.239842	31.821	HCA2	3484	0	0	0	0.09	
-3486	H2B	SLES	1	-53.0668	-1.32482	33.2009	HCA2	3484	0	0	0	0.09	
-3487	C1	SLES	1	-52.4071	0.785828	33.38	CC32A	3484	3488	3489	3490	-0.01	
-3488	H1B	SLES	1	-52.7798	1.81251	33.1283	HCA2	3487	0	0	0	0.09	
-3489	H1A	SLES	1	-52.2331	0.728524	34.4825	HCA2	3487	0	0	0	0.09	
-3490	O1	SLES	1	-51.1196	0.763312	32.8546	OC30A	3487	3491	0	0	-0.34	
-3491	C2	SLES	1	-50.805	-0.242648	31.9092	CC32A	3490	3492	3493	3494	-0.01	
-3492	H2A	SLES	1	-51.4821	-0.164001	31.0109	HCA2	3491	0	0	0	0.09	
-3493	H2B	SLES	1	-50.9195	-1.26114	32.3486	HCA2	3491	0	0	0	0.09	
-3494	C1	SLES	1	-49.4202	0.478817	31.7282	CC32A	3491	3495	3496	3497	-0.01	
-3495	H1B	SLES	1	-49.6441	0.65649	30.668	HCA2	3494	0	0	0	0.09	
-3496	H1A	SLES	1	-49.0578	-0.515444	32.1782	HCA2	3494	0	0	0	0.09	
-3497	O1	SLES	1	-48.0332	0.661847	31.6069	OC30A	3494	3498	0	0	-0.34	
-3498	C1	SLES	1	-47.3488	-0.0556061	30.5897	CTL2	3497	3499	3500	3501	-0.18	
-3499	H11	SLES	1	-47.8175	-0.0306716	29.5665	HAL2	3498	0	0	0	0.09	
-3500	H12	SLES	1	-47.2433	-1.13244	30.8756	HAL2	3498	0	0	0	0.09	
-3501	C2	SLES	1	-46.0148	0.688909	30.6212	CTL2	3498	3502	3503	3504	-0.18	
-3502	H21	SLES	1	-46.0891	1.75006	30.2819	HAL2	3501	0	0	0	0.09	
-3503	H22	SLES	1	-45.5214	0.661981	31.6232	HAL2	3501	0	0	0	0.09	
-3504	C3	SLES	1	-45.1904	-0.0705721	29.6621	CTL2	3501	3505	3506	3507	-0.18	
-3505	H31	SLES	1	-45.7457	-0.00200562	28.6872	HAL2	3504	0	0	0	0.09	
-3506	H32	SLES	1	-45.1685	-1.1202	30.0665	HAL2	3504	0	0	0	0.09	
-3507	C4	SLES	1	-43.7731	0.312422	29.3838	CTL2	3504	3508	3509	3510	-0.18	
-3508	H41	SLES	1	-43.7049	1.34952	28.972	HAL2	3507	0	0	0	0.09	
-3509	H42	SLES	1	-43.1502	0.266707	30.3078	HAL2	3507	0	0	0	0.09	
-3510	C5	SLES	1	-43.4513	-0.785032	28.3605	CTL2	3507	3511	3512	3513	-0.18	
-3511	H51	SLES	1	-44.1585	-0.731426	27.4904	HAL2	3510	0	0	0	0.09	
-3512	H52	SLES	1	-43.6094	-1.8004	28.8104	HAL2	3510	0	0	0	0.09	
-3513	C6	SLES	1	-42.0985	-0.792326	27.7919	CTL2	3510	3514	3515	3516	-0.18	
-3514	H61	SLES	1	-42.2264	-0.739757	26.6766	HAL2	3513	0	0	0	0.09	
-3515	H62	SLES	1	-41.6756	-1.81162	28.0003	HAL2	3513	0	0	0	0.09	
-3516	C7	SLES	1	-41.1368	0.29928	28.2765	CTL2	3513	3517	3518	3519	-0.18	
-3517	H71	SLES	1	-41.4643	1.33595	28.0263	HAL2	3516	0	0	0	0.09	
-3518	H72	SLES	1	-40.9066	0.250531	29.3662	HAL2	3516	0	0	0	0.09	
-3519	C8	SLES	1	-39.9405	-0.0712677	27.477	CTL2	3516	3520	3521	3522	-0.18	
-3520	H81	SLES	1	-40.2535	-0.0213796	26.3964	HAL2	3519	0	0	0	0.09	
-3521	H82	SLES	1	-39.6847	-1.13052	27.7651	HAL2	3519	0	0	0	0.09	
-3522	C9	SLES	1	-38.6824	0.716524	27.5922	CTL2	3519	3523	3524	3525	-0.18	
-3523	H91	SLES	1	-38.8625	1.77424	27.2965	HAL2	3522	0	0	0	0.09	
-3524	H92	SLES	1	-38.3042	0.685989	28.6387	HAL2	3522	0	0	0	0.09	
-3525	C10	SLES	1	-37.7947	-0.0423176	26.608	CTL2	3522	3526	3527	3528	-0.18	
-3526	H10	SLES	1	-38.2657	-0.0391775	25.588	HAL2	3525	0	0	0	0.09	
-3527	H10	SLES	1	-37.7114	-1.11881	26.9205	HAL2	3525	0	0	0	0.09	
-3528	C11	SLES	1	-36.407	0.492708	26.4645	CTL2	3525	3529	3530	3531	-0.18	
-3529	H11	SLES	1	-36.493	1.55386	26.1334	HAL2	3528	0	0	0	0.09	
-3530	H11	SLES	1	-35.9355	0.468091	27.4743	HAL2	3528	0	0	0	0.09	
-3531	C12	SLES	1	-35.6375	-0.360704	25.4523	CTL3	3528	3532	3533	3534	-0.27	
-3532	H12	SLES	1	-35.3247	0.261463	24.5914	HAL3	3531	0	0	0	0.09	
-3533	H12	SLES	1	-34.7629	-0.832578	25.9411	HAL3	3531	0	0	0	0.09	
-3534	H12	SLES	1	-36.2581	-1.19245	25.037	HAL3	3531	0	0	0	0.09	
-3535	NA	SLES	1	-54.4187	-13.2727	35.9653	NA	0	0	0	0	1	
-3536	S	SLES	1	-53.8868	-14.9152	33.4766	SL	3537	3538	3539	3540	1.33	
-3537	OS1	SLES	1	-52.6865	-14.0774	33.6402	OSL	3536	3541	0	0	-0.28	
-3538	OS2	SLES	1	-54.7343	-13.7442	33.4429	O2L	3536	0	0	0	-0.65	
-3539	OS3	SLES	1	-53.6962	-15.4958	34.7857	O2L	3536	0	0	0	-0.65	
-3540	OS4	SLES	1	-53.6861	-15.7024	32.2926	O2L	3536	0	0	0	-0.65	
-3541	C2	SLES	1	-51.5579	-14.0591	32.8611	CC32A	3537	3542	3543	3544	-0.11	
-3542	H2A	SLES	1	-51.8092	-13.7799	31.8038	HCA2	3541	0	0	0	0.09	
-3543	H2B	SLES	1	-51.0431	-15.0562	32.8777	HCA2	3541	0	0	0	0.09	
-3544	C1	SLES	1	-50.7089	-12.968	33.5483	CC32A	3541	3545	3546	3547	-0.01	
-3545	H1B	SLES	1	-51.2477	-11.9852	33.5539	HCA2	3544	0	0	0	0.09	
-3546	H1A	SLES	1	-50.4729	-13.2529	34.603	HCA2	3544	0	0	0	0.09	
-3547	O1	SLES	1	-49.4614	-12.6582	33.0173	OC30A	3544	3548	0	0	-0.34	
-3548	C2	SLES	1	-49.0432	-13.3503	31.8551	CC32A	3547	3549	3550	3551	-0.01	
-3549	H2A	SLES	1	-49.7685	-13.1742	31.0099	HCA2	3548	0	0	0	0.09	
-3550	H2B	SLES	1	-48.977	-14.4481	32.0396	HCA2	3548	0	0	0	0.09	
-3551	C1	SLES	1	-47.7972	-12.3922	31.8352	CC32A	3548	3552	3553	3554	-0.01	
-3552	H1B	SLES	1	-48.0988	-12.0099	30.8511	HCA2	3551	0	0	0	0.09	
-3553	H1A	SLES	1	-47.2635	-13.392	32.03	HCA2	3551	0	0	0	0.09	
-3554	O1	SLES	1	-46.4629	-11.9638	31.7445	OC30A	3551	3555	0	0	-0.34	
-3555	C1	SLES	1	-45.728	-12.3027	30.577	CTL2	3554	3556	3557	3558	-0.18	
-3556	H11	SLES	1	-46.2458	-12.1152	29.5952	HAL2	3555	0	0	0	0.09	
-3557	H12	SLES	1	-45.4433	-13.3849	30.5959	HAL2	3555	0	0	0	0.09	
-3558	C2	SLES	1	-44.525	-11.3805	30.7696	CTL2	3555	3559	3560	3561	-0.18	
-3559	H21	SLES	1	-44.7791	-10.2958	30.6949	HAL2	3558	0	0	0	0.09	
-3560	H22	SLES	1	-43.9836	-11.561	31.7301	HAL2	3558	0	0	0	0.09	
-3561	C3	SLES	1	-43.6425	-11.7506	29.6468	CTL2	3558	3562	3563	3564	-0.18	
-3562	H31	SLES	1	-44.2501	-11.5465	28.7234	HAL2	3561	0	0	0	0.09	
-3563	H32	SLES	1	-43.4386	-12.8479	29.7883	HAL2	3561	0	0	0	0.09	
-3564	C4	SLES	1	-42.3171	-11.0889	29.4512	CTL2	3561	3565	3566	3567	-0.18	
-3565	H41	SLES	1	-42.4306	-9.98725	29.2985	HAL2	3564	0	0	0	0.09	
-3566	H42	SLES	1	-41.649	-11.2482	30.3299	HAL2	3564	0	0	0	0.09	
-3567	C5	SLES	1	-41.8816	-11.8493	28.1913	CTL2	3564	3568	3569	3570	-0.18	
-3568	H51	SLES	1	-42.6315	-11.7087	27.3679	HAL2	3567	0	0	0	0.09	
-3569	H52	SLES	1	-41.8583	-12.9536	28.3873	HAL2	3567	0	0	0	0.09	
-3570	C6	SLES	1	-40.5743	-11.5043	27.6212	CTL2	3567	3571	3572	3573	-0.18	
-3571	H61	SLES	1	-40.7646	-11.2135	26.5525	HAL2	3570	0	0	0	0.09	
-3572	H62	SLES	1	-39.9891	-12.4617	27.5747	HAL2	3570	0	0	0	0.09	
-3573	C7	SLES	1	-39.7693	-10.4156	28.3412	CTL2	3570	3574	3575	3576	-0.18	
-3574	H71	SLES	1	-40.2651	-9.41622	28.3501	HAL2	3573	0	0	0	0.09	
-3575	H72	SLES	1	-39.4799	-10.6801	29.3847	HAL2	3573	0	0	0	0.09	
-3576	C8	SLES	1	-38.5719	-10.39	27.4619	CTL2	3573	3577	3578	3579	-0.18	
-3577	H81	SLES	1	-38.9428	-10.1399	26.4285	HAL2	3576	0	0	0	0.09	
-3578	H82	SLES	1	-38.1416	-11.4315	27.4853	HAL2	3576	0	0	0	0.09	
-3579	C9	SLES	1	-37.4463	-9.45814	27.747	CTL2	3576	3580	3581	3582	-0.18	
-3580	H91	SLES	1	-37.8021	-8.40409	27.7149	HAL2	3579	0	0	0	0.09	
-3581	H92	SLES	1	-37.0158	-9.67118	28.7512	HAL2	3579	0	0	0	0.09	
-3582	C10	SLES	1	-36.5027	-9.81152	26.5992	CTL2	3579	3583	3584	3585	-0.18	
-3583	H10	SLES	1	-37.0192	-9.64599	25.6153	HAL2	3582	0	0	0	0.09	
-3584	H10	SLES	1	-36.2387	-10.9032	26.6443	HAL2	3582	0	0	0	0.09	
-3585	C11	SLES	1	-35.2232	-9.04043	26.5712	CTL2	3582	3586	3587	3588	-0.18	
-3586	H11	SLES	1	-35.4885	-7.95959	26.5045	HAL2	3585	0	0	0	0.09	
-3587	H11	SLES	1	-34.7034	-9.22409	27.54	HAL2	3585	0	0	0	0.09	
-3588	C12	SLES	1	-34.3831	-9.49707	25.3751	CTL3	3585	3589	3590	3591	-0.27	
-3589	H12	SLES	1	-34.2137	-8.64848	24.6842	HAL3	3588	0	0	0	0.09	
-3590	H12	SLES	1	-33.4227	-9.92229	25.7262	HAL3	3588	0	0	0	0.09	
-3591	H12	SLES	1	-34.888	-10.2977	24.7804	HAL3	3588	0	0	0	0.09	
-3592	NA	SLES	1	-48.8061	-27.2568	36.2161	NA	0	0	0	0	1	
-3593	S	SLES	1	-48.3121	-28.2177	33.3864	SL	3594	3595	3596	3597	1.33	
-3594	OS1	SLES	1	-47.2383	-27.2441	33.6479	OSL	3593	3598	0	0	-0.28	
-3595	OS2	SLES	1	-49.3219	-27.2262	33.6828	O2L	3593	0	0	0	-0.65	
-3596	OS3	SLES	1	-47.8961	-29.0234	34.5112	O2L	3593	0	0	0	-0.65	
-3597	OS4	SLES	1	-48.1277	-28.6892	32.0427	O2L	3593	0	0	0	-0.65	
-3598	C2	SLES	1	-46.2165	-26.8704	32.8127	CC32A	3594	3599	3600	3601	-0.11	
-3599	H2A	SLES	1	-46.6202	-26.4187	31.8683	HCA2	3598	0	0	0	0.09	
-3600	H2B	SLES	1	-45.5613	-27.7469	32.5638	HCA2	3598	0	0	0	0.09	
-3601	C1	SLES	1	-45.4682	-25.8238	33.6661	CC32A	3598	3602	3603	3604	-0.01	
-3602	H1B	SLES	1	-46.1426	-24.9699	33.9351	HCA2	3601	0	0	0	0.09	
-3603	H1A	SLES	1	-45.0791	-26.283	34.6079	HCA2	3601	0	0	0	0.09	
-3604	O1	SLES	1	-44.3457	-25.2025	33.1294	OC30A	3601	3605	0	0	-0.34	
-3605	C2	SLES	1	-43.9592	-25.5505	31.8125	CC32A	3604	3606	3607	3608	-0.01	
-3606	H2A	SLES	1	-44.7905	-25.3231	31.0854	HCA2	3605	0	0	0	0.09	
-3607	H2B	SLES	1	-43.7117	-26.6352	31.7366	HCA2	3605	0	0	0	0.09	
-3608	C1	SLES	1	-42.8782	-24.4144	31.9199	CC32A	3605	3609	3610	3611	-0.01	
-3609	H1B	SLES	1	-43.3386	-23.8875	31.0737	HCA2	3608	0	0	0	0.09	
-3610	H1A	SLES	1	-42.1846	-25.3283	31.842	HCA2	3608	0	0	0	0.09	
-3611	O1	SLES	1	-41.6399	-23.7581	31.8314	OC30A	3608	3612	0	0	-0.34	
-3612	C1	SLES	1	-40.9948	-23.7118	30.5666	CTL2	3611	3613	3614	3615	-0.18	
-3613	H11	SLES	1	-41.6386	-23.4092	29.6941	HAL2	3612	0	0	0	0.09	
-3614	H12	SLES	1	-40.5529	-24.7093	30.3174	HAL2	3612	0	0	0	0.09	
-3615	C2	SLES	1	-39.9275	-22.6626	30.8752	CTL2	3612	3616	3617	3618	-0.18	
-3616	H21	SLES	1	-40.3458	-21.6456	31.0685	HAL2	3615	0	0	0	0.09	
-3617	H22	SLES	1	-39.2638	-22.9499	31.7269	HAL2	3615	0	0	0	0.09	
-3618	C3	SLES	1	-39.1279	-22.631	29.6359	CTL2	3615	3619	3620	3621	-0.18	
-3619	H31	SLES	1	-39.856	-22.3401	28.8305	HAL2	3618	0	0	0	0.09	
-3620	H32	SLES	1	-38.7498	-23.6829	29.5082	HAL2	3618	0	0	0	0.09	
-3621	C4	SLES	1	-37.9442	-21.7293	29.4992	CTL2	3618	3622	3623	3624	-0.18	
-3622	H41	SLES	1	-38.2352	-20.6556	29.6104	HAL2	3621	0	0	0	0.09	
-3623	H42	SLES	1	-37.168	-21.9574	30.267	HAL2	3621	0	0	0	0.09	
-3624	C5	SLES	1	-37.5412	-22.1193	28.0708	CTL2	3621	3625	3626	3627	-0.18	
-3625	H51	SLES	1	-38.3889	-21.9348	27.3585	HAL2	3624	0	0	0	0.09	
-3626	H52	SLES	1	-37.3336	-23.2199	28.0077	HAL2	3624	0	0	0	0.09	
-3627	C6	SLES	1	-36.3693	-21.4456	27.4997	CTL2	3624	3628	3629	3630	-0.18	
-3628	H61	SLES	1	-36.716	-20.9701	26.5423	HAL2	3627	0	0	0	0.09	
-3629	H62	SLES	1	-35.6577	-22.2587	27.1934	HAL2	3627	0	0	0	0.09	
-3630	C7	SLES	1	-35.6604	-20.4158	28.3877	CTL2	3627	3631	3632	3633	-0.18	
-3631	H71	SLES	1	-36.2945	-19.5393	28.6604	HAL2	3630	0	0	0	0.09	
-3632	H72	SLES	1	-35.223	-20.844	29.3193	HAL2	3630	0	0	0	0.09	
-3633	C8	SLES	1	-34.5831	-20.0022	27.4518	CTL2	3630	3634	3635	3636	-0.18	
-3634	H81	SLES	1	-35.0974	-19.6037	26.5326	HAL2	3633	0	0	0	0.09	
-3635	H82	SLES	1	-34.0036	-20.937	27.2055	HAL2	3633	0	0	0	0.09	
-3636	C9	SLES	1	-33.5833	-18.9765	27.8581	CTL2	3633	3637	3638	3639	-0.18	
-3637	H91	SLES	1	-34.0924	-18.0152	28.0933	HAL2	3636	0	0	0	0.09	
-3638	H92	SLES	1	-33.0191	-19.3231	28.7529	HAL2	3636	0	0	0	0.09	
-3639	C10	SLES	1	-32.7288	-18.9132	26.5938	CTL2	3636	3640	3641	3642	-0.18	
-3640	H10	SLES	1	-33.3684	-18.6312	25.7142	HAL2	3639	0	0	0	0.09	
-3641	H10	SLES	1	-32.303	-19.929	26.3694	HAL2	3639	0	0	0	0.09	
-3642	C11	SLES	1	-31.5881	-17.9496	26.6482	CTL2	3639	3643	3644	3645	-0.18	
-3643	H11	SLES	1	-32.0159	-16.9399	26.8492	HAL2	3642	0	0	0	0.09	
-3644	H11	SLES	1	-30.9443	-18.2453	27.5088	HAL2	3642	0	0	0	0.09	
-3645	C12	SLES	1	-30.8253	-17.9928	25.3211	CTL3	3642	3646	3647	3648	-0.27	
-3646	H12	SLES	1	-30.8596	-17.0003	24.8312	HAL3	3645	0	0	0	0.09	
-3647	H12	SLES	1	-29.7801	-18.3151	25.4945	HAL3	3645	0	0	0	0.09	
-3648	H12	SLES	1	-31.2682	-18.7216	24.5984	HAL3	3645	0	0	0	0.09	
-3649	NA	SLES	1	-39.6821	-39.2898	36.3469	NA	0	0	0	0	1	
-3650	S	SLES	1	-39.5156	-39.6332	33.3421	SL	3651	3652	3653	3654	1.33	
-3651	OS1	SLES	1	-38.5653	-38.5515	33.6522	OSL	3650	3655	0	0	-0.28	
-3652	OS2	SLES	1	-40.5969	-38.899	33.9605	O2L	3650	0	0	0	-0.65	
-3653	OS3	SLES	1	-38.8128	-40.542	34.2181	O2L	3650	0	0	0	-0.65	
-3654	OS4	SLES	1	-39.4834	-39.8197	31.9187	O2L	3650	0	0	0	-0.65	
-3655	C2	SLES	1	-37.7556	-37.8652	32.7835	CC32A	3651	3656	3657	3658	-0.11	
-3656	H2A	SLES	1	-38.3664	-37.3293	32.0099	HCA2	3655	0	0	0	0.09	
-3657	H2B	SLES	1	-37.0295	-38.5575	32.2804	HCA2	3655	0	0	0	0.09	
-3658	C1	SLES	1	-37.0386	-36.8739	33.7253	CC32A	3655	3659	3660	3661	-0.01	
-3659	H1B	SLES	1	-37.7769	-36.2103	34.2458	HCA2	3658	0	0	0	0.09	
-3660	H1A	SLES	1	-36.4413	-37.4191	34.4967	HCA2	3658	0	0	0	0.09	
-3661	O1	SLES	1	-36.1182	-35.9833	33.1832	OC30A	3658	3662	0	0	-0.34	
-3662	C2	SLES	1	-35.9021	-36.0201	31.7844	CC32A	3661	3663	3664	3665	-0.01	
-3663	H2A	SLES	1	-36.8633	-35.8137	31.2322	HCA2	3662	0	0	0	0.09	
-3664	H2B	SLES	1	-35.5164	-37.015	31.4605	HCA2	3662	0	0	0	0.09	
-3665	C1	SLES	1	-34.993	-34.7522	31.9766	CC32A	3662	3666	3667	3668	-0.01	
-3666	H1B	SLES	1	-35.6543	-34.1707	31.3207	HCA2	3665	0	0	0	0.09	
-3667	H1A	SLES	1	-34.1966	-35.5045	31.627	HCA2	3665	0	0	0	0.09	
-3668	O1	SLES	1	-33.8926	-33.8875	31.8616	OC30A	3665	3669	0	0	-0.34	
-3669	C1	SLES	1	-33.4724	-33.5069	30.5591	CTL2	3668	3670	3671	3672	-0.18	
-3670	H11	SLES	1	-34.2847	-33.1696	29.8565	HAL2	3669	0	0	0	0.09	
-3671	H12	SLES	1	-32.9372	-34.3532	30.0591	HAL2	3669	0	0	0	0.09	
-3672	C2	SLES	1	-32.5318	-32.3614	30.9309	CTL2	3669	3673	3674	3675	-0.18	
-3673	H21	SLES	1	-33.0557	-31.4823	31.3774	HAL2	3672	0	0	0	0.09	
-3674	H22	SLES	1	-31.7057	-32.6768	31.6138	HAL2	3672	0	0	0	0.09	
-3675	C3	SLES	1	-31.9546	-31.9731	29.6301	CTL2	3672	3676	3677	3678	-0.18	
-3676	H31	SLES	1	-32.8368	-31.6735	29.0012	HAL2	3675	0	0	0	0.09	
-3677	H32	SLES	1	-31.4544	-32.9045	29.2454	HAL2	3675	0	0	0	0.09	
-3678	C4	SLES	1	-30.9506	-30.8713	29.5248	CTL2	3675	3679	3680	3681	-0.18	
-3679	H41	SLES	1	-31.3715	-29.9009	29.8864	HAL2	3678	0	0	0	0.09	
-3680	H42	SLES	1	-30.0366	-31.0951	30.1235	HAL2	3678	0	0	0	0.09	
-3681	C5	SLES	1	-30.7303	-30.9262	28.007	CTL2	3678	3682	3683	3684	-0.18	
-3682	H51	SLES	1	-31.699	-30.7668	27.4628	HAL2	3681	0	0	0	0.09	
-3683	H52	SLES	1	-30.3792	-31.9457	27.6975	HAL2	3681	0	0	0	0.09	
-3684	C6	SLES	1	-29.7747	-29.9703	27.4357	CTL2	3681	3685	3686	3687	-0.18	
-3685	H61	SLES	1	-30.3355	-29.3992	26.6469	HAL2	3684	0	0	0	0.09	
-3686	H62	SLES	1	-29.0119	-30.5812	26.8824	HAL2	3684	0	0	0	0.09	
-3687	C7	SLES	1	-29.0883	-29.0081	28.4128	CTL2	3684	3688	3689	3690	-0.18	
-3688	H71	SLES	1	-29.7899	-28.3165	28.9362	HAL2	3687	0	0	0	0.09	
-3689	H72	SLES	1	-28.4499	-29.5132	29.1743	HAL2	3687	0	0	0	0.09	
-3690	C8	SLES	1	-28.2462	-28.2557	27.4472	CTL2	3687	3691	3692	3693	-0.18	
-3691	H81	SLES	1	-28.9534	-27.7949	26.7018	HAL2	3690	0	0	0	0.09	
-3692	H82	SLES	1	-27.5852	-29.018	26.9448	HAL2	3690	0	0	0	0.09	
-3693	C9	SLES	1	-27.3524	-27.1619	27.9179	CTL2	3690	3694	3695	3696	-0.18	
-3694	H91	SLES	1	-27.9502	-26.3599	28.4058	HAL2	3693	0	0	0	0.09	
-3695	H92	SLES	1	-26.6078	-27.5595	28.6437	HAL2	3693	0	0	0	0.09	
-3696	C10	SLES	1	-26.7301	-26.7289	26.5921	CTL2	3693	3697	3698	3699	-0.18	
-3697	H10	SLES	1	-27.5365	-26.4096	25.8779	HAL2	3696	0	0	0	0.09	
-3698	H10	SLES	1	-26.2041	-27.6	26.1146	HAL2	3696	0	0	0	0.09	
-3699	C11	SLES	1	-25.7463	-25.6086	26.6903	CTL2	3696	3700	3701	3702	-0.18	
-3700	H11	SLES	1	-26.2772	-24.7396	27.1442	HAL2	3699	0	0	0	0.09	
-3701	H11	SLES	1	-24.9369	-25.9372	27.3827	HAL2	3699	0	0	0	0.09	
-3702	C12	SLES	1	-25.2084	-25.2834	25.294	CTL3	3699	3703	3704	3705	-0.27	
-3703	H12	SLES	1	-25.4635	-24.2407	25.0224	HAL3	3702	0	0	0	0.09	
-3704	H12	SLES	1	-24.1135	-25.4467	25.2617	HAL3	3702	0	0	0	0.09	
-3705	H12	SLES	1	-25.6519	-25.9375	24.5034	HAL3	3702	0	0	0	0.09	
-3706	NA	SLES	1	-27.6934	-48.4906	36.3488	NA	0	0	0	0	1	
-3707	S	SLES	1	-28.0868	-48.4066	33.3467	SL	3708	3709	3710	3711	1.33	
-3708	OS1	SLES	1	-27.2595	-47.2271	33.6526	OSL	3707	3712	0	0	-0.28	
-3709	OS2	SLES	1	-29.1159	-47.9562	34.257	O2L	3707	0	0	0	-0.65	
-3710	OS3	SLES	1	-27.0987	-49.287	33.9264	O2L	3707	0	0	0	-0.65	
-3711	OS4	SLES	1	-28.3149	-48.3982	31.929	O2L	3707	0	0	0	-0.65	
-3712	C2	SLES	1	-26.7484	-46.3047	32.7756	CC32A	3708	3713	3714	3715	-0.11	
-3713	H2A	SLES	1	-27.573	-45.786	32.219	HCA2	3712	0	0	0	0.09	
-3714	H2B	SLES	1	-26.0463	-46.7903	32.047	HCA2	3712	0	0	0	0.09	
-3715	C1	SLES	1	-26.0072	-45.3357	33.7218	CC32A	3712	3716	3717	3718	-0.01	
-3716	H1B	SLES	1	-26.7135	-44.8825	34.4649	HCA2	3715	0	0	0	0.09	
-3717	H1A	SLES	1	-25.1948	-45.8656	34.2772	HCA2	3715	0	0	0	0.09	
-3718	O1	SLES	1	-25.3527	-44.2372	33.1751	OC30A	3715	3719	0	0	-0.34	
-3719	C2	SLES	1	-25.4192	-44.0541	31.7726	CC32A	3718	3720	3721	3722	-0.01	
-3720	H2A	SLES	1	-26.4913	-43.9462	31.4403	HCA2	3719	0	0	0	0.09	
-3721	H2B	SLES	1	-24.9673	-44.917	31.2299	HCA2	3719	0	0	0	0.09	
-3722	C1	SLES	1	-24.6823	-42.6846	32.0013	CC32A	3719	3723	3724	3725	-0.01	
-3723	H1B	SLES	1	-25.5387	-42.1453	31.5754	HCA2	3722	0	0	0	0.09	
-3724	H1A	SLES	1	-23.8726	-43.2366	31.3997	HCA2	3722	0	0	0	0.09	
-3725	O1	SLES	1	-23.7638	-41.6358	31.8331	OC30A	3722	3726	0	0	-0.34	
-3726	C1	SLES	1	-23.6734	-41.0225	30.5549	CTL2	3725	3727	3728	3729	-0.18	
-3727	H11	SLES	1	-24.6503	-40.7417	30.0712	HAL2	3726	0	0	0	0.09	
-3728	H12	SLES	1	-23.1334	-41.6918	29.8386	HAL2	3726	0	0	0	0.09	
-3729	C2	SLES	1	-22.8523	-39.7905	30.9329	CTL2	3726	3730	3731	3732	-0.18	
-3730	H21	SLES	1	-23.3967	-39.0803	31.6006	HAL2	3729	0	0	0	0.09	
-3731	H22	SLES	1	-21.869	-40.0449	31.3985	HAL2	3729	0	0	0	0.09	
-3732	C3	SLES	1	-22.6105	-39.1427	29.6297	CTL2	3729	3733	3734	3735	-0.18	
-3733	H31	SLES	1	-23.6348	-38.9204	29.2239	HAL2	3732	0	0	0	0.09	
-3734	H32	SLES	1	-22.0689	-39.9162	29.0178	HAL2	3732	0	0	0	0.09	
-3735	C4	SLES	1	-21.8175	-37.8804	29.526	CTL2	3732	3736	3737	3738	-0.18	
-3736	H41	SLES	1	-22.2925	-37.0523	30.1078	HAL2	3735	0	0	0	0.09	
-3737	H42	SLES	1	-20.7793	-38.0194	29.909	HAL2	3735	0	0	0	0.09	
-3738	C5	SLES	1	-21.9013	-37.6988	28.0045	CTL2	3735	3739	3740	3741	-0.18	
-3739	H51	SLES	1	-22.9723	-37.6392	27.6737	HAL2	3738	0	0	0	0.09	
-3740	H52	SLES	1	-21.4765	-38.5936	27.478	HAL2	3738	0	0	0	0.09	
-3741	C6	SLES	1	-21.228	-36.5266	27.4336	CTL2	3738	3742	3743	3744	-0.18	
-3742	H61	SLES	1	-22.0122	-35.9629	26.859	HAL2	3741	0	0	0	0.09	
-3743	H62	SLES	1	-20.5121	-36.9199	26.6628	HAL2	3741	0	0	0	0.09	
-3744	C7	SLES	1	-20.505	-35.5959	28.4148	CTL2	3741	3745	3746	3747	-0.18	
-3745	H71	SLES	1	-21.1792	-35.1094	29.1587	HAL2	3744	0	0	0	0.09	
-3746	H72	SLES	1	-19.6606	-36.0783	28.9597	HAL2	3744	0	0	0	0.09	
-3747	C8	SLES	1	-19.9916	-34.5908	27.4485	CTL2	3744	3748	3749	3750	-0.18	
-3748	H81	SLES	1	-20.8931	-34.1656	26.9244	HAL2	3747	0	0	0	0.09	
-3749	H82	SLES	1	-19.3424	-35.156	26.7209	HAL2	3747	0	0	0	0.09	
-3750	C9	SLES	1	-19.1885	-33.4301	27.9225	CTL2	3747	3751	3752	3753	-0.18	
-3751	H91	SLES	1	-19.7852	-32.8133	28.6311	HAL2	3750	0	0	0	0.09	
-3752	H92	SLES	1	-18.2639	-33.7845	28.4311	HAL2	3750	0	0	0	0.09	
-3753	C10	SLES	1	-18.9145	-32.7278	26.5942	CTL2	3750	3754	3755	3756	-0.18	
-3754	H10	SLES	1	-19.8854	-32.462	26.0953	HAL2	3753	0	0	0	0.09	
-3755	H10	SLES	1	-18.3753	-33.4258	25.8973	HAL2	3753	0	0	0	0.09	
-3756	C11	SLES	1	-18.1029	-31.4773	26.6947	CTL2	3753	3757	3758	3759	-0.18	
-3757	H11	SLES	1	-18.6513	-30.7791	27.3692	HAL2	3756	0	0	0	0.09	
-3758	H11	SLES	1	-17.1321	-31.7488	27.1705	HAL2	3756	0	0	0	0.09	
-3759	C12	SLES	1	-17.9093	-30.8857	25.2957	CTL3	3756	3760	3761	3762	-0.27	
-3760	H12	SLES	1	-18.3613	-29.8761	25.2447	HAL3	3759	0	0	0	0.09	
-3761	H12	SLES	1	-16.8314	-30.8524	25.0437	HAL3	3759	0	0	0	0.09	
-3762	H12	SLES	1	-18.4037	-31.4979	24.5019	HAL3	3759	0	0	0	0.09	
-3763	NA	SLES	1	-13.7093	-54.1918	36.2216	NA	0	0	0	0	1	
-3764	S	SLES	1	-14.7843	-53.9548	33.3998	SL	3765	3766	3767	3768	1.33	
-3765	OS1	SLES	1	-14.0928	-52.6785	33.6493	OSL	3764	3769	0	0	-0.28	
-3766	OS2	SLES	1	-15.6339	-53.7522	34.5521	O2L	3764	0	0	0	-0.65	
-3767	OS3	SLES	1	-13.5712	-54.6964	33.656	O2L	3764	0	0	0	-0.65	
-3768	OS4	SLES	1	-15.3281	-53.8806	32.0729	O2L	3764	0	0	0	-0.65	
-3769	C2	SLES	1	-13.9371	-51.6213	32.7895	CC32A	3765	3770	3771	3772	-0.11	
-3770	H2A	SLES	1	-14.9342	-51.2093	32.4814	HCA2	3769	0	0	0	0.09	
-3771	H2B	SLES	1	-13.3556	-51.9268	31.8795	HCA2	3769	0	0	0	0.09	
-3772	C1	SLES	1	-13.1514	-50.6136	33.656	CC32A	3769	3773	3774	3775	-0.01	
-3773	H1B	SLES	1	-13.7288	-50.3417	34.5774	HCA2	3772	0	0	0	0.09	
-3774	H1A	SLES	1	-12.1646	-51.0384	33.9643	HCA2	3772	0	0	0	0.09	
-3775	O1	SLES	1	-12.8084	-49.3833	33.1055	OC30A	3772	3776	0	0	-0.34	
-3776	C2	SLES	1	-13.219	-49.1114	31.778	CC32A	3775	3777	3778	3779	-0.01	
-3777	H2A	SLES	1	-14.3425	-49.1615	31.6956	HCA2	3776	0	0	0	0.09	
-3778	H2B	SLES	1	-12.7802	-49.8437	31.0606	HCA2	3776	0	0	0	0.09	
-3779	C1	SLES	1	-12.6601	-47.658	31.9925	CC32A	3776	3780	3781	3782	-0.01	
-3780	H1B	SLES	1	-13.6611	-47.2408	31.8202	HCA2	3779	0	0	0	0.09	
-3781	H1A	SLES	1	-11.9363	-48.02	31.1755	HCA2	3779	0	0	0	0.09	
-3782	O1	SLES	1	-11.9695	-46.46	31.7478	OC30A	3779	3783	0	0	-0.34	
-3783	C1	SLES	1	-12.2643	-45.748	30.5545	CTL2	3782	3784	3785	3786	-0.18	
-3784	H11	SLES	1	-13.3563	-45.6008	30.3237	HAL2	3783	0	0	0	0.09	
-3785	H12	SLES	1	-11.809	-46.2622	29.6709	HAL2	3783	0	0	0	0.09	
-3786	C2	SLES	1	-11.5701	-44.4264	30.8809	CTL2	3783	3787	3788	3789	-0.18	
-3787	H21	SLES	1	-12.047	-43.8691	31.7227	HAL2	3786	0	0	0	0.09	
-3788	H22	SLES	1	-10.4801	-44.5453	31.0957	HAL2	3786	0	0	0	0.09	
-3789	C3	SLES	1	-11.7301	-43.6532	29.6348	CTL2	3786	3790	3791	3792	-0.18	
-3790	H31	SLES	1	-12.8412	-43.5773	29.4834	HAL2	3789	0	0	0	0.09	
-3791	H32	SLES	1	-11.234	-44.2773	28.8409	HAL2	3789	0	0	0	0.09	
-3792	C4	SLES	1	-11.1771	-42.2712	29.5029	CTL2	3789	3793	3794	3795	-0.18	
-3793	H41	SLES	1	-11.6241	-41.58	30.2593	HAL2	3792	0	0	0	0.09	
-3794	H42	SLES	1	-10.0701	-42.2612	29.6384	HAL2	3792	0	0	0	0.09	
-3795	C5	SLES	1	-11.6313	-41.9949	28.0633	CTL2	3792	3796	3797	3798	-0.18	
-3796	H51	SLES	1	-12.7462	-42.0923	27.9769	HAL2	3795	0	0	0	0.09	
-3797	H52	SLES	1	-11.2101	-42.7643	27.3639	HAL2	3795	0	0	0	0.09	
-3798	C6	SLES	1	-11.2866	-40.6874	27.4934	CTL2	3795	3799	3800	3801	-0.18	
-3799	H61	SLES	1	-12.2556	-40.2231	27.1642	HAL2	3798	0	0	0	0.09	
-3800	H62	SLES	1	-10.7151	-40.8967	26.5495	HAL2	3798	0	0	0	0.09	
-3801	C7	SLES	1	-10.5048	-39.723	28.3936	CTL2	3798	3802	3803	3804	-0.18	
-3802	H71	SLES	1	-11.0561	-39.4129	29.3126	HAL2	3801	0	0	0	0.09	
-3803	H72	SLES	1	-9.49666	-40.095	28.6901	HAL2	3801	0	0	0	0.09	
-3804	C8	SLES	1	-10.3795	-38.5774	27.4557	CTL2	3801	3805	3806	3807	-0.18	
-3805	H81	SLES	1	-11.4293	-38.2728	27.1853	HAL2	3804	0	0	0	0.09	
-3806	H82	SLES	1	-9.83687	-38.9702	26.5493	HAL2	3804	0	0	0	0.09	
-3807	C9	SLES	1	-9.67008	-37.3361	27.8714	CTL2	3804	3808	3809	3810	-0.18	
-3808	H91	SLES	1	-10.1741	-36.8823	28.7539	HAL2	3807	0	0	0	0.09	
-3809	H92	SLES	1	-8.61196	-37.5662	28.1295	HAL2	3807	0	0	0	0.09	
-3810	C10	SLES	1	-9.81284	-36.502	26.6	CTL2	3807	3811	3812	3813	-0.18	
-3811	H10	SLES	1	-10.9002	-36.3675	26.3515	HAL2	3810	0	0	0	0.09	
-3812	H10	SLES	1	-9.34958	-37.0461	25.7323	HAL2	3810	0	0	0	0.09	
-3813	C11	SLES	1	-9.19369	-35.1435	26.6611	CTL2	3810	3814	3815	3816	-0.18	
-3814	H11	SLES	1	-9.67096	-34.5991	27.509	HAL2	3813	0	0	0	0.09	
-3815	H11	SLES	1	-8.11087	-35.2819	26.8865	HAL2	3813	0	0	0	0.09	
-3816	C12	SLES	1	-9.41358	-34.4265	25.3261	CTL3	3813	3817	3818	3819	-0.27	
-3817	H12	SLES	1	-10.0094	-33.5065	25.483	HAL3	3816	0	0	0	0.09	
-3818	H12	SLES	1	-8.43854	-34.1938	24.8553	HAL3	3816	0	0	0	0.09	
-3819	H12	SLES	1	-9.9798	-35.0531	24.5939	HAL3	3816	0	0	0	0.09	
-3820	NA	SLES	1	1.2519	-55.996	35.974	NA	0	0	0	0	1	
-3821	S	SLES	1	-0.48998	-55.9022	33.4978	SL	3822	3823	3824	3825	1.33	
-3822	OS1	SLES	1	0.0356554	-54.5339	33.6423	OSL	3821	3826	0	0	-0.28	
-3823	OS2	SLES	1	-1.06018	-55.8537	34.8257	O2L	3821	0	0	0	-0.65	
-3824	OS3	SLES	1	0.848698	-56.4407	33.4254	O2L	3821	0	0	0	-0.65	
-3825	OS4	SLES	1	-1.34	-55.901	32.3405	O2L	3821	0	0	0	-0.65	
-3826	C2	SLES	1	-0.183811	-53.4551	32.8242	CC32A	3822	3827	3828	3829	-0.11	
-3827	H2A	SLES	1	-1.27696	-53.2063	32.7792	HCA2	3826	0	0	0	0.09	
-3828	H2B	SLES	1	0.203164	-53.6515	31.7892	HCA2	3826	0	0	0	0.09	
-3829	C1	SLES	1	0.621073	-52.344	33.5322	CC32A	3826	3830	3831	3832	-0.01	
-3830	H1B	SLES	1	0.245908	-52.1803	34.5756	HCA2	3829	0	0	0	0.09	
-3831	H1A	SLES	1	1.7063	-52.6073	33.5792	HCA2	3829	0	0	0	0.09	
-3832	O1	SLES	1	0.6284	-51.068	32.9793	OC30A	3829	3833	0	0	-0.34	
-3833	C2	SLES	1	-0.124691	-50.8501	31.8002	CC32A	3832	3834	3835	3836	-0.01	
-3834	H2A	SLES	1	-1.21367	-51.0804	31.9807	HCA2	3833	0	0	0	0.09	
-3835	H2B	SLES	1	0.23748	-51.493	30.9641	HCA2	3833	0	0	0	0.09	
-3836	C1	SLES	1	0.238069	-49.3281	31.9506	CC32A	3833	3837	3838	3839	-0.01	
-3837	H1B	SLES	1	-0.827066	-49.0763	32.0387	HCA2	3836	0	0	0	0.09	
-3838	H1A	SLES	1	0.792486	-49.5583	30.9698	HCA2	3836	0	0	0	0.09	
-3839	O1	SLES	1	0.656792	-48.0313	31.6116	OC30A	3836	3840	0	0	-0.34	
-3840	C1	SLES	1	-0.0211082	-47.362	30.5578	CTL2	3839	3841	3842	3843	-0.18	
-3841	H11	SLES	1	-1.1458	-47.3908	30.5967	HAL2	3840	0	0	0	0.09	
-3842	H12	SLES	1	0.28348	-47.7851	29.5675	HAL2	3840	0	0	0	0.09	
-3843	C2	SLES	1	0.518503	-45.9496	30.7786	CTL2	3840	3844	3845	3846	-0.18	
-3844	H21	SLES	1	0.176663	-45.487	31.7356	HAL2	3843	0	0	0	0.09	
-3845	H22	SLES	1	1.63312	-45.893	30.726	HAL2	3843	0	0	0	0.09	
-3846	C3	SLES	1	-0.0521241	-45.1975	29.645	CTL2	3843	3847	3848	3849	-0.18	
-3847	H31	SLES	1	-1.16526	-45.3006	29.7619	HAL2	3846	0	0	0	0.09	
-3848	H32	SLES	1	0.329941	-45.7234	28.7268	HAL2	3846	0	0	0	0.09	
-3849	C4	SLES	1	0.233177	-43.7427	29.457	CTL2	3846	3850	3851	3852	-0.18	
-3850	H41	SLES	1	-0.121143	-43.1421	30.3308	HAL2	3849	0	0	0	0.09	
-3851	H42	SLES	1	1.32523	-43.5553	29.3299	HAL2	3849	0	0	0	0.09	
-3852	C5	SLES	1	-0.589096	-43.5263	28.1795	CTL2	3849	3853	3854	3855	-0.18	
-3853	H51	SLES	1	-1.66356	-43.8018	28.3516	HAL2	3852	0	0	0	0.09	
-3854	H52	SLES	1	-0.233893	-44.2088	27.3632	HAL2	3852	0	0	0	0.09	
-3855	C6	SLES	1	-0.596769	-42.1734	27.6112	CTL2	3852	3856	3857	3858	-0.18	
-3856	H61	SLES	1	-1.67606	-41.8681	27.5416	HAL2	3855	0	0	0	0.09	
-3857	H62	SLES	1	-0.242321	-42.2761	26.5505	HAL2	3855	0	0	0	0.09	
-3858	C7	SLES	1	0.219079	-41.1061	28.3506	CTL2	3855	3859	3860	3861	-0.18	
-3859	H71	SLES	1	-0.137471	-40.9005	29.3876	HAL2	3858	0	0	0	0.09	
-3860	H72	SLES	1	1.31388	-41.3135	28.3838	HAL2	3858	0	0	0	0.09	
-3861	C8	SLES	1	-0.0617829	-39.9441	27.4683	CTL2	3858	3862	3863	3864	-0.18	
-3862	H81	SLES	1	-1.1799	-39.8102	27.4668	HAL2	3861	0	0	0	0.09	
-3863	H82	SLES	1	0.302254	-40.233	26.4414	HAL2	3861	0	0	0	0.09	
-3864	C9	SLES	1	0.526095	-38.6095	27.7681	CTL2	3861	3865	3866	3867	-0.18	
-3865	H91	SLES	1	0.183926	-38.2539	28.7657	HAL2	3864	0	0	0	0.09	
-3866	H92	SLES	1	1.63769	-38.6684	27.7595	HAL2	3864	0	0	0	0.09	
-3867	C10	SLES	1	-0.0435056	-37.7942	26.6091	CTL2	3864	3868	3869	3870	-0.18	
-3868	H10	SLES	1	-1.1661	-37.8345	26.6291	HAL2	3867	0	0	0	0.09	
-3869	H10	SLES	1	0.277096	-38.2456	25.6309	HAL2	3867	0	0	0	0.09	
-3870	C11	SLES	1	0.355008	-36.3543	26.5917	CTL2	3867	3871	3872	3873	-0.18	
-3871	H11	SLES	1	0.0162057	-35.9046	27.554	HAL2	3870	0	0	0	0.09	
-3872	H11	SLES	1	1.46831	-36.3183	26.5502	HAL2	3870	0	0	0	0.09	
-3873	C12	SLES	1	-0.285688	-35.6662	25.383	CTL3	3870	3874	3875	3876	-0.27	
-3874	H12	SLES	1	-0.961353	-34.8568	25.7212	HAL3	3873	0	0	0	0.09	
-3875	H12	SLES	1	0.500563	-35.2731	24.7094	HAL3	3873	0	0	0	0.09	
-3876	H12	SLES	1	-0.906853	-36.3674	24.7732	HAL3	3873	0	0	0	0.09	
-3877	NA	SLES	1	16.1096	-53.8054	35.6229	NA	0	0	0	0	1	
-3878	S	SLES	1	13.8449	-54.106	33.6341	SL	3879	3880	3881	3882	1.33	
-3879	OS1	SLES	1	14.1611	-52.6675	33.6322	OSL	3878	3883	0	0	-0.28	
-3880	OS2	SLES	1	13.6013	-54.0795	35.0591	O2L	3878	0	0	0	-0.65	
-3881	OS3	SLES	1	15.1984	-54.4344	33.2502	O2L	3878	0	0	0	-0.65	
-3882	OS4	SLES	1	12.7589	-54.2942	32.7137	O2L	3878	0	0	0	-0.65	
-3883	C2	SLES	1	13.5846	-51.678	32.8774	CC32A	3879	3884	3885	3886	-0.11	
-3884	H2A	SLES	1	12.4859	-51.6035	33.0921	HCA2	3883	0	0	0	0.09	
-3885	H2B	SLES	1	13.7451	-51.8641	31.7823	HCA2	3883	0	0	0	0.09	
-3886	C1	SLES	1	14.3421	-50.4219	33.3589	CC32A	3883	3887	3888	3889	-0.01	
-3887	H1B	SLES	1	14.2002	-50.2658	34.4598	HCA2	3886	0	0	0	0.09	
-3888	H1A	SLES	1	15.4361	-50.5118	33.1483	HCA2	3886	0	0	0	0.09	
-3889	O1	SLES	1	14.0132	-49.1894	32.805	OC30A	3886	3890	0	0	-0.34	
-3890	C2	SLES	1	12.98	-49.1499	31.8376	CC32A	3889	3891	3892	3893	-0.01	
-3891	H2A	SLES	1	12.0155	-49.5361	32.276	HCA2	3890	0	0	0	0.09	
-3892	H2B	SLES	1	13.2355	-49.7704	30.947	HCA2	3890	0	0	0	0.09	
-3893	C1	SLES	1	13.1166	-47.5845	31.8786	CC32A	3890	3894	3895	3896	-0.01	
-3894	H1B	SLES	1	12.0754	-47.496	32.2158	HCA2	3893	0	0	0	0.09	
-3895	H1A	SLES	1	13.4557	-47.7754	30.7965	HCA2	3893	0	0	0	0.09	
-3896	O1	SLES	1	13.2287	-46.2573	31.4337	OC30A	3893	3897	0	0	-0.34	
-3897	C1	SLES	1	12.2239	-45.7545	30.5646	CTL2	3896	3898	3899	3900	-0.18	
-3898	H11	SLES	1	11.1594	-45.9545	30.8717	HAL2	3897	0	0	0	0.09	
-3899	H12	SLES	1	12.3525	-46.1747	29.5354	HAL2	3897	0	0	0	0.09	
-3900	C2	SLES	1	12.5642	-44.2664	30.6329	CTL2	3897	3901	3902	3903	-0.18	
-3901	H21	SLES	1	12.3857	-43.8146	31.6382	HAL2	3900	0	0	0	0.09	
-3902	H22	SLES	1	13.6113	-44.0412	30.3147	HAL2	3900	0	0	0	0.09	
-3903	C3	SLES	1	11.6301	-43.6693	29.6597	CTL2	3900	3904	3905	3906	-0.18	
-3904	H31	SLES	1	10.6071	-43.9369	30.0406	HAL2	3903	0	0	0	0.09	
-3905	H32	SLES	1	11.8666	-44.1755	28.6831	HAL2	3903	0	0	0	0.09	
-3906	C4	SLES	1	11.6241	-42.1993	29.3914	CTL2	3903	3907	3908	3909	-0.18	
-3907	H41	SLES	1	11.3918	-41.6174	30.3172	HAL2	3906	0	0	0	0.09	
-3908	H42	SLES	1	12.611	-41.8522	29.0046	HAL2	3906	0	0	0	0.09	
-3909	C5	SLES	1	10.5018	-42.1768	28.345	CTL2	3906	3910	3911	3912	-0.18	
-3910	H51	SLES	1	9.55665	-42.6058	28.7724	HAL2	3909	0	0	0	0.09	
-3911	H52	SLES	1	10.7617	-42.8365	27.4758	HAL2	3909	0	0	0	0.09	
-3912	C6	SLES	1	10.1424	-40.8716	27.7788	CTL2	3909	3913	3914	3915	-0.18	
-3913	H61	SLES	1	9.04209	-40.7404	27.9657	HAL2	3912	0	0	0	0.09	
-3914	H62	SLES	1	10.2505	-40.9715	26.6654	HAL2	3912	0	0	0	0.09	
-3915	C7	SLES	1	10.9249	-39.6553	28.2888	CTL2	3912	3916	3917	3918	-0.18	
-3916	H71	SLES	1	10.7925	-39.4554	29.3784	HAL2	3915	0	0	0	0.09	
-3917	H72	SLES	1	12.0158	-39.6894	28.0617	HAL2	3915	0	0	0	0.09	
-3918	C8	SLES	1	10.261	-38.5965	27.4853	CTL2	3915	3919	3920	3921	-0.18	
-3919	H81	SLES	1	9.16711	-38.6369	27.7496	HAL2	3918	0	0	0	0.09	
-3920	H82	SLES	1	10.4164	-38.8769	26.4047	HAL2	3918	0	0	0	0.09	
-3921	C9	SLES	1	10.6788	-37.1737	27.6198	CTL2	3918	3922	3923	3924	-0.18	
-3922	H91	SLES	1	10.5267	-36.8256	28.6659	HAL2	3921	0	0	0	0.09	
-3923	H92	SLES	1	11.7519	-37.0607	27.3463	HAL2	3921	0	0	0	0.09	
-3924	C10	SLES	1	9.72943	-36.5154	26.6208	CTL2	3921	3925	3926	3927	-0.18	
-3925	H10	SLES	1	8.66447	-36.7274	26.9092	HAL2	3924	0	0	0	0.09	
-3926	H10	SLES	1	9.88085	-36.9605	25.5998	HAL2	3924	0	0	0	0.09	
-3927	C11	SLES	1	9.87435	-35.0339	26.4913	CTL2	3924	3928	3929	3930	-0.18	
-3928	H11	SLES	1	9.70203	-34.5941	27.5013	HAL2	3927	0	0	0	0.09	
-3929	H11	SLES	1	10.9261	-34.8287	26.1843	HAL2	3927	0	0	0	0.09	
-3930	C12	SLES	1	8.86583	-34.5146	25.4627	CTL3	3927	3931	3932	3933	-0.27	
-3931	H12	SLES	1	8.16624	-33.8032	25.9428	HAL3	3930	0	0	0	0.09	
-3932	H12	SLES	1	9.39826	-34.0393	24.6159	HAL3	3930	0	0	0	0.09	
-3933	H12	SLES	1	8.24109	-35.333	25.0276	HAL3	3930	0	0	0	0.09	
-3934	NA	SLES	1	29.8108	-47.8213	35.1922	NA	0	0	0	0	1	
-3935	S	SLES	1	27.2581	-48.6686	33.7994	SL	3936	3937	3938	3939	1.33	
-3936	OS1	SLES	1	27.3198	-47.208	33.6197	OSL	3935	3940	0	0	-0.28	
-3937	OS2	SLES	1	27.3228	-48.523	35.2365	O2L	3935	0	0	0	-0.65	
-3938	OS3	SLES	1	28.5342	-48.8332	33.1423	O2L	3935	0	0	0	-0.65	
-3939	OS4	SLES	1	26.0485	-49.1145	33.167	O2L	3935	0	0	0	-0.65	
-3940	C2	SLES	1	26.4375	-46.403	32.9455	CC32A	3936	3941	3942	3943	-0.11	
-3941	H2A	SLES	1	25.4133	-46.4687	33.3987	HCA2	3940	0	0	0	0.09	
-3942	H2B	SLES	1	26.39	-46.6817	31.8593	HCA2	3940	0	0	0	0.09	
-3943	C1	SLES	1	27.0577	-45.0037	33.148	CC32A	3940	3944	3945	3946	-0.01	
-3944	H1B	SLES	1	27.1294	-44.7511	34.2377	HCA2	3943	0	0	0	0.09	
-3945	H1A	SLES	1	28.0807	-44.9533	32.7008	HCA2	3943	0	0	0	0.09	
-3946	O1	SLES	1	26.4155	-43.9013	32.5945	OC30A	3943	3947	0	0	-0.34	
-3947	C2	SLES	1	25.2083	-44.1207	31.8878	CC32A	3946	3948	3949	3950	-0.01	
-3948	H2A	SLES	1	24.4386	-44.595	32.5616	HCA2	3947	0	0	0	0.09	
-3949	H2B	SLES	1	25.3689	-44.7901	31.0105	HCA2	3947	0	0	0	0.09	
-3950	C1	SLES	1	25.085	-42.5573	31.7814	CC32A	3947	3951	3952	3953	-0.01	
-3951	H1B	SLES	1	24.1398	-42.5875	32.3395	HCA2	3950	0	0	0	0.09	
-3952	H1A	SLES	1	25.2129	-42.8129	30.6675	HCA2	3950	0	0	0	0.09	
-3953	O1	SLES	1	24.8746	-41.2847	31.2263	OC30A	3950	3954	0	0	-0.34	
-3954	C1	SLES	1	23.6377	-41.0338	30.5744	CTL2	3953	3955	3956	3957	-0.18	
-3955	H11	SLES	1	22.7124	-41.3542	31.1298	HAL2	3954	0	0	0	0.09	
-3956	H12	SLES	1	23.6129	-41.5402	29.5767	HAL2	3954	0	0	0	0.09	
-3957	C2	SLES	1	23.7292	-39.5133	30.4538	CTL2	3954	3958	3959	3960	-0.18	
-3958	H21	SLES	1	23.6955	-38.9858	31.4373	HAL2	3957	0	0	0	0.09	
-3959	H22	SLES	1	24.6312	-39.1719	29.8897	HAL2	3957	0	0	0	0.09	
-3960	C3	SLES	1	22.5223	-39.1706	29.6778	CTL2	3957	3961	3962	3963	-0.18	
-3961	H31	SLES	1	21.6639	-39.5433	30.3005	HAL2	3960	0	0	0	0.09	
-3962	H32	SLES	1	22.627	-39.7398	28.713	HAL2	3960	0	0	0	0.09	
-3963	C4	SLES	1	22.2119	-37.7558	29.3106	CTL2	3960	3964	3965	3966	-0.18	
-3964	H41	SLES	1	22.0876	-37.1171	30.2197	HAL2	3963	0	0	0	0.09	
-3965	H42	SLES	1	23.0207	-37.3109	28.6847	HAL2	3963	0	0	0	0.09	
-3966	C5	SLES	1	20.9049	-38.0137	28.5488	CTL2	3963	3967	3968	3969	-0.18	
-3967	H51	SLES	1	20.1586	-38.5285	29.2106	HAL2	3966	0	0	0	0.09	
-3968	H52	SLES	1	21.0809	-38.7187	27.6941	HAL2	3966	0	0	0	0.09	
-3969	C6	SLES	1	20.2186	-36.8456	27.9849	CTL2	3966	3970	3971	3972	-0.18	
-3970	H61	SLES	1	19.1774	-36.859	28.4074	HAL2	3969	0	0	0	0.09	
-3971	H62	SLES	1	20.1022	-37.0494	26.8866	HAL2	3969	0	0	0	0.09	
-3972	C7	SLES	1	20.8756	-35.4788	28.2124	CTL2	3969	3973	3974	3975	-0.18	
-3973	H71	SLES	1	20.9467	-35.1829	29.2857	HAL2	3972	0	0	0	0.09	
-3974	H72	SLES	1	21.8828	-35.3759	27.7459	HAL2	3972	0	0	0	0.09	
-3975	C8	SLES	1	19.8871	-34.6238	27.5056	CTL2	3972	3976	3977	3978	-0.18	
-3976	H81	SLES	1	18.8975	-34.7964	28.0145	HAL2	3975	0	0	0	0.09	
-3977	H82	SLES	1	19.8536	-34.9944	26.4417	HAL2	3975	0	0	0	0.09	
-3978	C9	SLES	1	20.0783	-33.1489	27.4364	CTL2	3975	3979	3980	3981	-0.18	
-3979	H91	SLES	1	20.0963	-32.7149	28.4612	HAL2	3978	0	0	0	0.09	
-3980	H92	SLES	1	21.0338	-32.909	26.9181	HAL2	3978	0	0	0	0.09	
-3981	C10	SLES	1	18.8409	-32.7511	26.6344	CTL2	3978	3982	3983	3984	-0.18	
-3982	H10	SLES	1	17.9131	-33.0854	27.1727	HAL2	3981	0	0	0	0.09	
-3983	H10	SLES	1	18.844	-33.2776	25.6413	HAL2	3981	0	0	0	0.09	
-3984	C11	SLES	1	18.7033	-31.2875	26.3668	CTL2	3981	3985	3986	3987	-0.18	
-3985	H11	SLES	1	18.6787	-30.7705	27.3542	HAL2	3984	0	0	0	0.09	
-3986	H11	SLES	1	19.6155	-30.9638	25.814	HAL2	3984	0	0	0	0.09	
-3987	C12	SLES	1	17.4261	-31.0384	25.5596	CTL3	3984	3988	3989	3990	-0.27	
-3988	H12	SLES	1	16.7353	-30.3901	26.1329	HAL3	3987	0	0	0	0.09	
-3989	H12	SLES	1	17.678	-30.5848	24.5813	HAL3	3987	0	0	0	0.09	
-3990	H12	SLES	1	16.8699	-31.9827	25.3397	HAL3	3987	0	0	0	0.09	
-3991	NA	SLES	1	41.4131	-38.517	34.7112	NA	0	0	0	0	1	
-3992	S	SLES	1	38.8381	-39.9357	33.9823	SL	3993	3994	3995	3996	1.33	
-3993	OS1	SLES	1	38.6146	-38.5295	33.6056	OSL	3992	3997	0	0	-0.28	
-3994	OS2	SLES	1	39.131	-39.5534	35.3457	O2L	3992	0	0	0	-0.65	
-3995	OS3	SLES	1	39.9863	-40.0181	33.1092	O2L	3992	0	0	0	-0.65	
-3996	OS4	SLES	1	37.6306	-40.6469	33.6695	O2L	3992	0	0	0	-0.65	
-3997	C2	SLES	1	37.5014	-37.9787	33.0237	CC32A	3993	3998	3999	4000	-0.11	
-3998	H2A	SLES	1	36.6008	-38.1176	33.6783	HCA2	3997	0	0	0	0.09	
-3999	H2B	SLES	1	37.3104	-38.4321	32.015	HCA2	3997	0	0	0	0.09	
-4000	C1	SLES	1	37.8974	-36.4905	32.9138	CC32A	3997	4001	4002	4003	-0.01	
-4001	H1B	SLES	1	38.117	-36.0585	33.9245	HCA2	4000	0	0	0	0.09	
-4002	H1A	SLES	1	38.8006	-36.3658	32.2674	HCA2	4000	0	0	0	0.09	
-4003	O1	SLES	1	36.9871	-35.5954	32.3622	OC30A	4000	4004	0	0	-0.34	
-4004	C2	SLES	1	35.7297	-36.0971	31.9473	CC32A	4003	4005	4006	4007	-0.01	
-4005	H2A	SLES	1	35.1852	-36.5629	32.8179	HCA2	4004	0	0	0	0.09	
-4006	H2B	SLES	1	35.8447	-36.8684	31.1502	HCA2	4004	0	0	0	0.09	
-4007	C1	SLES	1	35.3222	-34.6053	31.6655	CC32A	4004	4008	4009	4010	-0.01	
-4008	H1B	SLES	1	34.5107	-34.6813	32.4013	HCA2	4007	0	0	0	0.09	
-4009	H1A	SLES	1	35.2923	-35.0153	30.5916	HCA2	4007	0	0	0	0.09	
-4010	O1	SLES	1	34.8007	-33.4821	31.0034	OC30A	4007	4011	0	0	-0.34	
-4011	C1	SLES	1	33.4432	-33.5199	30.5866	CTL2	4010	4012	4013	4014	-0.18	
-4012	H11	SLES	1	32.7004	-33.8769	31.3535	HAL2	4011	0	0	0	0.09	
-4013	H12	SLES	1	33.3292	-34.1782	29.6888	HAL2	4011	0	0	0	0.09	
-4014	C2	SLES	1	33.2488	-32.0414	30.2535	CTL2	4011	4015	4016	4017	-0.18	
-4015	H21	SLES	1	33.3	-31.3733	31.1466	HAL2	4014	0	0	0	0.09	
-4016	H22	SLES	1	33.9638	-31.6687	29.48	HAL2	4014	0	0	0	0.09	
-4017	C3	SLES	1	31.8825	-32.0052	29.6982	CTL2	4014	4018	4019	4020	-0.18	
-4018	H31	SLES	1	31.2256	-32.3929	30.5237	HAL2	4017	0	0	0	0.09	
-4019	H32	SLES	1	31.9106	-32.7008	28.8144	HAL2	4017	0	0	0	0.09	
-4020	C4	SLES	1	31.273	-30.7274	29.2201	CTL2	4017	4021	4022	4023	-0.18	
-4021	H41	SLES	1	31.204	-29.9757	30.0447	HAL2	4020	0	0	0	0.09	
-4022	H42	SLES	1	31.8689	-30.277	28.392	HAL2	4020	0	0	0	0.09	
-4023	C5	SLES	1	29.9157	-31.2898	28.7767	CTL2	4020	4024	4025	4026	-0.18	
-4024	H51	SLES	1	29.3988	-31.7938	29.6363	HAL2	4023	0	0	0	0.09	
-4025	H52	SLES	1	30.0558	-32.0901	28.0031	HAL2	4023	0	0	0	0.09	
-4026	C6	SLES	1	28.9496	-30.3386	28.2154	CTL2	4023	4027	4028	4029	-0.18	
-4027	H61	SLES	1	28.018	-30.4338	28.8368	HAL2	4026	0	0	0	0.09	
-4028	H62	SLES	1	28.6768	-30.7307	27.199	HAL2	4026	0	0	0	0.09	
-4029	C7	SLES	1	29.3912	-28.8728	28.1265	CTL2	4026	4030	4031	4032	-0.18	
-4030	H71	SLES	1	29.5998	-28.4013	29.1159	HAL2	4029	0	0	0	0.09	
-4031	H72	SLES	1	30.2665	-28.7021	27.4577	HAL2	4029	0	0	0	0.09	
-4032	C8	SLES	1	28.1608	-28.2938	27.5279	CTL2	4029	4033	4034	4035	-0.18	
-4033	H81	SLES	1	27.322	-28.5232	28.2434	HAL2	4032	0	0	0	0.09	
-4034	H82	SLES	1	28.0031	-28.8314	26.5498	HAL2	4032	0	0	0	0.09	
-4035	C9	SLES	1	28.0798	-26.8372	27.2306	CTL2	4032	4036	4037	4038	-0.18	
-4036	H91	SLES	1	28.2045	-26.2463	28.1655	HAL2	4035	0	0	0	0.09	
-4037	H92	SLES	1	28.8722	-26.5486	26.504	HAL2	4035	0	0	0	0.09	
-4038	C10	SLES	1	26.6699	-26.7558	26.6489	CTL2	4035	4039	4040	4041	-0.18	
-4039	H10	SLES	1	25.9241	-27.1294	27.4015	HAL2	4038	0	0	0	0.09	
-4040	H10	SLES	1	26.5872	-27.4289	25.7526	HAL2	4038	0	0	0	0.09	
-4041	C11	SLES	1	26.2372	-25.3895	26.2265	CTL2	4038	4042	4043	4044	-0.18	
-4042	H11	SLES	1	26.2997	-24.7296	27.123	HAL2	4041	0	0	0	0.09	
-4043	H11	SLES	1	26.9671	-25.0307	25.4643	HAL2	4041	0	0	0	0.09	
-4044	C12	SLES	1	24.8134	-25.4598	25.6673	CTL3	4041	4045	4046	4047	-0.27	
-4045	H12	SLES	1	24.1343	-24.8342	26.2784	HAL3	4044	0	0	0	0.09	
-4046	H12	SLES	1	24.8056	-25.1377	24.6077	HAL3	4044	0	0	0	0.09	
-4047	H12	SLES	1	24.398	-26.4973	25.6883	HAL3	4044	0	0	0	0.09	
-4048	NA	SLES	1	50.1507	-26.5875	34.2128	NA	0	0	0	0	1	
-4049	S	SLES	1	47.7858	-28.4796	34.1705	SL	4050	4051	4052	4053	1.33	
-4050	OS1	SLES	1	47.2766	-27.225	33.5909	OSL	4049	4054	0	0	-0.28	
-4051	OS2	SLES	1	48.1832	-27.7929	35.3793	O2L	4049	0	0	0	-0.65	
-4052	OS3	SLES	1	48.8076	-28.5697	33.1531	O2L	4049	0	0	0	-0.65	
-4053	OS4	SLES	1	46.6885	-29.4056	34.187	O2L	4049	0	0	0	-0.65	
-4054	C2	SLES	1	46.0191	-26.9687	33.1068	CC32A	4050	4055	4056	4057	-0.11	
-4055	H2A	SLES	1	45.2487	-27.1014	33.9117	HCA2	4054	0	0	0	0.09	
-4056	H2B	SLES	1	45.7795	-27.6383	32.2387	HCA2	4054	0	0	0	0.09	
-4057	C1	SLES	1	46.1353	-25.4918	32.6723	CC32A	4054	4058	4059	4060	-0.01	
-4058	H1B	SLES	1	46.4067	-24.8384	33.5416	HCA2	4057	0	0	0	0.09	
-4059	H1A	SLES	1	46.9117	-25.3708	31.8774	HCA2	4057	0	0	0	0.09	
-4060	O1	SLES	1	45.0206	-24.8666	32.1239	OC30A	4057	4061	0	0	-0.34	
-4061	C2	SLES	1	43.8253	-25.6172	32.012	CC32A	4060	4062	4063	4064	-0.01	
-4062	H2A	SLES	1	43.4869	-25.9719	33.0275	HCA2	4061	0	0	0	0.09	
-4063	H2B	SLES	1	43.9667	-26.5082	31.3566	HCA2	4061	0	0	0	0.09	
-4064	C1	SLES	1	43.1339	-24.2871	31.539	CC32A	4061	4065	4066	4067	-0.01	
-4065	H1B	SLES	1	42.4503	-24.3297	32.3971	HCA2	4064	0	0	0	0.09	
-4066	H1A	SLES	1	43.0357	-24.9046	30.5738	HCA2	4064	0	0	0	0.09	
-4067	O1	SLES	1	42.3453	-23.407	30.7804	OC30A	4064	4068	0	0	-0.34	
-4068	C1	SLES	1	40.9721	-23.723	30.6004	CTL2	4067	4069	4070	4071	-0.18	
-4069	H11	SLES	1	40.408	-24.0217	31.5276	HAL2	4068	0	0	0	0.09	
-4070	H12	SLES	1	40.8574	-24.5578	29.8638	HAL2	4068	0	0	0	0.09	
-4071	C2	SLES	1	40.4844	-22.3854	30.0455	CTL2	4068	4072	4073	4074	-0.18	
-4072	H21	SLES	1	40.5355	-21.5511	30.7858	HAL2	4071	0	0	0	0.09	
-4073	H22	SLES	1	41.0179	-22.0768	29.1136	HAL2	4071	0	0	0	0.09	
-4074	C3	SLES	1	39.0719	-22.6589	29.7193	CTL2	4071	4075	4076	4077	-0.18	
-4075	H31	SLES	1	38.6045	-22.9631	30.6952	HAL2	4074	0	0	0	0.09	
-4076	H32	SLES	1	39.1042	-23.5065	28.9803	HAL2	4074	0	0	0	0.09	
-4077	C4	SLES	1	38.1946	-21.6046	29.1261	CTL2	4074	4078	4079	4080	-0.18	
-4078	H41	SLES	1	38.1051	-20.7204	29.8043	HAL2	4077	0	0	0	0.09	
-4079	H42	SLES	1	38.5913	-21.2489	28.1464	HAL2	4077	0	0	0	0.09	
-4080	C5	SLES	1	36.9085	-22.4343	29.0134	CTL2	4077	4081	4082	4083	-0.18	
-4081	H51	SLES	1	36.6022	-22.8242	30.0205	HAL2	4080	0	0	0	0.09	
-4082	H52	SLES	1	37.0824	-23.345	28.382	HAL2	4080	0	0	0	0.09	
-4083	C6	SLES	1	35.7284	-21.7647	28.4547	CTL2	4080	4084	4085	4086	-0.18	
-4084	H61	SLES	1	34.9159	-21.8661	29.2244	HAL2	4083	0	0	0	0.09	
-4085	H62	SLES	1	35.3974	-22.3882	27.5812	HAL2	4083	0	0	0	0.09	
-4086	C7	SLES	1	35.8957	-20.2986	28.0371	CTL2	4083	4087	4088	4089	-0.18	
-4087	H71	SLES	1	36.1469	-19.6128	28.8804	HAL2	4086	0	0	0	0.09	
-4088	H72	SLES	1	36.6341	-20.1416	27.2168	HAL2	4086	0	0	0	0.09	
-4089	C8	SLES	1	34.5168	-20.0352	27.5506	CTL2	4086	4090	4091	4092	-0.18	
-4090	H81	SLES	1	33.8302	-20.2345	28.4207	HAL2	4089	0	0	0	0.09	
-4091	H82	SLES	1	34.3283	-20.7754	26.7218	HAL2	4089	0	0	0	0.09	
-4092	C9	SLES	1	34.1483	-18.6953	27.0162	CTL2	4089	4093	4094	4095	-0.18	
-4093	H91	SLES	1	34.2899	-17.9169	27.799	HAL2	4092	0	0	0	0.09	
-4094	H92	SLES	1	34.778	-18.4476	26.1323	HAL2	4092	0	0	0	0.09	
-4095	C10	SLES	1	32.682	-18.9364	26.6634	CTL2	4092	4096	4097	4098	-0.18	
-4096	H10	SLES	1	32.1159	-19.2546	27.5802	HAL2	4095	0	0	0	0.09	
-4097	H10	SLES	1	32.6006	-19.7808	25.926	HAL2	4095	0	0	0	0.09	
-4098	C11	SLES	1	31.9694	-17.7598	26.0801	CTL2	4095	4099	4100	4101	-0.18	
-4099	H11	SLES	1	32.0333	-16.9312	26.8233	HAL2	4098	0	0	0	0.09	
-4100	H11	SLES	1	32.5213	-17.4604	25.1591	HAL2	4098	0	0	0	0.09	
-4101	C12	SLES	1	30.5185	-18.1455	25.7782	CTL3	4098	4102	4103	4104	-0.27	
-4102	H12	SLES	1	29.8271	-17.5143	26.3696	HAL3	4101	0	0	0	0.09	
-4103	H12	SLES	1	30.3177	-18.0475	24.6935	HAL3	4101	0	0	0	0.09	
-4104	H12	SLES	1	30.2942	-19.2064	26.0496	HAL3	4101	0	0	0	0.09	
-4105	NA	SLES	1	55.4804	-12.8863	33.7309	NA	0	0	0	0	1	
-4106	S	SLES	1	53.4712	-15.0664	34.3511	SL	4107	4108	4109	4110	1.33	
-4107	OS1	SLES	1	52.7168	-14.0663	33.5766	OSL	4106	4111	0	0	-0.28	
-4108	OS2	SLES	1	53.8352	-14.0714	35.3351	O2L	4106	0	0	0	-0.65	
-4109	OS3	SLES	1	54.416	-15.2339	33.271	O2L	4106	0	0	0	-0.65	
-4110	OS4	SLES	1	52.5497	-16.116	34.6842	O2L	4106	0	0	0	-0.65	
-4111	C2	SLES	1	51.402	-14.1158	33.1892	CC32A	4107	4112	4113	4114	-0.11	
-4112	H2A	SLES	1	50.7262	-14.174	34.083	HCA2	4111	0	0	0	0.09	
-4113	H2B	SLES	1	51.2154	-14.9935	32.5151	HCA2	4111	0	0	0	0.09	
-4114	C1	SLES	1	51.2356	-12.7763	32.4398	CC32A	4111	4115	4116	4117	-0.01	
-4115	H1B	SLES	1	51.4563	-11.9093	33.115	HCA2	4114	0	0	0	0.09	
-4116	H1A	SLES	1	51.92	-12.7262	31.5576	HCA2	4114	0	0	0	0.09	
-4117	O1	SLES	1	49.9943	-12.4642	31.8958	OC30A	4114	4118	0	0	-0.34	
-4118	C2	SLES	1	48.9374	-13.3888	32.0776	CC32A	4117	4119	4120	4121	-0.01	
-4119	H2A	SLES	1	48.7393	-13.5489	33.176	HCA2	4118	0	0	0	0.09	
-4120	H2B	SLES	1	49.1784	-14.3748	31.6157	HCA2	4118	0	0	0	0.09	
-4121	C1	SLES	1	47.9991	-12.3187	31.4103	CC32A	4118	4122	4123	4124	-0.01	
-4122	H1B	SLES	1	47.3974	-12.2652	32.3272	HCA2	4121	0	0	0	0.09	
-4123	H1A	SLES	1	47.9356	-13.1474	30.6156	HCA2	4121	0	0	0	0.09	
-4124	O1	SLES	1	47.0199	-11.7611	30.5723	OC30A	4121	4125	0	0	-0.34	
-4125	C1	SLES	1	45.7101	-12.3092	30.6147	CTL2	4124	4126	4127	4128	-0.18	
-4126	H11	SLES	1	45.2741	-12.4688	31.6402	HAL2	4125	0	0	0	0.09	
-4127	H12	SLES	1	45.6837	-13.2974	30.09	HAL2	4125	0	0	0	0.09	
-4128	C2	SLES	1	44.9647	-11.2204	29.8442	CTL2	4125	4129	4130	4131	-0.18	
-4129	H21	SLES	1	44.9289	-10.2413	30.3795	HAL2	4128	0	0	0	0.09	
-4130	H22	SLES	1	45.3686	-11.0569	28.8153	HAL2	4128	0	0	0	0.09	
-4131	C3	SLES	1	43.5983	-11.7667	29.7399	CTL2	4128	4132	4133	4134	-0.18	
-4132	H31	SLES	1	43.2618	-11.9062	30.8032	HAL2	4131	0	0	0	0.09	
-4133	H32	SLES	1	43.7184	-12.7461	29.1994	HAL2	4131	0	0	0	0.09	
-4134	C4	SLES	1	42.5148	-11.0169	29.035	CTL2	4131	4135	4136	4137	-0.18	
-4135	H41	SLES	1	42.3278	-10.0246	29.5148	HAL2	4134	0	0	0	0.09	
-4136	H42	SLES	1	42.7729	-10.8392	27.9646	HAL2	4134	0	0	0	0.09	
-4137	C5	SLES	1	41.382	-12.0312	29.2427	CTL2	4134	4138	4139	4140	-0.18	
-4138	H51	SLES	1	41.2206	-12.2222	30.337	HAL2	4137	0	0	0	0.09	
-4139	H52	SLES	1	41.6599	-13.0258	28.8047	HAL2	4137	0	0	0	0.09	
-4140	C6	SLES	1	40.0682	-11.6885	28.6863	CTL2	4137	4141	4142	4143	-0.18	
-4141	H61	SLES	1	39.3432	-11.7308	29.5439	HAL2	4140	0	0	0	0.09	
-4142	H62	SLES	1	39.7836	-12.5365	28.0072	HAL2	4140	0	0	0	0.09	
-4143	C7	SLES	1	39.9551	-10.348	27.9502	CTL2	4140	4144	4145	4146	-0.18	
-4144	H71	SLES	1	40.1485	-9.45865	28.5954	HAL2	4143	0	0	0	0.09	
-4145	H72	SLES	1	40.5942	-10.2746	27.0397	HAL2	4143	0	0	0	0.09	
-4146	C8	SLES	1	38.5195	-10.4091	27.5722	CTL2	4143	4147	4148	4149	-0.18	
-4147	H81	SLES	1	37.9422	-10.5041	28.5344	HAL2	4146	0	0	0	0.09	
-4148	H82	SLES	1	38.3979	-11.3382	26.9458	HAL2	4146	0	0	0	0.09	
-4149	C9	SLES	1	37.8924	-9.29576	26.808	CTL2	4146	4150	4151	4152	-0.18	
-4150	H91	SLES	1	37.9581	-8.34732	27.3867	HAL2	4149	0	0	0	0.09	
-4151	H92	SLES	1	38.4047	-9.16569	25.8283	HAL2	4149	0	0	0	0.09	
-4152	C10	SLES	1	36.4658	-9.82495	26.6769	CTL2	4149	4153	4154	4155	-0.18	
-4153	H10	SLES	1	36.0303	-10.0059	27.6966	HAL2	4152	0	0	0	0.09	
-4154	H10	SLES	1	36.4737	-10.8177	26.1497	HAL2	4152	0	0	0	0.09	
-4155	C11	SLES	1	35.5242	-8.93086	25.9375	CTL2	4152	4156	4157	4158	-0.18	
-4156	H11	SLES	1	35.5022	-7.95459	26.4756	HAL2	4155	0	0	0	0.09	
-4157	H11	SLES	1	35.9486	-8.77089	24.9193	HAL2	4155	0	0	0	0.09	
-4158	C12	SLES	1	34.1408	-9.58525	25.885	CTL3	4155	4159	4160	4161	-0.27	
-4159	H12	SLES	1	33.3984	-8.94521	26.4	HAL3	4158	0	0	0	0.09	
-4160	H12	SLES	1	33.8472	-9.76779	24.8328	HAL3	4158	0	0	0	0.09	
-4161	H12	SLES	1	34.1189	-10.5776	26.399	HAL3	4158	0	0	0	0.09	
-4162	NA	SLES	1	60.9298	1.64418	17.7589	NA	0	0	0	0	1	
-4163	S	SLES	1	59.677	-0.607557	19.3508	SL	4164	4165	4166	4167	1.33	
-4164	OS1	SLES	1	58.5471	0.0495181	18.6719	OSL	4163	4168	0	0	-0.28	
-4165	OS2	SLES	1	60.0619	0.637759	19.9766	O2L	4163	0	0	0	-0.65	
-4166	OS3	SLES	1	60.3175	-0.880562	18.0849	O2L	4163	0	0	0	-0.65	
-4167	OS4	SLES	1	59.1259	-1.67631	20.1356	O2L	4163	0	0	0	-0.65	
-4168	C2	SLES	1	57.2199	-0.293442	18.7185	CC32A	4164	4169	4170	4171	-0.11	
-4169	H2A	SLES	1	56.8322	-0.239842	19.7701	HCA2	4168	0	0	0	0.09	
-4170	H2B	SLES	1	57.0576	-1.32482	18.3069	HCA2	4168	0	0	0	0.09	
-4171	C1	SLES	1	56.5759	0.785828	17.8219	CC32A	4168	4172	4173	4174	-0.01	
-4172	H1B	SLES	1	56.7728	1.81251	18.2263	HCA2	4171	0	0	0	0.09	
-4173	H1A	SLES	1	56.9765	0.728524	16.7801	HCA2	4171	0	0	0	0.09	
-4174	O1	SLES	1	55.1982	0.763312	17.6332	OC30A	4171	4175	0	0	-0.34	
-4175	C2	SLES	1	54.453	-0.242648	18.2946	CC32A	4174	4176	4177	4178	-0.01	
-4176	H2A	SLES	1	54.5902	-0.164001	19.4111	HCA2	4175	0	0	0	0.09	
-4177	H2B	SLES	1	54.7719	-1.26114	17.9713	HCA2	4175	0	0	0	0.09	
-4178	C1	SLES	1	53.1633	0.478817	17.759	CC32A	4175	4179	4180	4181	-0.01	
-4179	H1B	SLES	1	52.8271	0.65649	18.789	HCA2	4178	0	0	0	0.09	
-4180	H1A	SLES	1	53.0744	-0.515444	17.188	HCA2	4178	0	0	0	0.09	
-4181	O1	SLES	1	51.9014	0.661847	17.1705	OC30A	4178	4182	0	0	-0.34	
-4182	C1	SLES	1	50.8001	-0.0556061	17.7093	CTL2	4181	4183	4184	4185	-0.18	
-4183	H11	SLES	1	50.6944	-0.0306716	18.8297	HAL2	4182	0	0	0	0.09	
-4184	H12	SLES	1	50.8517	-1.13244	17.4088	HAL2	4182	0	0	0	0.09	
-4185	C2	SLES	1	49.6606	0.688909	17.015	CTL2	4182	4186	4187	4188	-0.18	
-4186	H21	SLES	1	49.5553	1.75006	17.3459	HAL2	4185	0	0	0	0.09	
-4187	H22	SLES	1	49.7343	0.661981	15.9004	HAL2	4185	0	0	0	0.09	
-4188	C3	SLES	1	48.4671	-0.0705721	17.4334	CTL2	4185	4189	4190	4191	-0.18	
-4189	H31	SLES	1	48.4606	-0.00200562	18.5553	HAL2	4188	0	0	0	0.09	
-4190	H32	SLES	1	48.6503	-1.1202	17.0721	HAL2	4188	0	0	0	0.09	
-4191	C4	SLES	1	47.1005	0.312422	16.9657	CTL2	4188	4192	4193	4194	-0.18	
-4192	H41	SLES	1	46.8356	1.34952	17.2882	HAL2	4191	0	0	0	0.09	
-4193	H42	SLES	1	47.0231	0.266707	15.854	HAL2	4191	0	0	0	0.09	
-4194	C5	SLES	1	46.3102	-0.785032	17.691	CTL2	4191	4195	4196	4197	-0.18	
-4195	H51	SLES	1	46.4876	-0.731426	18.7981	HAL2	4194	0	0	0	0.09	
-4196	H52	SLES	1	46.672	-1.8004	17.3804	HAL2	4194	0	0	0	0.09	
-4197	C6	SLES	1	44.8543	-0.792326	17.5071	CTL2	4194	4198	4199	4200	-0.18	
-4198	H61	SLES	1	44.4075	-0.739757	18.5369	HAL2	4197	0	0	0	0.09	
-4199	H62	SLES	1	44.5923	-1.81162	17.1151	HAL2	4197	0	0	0	0.09	
-4200	C7	SLES	1	44.2638	0.29928	16.6065	CTL2	4197	4201	4202	4203	-0.18	
-4201	H71	SLES	1	44.4223	1.33595	16.987	HAL2	4200	0	0	0	0.09	
-4202	H72	SLES	1	44.6093	0.250531	15.5477	HAL2	4200	0	0	0	0.09	
-4203	C8	SLES	1	42.828	-0.0712677	16.7007	CTL2	4200	4204	4205	4206	-0.18	
-4204	H81	SLES	1	42.5588	-0.0213796	17.7931	HAL2	4203	0	0	0	0.09	
-4205	H82	SLES	1	42.7505	-1.13052	16.3233	HAL2	4203	0	0	0	0.09	
-4206	C9	SLES	1	41.796	0.716524	15.9719	CTL2	4203	4207	4208	4209	-0.18	
-4207	H91	SLES	1	41.8042	1.77424	16.3181	HAL2	4206	0	0	0	0.09	
-4208	H92	SLES	1	41.9918	0.685989	14.8765	HAL2	4206	0	0	0	0.09	
-4209	C10	SLES	1	40.5351	-0.0423176	16.3804	CTL2	4206	4210	4211	4212	-0.18	
-4210	H10	SLES	1	40.4331	-0.0391775	17.4993	HAL2	4209	0	0	0	0.09	
-4211	H10	SLES	1	40.6193	-1.11881	16.0681	HAL2	4209	0	0	0	0.09	
-4212	C11	SLES	1	39.2616	0.492708	15.8108	CTL2	4209	4213	4214	4215	-0.18	
-4213	H11	SLES	1	39.1706	1.55386	16.1406	HAL2	4212	0	0	0	0.09	
-4214	H11	SLES	1	39.3582	0.468091	14.7006	HAL2	4212	0	0	0	0.09	
-4215	C12	SLES	1	38.0892	-0.360704	16.3027	CTL3	4212	4216	4217	4218	-0.27	
-4216	H12	SLES	1	37.3878	0.261463	16.8918	HAL3	4215	0	0	0	0.09	
-4217	H12	SLES	1	37.5761	-0.832578	15.4421	HAL3	4215	0	0	0	0.09	
-4218	H12	SLES	1	38.419	-1.19245	16.9726	HAL3	4215	0	0	0	0.09	
-4219	NA	SLES	1	58.7437	16.4056	17.3925	NA	0	0	0	0	1	
-4220	S	SLES	1	57.901	14.3847	19.4854	SL	4221	4222	4223	4224	1.33	
-4221	OS1	SLES	1	56.6994	14.5983	18.6608	OSL	4220	4225	0	0	-0.28	
-4222	OS2	SLES	1	57.9801	15.7967	19.7864	O2L	4220	0	0	0	-0.65	
-4223	OS3	SLES	1	58.656	13.9618	18.3285	O2L	4220	0	0	0	-0.65	
-4224	OS4	SLES	1	57.5418	13.442	20.5072	O2L	4220	0	0	0	-0.65	
-4225	C2	SLES	1	55.4731	13.9968	18.7852	CC32A	4221	4226	4227	4228	-0.11	
-4226	H2A	SLES	1	55.0231	14.2155	19.7894	HCA2	4225	0	0	0	0.09	
-4227	H2B	SLES	1	55.5543	12.8869	18.6398	HCA2	4225	0	0	0	0.09	
-4228	C1	SLES	1	54.6698	14.6632	17.6475	CC32A	4225	4229	4230	4231	-0.01	
-4229	H1B	SLES	1	54.6238	15.7744	17.787	HCA2	4228	0	0	0	0.09	
-4230	H1A	SLES	1	55.1326	14.4461	16.6536	HCA2	4228	0	0	0	0.09	
-4231	O1	SLES	1	53.3405	14.2975	17.4645	OC30A	4228	4232	0	0	-0.34	
-4232	C2	SLES	1	52.7859	13.3425	18.3506	CC32A	4231	4233	4234	4235	-0.01	
-4233	H2A	SLES	1	52.8393	13.7144	19.4137	HCA2	4232	0	0	0	0.09	
-4234	H2B	SLES	1	53.329	12.3705	18.2897	HCA2	4232	0	0	0	0.09	
-4235	C1	SLES	1	51.4065	13.6166	17.6483	CC32A	4232	4236	4237	4238	-0.01	
-4236	H1B	SLES	1	50.982	13.9588	18.6014	HCA2	4235	0	0	0	0.09	
-4237	H1A	SLES	1	51.5608	12.5196	17.3398	HCA2	4235	0	0	0	0.09	
-4238	O1	SLES	1	50.1703	13.3747	17.0278	OC30A	4235	4239	0	0	-0.34	
-4239	C1	SLES	1	49.2146	12.586	17.7223	CTL2	4238	4240	4241	4242	-0.18	
-4240	H11	SLES	1	49.0419	12.8553	18.8016	HAL2	4239	0	0	0	0.09	
-4241	H12	SLES	1	49.5077	11.5062	17.6969	HAL2	4239	0	0	0	0.09	
-4242	C2	SLES	1	47.9861	12.8765	16.8613	CTL2	4239	4243	4244	4245	-0.18	
-4243	H21	SLES	1	47.6421	13.9371	16.9199	HAL2	4242	0	0	0	0.09	
-4244	H22	SLES	1	48.1277	12.5998	15.7881	HAL2	4242	0	0	0	0.09	
-4245	C3	SLES	1	46.9562	11.9991	17.4492	CTL2	4242	4246	4247	4248	-0.18	
-4246	H31	SLES	1	46.8711	12.3316	18.5195	HAL2	4245	0	0	0	0.09	
-4247	H32	SLES	1	47.3756	10.9591	17.3586	HAL2	4245	0	0	0	0.09	
-4248	C4	SLES	1	45.5688	11.9526	16.8959	CTL2	4245	4249	4250	4251	-0.18	
-4249	H41	SLES	1	45.0745	12.9538	16.9517	HAL2	4248	0	0	0	0.09	
-4250	H42	SLES	1	45.5666	11.626	15.8296	HAL2	4248	0	0	0	0.09	
-4251	C5	SLES	1	44.9856	10.9166	17.8662	CTL2	4248	4252	4253	4254	-0.18	
-4252	H51	SLES	1	45.084	11.2713	18.9266	HAL2	4251	0	0	0	0.09	
-4253	H52	SLES	1	45.5693	9.95986	17.817	HAL2	4251	0	0	0	0.09	
-4254	C6	SLES	1	43.5766	10.5495	17.6839	CTL2	4251	4255	4256	4257	-0.18	
-4255	H61	SLES	1	43.0703	10.7491	18.6671	HAL2	4254	0	0	0	0.09	
-4256	H62	SLES	1	43.5567	9.43406	17.5542	HAL2	4254	0	0	0	0.09	
-4257	C7	SLES	1	42.8231	11.2381	16.5395	CTL2	4254	4258	4259	4260	-0.18	
-4258	H71	SLES	1	42.7389	12.3447	16.6533	HAL2	4257	0	0	0	0.09	
-4259	H72	SLES	1	43.2313	11.0131	15.5269	HAL2	4257	0	0	0	0.09	
-4260	C8	SLES	1	41.4938	10.5984	16.7164	CTL2	4257	4261	4262	4263	-0.18	
-4261	H81	SLES	1	41.1579	10.8491	17.7616	HAL2	4260	0	0	0	0.09	
-4262	H82	SLES	1	41.6617	9.48878	16.6115	HAL2	4260	0	0	0	0.09	
-4263	C9	SLES	1	40.3633	10.945	15.8116	CTL2	4260	4264	4265	4266	-0.18	
-4264	H91	SLES	1	40.1299	12.0306	15.8864	HAL2	4263	0	0	0	0.09	
-4265	H92	SLES	1	40.6236	10.6959	14.7584	HAL2	4263	0	0	0	0.09	
-4266	C10	SLES	1	39.268	10.0512	16.3895	CTL2	4263	4267	4268	4269	-0.18	
-4267	H10	SLES	1	39.1035	10.3003	17.4726	HAL2	4266	0	0	0	0.09	
-4268	H10	SLES	1	39.5935	8.97593	16.3526	HAL2	4266	0	0	0	0.09	
-4269	C11	SLES	1	37.9455	10.1443	15.7004	CTL2	4266	4270	4271	4272	-0.18	
-4270	H11	SLES	1	37.6155	11.2077	15.7579	HAL2	4269	0	0	0	0.09	
-4271	H11	SLES	1	38.1086	9.87572	14.6309	HAL2	4269	0	0	0	0.09	
-4272	C12	SLES	1	36.9515	9.20019	16.3827	CTL3	4269	4273	4274	4275	-0.27	
-4273	H12	SLES	1	36.1028	9.77792	16.7974	HAL3	4272	0	0	0	0.09	
-4274	H12	SLES	1	36.599	8.43591	15.663	HAL3	4272	0	0	0	0.09	
-4275	H12	SLES	1	37.4092	8.64545	17.2384	HAL3	4272	0	0	0	0.09	
-4276	NA	SLES	1	53.0625	30.1273	17.1271	NA	0	0	0	0	1	
-4277	S	SLES	1	52.4115	28.4753	19.5809	SL	4278	4279	4280	4281	1.33	
-4278	OS1	SLES	1	51.2948	28.2295	18.6526	OSL	4277	4282	0	0	-0.28	
-4279	OS2	SLES	1	52.1675	29.8999	19.542	O2L	4277	0	0	0	-0.65	
-4280	OS3	SLES	1	53.3648	27.9904	18.6096	O2L	4277	0	0	0	-0.65	
-4281	OS4	SLES	1	52.1357	27.7222	20.772	O2L	4277	0	0	0	-0.65	
-4282	C2	SLES	1	50.2099	27.4107	18.8362	CC32A	4278	4283	4284	4285	-0.11	
-4283	H2A	SLES	1	49.6122	27.7367	19.728	HCA2	4282	0	0	0	0.09	
-4284	H2B	SLES	1	50.5306	26.3429	18.9646	HCA2	4282	0	0	0	0.09	
-4285	C1	SLES	1	49.4247	27.6159	17.5227	CC32A	4282	4286	4287	4288	-0.01	
-4286	H1B	SLES	1	49.1387	28.6915	17.3907	HCA2	4285	0	0	0	0.09	
-4287	H1A	SLES	1	50.0333	27.2965	16.6414	HCA2	4285	0	0	0	0.09	
-4288	O1	SLES	1	48.2273	26.931	17.3456	OC30A	4285	4289	0	0	-0.34	
-4289	C2	SLES	1	47.7794	26.0929	18.3952	CC32A	4288	4290	4291	4292	-0.01	
-4290	H2A	SLES	1	47.6335	26.6899	19.3406	HCA2	4289	0	0	0	0.09	
-4291	H2B	SLES	1	48.5117	25.2778	18.6028	HCA2	4289	0	0	0	0.09	
-4292	C1	SLES	1	46.4635	25.8914	17.5595	CC32A	4289	4293	4294	4295	-0.01	
-4293	H1B	SLES	1	45.8715	26.3292	18.374	HCA2	4292	0	0	0	0.09	
-4294	H1A	SLES	1	46.8713	24.8166	17.5314	HCA2	4292	0	0	0	0.09	
-4295	O1	SLES	1	45.3818	25.2496	16.9349	OC30A	4292	4296	0	0	-0.34	
-4296	C1	SLES	1	44.5323	24.4378	17.7332	CTL2	4295	4297	4298	4299	-0.18	
-4297	H11	SLES	1	44.1854	24.8904	18.7039	HAL2	4296	0	0	0	0.09	
-4298	H12	SLES	1	45.0392	23.4722	17.9845	HAL2	4296	0	0	0	0.09	
-4299	C2	SLES	1	43.378	24.2511	16.7495	CTL2	4296	4300	4301	4302	-0.18	
-4300	H21	SLES	1	42.8218	25.1944	16.5317	HAL2	4299	0	0	0	0.09	
-4301	H22	SLES	1	43.6954	23.7859	15.7845	HAL2	4299	0	0	0	0.09	
-4302	C3	SLES	1	42.4866	23.3153	17.4607	CTL2	4299	4303	4304	4305	-0.18	
-4303	H31	SLES	1	42.2131	23.8455	18.4133	HAL2	4302	0	0	0	0.09	
-4304	H32	SLES	1	43.1157	22.4015	17.6477	HAL2	4302	0	0	0	0.09	
-4305	C4	SLES	1	41.2106	22.84	16.8451	CTL2	4302	4306	4307	4308	-0.18	
-4306	H41	SLES	1	40.5206	23.6925	16.6288	HAL2	4305	0	0	0	0.09	
-4307	H42	SLES	1	41.3976	22.2967	15.8892	HAL2	4305	0	0	0	0.09	
-4308	C5	SLES	1	40.7417	21.9367	17.9937	CTL2	4305	4309	4310	4311	-0.18	
-4309	H51	SLES	1	40.6433	22.527	18.9435	HAL2	4308	0	0	0	0.09	
-4310	H52	SLES	1	41.5089	21.1479	18.2116	HAL2	4308	0	0	0	0.09	
-4311	C6	SLES	1	39.4669	21.2329	17.8124	CTL2	4308	4312	4313	4314	-0.18	
-4312	H61	SLES	1	38.8208	21.5236	18.6847	HAL2	4311	0	0	0	0.09	
-4313	H62	SLES	1	39.6887	20.1406	17.9507	HAL2	4311	0	0	0	0.09	
-4314	C7	SLES	1	38.7265	21.4689	16.4904	CTL2	4311	4315	4316	4317	-0.18	
-4315	H71	SLES	1	38.4072	22.5261	16.332	HAL2	4314	0	0	0	0.09	
-4316	H72	SLES	1	39.2858	21.1258	15.5892	HAL2	4314	0	0	0	0.09	
-4317	C8	SLES	1	37.5432	20.6022	16.7272	CTL2	4314	4318	4319	4320	-0.18	
-4318	H81	SLES	1	37.0453	20.9931	17.6586	HAL2	4317	0	0	0	0.09	
-4319	H82	SLES	1	37.9434	19.5629	16.9004	HAL2	4317	0	0	0	0.09	
-4320	C9	SLES	1	36.4778	20.4811	15.6942	CTL2	4317	4321	4322	4323	-0.18	
-4321	H91	SLES	1	36.0221	21.4764	15.4932	HAL2	4320	0	0	0	0.09	
-4322	H92	SLES	1	36.9028	20.0731	14.7497	HAL2	4320	0	0	0	0.09	
-4323	C10	SLES	1	35.5272	19.5129	16.3953	CTL2	4320	4324	4325	4326	-0.18	
-4324	H10	SLES	1	35.192	19.9489	17.375	HAL2	4323	0	0	0	0.09	
-4325	H10	SLES	1	36.066	18.5563	16.6365	HAL2	4323	0	0	0	0.09	
-4326	C11	SLES	1	34.3017	19.1551	15.619	CTL2	4323	4327	4328	4329	-0.18	
-4327	H11	SLES	1	33.7586	20.1039	15.4004	HAL2	4326	0	0	0	0.09	
-4328	H11	SLES	1	34.638	18.7033	14.6571	HAL2	4326	0	0	0	0.09	
-4329	C12	SLES	1	33.4479	18.1845	16.4399	CTL3	4326	4330	4331	4332	-0.27	
-4330	H12	SLES	1	32.4577	18.6337	16.6491	HAL3	4329	0	0	0	0.09	
-4331	H12	SLES	1	33.3429	17.2227	15.9012	HAL3	4329	0	0	0	0.09	
-4332	H12	SLES	1	33.9069	17.9466	17.431	HAL3	4329	0	0	0	0.09	
-4333	NA	SLES	1	44.2569	42.0285	16.9794	NA	0	0	0	0	1	
-4334	S	SLES	1	43.5493	40.748	19.6315	SL	4335	4336	4337	4338	1.33	
-4335	OS1	SLES	1	42.6733	40.0889	18.6479	OSL	4334	4339	0	0	-0.28	
-4336	OS2	SLES	1	43.0371	42.0479	19.2589	O2L	4334	0	0	0	-0.65	
-4337	OS3	SLES	1	44.7274	40.3243	18.9106	O2L	4334	0	0	0	-0.65	
-4338	OS4	SLES	1	43.2348	40.1823	20.9133	O2L	4334	0	0	0	-0.65	
-4339	C2	SLES	1	41.7575	39.092	18.8683	CC32A	4335	4340	4341	4342	-0.11	
-4340	H2A	SLES	1	40.9675	39.4304	19.5897	HCA2	4339	0	0	0	0.09	
-4341	H2B	SLES	1	42.258	38.1673	19.2606	HCA2	4339	0	0	0	0.09	
-4342	C1	SLES	1	41.1761	38.8695	17.4555	CC32A	4339	4343	4344	4345	-0.01	
-4343	H1B	SLES	1	40.7081	39.809	17.0622	HCA2	4342	0	0	0	0.09	
-4344	H1A	SLES	1	41.9735	38.542	16.7441	HCA2	4342	0	0	0	0.09	
-4345	O1	SLES	1	40.1848	37.9093	17.284	OC30A	4342	4346	0	0	-0.34	
-4346	C2	SLES	1	39.7446	37.1971	18.4258	CC32A	4345	4347	4348	4349	-0.01	
-4347	H2A	SLES	1	39.3283	37.9074	19.1963	HCA2	4346	0	0	0	0.09	
-4348	H2B	SLES	1	40.5794	36.6224	18.8911	HCA2	4346	0	0	0	0.09	
-4349	C1	SLES	1	38.652	36.5519	17.498	CC32A	4346	4350	4351	4352	-0.01	
-4350	H1B	SLES	1	37.8582	36.9844	18.1212	HCA2	4349	0	0	0	0.09	
-4351	H1A	SLES	1	39.2641	35.6118	17.7508	HCA2	4349	0	0	0	0.09	
-4352	O1	SLES	1	37.8382	35.5775	16.8978	OC30A	4349	4353	0	0	-0.34	
-4353	C1	SLES	1	37.0465	34.7532	17.7413	CTL2	4352	4354	4355	4356	-0.18	
-4354	H11	SLES	1	36.4606	35.2841	18.5427	HAL2	4353	0	0	0	0.09	
-4355	H12	SLES	1	37.6862	33.991	18.2536	HAL2	4353	0	0	0	0.09	
-4356	C2	SLES	1	36.1317	34.1319	16.6867	CTL2	4353	4357	4358	4359	-0.18	
-4357	H21	SLES	1	35.4432	34.8675	16.2056	HAL2	4356	0	0	0	0.09	
-4358	H22	SLES	1	36.6907	33.5832	15.89	HAL2	4356	0	0	0	0.09	
-4359	C3	SLES	1	35.3385	33.1635	17.4673	CTL2	4356	4360	4361	4362	-0.18	
-4360	H31	SLES	1	34.8111	33.7821	18.2435	HAL2	4359	0	0	0	0.09	
-4361	H32	SLES	1	36.0967	32.467	17.9211	HAL2	4359	0	0	0	0.09	
-4362	C4	SLES	1	34.3025	32.3056	16.8163	CTL2	4359	4363	4364	4365	-0.18	
-4363	H41	SLES	1	33.5025	32.9242	16.3397	HAL2	4362	0	0	0	0.09	
-4364	H42	SLES	1	34.7495	31.6542	16.0291	HAL2	4362	0	0	0	0.09	
-4365	C5	SLES	1	33.8384	31.5445	18.0655	CTL2	4362	4366	4367	4368	-0.18	
-4366	H51	SLES	1	33.4687	32.26	18.8475	HAL2	4365	0	0	0	0.09	
-4367	H52	SLES	1	34.7	31.0047	18.5395	HAL2	4365	0	0	0	0.09	
-4368	C6	SLES	1	32.7769	30.5477	17.8845	CTL2	4365	4369	4370	4371	-0.18	
-4369	H61	SLES	1	31.9504	30.8376	18.5886	HAL2	4368	0	0	0	0.09	
-4370	H62	SLES	1	33.1851	29.5788	18.2795	HAL2	4368	0	0	0	0.09	
-4371	C7	SLES	1	32.234	30.3633	16.4622	CTL2	4368	4372	4373	4374	-0.18	
-4372	H71	SLES	1	31.742	31.2727	16.0433	HAL2	4371	0	0	0	0.09	
-4373	H72	SLES	1	32.9919	29.9981	15.7307	HAL2	4371	0	0	0	0.09	
-4374	C8	SLES	1	31.2238	29.3079	16.7325	CTL2	4371	4375	4376	4377	-0.18	
-4375	H81	SLES	1	30.5108	29.7382	17.4905	HAL2	4374	0	0	0	0.09	
-4376	H82	SLES	1	31.7881	28.4367	17.1718	HAL2	4374	0	0	0	0.09	
-4377	C9	SLES	1	30.3901	28.7607	15.627	CTL2	4374	4378	4379	4380	-0.18	
-4378	H91	SLES	1	29.7856	29.572	15.1634	HAL2	4377	0	0	0	0.09	
-4379	H92	SLES	1	31.0382	28.2949	14.851	HAL2	4377	0	0	0	0.09	
-4380	C10	SLES	1	29.5479	27.7459	16.3975	CTL2	4377	4381	4382	4383	-0.18	
-4381	H10	SLES	1	28.9751	28.2653	17.2125	HAL2	4380	0	0	0	0.09	
-4382	H10	SLES	1	30.2183	26.9979	16.9019	HAL2	4380	0	0	0	0.09	
-4383	C11	SLES	1	28.5639	26.9826	15.5718	CTL2	4380	4384	4385	4386	-0.18	
-4384	H11	SLES	1	27.8871	27.7264	15.0903	HAL2	4383	0	0	0	0.09	
-4385	H11	SLES	1	29.138	26.4516	14.7775	HAL2	4383	0	0	0	0.09	
-4386	C12	SLES	1	27.7958	26.0096	16.4707	CTL3	4383	4387	4388	4389	-0.27	
-4387	H12	SLES	1	26.7154	26.2517	16.4561	HAL3	4386	0	0	0	0.09	
-4388	H12	SLES	1	27.9747	24.9674	16.1417	HAL3	4386	0	0	0	0.09	
-4389	H12	SLES	1	28.122	26.0675	17.5383	HAL3	4386	0	0	0	0.09	
-4390	NA	SLES	1	32.8529	51.4393	16.9586	NA	0	0	0	0	1	
-4391	S	SLES	1	31.8821	50.4027	19.6339	SL	4392	4393	4394	4395	1.33	
-4392	OS1	SLES	1	31.3759	49.4338	18.6469	OSL	4391	4396	0	0	-0.28	
-4393	OS2	SLES	1	31.2106	51.4883	18.9549	O2L	4391	0	0	0	-0.65	
-4394	OS3	SLES	1	33.2436	50.1656	19.2126	O2L	4391	0	0	0	-0.65	
-4395	OS4	SLES	1	31.4288	49.9591	20.9222	O2L	4391	0	0	0	-0.65	
-4396	C2	SLES	1	30.6503	48.2934	18.8796	CC32A	4392	4397	4398	4399	-0.11	
-4397	H2A	SLES	1	29.6777	48.5369	19.3832	HCA2	4396	0	0	0	0.09	
-4398	H2B	SLES	1	31.2324	47.5694	19.5094	HCA2	4396	0	0	0	0.09	
-4399	C1	SLES	1	30.4283	47.7546	17.4499	CC32A	4396	4400	4401	4402	-0.01	
-4400	H1B	SLES	1	29.8747	48.5001	16.8222	HCA2	4399	0	0	0	0.09	
-4401	H1A	SLES	1	31.4039	47.5245	16.9555	HCA2	4399	0	0	0	0.09	
-4402	O1	SLES	1	29.704	46.5791	17.2834	OC30A	4399	4403	0	0	-0.34	
-4403	C2	SLES	1	29.188	45.9467	18.4404	CC32A	4402	4404	4405	4406	-0.01	
-4404	H2A	SLES	1	28.4896	46.6409	18.9898	HCA2	4403	0	0	0	0.09	
-4405	H2B	SLES	1	30.0059	45.6464	19.1363	HCA2	4403	0	0	0	0.09	
-4406	C1	SLES	1	28.4599	44.9494	17.4677	CC32A	4403	4407	4408	4409	-0.01	
-4407	H1B	SLES	1	27.4852	45.2694	17.8588	HCA2	4406	0	0	0	0.09	
-4408	H1A	SLES	1	29.1807	44.2172	17.9842	HCA2	4406	0	0	0	0.09	
-4409	O1	SLES	1	27.9967	43.7427	16.9187	OC30A	4406	4410	0	0	-0.34	
-4410	C1	SLES	1	27.2276	42.8814	17.7461	CTL2	4409	4411	4412	4413	-0.18	
-4411	H11	SLES	1	26.3959	43.368	18.3281	HAL2	4410	0	0	0	0.09	
-4412	H12	SLES	1	27.8861	42.3623	18.4873	HAL2	4410	0	0	0	0.09	
-4413	C2	SLES	1	26.6913	41.9306	16.6769	CTL2	4410	4414	4415	4416	-0.18	
-4414	H21	SLES	1	25.9849	42.4173	15.9622	HAL2	4413	0	0	0	0.09	
-4415	H22	SLES	1	27.4998	41.4213	16.0978	HAL2	4413	0	0	0	0.09	
-4416	C3	SLES	1	25.9623	40.9215	17.4685	CTL2	4413	4417	4418	4419	-0.18	
-4417	H31	SLES	1	25.1744	41.5027	18.0207	HAL2	4416	0	0	0	0.09	
-4418	H32	SLES	1	26.7333	40.4848	18.1617	HAL2	4416	0	0	0	0.09	
-4419	C4	SLES	1	25.2735	39.7696	16.8115	CTL2	4416	4420	4421	4422	-0.18	
-4420	H41	SLES	1	24.4825	40.1186	16.1028	HAL2	4419	0	0	0	0.09	
-4421	H42	SLES	1	25.9931	39.137	16.2407	HAL2	4419	0	0	0	0.09	
-4422	C5	SLES	1	24.7222	39.0992	18.0771	CTL2	4419	4423	4424	4425	-0.18	
-4423	H51	SLES	1	24.0651	39.8104	18.6448	HAL2	4422	0	0	0	0.09	
-4424	H52	SLES	1	25.5572	38.8398	18.7799	HAL2	4422	0	0	0	0.09	
-4425	C6	SLES	1	23.9398	37.8711	17.8957	CTL2	4422	4426	4427	4428	-0.18	
-4426	H61	SLES	1	22.9453	38.0573	18.3848	HAL2	4425	0	0	0	0.09	
-4427	H62	SLES	1	24.4415	37.0838	18.5201	HAL2	4425	0	0	0	0.09	
-4428	C7	SLES	1	23.749	37.3766	16.4568	CTL2	4425	4429	4430	4431	-0.18	
-4429	H71	SLES	1	23.1836	38.0841	15.8054	HAL2	4428	0	0	0	0.09	
-4430	H72	SLES	1	24.6983	37.0985	15.9426	HAL2	4428	0	0	0	0.09	
-4431	C8	SLES	1	22.9344	36.1649	16.732	CTL2	4428	4432	4433	4434	-0.18	
-4432	H81	SLES	1	22.0097	36.5196	17.268	HAL2	4431	0	0	0	0.09	
-4433	H82	SLES	1	23.5572	35.5135	17.4088	HAL2	4431	0	0	0	0.09	
-4434	C9	SLES	1	22.4715	35.297	15.6142	CTL2	4431	4435	4436	4437	-0.18	
-4435	H91	SLES	1	21.827	35.8783	14.9175	HAL2	4434	0	0	0	0.09	
-4436	H92	SLES	1	23.3448	34.8909	15.0559	HAL2	4434	0	0	0	0.09	
-4437	C10	SLES	1	21.7068	34.2308	16.3958	CTL2	4434	4438	4439	4440	-0.18	
-4438	H10	SLES	1	20.8871	34.7111	16.9954	HAL2	4437	0	0	0	0.09	
-4439	H10	SLES	1	22.3936	33.7312	17.1322	HAL2	4437	0	0	0	0.09	
-4440	C11	SLES	1	21.0852	33.1582	15.5617	CTL2	4437	4441	4442	4443	-0.18	
-4441	H11	SLES	1	20.3885	33.6554	14.8473	HAL2	4440	0	0	0	0.09	
-4442	H11	SLES	1	21.9041	32.6698	14.9845	HAL2	4440	0	0	0	0.09	
-4443	C12	SLES	1	20.3567	32.1665	16.4732	CTL3	4440	4444	4445	4446	-0.27	
-4444	H12	SLES	1	19.2764	32.1511	16.2306	HAL3	4443	0	0	0	0.09	
-4445	H12	SLES	1	20.8024	31.158	16.3694	HAL3	4443	0	0	0	0.09	
-4446	H12	SLES	1	20.4379	32.4416	17.5535	HAL3	4443	0	0	0	0.09	
-4447	NA	SLES	1	19.5057	57.8235	17.0662	NA	0	0	0	0	1	
-4448	S	SLES	1	18.1669	56.8124	19.588	SL	4449	4450	4451	4452	1.33	
-4449	OS1	SLES	1	18.1107	55.6786	18.6496	OSL	4448	4453	0	0	-0.28	
-4450	OS2	SLES	1	17.4678	57.661	18.649	O2L	4448	0	0	0	-0.65	
-4451	OS3	SLES	1	19.6081	56.855	19.4966	O2L	4448	0	0	0	-0.65	
-4452	OS4	SLES	1	17.5246	56.3828	20.7983	O2L	4448	0	0	0	-0.65	
-4453	C2	SLES	1	17.5958	54.4265	18.8693	CC32A	4449	4454	4455	4456	-0.11	
-4454	H2A	SLES	1	16.504	54.4843	19.1214	HCA2	4453	0	0	0	0.09	
-4455	H2B	SLES	1	18.1484	53.905	19.6952	HCA2	4453	0	0	0	0.09	
-4456	C1	SLES	1	17.8266	53.7389	17.5064	CC32A	4453	4457	4458	4459	-0.01	
-4457	H1B	SLES	1	17.2962	54.2878	16.6857	HCA2	4456	0	0	0	0.09	
-4458	H1A	SLES	1	18.9163	53.6956	17.2621	HCA2	4456	0	0	0	0.09	
-4459	O1	SLES	1	17.413	52.421	17.3439	OC30A	4456	4460	0	0	-0.34	
-4460	C2	SLES	1	16.7796	51.7834	18.438	CC32A	4459	4461	4462	4463	-0.01	
-4461	H2A	SLES	1	15.8473	52.3441	18.7343	HCA2	4460	0	0	0	0.09	
-4462	H2B	SLES	1	17.4559	51.7317	19.3232	HCA2	4460	0	0	0	0.09	
-4463	C1	SLES	1	16.5147	50.5731	17.4706	CC32A	4460	4464	4465	4466	-0.01	
-4464	H1B	SLES	1	15.4317	50.6957	17.6034	HCA2	4463	0	0	0	0.09	
-4465	H1A	SLES	1	17.2273	50.0658	18.217	HCA2	4463	0	0	0	0.09	
-4466	O1	SLES	1	16.4451	49.2532	16.9964	OC30A	4463	4467	0	0	-0.34	
-4467	C1	SLES	1	15.6938	48.3099	17.7472	CTL2	4466	4468	4469	4470	-0.18	
-4468	H11	SLES	1	14.6688	48.6417	18.0737	HAL2	4467	0	0	0	0.09	
-4469	H12	SLES	1	16.2519	48.0134	18.6708	HAL2	4467	0	0	0	0.09	
-4470	C2	SLES	1	15.6245	47.1803	16.7206	CTL2	4467	4471	4472	4473	-0.18	
-4471	H21	SLES	1	15.0211	47.4365	15.8167	HAL2	4470	0	0	0	0.09	
-4472	H22	SLES	1	16.6312	46.8214	16.395	HAL2	4470	0	0	0	0.09	
-4473	C3	SLES	1	14.9495	46.0997	17.4642	CTL2	4470	4474	4475	4476	-0.18	
-4474	H31	SLES	1	13.9541	46.5307	17.7589	HAL2	4473	0	0	0	0.09	
-4475	H32	SLES	1	15.6093	45.9047	18.3544	HAL2	4473	0	0	0	0.09	
-4476	C4	SLES	1	14.6794	44.7734	16.8309	CTL2	4473	4477	4478	4479	-0.18	
-4477	H41	SLES	1	14.0219	44.8775	15.9327	HAL2	4476	0	0	0	0.09	
-4478	H42	SLES	1	15.6245	44.2754	16.5104	HAL2	4476	0	0	0	0.09	
-4479	C5	SLES	1	13.9948	44.0996	18.0277	CTL2	4476	4480	4481	4482	-0.18	
-4480	H51	SLES	1	13.094	44.6878	18.3481	HAL2	4479	0	0	0	0.09	
-4481	H52	SLES	1	14.6775	44.0921	18.9178	HAL2	4479	0	0	0	0.09	
-4482	C6	SLES	1	13.5401	42.7164	17.8454	CTL2	4479	4483	4484	4485	-0.18	
-4483	H61	SLES	1	12.4424	42.7124	18.0862	HAL2	4482	0	0	0	0.09	
-4484	H62	SLES	1	14.0303	42.1149	18.6573	HAL2	4482	0	0	0	0.09	
-4485	C7	SLES	1	13.7938	42.0781	16.4744	CTL2	4482	4486	4487	4488	-0.18	
-4486	H71	SLES	1	13.2654	42.5856	15.6331	HAL2	4485	0	0	0	0.09	
-4487	H72	SLES	1	14.8728	41.9806	16.2116	HAL2	4485	0	0	0	0.09	
-4488	C8	SLES	1	13.1986	40.7401	16.7256	CTL2	4485	4489	4490	4491	-0.18	
-4489	H81	SLES	1	12.1225	40.9192	17.0049	HAL2	4488	0	0	0	0.09	
-4490	H82	SLES	1	13.7645	40.302	17.5964	HAL2	4488	0	0	0	0.09	
-4491	C9	SLES	1	13.1938	39.7037	15.6567	CTL2	4488	4492	4493	4494	-0.18	
-4492	H91	SLES	1	12.6261	40.0672	14.7711	HAL2	4491	0	0	0	0.09	
-4493	H92	SLES	1	14.2365	39.4613	15.3516	HAL2	4491	0	0	0	0.09	
-4494	C10	SLES	1	12.4987	38.5587	16.3905	CTL2	4491	4495	4496	4497	-0.18	
-4495	H10	SLES	1	11.4823	38.8885	16.7374	HAL2	4494	0	0	0	0.09	
-4496	H10	SLES	1	13.0809	38.2871	17.3129	HAL2	4494	0	0	0	0.09	
-4497	C11	SLES	1	12.3178	37.3105	15.5894	CTL2	4494	4498	4499	4500	-0.18	
-4498	H11	SLES	1	11.7215	37.5791	14.6865	HAL2	4497	0	0	0	0.09	
-4499	H11	SLES	1	13.3299	36.9744	15.2651	HAL2	4497	0	0	0	0.09	
-4500	C12	SLES	1	11.6119	36.2564	16.4471	CTL3	4497	4501	4502	4503	-0.27	
-4501	H12	SLES	1	10.6439	35.9788	15.9867	HAL3	4500	0	0	0	0.09	
-4502	H12	SLES	1	12.2632	35.3692	16.5701	HAL3	4500	0	0	0	0.09	
-4503	H12	SLES	1	11.3818	36.6283	17.4758	HAL3	4500	0	0	0	0.09	
-4504	NA	SLES	1	4.97357	60.7985	17.2952	NA	0	0	0	0	1	
-4505	S	SLES	1	3.29597	59.5683	19.4967	SL	4506	4507	4508	4509	1.33	
-4506	OS1	SLES	1	3.70875	58.4316	18.656	OSL	4505	4510	0	0	-0.28	
-4507	OS2	SLES	1	2.68872	60.2247	18.3605	O2L	4505	0	0	0	-0.65	
-4508	OS3	SLES	1	4.67418	59.9237	19.7448	O2L	4505	0	0	0	-0.65	
-4509	OS4	SLES	1	2.47946	59.0322	20.5492	O2L	4505	0	0	0	-0.65	
-4510	C2	SLES	1	3.42718	57.1017	18.8381	CC32A	4506	4511	4512	4513	-0.11	
-4511	H2A	SLES	1	2.31947	56.9239	18.8209	HCA2	4510	0	0	0	0.09	
-4512	H2B	SLES	1	3.85567	56.7301	19.8065	HCA2	4510	0	0	0	0.09	
-4513	C1	SLES	1	4.12346	56.4547	17.6214	CC32A	4510	4514	4515	4516	-0.01	
-4514	H1B	SLES	1	3.70908	56.8581	16.6613	HCA2	4513	0	0	0	0.09	
-4515	H1A	SLES	1	5.22435	56.6464	17.6447	HCA2	4513	0	0	0	0.09	
-4516	O1	SLES	1	4.04543	55.0754	17.4618	OC30A	4513	4517	0	0	-0.34	
-4517	C2	SLES	1	3.30911	54.3361	18.4189	CC32A	4516	4518	4519	4520	-0.01	
-4518	H2A	SLES	1	2.23712	54.6848	18.4456	HCA2	4517	0	0	0	0.09	
-4519	H2B	SLES	1	3.74259	54.451	19.4399	HCA2	4517	0	0	0	0.09	
-4520	C1	SLES	1	3.54736	53.0785	17.5064	CC32A	4517	4521	4522	4523	-0.01	
-4521	H1B	SLES	1	2.46382	52.9636	17.3709	HCA2	4520	0	0	0	0.09	
-4522	H1A	SLES	1	4.14393	52.7542	18.4344	HCA2	4520	0	0	0	0.09	
-4523	O1	SLES	1	3.87201	51.7663	17.1259	OC30A	4520	4524	0	0	-0.34	
-4524	C1	SLES	1	3.17193	50.6963	17.7447	CTL2	4523	4525	4526	4527	-0.18	
-4525	H11	SLES	1	2.05232	50.802	17.7954	HAL2	4524	0	0	0	0.09	
-4526	H12	SLES	1	3.53489	50.5473	18.7928	HAL2	4524	0	0	0	0.09	
-4527	C2	SLES	1	3.59315	49.559	16.8151	CTL2	4524	4528	4529	4530	-0.18	
-4528	H21	SLES	1	3.19086	49.6593	15.7784	HAL2	4527	0	0	0	0.09	
-4529	H22	SLES	1	4.70091	49.4231	16.7629	HAL2	4527	0	0	0	0.09	
-4530	C3	SLES	1	2.9956	48.3716	17.4548	CTL2	4527	4531	4532	4533	-0.18	
-4531	H31	SLES	1	1.89126	48.58	17.4745	HAL2	4530	0	0	0	0.09	
-4532	H32	SLES	1	3.44192	48.3433	18.4871	HAL2	4530	0	0	0	0.09	
-4533	C4	SLES	1	3.17091	47.0063	16.8732	CTL2	4530	4534	4535	4536	-0.18	
-4534	H41	SLES	1	2.74756	46.9463	15.8403	HAL2	4533	0	0	0	0.09	
-4535	H42	SLES	1	4.2479	46.7212	16.8215	HAL2	4533	0	0	0	0.09	
-4536	C5	SLES	1	2.36836	46.2225	17.9204	CTL2	4533	4537	4538	4539	-0.18	
-4537	H51	SLES	1	1.31462	46.6053	17.9761	HAL2	4536	0	0	0	0.09	
-4538	H52	SLES	1	2.79748	46.382	18.9445	HAL2	4536	0	0	0	0.09	
-4539	C6	SLES	1	2.26977	44.7699	17.7366	CTL2	4536	4540	4541	4542	-0.18	
-4540	H61	SLES	1	1.1721	44.5304	17.7115	HAL2	4539	0	0	0	0.09	
-4541	H62	SLES	1	2.65918	44.3064	18.6825	HAL2	4539	0	0	0	0.09	
-4542	C7	SLES	1	2.97957	44.176	16.5139	CTL2	4539	4543	4544	4545	-0.18	
-4543	H71	SLES	1	2.58063	44.539	15.5373	HAL2	4542	0	0	0	0.09	
-4544	H72	SLES	1	4.08599	44.312	16.5207	HAL2	4542	0	0	0	0.09	
-4545	C8	SLES	1	2.63201	42.7454	16.7138	CTL2	4542	4546	4547	4548	-0.18	
-4546	H81	SLES	1	1.50727	42.6899	16.7179	HAL2	4545	0	0	0	0.09	
-4547	H82	SLES	1	3.04467	42.4589	17.7228	HAL2	4545	0	0	0	0.09	
-4548	C9	SLES	1	3.10533	41.7123	15.7518	CTL2	4545	4549	4550	4551	-0.18	
-4549	H91	SLES	1	2.71002	41.9254	14.7334	HAL2	4548	0	0	0	0.09	
-4550	H92	SLES	1	4.21796	41.6982	15.7194	HAL2	4548	0	0	0	0.09	
-4551	C10	SLES	1	2.50453	40.4575	16.3819	CTL2	4548	4552	4553	4554	-0.18	
-4552	H10	SLES	1	1.3884	40.5635	16.4545	HAL2	4551	0	0	0	0.09	
-4553	H10	SLES	1	2.88534	40.3381	17.4327	HAL2	4551	0	0	0	0.09	
-4554	C11	SLES	1	2.78929	39.1846	15.6532	CTL2	4551	4555	4556	4557	-0.18	
-4555	H11	SLES	1	2.39089	39.2984	14.6181	HAL2	4554	0	0	0	0.09	
-4556	H11	SLES	1	3.89706	39.072	15.6018	HAL2	4554	0	0	0	0.09	
-4557	C12	SLES	1	2.12892	38.0185	16.3941	CTL3	4554	4558	4559	4560	-0.27	
-4558	H12	SLES	1	1.38318	37.5267	15.7399	HAL3	4557	0	0	0	0.09	
-4559	H12	SLES	1	2.89953	37.298	16.7311	HAL3	4557	0	0	0	0.09	
-4560	H12	SLES	1	1.58101	38.351	17.3099	HAL3	4557	0	0	0	0.09	
-4561	NA	SLES	1	-9.90967	60.1552	17.6314	NA	0	0	0	0	1	
-4562	S	SLES	1	-11.7666	58.5065	19.3657	SL	4563	4564	4565	4566	1.33	
-4563	OS1	SLES	1	-10.9273	57.5192	18.6657	OSL	4562	4567	0	0	-0.28	
-4564	OS2	SLES	1	-12.2062	59.0671	18.1075	O2L	4562	0	0	0	-0.65	
-4565	OS3	SLES	1	-10.5997	59.1343	19.9416	O2L	4562	0	0	0	-0.65	
-4566	OS4	SLES	1	-12.6792	57.766	20.1907	O2L	4562	0	0	0	-0.65	
-4567	C2	SLES	1	-10.9516	56.1533	18.7879	CC32A	4563	4568	4569	4570	-0.11	
-4568	H2A	SLES	1	-11.9569	55.7463	18.5004	HCA2	4567	0	0	0	0.09	
-4569	H2B	SLES	1	-10.7016	55.8401	19.8363	HCA2	4567	0	0	0	0.09	
-4570	C1	SLES	1	-9.85819	55.7201	17.7878	CC32A	4567	4571	4572	4573	-0.01	
-4571	H1B	SLES	1	-10.1037	56.0669	16.7506	HCA2	4570	0	0	0	0.09	
-4572	H1A	SLES	1	-8.86379	56.1389	18.0793	HCA2	4570	0	0	0	0.09	
-4573	O1	SLES	1	-9.59636	54.3634	17.6295	OC30A	4570	4574	0	0	-0.34	
-4574	C2	SLES	1	-10.3662	53.4454	18.3842	CC32A	4573	4575	4576	4577	-0.01	
-4575	H2A	SLES	1	-11.4617	53.5582	18.142	HCA2	4574	0	0	0	0.09	
-4576	H2B	SLES	1	-10.229	53.6062	19.4791	HCA2	4574	0	0	0	0.09	
-4577	C1	SLES	1	-9.64855	52.3063	17.5729	CC32A	4574	4578	4579	4580	-0.01	
-4578	H1B	SLES	1	-10.6158	51.9708	17.176	HCA2	4577	0	0	0	0.09	
-4579	H1A	SLES	1	-9.23996	52.0765	18.623	HCA2	4577	0	0	0	0.09	
-4580	O1	SLES	1	-8.96664	51.1096	17.2991	OC30A	4577	4581	0	0	-0.34	
-4581	C1	SLES	1	-9.54887	49.8907	17.7386	CTL2	4580	4582	4583	4584	-0.18	
-4582	H11	SLES	1	-10.6429	49.7551	17.5107	HAL2	4581	0	0	0	0.09	
-4583	H12	SLES	1	-9.42813	49.7776	18.8454	HAL2	4581	0	0	0	0.09	
-4584	C2	SLES	1	-8.67985	48.9084	16.9544	CTL2	4581	4585	4586	4587	-0.18	
-4585	H21	SLES	1	-8.83007	48.965	15.8495	HAL2	4584	0	0	0	0.09	
-4586	H22	SLES	1	-7.59013	49.0119	17.1783	HAL2	4584	0	0	0	0.09	
-4587	C3	SLES	1	-9.14493	47.5956	17.4408	CTL2	4584	4588	4589	4590	-0.18	
-4588	H31	SLES	1	-10.2391	47.5648	17.1855	HAL2	4587	0	0	0	0.09	
-4589	H32	SLES	1	-8.9675	47.6187	18.5515	HAL2	4587	0	0	0	0.09	
-4590	C4	SLES	1	-8.54399	46.3239	16.9359	CTL2	4587	4591	4592	4593	-0.18	
-4591	H41	SLES	1	-8.68055	46.2195	15.8313	HAL2	4590	0	0	0	0.09	
-4592	H42	SLES	1	-7.45138	46.2753	17.1544	HAL2	4590	0	0	0	0.09	
-4593	C5	SLES	1	-9.38881	45.3447	17.7621	CTL2	4590	4594	4595	4596	-0.18	
-4594	H51	SLES	1	-10.4814	45.4935	17.5521	HAL2	4593	0	0	0	0.09	
-4595	H52	SLES	1	-9.26607	45.5479	18.8584	HAL2	4593	0	0	0	0.09	
-4596	C6	SLES	1	-9.12481	43.9132	17.5762	CTL2	4593	4597	4598	4599	-0.18	
-4597	H61	SLES	1	-10.1054	43.4484	17.2842	HAL2	4596	0	0	0	0.09	
-4598	H62	SLES	1	-8.88653	43.5029	18.5941	HAL2	4596	0	0	0	0.09	
-4599	C7	SLES	1	-8.02856	43.5349	16.5729	CTL2	4596	4600	4601	4602	-0.18	
-4600	H71	SLES	1	-8.24674	43.8463	15.5241	HAL2	4599	0	0	0	0.09	
-4601	H72	SLES	1	-7.01295	43.9013	16.8504	HAL2	4599	0	0	0	0.09	
-4602	C8	SLES	1	-8.09798	42.056	16.6974	CTL2	4599	4603	4604	4605	-0.18	
-4603	H81	SLES	1	-9.15088	41.764	16.4249	HAL2	4602	0	0	0	0.09	
-4604	H82	SLES	1	-7.89115	41.8208	17.7802	HAL2	4602	0	0	0	0.09	
-4605	C9	SLES	1	-7.19422	41.1878	15.8934	CTL2	4602	4606	4607	4608	-0.18	
-4606	H91	SLES	1	-7.36656	41.3553	14.8067	HAL2	4605	0	0	0	0.09	
-4607	H92	SLES	1	-6.13094	41.4106	16.1364	HAL2	4605	0	0	0	0.09	
-4608	C10	SLES	1	-7.64554	39.8089	16.3704	CTL2	4605	4609	4610	4611	-0.18	
-4609	H10	SLES	1	-8.7417	39.6735	16.1647	HAL2	4608	0	0	0	0.09	
-4610	H10	SLES	1	-7.51494	39.7285	17.4839	HAL2	4608	0	0	0	0.09	
-4611	C11	SLES	1	-6.92519	38.6568	15.7489	CTL2	4608	4612	4613	4614	-0.18	
-4612	H11	SLES	1	-7.07505	38.7275	14.6464	HAL2	4611	0	0	0	0.09	
-4613	H11	SLES	1	-5.84068	38.7832	15.9733	HAL2	4611	0	0	0	0.09	
-4614	C12	SLES	1	-7.47888	37.3473	16.3177	CTL3	4611	4615	4616	4617	-0.27	
-4615	H12	SLES	1	-7.91945	36.7371	15.5055	HAL3	4614	0	0	0	0.09	
-4616	H12	SLES	1	-6.67679	36.7924	16.8422	HAL3	4614	0	0	0	0.09	
-4617	H12	SLES	1	-8.29118	37.5176	17.0664	HAL3	4614	0	0	0	0.09	
-4618	NA	SLES	1	-24.2677	55.8762	18.0535	NA	0	0	0	0	1	
-4619	S	SLES	1	-26.0527	53.716	19.2032	SL	4620	4621	4622	4623	1.33	
-4620	OS1	SLES	1	-24.8795	52.997	18.6779	OSL	4619	4624	0	0	-0.28	
-4621	OS2	SLES	1	-26.3115	54.2995	17.9059	O2L	4619	0	0	0	-0.65	
-4622	OS3	SLES	1	-25.2148	54.5072	20.0746	O2L	4619	0	0	0	-0.65	
-4623	OS4	SLES	1	-26.9393	52.725	19.7452	O2L	4619	0	0	0	-0.65	
-4624	C2	SLES	1	-24.6264	51.6497	18.722	CC32A	4620	4625	4626	4627	-0.11	
-4625	H2A	SLES	1	-25.425	51.0773	18.1802	HCA2	4624	0	0	0	0.09	
-4626	H2B	SLES	1	-24.5553	51.2896	19.7825	HCA2	4624	0	0	0	0.09	
-4627	C1	SLES	1	-23.2679	51.5525	17.9949	CC32A	4624	4628	4629	4630	-0.01	
-4628	H1B	SLES	1	-23.3447	51.9452	16.9479	HCA2	4627	0	0	0	0.09	
-4629	H1A	SLES	1	-22.4832	52.1338	18.5385	HCA2	4627	0	0	0	0.09	
-4630	O1	SLES	1	-22.6823	50.301	17.8367	OC30A	4627	4631	0	0	-0.34	
-4631	C2	SLES	1	-23.3782	49.1736	18.3361	CC32A	4630	4632	4633	4634	-0.01	
-4632	H2A	SLES	1	-24.3881	49.0842	17.8426	HCA2	4631	0	0	0	0.09	
-4633	H2B	SLES	1	-23.5299	49.2472	19.4384	HCA2	4631	0	0	0	0.09	
-4634	C1	SLES	1	-22.2617	48.2932	17.6659	CC32A	4631	4635	4636	4637	-0.01	
-4635	H1B	SLES	1	-23.0154	47.8092	17.031	HCA2	4634	0	0	0	0.09	
-4636	H1A	SLES	1	-22.059	48.0465	18.7707	HCA2	4634	0	0	0	0.09	
-4637	O1	SLES	1	-21.2871	47.295	17.5052	OC30A	4634	4638	0	0	-0.34	
-4638	C1	SLES	1	-21.6672	45.9447	17.7293	CTL2	4637	4639	4640	4641	-0.18	
-4639	H11	SLES	1	-22.6238	45.6124	17.2376	HAL2	4638	0	0	0	0.09	
-4640	H12	SLES	1	-21.7764	45.7472	18.8254	HAL2	4638	0	0	0	0.09	
-4641	C2	SLES	1	-20.4481	45.2452	17.1299	CTL2	4638	4642	4643	4644	-0.18	
-4642	H21	SLES	1	-20.3548	45.3816	16.0257	HAL2	4641	0	0	0	0.09	
-4643	H22	SLES	1	-19.4876	45.5458	17.6151	HAL2	4641	0	0	0	0.09	
-4644	C3	SLES	1	-20.7067	43.8227	17.423	CTL2	4641	4645	4646	4647	-0.18	
-4645	H31	SLES	1	-21.6805	43.5952	16.9099	HAL2	4644	0	0	0	0.09	
-4646	H32	SLES	1	-20.7933	43.7689	18.5435	HAL2	4644	0	0	0	0.09	
-4647	C4	SLES	1	-19.7404	42.7584	17.0151	CTL2	4644	4648	4649	4650	-0.18	
-4648	H41	SLES	1	-19.5984	42.7407	15.9063	HAL2	4647	0	0	0	0.09	
-4649	H42	SLES	1	-18.7421	42.912	17.4881	HAL2	4647	0	0	0	0.09	
-4650	C5	SLES	1	-20.5098	41.5487	17.5625	CTL2	4647	4651	4652	4653	-0.18	
-4651	H51	SLES	1	-21.5323	41.4917	17.1027	HAL2	4650	0	0	0	0.09	
-4652	H52	SLES	1	-20.6851	41.6606	18.6649	HAL2	4650	0	0	0	0.09	
-4653	C6	SLES	1	-19.8993	40.2277	17.3743	CTL2	4650	4654	4655	4656	-0.18	
-4654	H61	SLES	1	-20.6606	39.6044	16.8313	HAL2	4653	0	0	0	0.09	
-4655	H62	SLES	1	-19.8109	39.7737	18.3977	HAL2	4653	0	0	0	0.09	
-4656	C7	SLES	1	-18.5496	40.1848	16.6477	CTL2	4653	4657	4658	4659	-0.18	
-4657	H71	SLES	1	-18.59	40.5496	15.5942	HAL2	4656	0	0	0	0.09	
-4658	H72	SLES	1	-17.73	40.7208	17.1802	HAL2	4656	0	0	0	0.09	
-4659	C8	SLES	1	-18.3146	38.718	16.6773	CTL2	4656	4660	4661	4662	-0.18	
-4660	H81	SLES	1	-19.1873	38.2463	16.1443	HAL2	4659	0	0	0	0.09	
-4661	H82	SLES	1	-18.3096	38.4216	17.7648	HAL2	4659	0	0	0	0.09	
-4662	C9	SLES	1	-17.0835	38.1387	16.0728	CTL2	4659	4663	4664	4665	-0.18	
-4663	H91	SLES	1	-17.0399	38.3767	14.9865	HAL2	4662	0	0	0	0.09	
-4664	H92	SLES	1	-16.1789	38.5481	16.5761	HAL2	4662	0	0	0	0.09	
-4665	C10	SLES	1	-17.3123	36.6556	16.3569	CTL2	4662	4666	4667	4668	-0.18	
-4666	H10	SLES	1	-18.2758	36.3208	15.886	HAL2	4665	0	0	0	0.09	
-4667	H10	SLES	1	-17.4208	36.4912	17.4635	HAL2	4665	0	0	0	0.09	
-4668	C11	SLES	1	-16.233	35.7439	15.8706	CTL2	4665	4669	4670	4671	-0.18	
-4669	H11	SLES	1	-16.143	35.8939	14.7695	HAL2	4668	0	0	0	0.09	
-4670	H11	SLES	1	-15.2826	36.0657	16.3563	HAL2	4668	0	0	0	0.09	
-4671	C12	SLES	1	-16.5949	34.2982	16.2224	CTL3	4668	4672	4673	4674	-0.27	
-4672	H12	SLES	1	-16.6946	33.6964	15.2983	HAL3	4671	0	0	0	0.09	
-4673	H12	SLES	1	-15.8286	33.8686	16.8966	HAL3	4671	0	0	0	0.09	
-4674	H12	SLES	1	-17.5718	34.2223	16.7605	HAL3	4671	0	0	0	0.09	
-4675	NA	SLES	1	-37.2222	48.1514	18.5352	NA	0	0	0	0	1	
-4676	S	SLES	1	-38.6566	45.528	19.0195	SL	4677	4678	4679	4680	1.33	
-4677	OS1	SLES	1	-37.2721	45.1469	18.692	OSL	4676	4681	0	0	-0.28	
-4678	OS2	SLES	1	-38.7864	46.241	17.7683	O2L	4676	0	0	0	-0.65	
-4679	OS3	SLES	1	-38.2043	46.3265	20.1354	O2L	4676	0	0	0	-0.65	
-4680	OS4	SLES	1	-39.3822	44.3088	19.2408	O2L	4676	0	0	0	-0.65	
-4681	C2	SLES	1	-36.7328	43.8867	18.6443	CC32A	4677	4682	4683	4684	-0.11	
-4682	H2A	SLES	1	-37.2607	43.2571	17.8803	HCA2	4681	0	0	0	0.09	
-4683	H2B	SLES	1	-36.7874	43.389	19.6487	HCA2	4681	0	0	0	0.09	
-4684	C1	SLES	1	-35.2739	44.1754	18.2299	CC32A	4681	4685	4686	4687	-0.01	
-4685	H1B	SLES	1	-35.2348	44.7014	17.2408	HCA2	4684	0	0	0	0.09	
-4686	H1A	SLES	1	-34.7616	44.8106	18.9936	HCA2	4684	0	0	0	0.09	
-4687	O1	SLES	1	-34.4	43.1054	18.0702	OC30A	4684	4688	0	0	-0.34	
-4688	C2	SLES	1	-34.9043	41.7986	18.2776	CC32A	4687	4689	4690	4691	-0.01	
-4689	H2A	SLES	1	-35.753	41.5869	17.5661	HCA2	4688	0	0	0	0.09	
-4690	H2B	SLES	1	-35.2781	41.6699	19.3203	HCA2	4688	0	0	0	0.09	
-4691	C1	SLES	1	-33.5093	41.2724	17.7797	CC32A	4688	4692	4693	4694	-0.01	
-4692	H1B	SLES	1	-33.9966	40.7515	16.9448	HCA2	4691	0	0	0	0.09	
-4693	H1A	SLES	1	-33.4725	40.9039	18.8683	HCA2	4691	0	0	0	0.09	
-4694	O1	SLES	1	-32.3212	40.5254	17.7311	OC30A	4691	4695	0	0	-0.34	
-4695	C1	SLES	1	-32.4204	39.1084	17.7175	CTL2	4694	4696	4697	4698	-0.18	
-4696	H11	SLES	1	-33.1633	38.6718	16.9931	HAL2	4695	0	0	0	0.09	
-4697	H12	SLES	1	-32.6908	38.7266	18.7341	HAL2	4695	0	0	0	0.09	
-4698	C2	SLES	1	-30.9822	38.7667	17.3304	CTL2	4695	4699	4700	4701	-0.18	
-4699	H21	SLES	1	-30.7114	39.0874	16.2958	HAL2	4698	0	0	0	0.09	
-4700	H22	SLES	1	-30.2271	39.1743	18.046	HAL2	4698	0	0	0	0.09	
-4701	C3	SLES	1	-30.9623	37.2934	17.4027	CTL2	4698	4702	4703	4704	-0.18	
-4702	H31	SLES	1	-31.7414	36.9581	16.6651	HAL2	4701	0	0	0	0.09	
-4703	H32	SLES	1	-31.2484	37.0515	18.4635	HAL2	4701	0	0	0	0.09	
-4704	C4	SLES	1	-29.7194	36.5188	17.1056	CTL2	4701	4705	4706	4707	-0.18	
-4705	H41	SLES	1	-29.3663	36.7008	16.0606	HAL2	4704	0	0	0	0.09	
-4706	H42	SLES	1	-28.8924	36.7936	17.8017	HAL2	4704	0	0	0	0.09	
-4707	C5	SLES	1	-30.2844	35.1105	17.3344	CTL2	4704	4708	4709	4710	-0.18	
-4708	H51	SLES	1	-31.1589	34.9224	16.6562	HAL2	4707	0	0	0	0.09	
-4709	H52	SLES	1	-30.6894	35.014	18.3761	HAL2	4707	0	0	0	0.09	
-4710	C6	SLES	1	-29.3652	33.9827	17.1436	CTL2	4707	4711	4712	4713	-0.18	
-4711	H61	SLES	1	-29.8457	33.3115	16.3811	HAL2	4710	0	0	0	0.09	
-4712	H62	SLES	1	-29.3747	33.4033	18.1056	HAL2	4710	0	0	0	0.09	
-4713	C7	SLES	1	-27.9271	34.3221	16.7335	CTL2	4710	4714	4715	4716	-0.18	
-4714	H71	SLES	1	-27.8457	34.8294	15.7432	HAL2	4713	0	0	0	0.09	
-4715	H72	SLES	1	-27.369	34.9222	17.4893	HAL2	4713	0	0	0	0.09	
-4716	C8	SLES	1	-27.3751	32.9449	16.6549	CTL2	4713	4717	4718	4719	-0.18	
-4717	H81	SLES	1	-27.9984	32.3966	15.8939	HAL2	4716	0	0	0	0.09	
-4718	H82	SLES	1	-27.5124	32.4916	17.6777	HAL2	4716	0	0	0	0.09	
-4719	C9	SLES	1	-25.9518	32.7228	16.2786	CTL2	4716	4720	4721	4722	-0.18	
-4720	H91	SLES	1	-25.7551	33.1291	15.2613	HAL2	4719	0	0	0	0.09	
-4721	H92	SLES	1	-25.2782	33.2217	17.0111	HAL2	4719	0	0	0	0.09	
-4722	C10	SLES	1	-25.8879	31.1982	16.3421	CTL2	4719	4723	4724	4725	-0.18	
-4723	H10	SLES	1	-26.6409	30.7546	15.6361	HAL2	4722	0	0	0	0.09	
-4724	H10	SLES	1	-26.1672	30.8469	17.3727	HAL2	4722	0	0	0	0.09	
-4725	C11	SLES	1	-24.5568	30.6059	16.0108	CTL2	4722	4726	4727	4728	-0.18	
-4726	H11	SLES	1	-24.2929	30.9385	14.9798	HAL2	4725	0	0	0	0.09	
-4727	H11	SLES	1	-23.8162	31.0318	16.7267	HAL2	4725	0	0	0	0.09	
-4728	C12	SLES	1	-24.6415	29.0804	16.1144	CTL3	4725	4729	4730	4731	-0.27	
-4729	H12	SLES	1	-24.422	28.6205	15.1314	HAL3	4728	0	0	0	0.09	
-4730	H12	SLES	1	-23.9421	28.7135	16.8908	HAL3	4728	0	0	0	0.09	
-4731	H12	SLES	1	-25.6603	28.7294	16.4114	HAL3	4728	0	0	0	0.09	
-4732	NA	SLES	1	-47.9418	37.3855	19.046	NA	0	0	0	0	1	
-4733	S	SLES	1	-48.7938	34.4872	18.8261	SL	4734	4735	4736	4737	1.33	
-4734	OS1	SLES	1	-47.326	34.4598	18.707	OSL	4733	4738	0	0	-0.28	
-4735	OS2	SLES	1	-48.8962	35.3927	17.7035	O2L	4733	0	0	0	-0.65	
-4736	OS3	SLES	1	-48.7066	35.1235	20.1203	O2L	4733	0	0	0	-0.65	
-4737	OS4	SLES	1	-49.2459	33.1293	18.7092	O2L	4733	0	0	0	-0.65	
-4738	C2	SLES	1	-46.5118	33.3658	18.5599	CC32A	4734	4739	4740	4741	-0.11	
-4739	H2A	SLES	1	-46.7625	32.8073	17.6196	HCA2	4738	0	0	0	0.09	
-4740	H2B	SLES	1	-46.5994	32.6792	19.4433	HCA2	4738	0	0	0	0.09	
-4741	C1	SLES	1	-45.1127	34.0134	18.4779	CC32A	4738	4742	4743	4744	-0.01	
-4742	H1B	SLES	1	-45.0488	34.7211	17.611	HCA2	4741	0	0	0	0.09	
-4743	H1A	SLES	1	-44.8782	34.5742	19.4158	HCA2	4741	0	0	0	0.09	
-4744	O1	SLES	1	-44.0035	33.1903	18.3154	OC30A	4741	4745	0	0	-0.34	
-4745	C2	SLES	1	-44.2206	31.7949	18.2124	CC32A	4744	4746	4747	4748	-0.01	
-4746	H2A	SLES	1	-44.8834	31.5639	17.3299	HCA2	4745	0	0	0	0.09	
-4747	H2B	SLES	1	-44.7054	31.3918	19.1322	HCA2	4745	0	0	0	0.09	
-4748	C1	SLES	1	-42.6843	31.6637	17.9069	CC32A	4745	4749	4750	4751	-0.01	
-4749	H1B	SLES	1	-42.9103	31.2317	16.9231	HCA2	4748	0	0	0	0.09	
-4750	H1A	SLES	1	-42.726	31.1026	18.9098	HCA2	4748	0	0	0	0.09	
-4751	O1	SLES	1	-41.3631	31.1911	17.9628	OC30A	4748	4752	0	0	-0.34	
-4752	C1	SLES	1	-41.1325	29.8135	17.7038	CTL2	4751	4753	4754	4755	-0.18	
-4753	H11	SLES	1	-41.6401	29.3901	16.7926	HAL2	4752	0	0	0	0.09	
-4754	H12	SLES	1	-41.456	29.1931	18.5772	HAL2	4752	0	0	0	0.09	
-4755	C2	SLES	1	-39.6132	29.8463	17.5434	CTL2	4752	4756	4757	4758	-0.18	
-4756	H21	SLES	1	-39.2727	30.4117	16.6429	HAL2	4755	0	0	0	0.09	
-4757	H22	SLES	1	-39.086	30.2461	18.4437	HAL2	4755	0	0	0	0.09	
-4758	C3	SLES	1	-39.2678	28.4213	17.381	CTL2	4755	4759	4760	4761	-0.18	
-4759	H31	SLES	1	-39.8315	28.0906	16.4665	HAL2	4758	0	0	0	0.09	
-4760	H32	SLES	1	-39.6451	27.9234	18.3167	HAL2	4758	0	0	0	0.09	
-4761	C4	SLES	1	-37.8508	27.9821	17.2019	CTL2	4758	4762	4763	4764	-0.18	
-4762	H41	SLES	1	-37.3978	28.4326	16.2845	HAL2	4761	0	0	0	0.09	
-4763	H42	SLES	1	-37.2212	28.2723	18.0755	HAL2	4761	0	0	0	0.09	
-4764	C5	SLES	1	-38.1063	26.4728	17.0919	CTL2	4761	4765	4766	4767	-0.18	
-4765	H51	SLES	1	-38.8042	26.2528	16.2407	HAL2	4764	0	0	0	0.09	
-4766	H52	SLES	1	-38.6283	26.0948	18.0101	HAL2	4764	0	0	0	0.09	
-4767	C6	SLES	1	-36.9357	25.6094	16.8985	CTL2	4764	4768	4769	4770	-0.18	
-4768	H61	SLES	1	-37.1315	25.0201	15.9619	HAL2	4767	0	0	0	0.09	
-4769	H62	SLES	1	-36.9549	24.8617	17.7362	HAL2	4767	0	0	0	0.09	
-4770	C7	SLES	1	-35.5688	26.3007	16.825	CTL2	4767	4771	4772	4773	-0.18	
-4771	H71	SLES	1	-35.4598	26.9991	15.9619	HAL2	4770	0	0	0	0.09	
-4772	H72	SLES	1	-35.2811	26.8384	17.7582	HAL2	4770	0	0	0	0.09	
-4773	C8	SLES	1	-34.7112	25.103	16.6315	CTL2	4770	4774	4775	4776	-0.18	
-4774	H81	SLES	1	-35.0727	24.6032	15.6893	HAL2	4773	0	0	0	0.09	
-4775	H82	SLES	1	-34.8911	24.439	17.5243	HAL2	4773	0	0	0	0.09	
-4776	C9	SLES	1	-33.2352	25.2455	16.4979	CTL2	4773	4777	4778	4779	-0.18	
-4777	H91	SLES	1	-32.988	25.8751	15.614	HAL2	4776	0	0	0	0.09	
-4778	H92	SLES	1	-32.8098	25.7135	17.414	HAL2	4776	0	0	0	0.09	
-4779	C10	SLES	1	-32.8344	23.7817	16.3271	CTL2	4776	4780	4781	4782	-0.18	
-4780	H10	SLES	1	-33.3529	23.3459	15.4307	HAL2	4779	0	0	0	0.09	
-4781	H10	SLES	1	-33.1756	23.186	17.2171	HAL2	4779	0	0	0	0.09	
-4782	C11	SLES	1	-31.3691	23.5416	16.1604	CTL2	4779	4783	4784	4785	-0.18	
-4783	H11	SLES	1	-31.0385	24.1164	15.2641	HAL2	4782	0	0	0	0.09	
-4784	H11	SLES	1	-30.8601	23.9561	17.0613	HAL2	4782	0	0	0	0.09	
-4785	C12	SLES	1	-31.1172	22.0397	16.0005	CTL3	4782	4786	4787	4788	-0.27	
-4786	H12	SLES	1	-30.6551	21.8352	15.0153	HAL3	4785	0	0	0	0.09	
-4787	H12	SLES	1	-30.4754	21.6728	16.8251	HAL3	4785	0	0	0	0.09	
-4788	H12	SLES	1	-32.0612	21.4425	16.0411	HAL3	4785	0	0	0	0.09	
-4789	NA	SLES	1	-55.6989	24.1926	19.554	NA	0	0	0	0	1	
-4790	S	SLES	1	-55.8482	21.3103	18.6351	SL	4791	4792	4793	4794	1.33	
-4791	OS1	SLES	1	-54.4078	21.6052	18.7221	OSL	4790	4795	0	0	-0.28	
-4792	OS2	SLES	1	-56.0463	22.4083	17.7155	O2L	4790	0	0	0	-0.65	
-4793	OS3	SLES	1	-56.03	21.6393	20.0301	O2L	4790	0	0	0	-0.65	
-4794	OS4	SLES	1	-55.9681	19.9525	18.1837	O2L	4790	0	0	0	-0.65	
-4795	C2	SLES	1	-53.357	20.7593	18.474	CC32A	4791	4796	4797	4798	-0.11	
-4796	H2A	SLES	1	-53.3848	20.3911	17.4145	HCA2	4795	0	0	0	0.09	
-4797	H2B	SLES	1	-53.37	19.8863	19.1791	HCA2	4795	0	0	0	0.09	
-4798	C1	SLES	1	-52.1394	21.6752	18.7234	CC32A	4795	4799	4800	4801	-0.01	
-4799	H1B	SLES	1	-52.1557	22.5598	18.0352	HCA2	4798	0	0	0	0.09	
-4800	H1A	SLES	1	-52.1277	22.0429	19.7788	HCA2	4798	0	0	0	0.09	
-4801	O1	SLES	1	-50.8625	21.15	18.5569	OC30A	4798	4802	0	0	-0.34	
-4802	C2	SLES	1	-50.7474	19.8003	18.1446	CC32A	4801	4803	4804	4805	-0.01	
-4803	H2A	SLES	1	-51.2542	19.6484	17.1489	HCA2	4802	0	0	0	0.09	
-4804	H2B	SLES	1	-51.2132	19.1096	18.886	HCA2	4802	0	0	0	0.09	
-4805	C1	SLES	1	-49.1994	20.0525	18.0397	CC32A	4802	4806	4807	4808	-0.01	
-4806	H1B	SLES	1	-49.2278	19.8197	16.967	HCA2	4805	0	0	0	0.09	
-4807	H1A	SLES	1	-49.2077	19.281	18.8924	HCA2	4805	0	0	0	0.09	
-4808	O1	SLES	1	-47.817	19.854	18.1856	OC30A	4805	4809	0	0	-0.34	
-4809	C1	SLES	1	-47.2571	18.6464	17.6892	CTL2	4808	4810	4811	4812	-0.18	
-4810	H11	SLES	1	-47.5672	18.3489	16.6487	HAL2	4809	0	0	0	0.09	
-4811	H12	SLES	1	-47.5129	17.7915	18.3645	HAL2	4809	0	0	0	0.09	
-4812	C2	SLES	1	-45.7765	19.0184	17.7556	CTL2	4809	4813	4814	4815	-0.18	
-4813	H21	SLES	1	-45.4892	19.8305	17.0452	HAL2	4812	0	0	0	0.09	
-4814	H22	SLES	1	-45.441	19.2999	18.7834	HAL2	4812	0	0	0	0.09	
-4815	C3	SLES	1	-45.1038	17.7667	17.3594	CTL2	4812	4816	4817	4818	-0.18	
-4816	H31	SLES	1	-45.4889	17.547	16.3265	HAL2	4815	0	0	0	0.09	
-4817	H32	SLES	1	-45.4453	17.0035	18.1123	HAL2	4815	0	0	0	0.09	
-4818	C4	SLES	1	-43.6137	17.6726	17.2978	CTL2	4815	4819	4820	4821	-0.18	
-4819	H41	SLES	1	-43.1898	18.4016	16.5639	HAL2	4818	0	0	0	0.09	
-4820	H42	SLES	1	-43.1516	17.8764	18.2922	HAL2	4818	0	0	0	0.09	
-4821	C5	SLES	1	-43.5095	16.2084	16.8504	CTL2	4818	4822	4823	4824	-0.18	
-4822	H51	SLES	1	-44.0558	16.0529	15.8822	HAL2	4821	0	0	0	0.09	
-4823	H52	SLES	1	-44.0168	15.5345	17.59	HAL2	4821	0	0	0	0.09	
-4824	C6	SLES	1	-42.1609	15.6641	16.6545	CTL2	4821	4825	4826	4827	-0.18	
-4825	H61	SLES	1	-42.1288	15.2766	15.6001	HAL2	4824	0	0	0	0.09	
-4826	H62	SLES	1	-42.0895	14.7569	17.3127	HAL2	4824	0	0	0	0.09	
-4827	C7	SLES	1	-40.9853	16.6133	16.9164	CTL2	4824	4828	4829	4830	-0.18	
-4828	H71	SLES	1	-40.9561	17.4972	16.2364	HAL2	4827	0	0	0	0.09	
-4829	H72	SLES	1	-40.9163	16.9707	17.9701	HAL2	4827	0	0	0	0.09	
-4830	C8	SLES	1	-39.8645	15.6878	16.6085	CTL2	4827	4831	4832	4833	-0.18	
-4831	H81	SLES	1	-40.0128	15.3536	15.5434	HAL2	4830	0	0	0	0.09	
-4832	H82	SLES	1	-39.9731	14.8156	17.3143	HAL2	4830	0	0	0	0.09	
-4833	C9	SLES	1	-38.4532	16.1495	16.717	CTL2	4830	4834	4835	4836	-0.18	
-4834	H91	SLES	1	-38.2725	17.0002	16.0225	HAL2	4833	0	0	0	0.09	
-4835	H92	SLES	1	-38.2333	16.472	17.7595	HAL2	4833	0	0	0	0.09	
-4836	C10	SLES	1	-37.7173	14.8738	16.3126	CTL2	4833	4837	4838	4839	-0.18	
-4837	H10	SLES	1	-38.0365	14.5589	15.2825	HAL2	4836	0	0	0	0.09	
-4838	H10	SLES	1	-37.9974	14.0351	17.0066	HAL2	4836	0	0	0	0.09	
-4839	C11	SLES	1	-36.2267	14.9764	16.3102	CTL2	4836	4840	4841	4842	-0.18	
-4840	H11	SLES	1	-35.9515	15.7945	15.6044	HAL2	4839	0	0	0	0.09	
-4841	H11	SLES	1	-35.9122	15.2681	17.3391	HAL2	4839	0	0	0	0.09	
-4842	C12	SLES	1	-35.6274	13.6321	15.8877	CTL3	4839	4843	4844	4845	-0.27	
-4843	H12	SLES	1	-35.0399	13.7541	14.9571	HAL3	4842	0	0	0	0.09	
-4844	H12	SLES	1	-35.0001	13.2231	16.7037	HAL3	4842	0	0	0	0.09	
-4845	H12	SLES	1	-36.4112	12.8647	15.6728	HAL3	4842	0	0	0	0.09	
-4846	NA	SLES	1	-59.9289	9.37312	20.0271	NA	0	0	0	0	1	
-4847	S	SLES	1	-59.4062	6.83529	18.4586	SL	4848	4849	4850	4851	1.33	
-4848	OS1	SLES	1	-58.0703	7.39001	18.7362	OSL	4847	4852	0	0	-0.28	
-4849	OS2	SLES	1	-59.8095	8.05953	17.8035	O2L	4847	0	0	0	-0.65	
-4850	OS3	SLES	1	-59.7048	6.76912	19.8706	O2L	4847	0	0	0	-0.65	
-4851	OS4	SLES	1	-59.2076	5.63407	17.6973	O2L	4847	0	0	0	-0.65	
-4852	C2	SLES	1	-56.8508	6.86526	18.392	CC32A	4848	4853	4854	4855	-0.11	
-4853	H2A	SLES	1	-56.7595	6.76923	17.2778	HCA2	4852	0	0	0	0.09	
-4854	H2B	SLES	1	-56.6954	5.86313	18.8728	HCA2	4852	0	0	0	0.09	
-4855	C1	SLES	1	-55.8748	7.92292	18.9509	CC32A	4852	4856	4857	4858	-0.01	
-4856	H1B	SLES	1	-56.0619	8.92583	18.4867	HCA2	4855	0	0	0	0.09	
-4857	H1A	SLES	1	-55.9814	8.01618	20.0596	HCA2	4855	0	0	0	0.09	
-4858	O1	SLES	1	-54.5084	7.72871	18.7794	OC30A	4855	4859	0	0	-0.34	
-4859	C2	SLES	1	-54.084	6.57399	18.0785	CC32A	4858	4860	4861	4862	-0.01	
-4860	H2A	SLES	1	-54.5096	6.56885	17.0344	HCA2	4859	0	0	0	0.09	
-4861	H2B	SLES	1	-54.4114	5.64262	18.5971	HCA2	4859	0	0	0	0.09	
-4862	C1	SLES	1	-52.6271	7.15725	18.1697	CC32A	4859	4863	4864	4865	-0.01	
-4863	H1B	SLES	1	-52.5659	7.19262	17.0739	HCA2	4862	0	0	0	0.09	
-4864	H1A	SLES	1	-52.4947	6.21629	18.8173	HCA2	4862	0	0	0	0.09	
-4865	O1	SLES	1	-51.2409	7.21805	18.3855	OC30A	4862	4866	0	0	-0.34	
-4866	C1	SLES	1	-50.4113	6.31016	17.6745	CTL2	4865	4867	4868	4869	-0.18	
-4867	H11	SLES	1	-50.6116	6.21831	16.5705	HAL2	4866	0	0	0	0.09	
-4868	H12	SLES	1	-50.4956	5.28245	18.1094	HAL2	4866	0	0	0	0.09	
-4869	C2	SLES	1	-49.0526	6.95119	17.9534	CTL2	4866	4870	4871	4872	-0.18	
-4870	H21	SLES	1	-48.927	7.95329	17.4773	HAL2	4869	0	0	0	0.09	
-4871	H22	SLES	1	-48.8236	7.03615	19.0437	HAL2	4869	0	0	0	0.09	
-4872	C3	SLES	1	-48.1068	6.00015	17.3392	CTL2	4869	4873	4874	4875	-0.18	
-4873	H31	SLES	1	-48.3976	5.96483	16.254	HAL2	4872	0	0	0	0.09	
-4874	H32	SLES	1	-48.2975	5.02288	17.863	HAL2	4872	0	0	0	0.09	
-4875	C4	SLES	1	-46.6315	6.23281	17.3874	CTL2	4872	4876	4877	4878	-0.18	
-4876	H41	SLES	1	-46.3535	7.19003	16.8813	HAL2	4875	0	0	0	0.09	
-4877	H42	SLES	1	-46.2608	6.27822	18.4383	HAL2	4875	0	0	0	0.09	
-4878	C5	SLES	1	-46.1911	4.97584	16.6251	CTL2	4875	4879	4880	4881	-0.18	
-4879	H51	SLES	1	-46.6554	4.95237	15.6034	HAL2	4878	0	0	0	0.09	
-4880	H52	SLES	1	-46.5627	4.05229	17.1422	HAL2	4878	0	0	0	0.09	
-4881	C6	SLES	1	-44.7496	4.78548	16.4269	CTL2	4878	4882	4883	4884	-0.18	
-4882	H61	SLES	1	-44.596	4.68229	15.3185	HAL2	4881	0	0	0	0.09	
-4883	H62	SLES	1	-44.5028	3.77978	16.8616	HAL2	4881	0	0	0	0.09	
-4884	C7	SLES	1	-43.8224	5.86301	17.002	CTL2	4881	4885	4886	4887	-0.18	
-4885	H71	SLES	1	-43.9652	6.87268	16.5494	HAL2	4884	0	0	0	0.09	
-4886	H72	SLES	1	-43.8708	5.95869	18.1116	HAL2	4884	0	0	0	0.09	
-4887	C8	SLES	1	-42.5149	5.29181	16.5876	CTL2	4884	4888	4889	4890	-0.18	
-4888	H81	SLES	1	-42.5484	5.20468	15.4653	HAL2	4887	0	0	0	0.09	
-4889	H82	SLES	1	-42.4529	4.27072	17.0608	HAL2	4887	0	0	0	0.09	
-4890	C9	SLES	1	-41.245	5.99344	16.922	CTL2	4887	4891	4892	4893	-0.18	
-4891	H91	SLES	1	-41.2324	7.00634	16.4609	HAL2	4890	0	0	0	0.09	
-4892	H92	SLES	1	-41.1383	6.08985	18.0258	HAL2	4890	0	0	0	0.09	
-4893	C10	SLES	1	-40.232	5.03467	16.2998	CTL2	4890	4894	4895	4896	-0.18	
-4894	H10	SLES	1	-40.4376	4.92197	15.201	HAL2	4893	0	0	0	0.09	
-4895	H10	SLES	1	-40.3441	4.01284	16.7545	HAL2	4893	0	0	0	0.09	
-4896	C11	SLES	1	-38.8016	5.43934	16.4508	CTL2	4893	4897	4898	4899	-0.18	
-4897	H11	SLES	1	-38.6893	6.4435	15.9795	HAL2	4896	0	0	0	0.09	
-4898	H11	SLES	1	-38.5954	5.52931	17.5425	HAL2	4896	0	0	0	0.09	
-4899	C12	SLES	1	-37.906	4.39185	15.7833	CTL3	4896	4900	4901	4902	-0.27	
-4900	H12	SLES	1	-37.3278	4.85562	14.9606	HAL3	4899	0	0	0	0.09	
-4901	H12	SLES	1	-37.2329	3.93426	16.5342	HAL3	4899	0	0	0	0.09	
-4902	H12	SLES	1	-38.4931	3.5558	15.3297	HAL3	4899	0	0	0	0.09	
-4903	NA	SLES	1	-60.2845	-6.12967	20.4358	NA	0	0	0	0	1	
-4904	S	SLES	1	-59.2748	-8.03381	18.3076	SL	4905	4906	4907	4908	1.33	
-4905	OS1	SLES	1	-58.081	-7.29233	18.7485	OSL	4904	4909	0	0	-0.28	
-4906	OS2	SLES	1	-59.9474	-6.80143	17.962	O2L	4904	0	0	0	-0.65	
-4907	OS3	SLES	1	-59.5144	-8.50619	19.6517	O2L	4904	0	0	0	-0.65	
-4908	OS4	SLES	1	-58.8451	-8.9409	17.2807	O2L	4904	0	0	0	-0.65	
-4909	C2	SLES	1	-56.7873	-7.44413	18.319	CC32A	4905	4910	4911	4912	-0.11	
-4910	H2A	SLES	1	-56.7076	-7.24236	17.2182	HCA2	4909	0	0	0	0.09	
-4911	H2B	SLES	1	-56.4089	-8.47659	18.5435	HCA2	4909	0	0	0	0.09	
-4912	C1	SLES	1	-56.0447	-6.37273	19.1462	CC32A	4909	4913	4914	4915	-0.01	
-4913	H1B	SLES	1	-56.4538	-5.35033	18.9372	HCA2	4912	0	0	0	0.09	
-4914	H1A	SLES	1	-56.139	-6.57903	20.2407	HCA2	4912	0	0	0	0.09	
-4915	O1	SLES	1	-54.6735	-6.22294	18.9691	OC30A	4912	4916	0	0	-0.34	
-4916	C2	SLES	1	-54.0315	-7.05266	18.0182	CC32A	4915	4917	4918	4919	-0.01	
-4917	H2A	SLES	1	-54.4742	-6.89237	16.9936	HCA2	4916	0	0	0	0.09	
-4918	H2B	SLES	1	-54.1387	-8.13044	18.2837	HCA2	4916	0	0	0	0.09	
-4919	C1	SLES	1	-52.7307	-6.21269	18.2887	CC32A	4916	4920	4921	4922	-0.01	
-4920	H1B	SLES	1	-52.7078	-5.89757	17.2371	HCA2	4919	0	0	0	0.09	
-4921	H1A	SLES	1	-52.3833	-7.2331	18.6892	HCA2	4919	0	0	0	0.09	
-4922	O1	SLES	1	-51.384	-5.91243	18.5499	OC30A	4919	4923	0	0	-0.34	
-4923	C1	SLES	1	-50.3993	-6.41985	17.6607	CTL2	4922	4924	4925	4926	-0.18	
-4924	H11	SLES	1	-50.605	-6.27882	16.5629	HAL2	4923	0	0	0	0.09	
-4925	H12	SLES	1	-50.2507	-7.51639	17.828	HAL2	4923	0	0	0	0.09	
-4926	C2	SLES	1	-49.2015	-5.59219	18.1246	CTL2	4923	4927	4928	4929	-0.18	
-4927	H21	SLES	1	-49.3054	-4.50098	17.9123	HAL2	4926	0	0	0	0.09	
-4928	H22	SLES	1	-48.9667	-5.73027	19.2082	HAL2	4926	0	0	0	0.09	
-4929	C3	SLES	1	-48.0915	-6.13936	17.3217	CTL2	4926	4930	4931	4932	-0.18	
-4930	H31	SLES	1	-48.3972	-5.96878	16.2535	HAL2	4929	0	0	0	0.09	
-4931	H32	SLES	1	-48.0553	-7.23267	17.5846	HAL2	4929	0	0	0	0.09	
-4932	C4	SLES	1	-46.699	-5.6165	17.4651	CTL2	4929	4933	4934	4935	-0.18	
-4933	H41	SLES	1	-46.6453	-4.52785	17.2166	HAL2	4932	0	0	0	0.09	
-4934	H42	SLES	1	-46.3185	-5.75209	18.5046	HAL2	4932	0	0	0	0.09	
-4935	C5	SLES	1	-46.0213	-6.52446	16.43	CTL2	4932	4936	4937	4938	-0.18	
-4936	H51	SLES	1	-46.4973	-6.39524	15.4216	HAL2	4935	0	0	0	0.09	
-4937	H52	SLES	1	-46.1734	-7.6039	16.6947	HAL2	4935	0	0	0	0.09	
-4938	C6	SLES	1	-44.5783	-6.34849	16.23	CTL2	4935	4939	4940	4941	-0.18	
-4939	H61	SLES	1	-44.436	-6.1416	15.1346	HAL2	4938	0	0	0	0.09	
-4940	H62	SLES	1	-44.1111	-7.35353	16.4114	HAL2	4938	0	0	0	0.09	
-4941	C7	SLES	1	-43.8871	-5.27263	17.0763	CTL2	4938	4942	4943	4944	-0.18	
-4942	H71	SLES	1	-44.2541	-4.23727	16.8815	HAL2	4941	0	0	0	0.09	
-4943	H72	SLES	1	-43.925	-5.46447	18.1738	HAL2	4941	0	0	0	0.09	
-4944	C8	SLES	1	-42.4995	-5.4324	16.5698	CTL2	4941	4945	4946	4947	-0.18	
-4945	H81	SLES	1	-42.5438	-5.24686	15.46	HAL2	4944	0	0	0	0.09	
-4946	H82	SLES	1	-42.2085	-6.50087	16.7798	HAL2	4944	0	0	0	0.09	
-4947	C9	SLES	1	-41.3999	-4.57996	17.1	CTL2	4944	4948	4949	4950	-0.18	
-4948	H91	SLES	1	-41.616	-3.50632	16.9018	HAL2	4947	0	0	0	0.09	
-4949	H92	SLES	1	-41.2866	-4.73661	18.1963	HAL2	4947	0	0	0	0.09	
-4950	C10	SLES	1	-40.2228	-5.11815	16.2892	CTL2	4947	4951	4952	4953	-0.18	
-4951	H10	SLES	1	-40.4292	-4.99926	15.1913	HAL2	4950	0	0	0	0.09	
-4952	H10	SLES	1	-40.1022	-6.21991	16.4764	HAL2	4950	0	0	0	0.09	
-4953	C11	SLES	1	-38.9081	-4.46738	16.5732	CTL2	4950	4954	4955	4956	-0.18	
-4954	H11	SLES	1	-39.0253	-3.37823	16.3657	HAL2	4953	0	0	0	0.09	
-4955	H11	SLES	1	-38.6966	-4.60592	17.6588	HAL2	4953	0	0	0	0.09	
-4956	C12	SLES	1	-37.828	-5.1034	15.6936	CTL3	4953	4957	4958	4959	-0.27	
-4957	H12	SLES	1	-37.3844	-4.33983	15.0256	HAL3	4956	0	0	0	0.09	
-4958	H12	SLES	1	-37.0528	-5.57668	16.3273	HAL3	4956	0	0	0	0.09	
-4959	H12	SLES	1	-38.2353	-5.90813	15.0334	HAL3	4956	0	0	0	0.09	
-4960	NA	SLES	1	-56.6775	-21.2917	20.7542	NA	0	0	0	0	1	
-4961	S	SLES	1	-55.4866	-22.3823	18.1916	SL	4962	4963	4964	4965	1.33	
-4962	OS1	SLES	1	-54.4373	-21.5178	18.7582	OSL	4961	4966	0	0	-0.28	
-4963	OS2	SLES	1	-56.4259	-21.2831	18.181	O2L	4961	0	0	0	-0.65	
-4964	OS3	SLES	1	-55.5059	-23.1929	19.3873	O2L	4961	0	0	0	-0.65	
-4965	OS4	SLES	1	-54.9704	-22.9101	16.96	O2L	4961	0	0	0	-0.65	
-4966	C2	SLES	1	-53.1824	-21.2771	18.2598	CC32A	4962	4967	4968	4969	-0.11	
-4967	H2A	SLES	1	-53.242	-20.8143	17.2394	HCA2	4966	0	0	0	0.09	
-4968	H2B	SLES	1	-52.5815	-22.2237	18.212	HCA2	4966	0	0	0	0.09	
-4969	C1	SLES	1	-52.6071	-20.2887	19.297	CC32A	4966	4970	4971	4972	-0.01	
-4970	H1B	SLES	1	-53.2345	-19.3619	19.3583	HCA2	4969	0	0	0	0.09	
-4971	H1A	SLES	1	-52.5613	-20.7576	20.3106	HCA2	4969	0	0	0	0.09	
-4972	O1	SLES	1	-51.3168	-19.8032	19.114	OC30A	4969	4973	0	0	-0.34	
-4973	C2	SLES	1	-50.603	-20.2284	17.9675	CC32A	4972	4974	4975	4976	-0.01	
-4974	H2A	SLES	1	-51.1566	-19.9378	17.0291	HCA2	4973	0	0	0	0.09	
-4975	H2B	SLES	1	-50.4625	-21.3347	17.9654	HCA2	4973	0	0	0	0.09	
-4976	C1	SLES	1	-49.4844	-19.2077	18.3892	CC32A	4973	4977	4978	4979	-0.01	
-4977	H1B	SLES	1	-49.6185	-18.6614	17.4462	HCA2	4976	0	0	0	0.09	
-4978	H1A	SLES	1	-48.9009	-20.1905	18.5162	HCA2	4976	0	0	0	0.09	
-4979	O1	SLES	1	-48.2109	-18.6862	18.6687	OC30A	4976	4980	0	0	-0.34	
-4980	C1	SLES	1	-47.224	-18.7446	17.6486	CTL2	4979	4981	4982	4983	-0.18	
-4981	H11	SLES	1	-47.549	-18.403	16.6263	HAL2	4980	0	0	0	0.09	
-4982	H12	SLES	1	-46.8389	-19.7895	17.5379	HAL2	4980	0	0	0	0.09	
-4983	C2	SLES	1	-46.1865	-17.8029	18.2584	CTL2	4980	4984	4985	4986	-0.18	
-4984	H21	SLES	1	-46.5308	-16.7427	18.3226	HAL2	4983	0	0	0	0.09	
-4985	H22	SLES	1	-45.835	-18.132	19.2666	HAL2	4983	0	0	0	0.09	
-4986	C3	SLES	1	-45.0618	-17.8912	17.3079	CTL2	4983	4987	4988	4989	-0.18	
-4987	H31	SLES	1	-45.4877	-17.5505	16.3251	HAL2	4986	0	0	0	0.09	
-4988	H32	SLES	1	-44.7786	-18.9799	17.2946	HAL2	4986	0	0	0	0.09	
-4989	C4	SLES	1	-43.7997	-17.1214	17.5259	CTL2	4986	4990	4991	4992	-0.18	
-4990	H41	SLES	1	-43.993	-16.0206	17.549	HAL2	4989	0	0	0	0.09	
-4991	H42	SLES	1	-43.3104	-17.4058	18.4869	HAL2	4989	0	0	0	0.09	
-4992	C5	SLES	1	-43.0423	-17.5934	16.2774	CTL2	4989	4993	4994	4995	-0.18	
-4993	H51	SLES	1	-43.6205	-17.3433	15.3483	HAL2	4992	0	0	0	0.09	
-4994	H52	SLES	1	-42.9452	-18.711	16.2758	HAL2	4992	0	0	0	0.09	
-4995	C6	SLES	1	-41.6893	-17.062	16.0761	CTL2	4992	4996	4997	4998	-0.18	
-4996	H61	SLES	1	-41.6885	-16.5818	15.0601	HAL2	4995	0	0	0	0.09	
-4997	H62	SLES	1	-41.0113	-17.9532	15.9903	HAL2	4995	0	0	0	0.09	
-4998	C7	SLES	1	-41.1635	-16.0852	17.1349	CTL2	4995	4999	5000	5001	-0.18	
-4999	H71	SLES	1	-41.7512	-15.1401	17.2115	HAL2	4998	0	0	0	0.09	
-5000	H72	SLES	1	-41.0654	-16.5286	18.1529	HAL2	4998	0	0	0	0.09	
-5001	C8	SLES	1	-39.8221	-15.8135	16.5565	CTL2	4998	5002	5003	5004	-0.18	
-5002	H81	SLES	1	-40	-15.3914	15.5278	HAL2	5001	0	0	0	0.09	
-5003	H82	SLES	1	-39.3002	-16.8103	16.489	HAL2	5001	0	0	0	0.09	
-5004	C9	SLES	1	-38.8797	-14.8853	17.24	CTL2	5001	5005	5006	5007	-0.18	
-5005	H91	SLES	1	-39.3285	-13.8698	17.3176	HAL2	5004	0	0	0	0.09	
-5006	H92	SLES	1	-38.6416	-15.2617	18.2602	HAL2	5004	0	0	0	0.09	
-5007	C10	SLES	1	-37.6921	-14.9484	16.2817	CTL2	5004	5008	5009	5010	-0.18	
-5008	H10	SLES	1	-38.0132	-14.628	15.2539	HAL2	5007	0	0	0	0.09	
-5009	H10	SLES	1	-37.3315	-16.0091	16.19	HAL2	5007	0	0	0	0.09	
-5010	C11	SLES	1	-36.5199	-14.1071	16.6699	CTL2	5007	5011	5012	5013	-0.18	
-5011	H11	SLES	1	-36.8763	-13.0529	16.7387	HAL2	5010	0	0	0	0.09	
-5012	H11	SLES	1	-36.1908	-14.4422	17.6807	HAL2	5010	0	0	0	0.09	
-5013	C12	SLES	1	-35.4127	-14.2685	15.6244	CTL3	5010	5014	5015	5016	-0.27	
-5014	H12	SLES	1	-35.1955	-13.2928	15.1479	HAL3	5013	0	0	0	0.09	
-5015	H12	SLES	1	-34.5046	-14.6921	16.096	HAL3	5013	0	0	0	0.09	
-5016	H12	SLES	1	-35.7015	-14.9686	14.8024	HAL3	5013	0	0	0	0.09	
-5017	NA	SLES	1	-49.3014	-35.0849	20.9623	NA	0	0	0	0	1	
-5018	S	SLES	1	-48.2914	-35.3373	18.118	SL	5019	5020	5021	5022	1.33	
-5019	OS1	SLES	1	-47.3669	-34.3905	18.7647	OSL	5018	5023	0	0	-0.28	
-5020	OS2	SLES	1	-49.4236	-34.5003	18.4468	O2L	5018	0	0	0	-0.65	
-5021	OS3	SLES	1	-47.9784	-36.3555	19.0939	O2L	5018	0	0	0	-0.65	
-5022	OS4	SLES	1	-47.8597	-35.4748	16.7554	O2L	5018	0	0	0	-0.65	
-5023	C2	SLES	1	-46.2692	-33.7764	18.2179	CC32A	5019	5024	5025	5026	-0.11	
-5024	H2A	SLES	1	-46.5642	-33.1429	17.34	HCA2	5023	0	0	0	0.09	
-5025	H2B	SLES	1	-45.5038	-34.5329	17.8992	HCA2	5023	0	0	0	0.09	
-5026	C1	SLES	1	-45.7625	-32.9138	19.3938	CC32A	5023	5027	5028	5029	-0.01	
-5027	H1B	SLES	1	-46.5476	-32.185	19.7235	HCA2	5026	0	0	0	0.09	
-5028	H1A	SLES	1	-45.4807	-33.5548	20.2649	HCA2	5026	0	0	0	0.09	
-5029	O1	SLES	1	-44.6347	-32.1223	19.205	OC30A	5026	5030	0	0	-0.34	
-5030	C2	SLES	1	-44.02	-32.1344	17.9296	CC32A	5029	5031	5032	5033	-0.01	
-5031	H2A	SLES	1	-44.7478	-31.7934	17.1387	HCA2	5030	0	0	0	0.09	
-5032	H2B	SLES	1	-43.6626	-33.1564	17.6623	HCA2	5030	0	0	0	0.09	
-5033	C1	SLES	1	-43.0802	-30.9938	18.465	CC32A	5030	5034	5035	5036	-0.01	
-5034	H1B	SLES	1	-43.4532	-30.3132	17.6882	HCA2	5033	0	0	0	0.09	
-5035	H1A	SLES	1	-42.2998	-31.8238	18.309	HCA2	5033	0	0	0	0.09	
-5036	O1	SLES	1	-41.9104	-30.265	18.7342	OC30A	5033	5037	0	0	-0.34	
-5037	C1	SLES	1	-41.0865	-29.8914	17.639	CTL2	5036	5038	5039	5040	-0.18	
-5038	H11	SLES	1	-41.6147	-29.4331	16.7568	HAL2	5037	0	0	0	0.09	
-5039	H12	SLES	1	-40.5196	-30.7776	17.2573	HAL2	5037	0	0	0	0.09	
-5040	C2	SLES	1	-40.1829	-28.8824	18.3464	CTL2	5037	5041	5042	5043	-0.18	
-5041	H21	SLES	1	-40.7199	-27.963	18.6826	HAL2	5040	0	0	0	0.09	
-5042	H22	SLES	1	-39.6334	-29.3199	19.2153	HAL2	5040	0	0	0	0.09	
-5043	C3	SLES	1	-39.2095	-28.5201	17.2988	CTL2	5040	5044	5045	5046	-0.18	
-5044	H31	SLES	1	-39.8298	-28.0934	16.4642	HAL2	5043	0	0	0	0.09	
-5045	H32	SLES	1	-38.7188	-29.4907	17.0111	HAL2	5043	0	0	0	0.09	
-5046	C4	SLES	1	-38.1092	-27.5449	17.566	CTL2	5043	5047	5048	5049	-0.18	
-5047	H41	SLES	1	-38.5137	-26.5443	17.8574	HAL2	5046	0	0	0	0.09	
-5048	H42	SLES	1	-37.4417	-27.8992	18.3863	HAL2	5046	0	0	0	0.09	
-5049	C5	SLES	1	-37.4572	-27.5713	16.177	CTL2	5046	5050	5051	5052	-0.18	
-5050	H51	SLES	1	-38.1994	-27.2763	15.3882	HAL2	5049	0	0	0	0.09	
-5051	H52	SLES	1	-37.1396	-28.6139	15.9117	HAL2	5049	0	0	0	0.09	
-5052	C6	SLES	1	-36.2805	-26.7181	15.975	CTL2	5049	5053	5054	5055	-0.18	
-5053	H61	SLES	1	-36.5198	-26.0552	15.0997	HAL2	5052	0	0	0	0.09	
-5054	H62	SLES	1	-35.4569	-27.3965	15.6247	HAL2	5052	0	0	0	0.09	
-5055	C7	SLES	1	-35.8163	-25.882	17.1738	CTL2	5052	5056	5057	5058	-0.18	
-5056	H71	SLES	1	-36.5645	-25.1298	17.5189	HAL2	5055	0	0	0	0.09	
-5057	H72	SLES	1	-35.4883	-26.4878	18.0502	HAL2	5055	0	0	0	0.09	
-5058	C8	SLES	1	-34.6523	-25.2027	16.5484	CTL2	5055	5059	5060	5061	-0.18	
-5059	H81	SLES	1	-35.055	-24.6331	15.6644	HAL2	5058	0	0	0	0.09	
-5060	H82	SLES	1	-33.9563	-26.0208	16.2066	HAL2	5058	0	0	0	0.09	
-5061	C9	SLES	1	-33.8277	-24.243	17.333	CTL2	5058	5062	5063	5064	-0.18	
-5062	H91	SLES	1	-34.4552	-23.3925	17.6819	HAL2	5061	0	0	0	0.09	
-5063	H92	SLES	1	-33.377	-24.7537	18.2135	HAL2	5061	0	0	0	0.09	
-5064	C10	SLES	1	-32.7994	-23.8409	16.2777	CTL2	5061	5065	5066	5067	-0.18	
-5065	H10	SLES	1	-33.3205	-23.4007	15.385	HAL2	5064	0	0	0	0.09	
-5066	H10	SLES	1	-32.2505	-24.7515	15.9131	HAL2	5064	0	0	0	0.09	
-5067	C11	SLES	1	-31.7766	-22.8522	16.7347	CTL2	5064	5068	5069	5070	-0.18	
-5068	H11	SLES	1	-32.3234	-21.9423	17.0751	HAL2	5067	0	0	0	0.09	
-5069	H11	SLES	1	-31.2472	-23.3011	17.6069	HAL2	5067	0	0	0	0.09	
-5070	C12	SLES	1	-30.8189	-22.5444	15.5801	CTL3	5067	5071	5072	5073	-0.27	
-5071	H12	SLES	1	-30.8713	-21.4694	15.32	HAL3	5070	0	0	0	0.09	
-5072	H12	SLES	1	-29.7869	-22.8377	15.8547	HAL3	5070	0	0	0	0.09	
-5073	H12	SLES	1	-31.0751	-23.111	14.6512	HAL3	5070	0	0	0	0.09	
-5074	NA	SLES	1	-38.6264	-46.5604	21.0472	NA	0	0	0	0	1	
-5075	S	SLES	1	-38.1377	-46.1159	18.0913	SL	5076	5077	5078	5079	1.33	
-5076	OS1	SLES	1	-37.3144	-45.099	18.7676	OSL	5075	5080	0	0	-0.28	
-5077	OS2	SLES	1	-39.3311	-45.6239	18.7427	O2L	5075	0	0	0	-0.65	
-5078	OS3	SLES	1	-37.4523	-47.1785	18.79	O2L	5075	0	0	0	-0.65	
-5079	OS4	SLES	1	-37.9505	-45.9308	16.6797	O2L	5075	0	0	0	-0.65	
-5080	C2	SLES	1	-36.4822	-44.1707	18.196	CC32A	5076	5081	5082	5083	-0.11	
-5081	H2A	SLES	1	-37.0559	-43.4891	17.5138	HCA2	5080	0	0	0	0.09	
-5082	H2B	SLES	1	-35.6559	-44.6709	17.6246	HCA2	5080	0	0	0	0.09	
-5083	C1	SLES	1	-35.945	-43.415	19.4305	CC32A	5080	5084	5085	5086	-0.01	
-5084	H1B	SLES	1	-36.7829	-42.9476	20.0101	HCA2	5083	0	0	0	0.09	
-5085	H1A	SLES	1	-35.3838	-44.1057	20.1066	HCA2	5083	0	0	0	0.09	
-5086	O1	SLES	1	-35.0519	-42.3668	19.2364	OC30A	5083	5087	0	0	-0.34	
-5087	C2	SLES	1	-34.697	-42.0334	17.9068	CC32A	5086	5088	5089	5090	-0.01	
-5088	H2A	SLES	1	-35.613	-41.7456	17.3155	HCA2	5087	0	0	0	0.09	
-5089	H2B	SLES	1	-34.201	-42.8902	17.3935	HCA2	5087	0	0	0	0.09	
-5090	C1	SLES	1	-33.9182	-40.8091	18.5112	CC32A	5087	5091	5092	5093	-0.01	
-5091	H1B	SLES	1	-34.5573	-40.1163	17.9479	HCA2	5090	0	0	0	0.09	
-5092	H1A	SLES	1	-33.0323	-41.4026	18.0808	HCA2	5090	0	0	0	0.09	
-5093	O1	SLES	1	-32.8865	-39.885	18.7423	OC30A	5090	5094	0	0	-0.34	
-5094	C1	SLES	1	-32.3729	-39.1622	17.6325	CTL2	5093	5095	5096	5097	-0.18	
-5095	H11	SLES	1	-33.1371	-38.7015	16.9462	HAL2	5094	0	0	0	0.09	
-5096	H12	SLES	1	-31.7236	-39.8223	17.0039	HAL2	5094	0	0	0	0.09	
-5097	C2	SLES	1	-31.5705	-38.1001	18.383	CTL2	5094	5098	5099	5100	-0.18	
-5098	H21	SLES	1	-32.2061	-37.394	18.9696	HAL2	5097	0	0	0	0.09	
-5099	H22	SLES	1	-30.7925	-38.5338	19.0574	HAL2	5097	0	0	0	0.09	
-5100	C3	SLES	1	-30.902	-37.3617	17.2949	CTL2	5097	5101	5102	5103	-0.18	
-5101	H31	SLES	1	-31.7396	-36.9601	16.662	HAL2	5100	0	0	0	0.09	
-5102	H32	SLES	1	-30.2917	-38.1354	16.752	HAL2	5100	0	0	0	0.09	
-5103	C4	SLES	1	-29.9862	-36.2165	17.5829	CTL2	5100	5104	5105	5106	-0.18	
-5104	H41	SLES	1	-30.5188	-35.395	18.1225	HAL2	5103	0	0	0	0.09	
-5105	H42	SLES	1	-29.1202	-36.5355	18.2092	HAL2	5103	0	0	0	0.09	
-5106	C5	SLES	1	-29.614	-35.8701	16.135	CTL2	5103	5107	5108	5109	-0.18	
-5107	H51	SLES	1	-30.5342	-35.6301	15.5387	HAL2	5106	0	0	0	0.09	
-5108	H52	SLES	1	-29.1518	-36.7561	15.6253	HAL2	5106	0	0	0	0.09	
-5109	C6	SLES	1	-28.6885	-34.7494	15.933	CTL2	5106	5110	5111	5112	-0.18	
-5110	H61	SLES	1	-29.2139	-34.0273	15.2508	HAL2	5109	0	0	0	0.09	
-5111	H62	SLES	1	-27.8274	-35.1563	15.3378	HAL2	5109	0	0	0	0.09	
-5112	C7	SLES	1	-28.1827	-34.0325	17.1907	CTL2	5109	5113	5114	5115	-0.18	
-5113	H71	SLES	1	-28.9867	-33.5368	17.7844	HAL2	5112	0	0	0	0.09	
-5114	H72	SLES	1	-27.583	-34.6798	17.8721	HAL2	5112	0	0	0	0.09	
-5115	C8	SLES	1	-27.3143	-33.0139	16.546	CTL2	5112	5116	5117	5118	-0.18	
-5116	H81	SLES	1	-27.9801	-32.4173	15.8613	HAL2	5115	0	0	0	0.09	
-5117	H82	SLES	1	-26.5468	-33.5855	15.9504	HAL2	5115	0	0	0	0.09	
-5118	C9	SLES	1	-26.5638	-32.0295	17.3734	CTL2	5115	5119	5120	5121	-0.18	
-5119	H91	SLES	1	-27.2704	-31.4123	17.9721	HAL2	5118	0	0	0	0.09	
-5120	H92	SLES	1	-25.8641	-32.558	18.0592	HAL2	5118	0	0	0	0.09	
-5121	C10	SLES	1	-25.8517	-31.2391	16.2775	CTL2	5118	5122	5123	5124	-0.18	
-5122	H10	SLES	1	-26.6075	-30.7925	15.5763	HAL2	5121	0	0	0	0.09	
-5123	H10	SLES	1	-25.2117	-31.9295	15.6633	HAL2	5121	0	0	0	0.09	
-5124	C11	SLES	1	-24.9776	-30.1291	16.7635	CTL2	5121	5125	5126	5127	-0.18	
-5125	H11	SLES	1	-25.62	-29.435	17.3539	HAL2	5124	0	0	0	0.09	
-5126	H11	SLES	1	-24.216	-30.5789	17.4419	HAL2	5124	0	0	0	0.09	
-5127	C12	SLES	1	-24.3334	-29.4294	15.5633	CTL3	5124	5128	5129	5130	-0.27	
-5128	H12	SLES	1	-24.6453	-28.3675	15.5309	HAL3	5127	0	0	0	0.09	
-5129	H12	SLES	1	-23.231	-29.5191	15.6187	HAL3	5127	0	0	0	0.09	
-5130	H12	SLES	1	-24.6419	-29.8832	14.5895	HAL3	5127	0	0	0	0.09	
-5131	NA	SLES	1	-25.3692	-54.9286	21.0035	NA	0	0	0	0	1	
-5132	S	SLES	1	-25.6457	-54.0661	18.1132	SL	5133	5134	5135	5136	1.33	
-5133	OS1	SLES	1	-24.9127	-52.9685	18.7667	OSL	5132	5137	0	0	-0.28	
-5134	OS2	SLES	1	-26.7387	-53.932	19.0501	O2L	5132	0	0	0	-0.65	
-5135	OS3	SLES	1	-24.6249	-55.0147	18.4947	O2L	5132	0	0	0	-0.65	
-5136	OS4	SLES	1	-25.8163	-53.6911	16.7376	O2L	5132	0	0	0	-0.65	
-5137	C2	SLES	1	-24.4298	-51.8188	18.1955	CC32A	5133	5138	5139	5140	-0.11	
-5138	H2A	SLES	1	-25.2643	-51.2155	17.7498	HCA2	5137	0	0	0	0.09	
-5139	H2B	SLES	1	-23.6678	-52.0531	17.4056	HCA2	5137	0	0	0	0.09	
-5140	C1	SLES	1	-23.7944	-51.0996	19.4048	CC32A	5137	5141	5142	5143	-0.01	
-5141	H1B	SLES	1	-24.559	-50.9006	20.1998	HCA2	5140	0	0	0	0.09	
-5142	H1A	SLES	1	-22.9713	-51.714	19.8456	HCA2	5140	0	0	0	0.09	
-5143	O1	SLES	1	-23.1937	-49.8611	19.2062	OC30A	5140	5144	0	0	-0.34	
-5144	C2	SLES	1	-23.2156	-49.3134	17.9007	CC32A	5143	5145	5146	5147	-0.01	
-5145	H2A	SLES	1	-24.2783	-49.1788	17.5483	HCA2	5144	0	0	0	0.09	
-5146	H2B	SLES	1	-22.6851	-49.974	17.1757	HCA2	5144	0	0	0	0.09	
-5147	C1	SLES	1	-22.5824	-48.0172	18.525	CC32A	5144	5148	5149	5150	-0.01	
-5148	H1B	SLES	1	-23.4552	-47.4308	18.2088	HCA2	5147	0	0	0	0.09	
-5149	H1A	SLES	1	-21.7137	-48.3435	17.8459	HCA2	5147	0	0	0	0.09	
-5150	O1	SLES	1	-21.7305	-46.9136	18.6927	OC30A	5147	5151	0	0	-0.34	
-5151	C1	SLES	1	-21.63	-45.9768	17.6295	CTL2	5150	5152	5153	5154	-0.18	
-5152	H11	SLES	1	-22.6032	-45.63	17.1825	HAL2	5151	0	0	0	0.09	
-5153	H12	SLES	1	-21.0177	-46.3998	16.7937	HAL2	5151	0	0	0	0.09	
-5154	C2	SLES	1	-20.9096	-44.8481	18.3659	CTL2	5151	5155	5156	5157	-0.18	
-5155	H21	SLES	1	-21.5272	-44.373	19.1656	HAL2	5154	0	0	0	0.09	
-5156	H22	SLES	1	-19.9311	-45.1643	18.8028	HAL2	5154	0	0	0	0.09	
-5157	C3	SLES	1	-20.6594	-43.8634	17.2964	CTL2	5154	5158	5159	5160	-0.18	
-5158	H31	SLES	1	-21.6792	-43.5963	16.9063	HAL2	5157	0	0	0	0.09	
-5159	H32	SLES	1	-20.0428	-44.4145	16.5336	HAL2	5157	0	0	0	0.09	
-5160	C4	SLES	1	-19.9497	-42.5783	17.5756	CTL2	5157	5161	5162	5163	-0.18	
-5161	H41	SLES	1	-20.5025	-41.963	18.3276	HAL2	5160	0	0	0	0.09	
-5162	H42	SLES	1	-18.9208	-42.7583	17.9666	HAL2	5160	0	0	0	0.09	
-5163	C5	SLES	1	-19.9839	-42.0011	16.1541	CTL2	5160	5164	5165	5166	-0.18	
-5164	H51	SLES	1	-21.0422	-41.9132	15.7904	HAL2	5163	0	0	0	0.09	
-5165	H52	SLES	1	-19.4789	-42.6982	15.4347	HAL2	5163	0	0	0	0.09	
-5166	C6	SLES	1	-19.3685	-40.6843	15.9527	CTL2	5163	5167	5168	5169	-0.18	
-5167	H61	SLES	1	-20.165	-40.0308	15.504	HAL2	5166	0	0	0	0.09	
-5168	H62	SLES	1	-18.5972	-40.8177	15.1474	HAL2	5166	0	0	0	0.09	
-5169	C7	SLES	1	-18.7501	-40.0123	17.1846	CTL2	5166	5170	5171	5172	-0.18	
-5170	H71	SLES	1	-19.485	-39.7797	17.9911	HAL2	5169	0	0	0	0.09	
-5171	H72	SLES	1	-17.8978	-40.5764	17.6297	HAL2	5169	0	0	0	0.09	
-5172	C8	SLES	1	-18.2669	-38.7591	16.5495	CTL2	5169	5173	5174	5175	-0.18	
-5173	H81	SLES	1	-19.173	-38.2586	16.106	HAL2	5172	0	0	0	0.09	
-5174	H82	SLES	1	-17.5522	-39.0731	15.7364	HAL2	5172	0	0	0	0.09	
-5175	C9	SLES	1	-17.5635	-37.7258	17.3584	CTL2	5172	5176	5177	5178	-0.18	
-5176	H91	SLES	1	-18.2285	-37.3542	18.1698	HAL2	5175	0	0	0	0.09	
-5177	H92	SLES	1	-16.6384	-38.1528	17.8069	HAL2	5175	0	0	0	0.09	
-5178	C10	SLES	1	-17.2839	-36.68	16.281	CTL2	5175	5179	5180	5181	-0.18	
-5179	H10	SLES	1	-18.2495	-36.3433	15.8158	HAL2	5178	0	0	0	0.09	
-5180	H10	SLES	1	-16.6713	-37.1359	15.4562	HAL2	5178	0	0	0	0.09	
-5181	C11	SLES	1	-16.563	-35.46	16.7547	CTL2	5178	5182	5183	5184	-0.18	
-5182	H11	SLES	1	-17.184	-34.9984	17.5574	HAL2	5181	0	0	0	0.09	
-5183	H11	SLES	1	-15.5962	-35.7959	17.1961	HAL2	5181	0	0	0	0.09	
-5184	C12	SLES	1	-16.3533	-34.5061	15.5753	CTL3	5181	5185	5186	5187	-0.27	
-5185	H12	SLES	1	-16.8698	-33.5457	15.7675	HAL3	5184	0	0	0	0.09	
-5186	H12	SLES	1	-15.2708	-34.3484	15.4028	HAL3	5184	0	0	0	0.09	
-5187	H12	SLES	1	-16.7729	-34.9095	14.621	HAL3	5184	0	0	0	0.09	
-5188	NA	SLES	1	-10.4359	-59.6256	20.8339	NA	0	0	0	0	1	
-5189	S	SLES	1	-11.5721	-58.7022	18.1823	SL	5190	5191	5192	5193	1.33	
-5190	OS1	SLES	1	-10.9431	-57.5032	18.7621	OSL	5189	5194	0	0	-0.28	
-5191	OS2	SLES	1	-12.4103	-58.8616	19.3497	O2L	5189	0	0	0	-0.65	
-5192	OS3	SLES	1	-10.3179	-59.4179	18.2265	O2L	5189	0	0	0	-0.65	
-5193	OS4	SLES	1	-12.1427	-58.3059	16.9256	O2L	5189	0	0	0	-0.65	
-5194	C2	SLES	1	-10.8577	-56.2478	18.2164	CC32A	5190	5195	5196	5197	-0.11	
-5195	H2A	SLES	1	-11.8801	-55.8236	18.0332	HCA2	5194	0	0	0	0.09	
-5196	H2B	SLES	1	-10.2776	-56.2668	17.2558	HCA2	5194	0	0	0	0.09	
-5197	C1	SLES	1	-10.1097	-55.4669	19.3184	CC32A	5194	5198	5199	5200	-0.01	
-5198	H1B	SLES	1	-10.6838	-55.4831	20.2809	HCA2	5197	0	0	0	0.09	
-5199	H1A	SLES	1	-9.09698	-55.9042	19.4983	HCA2	5197	0	0	0	0.09	
-5200	O1	SLES	1	-9.84068	-54.1175	19.1163	OC30A	5197	5201	0	0	-0.34	
-5201	C2	SLES	1	-10.2886	-53.5236	17.9115	CC32A	5200	5202	5203	5204	-0.01	
-5202	H2A	SLES	1	-11.4092	-53.6111	17.8226	HCA2	5201	0	0	0	0.09	
-5203	H2B	SLES	1	-9.82537	-54.0124	17.0227	HCA2	5201	0	0	0	0.09	
-5204	C1	SLES	1	-9.80181	-52.1521	18.5055	CC32A	5201	5205	5206	5207	-0.01	
-5205	H1B	SLES	1	-10.8259	-51.7593	18.4547	HCA2	5204	0	0	0	0.09	
-5206	H1A	SLES	1	-9.07498	-52.2425	17.619	HCA2	5204	0	0	0	0.09	
-5207	O1	SLES	1	-9.17848	-50.8964	18.5882	OC30A	5204	5208	0	0	-0.34	
-5208	C1	SLES	1	-9.53107	-49.9086	17.6302	CTL2	5207	5209	5210	5211	-0.18	
-5209	H11	SLES	1	-10.6331	-49.765	17.451	HAL2	5208	0	0	0	0.09	
-5210	H12	SLES	1	-9.06567	-50.1424	16.6397	HAL2	5208	0	0	0	0.09	
-5211	C2	SLES	1	-8.90036	-48.6865	18.2963	CTL2	5208	5212	5213	5214	-0.18	
-5212	H21	SLES	1	-9.39022	-48.4013	19.2582	HAL2	5211	0	0	0	0.09	
-5213	H22	SLES	1	-7.80201	-48.7987	18.4677	HAL2	5211	0	0	0	0.09	
-5214	C3	SLES	1	-9.12234	-47.6183	17.3033	CTL2	5211	5215	5216	5217	-0.18	
-5215	H31	SLES	1	-10.2385	-47.5655	17.1815	HAL2	5214	0	0	0	0.09	
-5216	H32	SLES	1	-8.60895	-47.9795	16.3696	HAL2	5214	0	0	0	0.09	
-5217	C4	SLES	1	-8.64399	-46.2233	17.5445	CTL2	5214	5218	5219	5220	-0.18	
-5218	H41	SLES	1	-9.11249	-45.7848	18.4599	HAL2	5217	0	0	0	0.09	
-5219	H42	SLES	1	-7.53674	-46.1894	17.6739	HAL2	5217	0	0	0	0.09	
-5220	C5	SLES	1	-9.13754	-45.5976	16.233	CTL2	5217	5221	5222	5223	-0.18	
-5221	H51	SLES	1	-10.2473	-45.7291	16.1274	HAL2	5220	0	0	0	0.09	
-5222	H52	SLES	1	-8.68981	-46.1279	15.3517	HAL2	5220	0	0	0	0.09	
-5223	C6	SLES	1	-8.87121	-44.1685	16.0329	CTL2	5220	5224	5225	5226	-0.18	
-5224	H61	SLES	1	-9.86863	-43.6867	15.8433	HAL2	5223	0	0	0	0.09	
-5225	H62	SLES	1	-8.30668	-44.0865	15.0655	HAL2	5223	0	0	0	0.09	
-5226	C7	SLES	1	-8.12435	-43.4385	17.1558	CTL2	5223	5227	5228	5229	-0.18	
-5227	H71	SLES	1	-8.67435	-43.4159	18.1262	HAL2	5226	0	0	0	0.09	
-5228	H72	SLES	1	-7.09313	-43.8206	17.3384	HAL2	5226	0	0	0	0.09	
-5229	C8	SLES	1	-8.07517	-42.0789	16.5586	CTL2	5226	5230	5231	5232	-0.18	
-5230	H81	SLES	1	-9.14404	-41.7709	16.3832	HAL2	5229	0	0	0	0.09	
-5231	H82	SLES	1	-7.5293	-42.185	15.5782	HAL2	5229	0	0	0	0.09	
-5232	C9	SLES	1	-7.42356	-40.957	17.2891	CTL2	5229	5233	5234	5235	-0.18	
-5233	H91	SLES	1	-7.93446	-40.7838	18.2625	HAL2	5232	0	0	0	0.09	
-5234	H92	SLES	1	-6.3505	-41.1896	17.4725	HAL2	5232	0	0	0	0.09	
-5235	C10	SLES	1	-7.63199	-39.8226	16.288	CTL2	5232	5236	5237	5238	-0.18	
-5236	H10	SLES	1	-8.72916	-39.6861	16.0884	HAL2	5235	0	0	0	0.09	
-5237	H10	SLES	1	-7.15684	-40.0888	15.3048	HAL2	5235	0	0	0	0.09	
-5238	C11	SLES	1	-7.08289	-38.4981	16.7086	CTL2	5235	5239	5240	5241	-0.18	
-5239	H11	SLES	1	-7.5724	-38.227	17.6729	HAL2	5238	0	0	0	0.09	
-5240	H11	SLES	1	-5.9905	-38.6324	16.885	HAL2	5238	0	0	0	0.09	
-5241	C12	SLES	1	-7.36343	-37.4635	15.6151	CTL3	5238	5242	5243	5244	-0.27	
-5242	H12	SLES	1	-8.00314	-36.6529	16.0148	HAL3	5241	0	0	0	0.09	
-5243	H12	SLES	1	-6.4103	-37.0606	15.2206	HAL3	5241	0	0	0	0.09	
-5244	H12	SLES	1	-7.90951	-37.9017	14.7438	HAL3	5241	0	0	0	0.09	
-5245	NA	SLES	1	5.15275	-60.358	20.549	NA	0	0	0	0	1	
-5246	S	SLES	1	3.22976	-59.7311	18.2944	SL	5247	5248	5249	5250	1.33	
-5247	OS1	SLES	1	3.71414	-58.4183	18.754	OSL	5246	5251	0	0	-0.28	
-5248	OS2	SLES	1	2.75821	-60.0539	19.6226	O2L	5246	0	0	0	-0.65	
-5249	OS3	SLES	1	4.57822	-60.1596	18.0022	O2L	5246	0	0	0	-0.65	
-5250	OS4	SLES	1	2.29678	-59.4813	17.2318	O2L	5246	0	0	0	-0.65	
-5251	C2	SLES	1	3.39521	-57.1803	18.2574	CC32A	5247	5252	5253	5254	-0.11	
-5252	H2A	SLES	1	2.29334	-56.9881	18.3462	HCA2	5251	0	0	0	0.09	
-5253	H2B	SLES	1	3.7113	-57.085	17.1847	HCA2	5251	0	0	0	0.09	
-5254	C1	SLES	1	4.2091	-56.2442	19.1766	CC32A	5251	5255	5256	5257	-0.01	
-5255	H1B	SLES	1	3.9066	-56.3725	20.2482	HCA2	5254	0	0	0	0.09	
-5256	H1A	SLES	1	5.30374	-56.4512	19.0864	HCA2	5254	0	0	0	0.09	
-5257	O1	SLES	1	4.12861	-54.8709	18.9723	OC30A	5254	5258	0	0	-0.34	
-5258	C2	SLES	1	3.28267	-54.4011	17.9387	CC32A	5257	5259	5260	5261	-0.01	
-5259	H2A	SLES	1	2.21924	-54.7287	18.1211	HCA2	5258	0	0	0	0.09	
-5260	H2B	SLES	1	3.60516	-54.7889	16.9441	HCA2	5258	0	0	0	0.09	
-5261	C1	SLES	1	3.59954	-52.9502	18.4539	CC32A	5258	5262	5263	5264	-0.01	
-5262	H1B	SLES	1	2.53536	-52.7877	18.6701	HCA2	5261	0	0	0	0.09	
-5263	H1A	SLES	1	4.08776	-52.8923	17.4144	HCA2	5261	0	0	0	0.09	
-5264	O1	SLES	1	3.94414	-51.589	18.4357	OC30A	5261	5265	0	0	-0.34	
-5265	C1	SLES	1	3.16587	-50.7112	17.6346	CTL2	5264	5266	5267	5268	-0.18	
-5266	H11	SLES	1	2.04897	-50.8102	17.7347	HAL2	5265	0	0	0	0.09	
-5267	H12	SLES	1	3.41149	-50.8507	16.5517	HAL2	5265	0	0	0	0.09	
-5268	C2	SLES	1	3.66822	-49.3745	18.1784	CTL2	5265	5269	5270	5271	-0.18	
-5269	H21	SLES	1	3.38157	-49.1904	19.2417	HAL2	5268	0	0	0	0.09	
-5270	H22	SLES	1	4.77305	-49.2457	18.0729	HAL2	5268	0	0	0	0.09	
-5271	C3	SLES	1	2.98791	-48.3905	17.3151	CTL2	5268	5272	5273	5274	-0.18	
-5272	H31	SLES	1	1.89104	-48.5805	17.4705	HAL2	5271	0	0	0	0.09	
-5273	H32	SLES	1	3.31985	-48.6434	16.2703	HAL2	5271	0	0	0	0.09	
-5274	C4	SLES	1	3.20495	-46.9226	17.4915	CTL2	5271	5275	5276	5277	-0.18	
-5275	H41	SLES	1	2.89463	-46.5848	18.511	HAL2	5274	0	0	0	0.09	
-5276	H42	SLES	1	4.27697	-46.6497	17.3493	HAL2	5274	0	0	0	0.09	
-5277	C5	SLES	1	2.28282	-46.4328	16.3669	CTL2	5274	5278	5279	5280	-0.18	
-5278	H51	SLES	1	1.23491	-46.8012	16.5286	HAL2	5277	0	0	0	0.09	
-5279	H52	SLES	1	2.60129	-46.8643	15.3816	HAL2	5277	0	0	0	0.09	
-5280	C6	SLES	1	2.18342	-44.9822	16.1686	CTL2	5277	5281	5282	5283	-0.18	
-5281	H61	SLES	1	1.09149	-44.7286	16.2475	HAL2	5280	0	0	0	0.09	
-5282	H62	SLES	1	2.46176	-44.7917	15.0974	HAL2	5280	0	0	0	0.09	
-5283	C7	SLES	1	3.01218	-44.0958	17.1062	CTL2	5280	5284	5285	5286	-0.18	
-5284	H71	SLES	1	2.72622	-44.1811	18.1811	HAL2	5283	0	0	0	0.09	
-5285	H72	SLES	1	4.1133	-44.2449	17.0164	HAL2	5283	0	0	0	0.09	
-5286	C8	SLES	1	2.62425	-42.7645	16.5728	CTL2	5283	5287	5288	5289	-0.18	
-5287	H81	SLES	1	1.50494	-42.6957	16.6755	HAL2	5286	0	0	0	0.09	
-5288	H82	SLES	1	2.92147	-42.7617	15.4856	HAL2	5286	0	0	0	0.09	
-5289	C9	SLES	1	3.18341	-41.5204	17.1698	CTL2	5286	5290	5291	5292	-0.18	
-5290	H91	SLES	1	2.90337	-41.45	18.2446	HAL2	5289	0	0	0	0.09	
-5291	H92	SLES	1	4.29272	-41.5144	17.077	HAL2	5289	0	0	0	0.09	
-5292	C10	SLES	1	2.49992	-40.4688	16.2981	CTL2	5289	5293	5294	5295	-0.18	
-5293	H10	SLES	1	1.38413	-40.574	16.377	HAL2	5292	0	0	0	0.09	
-5294	H10	SLES	1	2.76342	-40.6378	15.2186	HAL2	5292	0	0	0	0.09	
-5295	C11	SLES	1	2.84298	-39.0526	16.6282	CTL2	5292	5296	5297	5298	-0.18	
-5296	H11	SLES	1	2.56022	-38.8822	17.6931	HAL2	5295	0	0	0	0.09	
-5297	H11	SLES	1	3.94807	-38.9465	16.5281	HAL2	5295	0	0	0	0.09	
-5298	C12	SLES	1	2.08962	-38.1151	15.6803	CTL3	5295	5299	5300	5301	-0.27	
-5299	H12	SLES	1	1.41167	-37.4566	16.2573	HAL3	5298	0	0	0	0.09	
-5300	H12	SLES	1	2.80881	-37.521	15.0834	HAL3	5298	0	0	0	0.09	
-5301	H12	SLES	1	1.45106	-38.6704	14.9501	HAL3	5298	0	0	0	0.09	
-5302	NA	SLES	1	20.3459	-57.1212	20.1668	NA	0	0	0	0	1	
-5303	S	SLES	1	17.8564	-57.0719	18.4423	SL	5304	5305	5306	5307	1.33	
-5304	OS1	SLES	1	18.136	-55.6575	18.743	OSL	5303	5308	0	0	-0.28	
-5305	OS2	SLES	1	17.7937	-57.3886	19.8517	O2L	5303	0	0	0	-0.65	
-5306	OS3	SLES	1	19.1581	-57.2311	17.836	O2L	5303	0	0	0	-0.65	
-5307	OS4	SLES	1	16.6679	-57.0988	17.637	O2L	5303	0	0	0	-0.65	
-5308	C2	SLES	1	17.4458	-54.5518	18.3159	CC32A	5304	5309	5310	5311	-0.11	
-5309	H2A	SLES	1	16.3814	-54.5867	18.6691	HCA2	5308	0	0	0	0.09	
-5310	H2B	SLES	1	17.4713	-54.4708	17.1968	HCA2	5308	0	0	0	0.09	
-5311	C1	SLES	1	18.2282	-53.4032	18.9884	CC32A	5308	5312	5313	5314	-0.01	
-5312	H1B	SLES	1	18.2225	-53.5137	20.1038	HCA2	5311	0	0	0	0.09	
-5313	H1A	SLES	1	19.2887	-53.3844	18.6359	HCA2	5311	0	0	0	0.09	
-5314	O1	SLES	1	17.8031	-52.095	18.7834	OC30A	5311	5315	0	0	-0.34	
-5315	C2	SLES	1	16.6556	-51.887	17.9804	CC32A	5314	5316	5317	5318	-0.01	
-5316	H2A	SLES	1	15.7634	-52.4142	18.425	HCA2	5315	0	0	0	0.09	
-5317	H2B	SLES	1	16.8114	-52.2704	16.9449	HCA2	5315	0	0	0	0.09	
-5318	C1	SLES	1	16.7594	-50.3686	18.3735	CC32A	5315	5319	5320	5321	-0.01	
-5319	H1B	SLES	1	15.7672	-50.4153	18.8414	HCA2	5318	0	0	0	0.09	
-5320	H1A	SLES	1	16.9639	-50.2859	17.2449	HCA2	5318	0	0	0	0.09	
-5321	O1	SLES	1	16.7833	-48.9705	18.2445	OC30A	5318	5322	0	0	-0.34	
-5322	C1	SLES	1	15.6654	-48.3337	17.6424	CTL2	5321	5323	5324	5325	-0.18	
-5323	H11	SLES	1	14.6531	-48.6548	18.0159	HAL2	5322	0	0	0	0.09	
-5324	H12	SLES	1	15.6732	-48.4971	16.5352	HAL2	5322	0	0	0	0.09	
-5325	C2	SLES	1	15.9765	-46.886	18.0198	CTL2	5322	5326	5327	5328	-0.18	
-5326	H21	SLES	1	15.9155	-46.6891	19.1171	HAL2	5325	0	0	0	0.09	
-5327	H22	SLES	1	16.9696	-46.5387	17.6434	HAL2	5325	0	0	0	0.09	
-5328	C3	SLES	1	14.9134	-46.1298	17.3311	CTL2	5325	5329	5330	5331	-0.18	
-5329	H31	SLES	1	13.9531	-46.5316	17.7551	HAL2	5328	0	0	0	0.09	
-5330	H32	SLES	1	15.0368	-46.3832	16.2419	HAL2	5328	0	0	0	0.09	
-5331	C4	SLES	1	14.8391	-44.64	17.42	CTL2	5328	5332	5333	5334	-0.18	
-5332	H41	SLES	1	14.7116	-44.3011	18.4777	HAL2	5331	0	0	0	0.09	
-5333	H42	SLES	1	15.7608	-44.1615	17.0134	HAL2	5331	0	0	0	0.09	
-5334	C5	SLES	1	13.5936	-44.4349	16.5472	CTL2	5331	5335	5336	5337	-0.18	
-5335	H51	SLES	1	12.7202	-45.0002	16.9688	HAL2	5334	0	0	0	0.09	
-5336	H52	SLES	1	13.7574	-44.861	15.5225	HAL2	5334	0	0	0	0.09	
-5337	C6	SLES	1	13.1351	-43.0548	16.3512	CTL2	5334	5338	5339	5340	-0.18	
-5338	H61	SLES	1	12.0643	-43.0284	16.6911	HAL2	5337	0	0	0	0.09	
-5339	H62	SLES	1	13.1044	-42.8886	15.2409	HAL2	5337	0	0	0	0.09	
-5340	C7	SLES	1	13.9468	-41.9502	17.0387	CTL2	5337	5341	5342	5343	-0.18	
-5341	H71	SLES	1	13.9481	-42.015	18.1525	HAL2	5340	0	0	0	0.09	
-5342	H72	SLES	1	15.0008	-41.8736	16.684	HAL2	5340	0	0	0	0.09	
-5343	C8	SLES	1	13.1622	-40.7705	16.5912	CTL2	5340	5344	5345	5346	-0.18	
-5344	H81	SLES	1	12.1116	-40.9284	16.9646	HAL2	5343	0	0	0	0.09	
-5345	H82	SLES	1	13.1867	-40.7848	15.4644	HAL2	5343	0	0	0	0.09	
-5346	C9	SLES	1	13.56	-39.3976	17.008	CTL2	5343	5347	5348	5349	-0.18	
-5347	H91	SLES	1	13.5328	-39.3094	18.1171	HAL2	5346	0	0	0	0.09	
-5348	H92	SLES	1	14.5871	-39.1683	16.6453	HAL2	5346	0	0	0	0.09	
-5349	C10	SLES	1	12.4771	-38.5767	16.3107	CTL2	5346	5350	5351	5352	-0.18	
-5350	H10	SLES	1	11.4622	-38.9052	16.6635	HAL2	5349	0	0	0	0.09	
-5351	H10	SLES	1	12.5091	-38.765	15.203	HAL2	5349	0	0	0	0.09	
-5352	C11	SLES	1	12.5696	-37.1	16.5186	CTL2	5349	5353	5354	5355	-0.18	
-5353	H11	SLES	1	12.5156	-36.9155	17.6168	HAL2	5352	0	0	0	0.09	
-5354	H11	SLES	1	13.5691	-36.7744	16.1479	HAL2	5352	0	0	0	0.09	
-5355	C12	SLES	1	11.4276	-36.4104	15.7669	CTL3	5352	5356	5357	5358	-0.27	
-5356	H12	SLES	1	10.7775	-35.8671	16.4798	HAL3	5355	0	0	0	0.09	
-5357	H12	SLES	1	11.8377	-35.7248	15	HAL3	5355	0	0	0	0.09	
-5358	H12	SLES	1	10.7724	-37.1376	15.227	HAL3	5355	0	0	0	0.09	
-5359	NA	SLES	1	34.1464	-50.1892	19.7113	NA	0	0	0	0	1	
-5360	S	SLES	1	31.4041	-50.8646	18.6168	SL	5361	5362	5363	5364	1.33	
-5361	OS1	SLES	1	31.4148	-49.3962	18.7298	OSL	5360	5365	0	0	-0.28	
-5362	OS2	SLES	1	31.7123	-51.0034	20.0226	O2L	5360	0	0	0	-0.65	
-5363	OS3	SLES	1	32.5508	-50.8351	17.7384	O2L	5360	0	0	0	-0.65	
-5364	OS4	SLES	1	30.1101	-51.2337	18.1157	O2L	5360	0	0	0	-0.65	
-5365	C2	SLES	1	30.4195	-48.5165	18.3883	CC32A	5361	5366	5367	5368	-0.11	
-5366	H2A	SLES	1	29.489	-48.7193	18.9817	HCA2	5365	0	0	0	0.09	
-5367	H2B	SLES	1	30.1901	-48.5767	17.2913	HCA2	5365	0	0	0	0.09	
-5368	C1	SLES	1	31.0466	-47.1571	18.7656	CC32A	5365	5369	5370	5371	-0.01	
-5369	H1B	SLES	1	31.3007	-47.122	19.8567	HCA2	5368	0	0	0	0.09	
-5370	H1A	SLES	1	31.9771	-46.9706	18.1752	HCA2	5368	0	0	0	0.09	
-5371	O1	SLES	1	30.3045	-45.9987	18.5613	OC30A	5368	5372	0	0	-0.34	
-5372	C2	SLES	1	28.9971	-46.1312	18.0341	CC32A	5371	5373	5374	5375	-0.01	
-5373	H2A	SLES	1	28.3606	-46.7656	18.7153	HCA2	5372	0	0	0	0.09	
-5374	H2B	SLES	1	29.0138	-46.6053	17.0249	HCA2	5372	0	0	0	0.09	
-5375	C1	SLES	1	28.8366	-44.5853	18.2693	CC32A	5372	5376	5377	5378	-0.01	
-5376	H1B	SLES	1	28.0016	-44.7703	18.9579	HCA2	5375	0	0	0	0.09	
-5377	H1A	SLES	1	28.7751	-44.6091	17.1213	HCA2	5375	0	0	0	0.09	
-5378	O1	SLES	1	28.5174	-43.2395	18.0268	OC30A	5375	5379	0	0	-0.34	
-5379	C1	SLES	1	27.1838	-42.9237	17.653	CTL2	5378	5380	5381	5382	-0.18	
-5380	H11	SLES	1	26.3717	-43.3914	18.2768	HAL2	5379	0	0	0	0.09	
-5381	H12	SLES	1	26.9951	-43.2233	16.5913	HAL2	5379	0	0	0	0.09	
-5382	C2	SLES	1	27.2332	-41.4068	17.8303	CTL2	5379	5383	5384	5385	-0.18	
-5383	H21	SLES	1	27.3617	-41.0866	18.8922	HAL2	5382	0	0	0	0.09	
-5384	H22	SLES	1	28.0206	-40.918	17.2061	HAL2	5382	0	0	0	0.09	
-5385	C3	SLES	1	25.9067	-40.9752	17.3503	CTL2	5382	5386	5387	5388	-0.18	
-5386	H31	SLES	1	25.1728	-41.5042	18.0173	HAL2	5385	0	0	0	0.09	
-5387	H32	SLES	1	25.852	-41.3365	16.2863	HAL2	5385	0	0	0	0.09	
-5388	C4	SLES	1	25.5193	-39.5321	17.3345	CTL2	5385	5389	5390	5391	-0.18	
-5389	H41	SLES	1	25.5442	-39.0926	18.3622	HAL2	5388	0	0	0	0.09	
-5390	H42	SLES	1	26.2029	-38.9342	16.6872	HAL2	5388	0	0	0	0.09	
-5391	C5	SLES	1	24.1046	-39.696	16.7628	CTL2	5388	5392	5393	5394	-0.18	
-5392	H51	SLES	1	23.4897	-40.3666	17.4203	HAL2	5391	0	0	0	0.09	
-5393	H52	SLES	1	24.1408	-40.2087	15.7656	HAL2	5391	0	0	0	0.09	
-5394	C6	SLES	1	23.3164	-38.4735	16.5692	CTL2	5391	5395	5396	5397	-0.18	
-5395	H61	SLES	1	22.3633	-38.6197	17.1463	HAL2	5394	0	0	0	0.09	
-5396	H62	SLES	1	23.0162	-38.4612	15.4871	HAL2	5394	0	0	0	0.09	
-5397	C7	SLES	1	23.9845	-37.149	16.9578	CTL2	5394	5398	5399	5400	-0.18	
-5398	H71	SLES	1	24.2346	-37.0683	18.042	HAL2	5397	0	0	0	0.09	
-5399	H72	SLES	1	24.8954	-36.908	16.3621	HAL2	5397	0	0	0	0.09	
-5400	C8	SLES	1	22.8783	-36.2191	16.6126	CTL2	5397	5401	5402	5403	-0.18	
-5401	H81	SLES	1	21.9929	-36.5359	17.2322	HAL2	5400	0	0	0	0.09	
-5402	H82	SLES	1	22.6678	-36.373	15.5161	HAL2	5400	0	0	0	0.09	
-5403	C9	SLES	1	23.0352	-34.7522	16.8138	CTL2	5400	5404	5405	5406	-0.18	
-5404	H91	SLES	1	23.2229	-34.5293	17.888	HAL2	5403	0	0	0	0.09	
-5405	H92	SLES	1	23.8845	-34.3693	16.2044	HAL2	5403	0	0	0	0.09	
-5406	C10	SLES	1	21.6736	-34.2629	16.325	CTL2	5403	5407	5408	5409	-0.18	
-5407	H10	SLES	1	20.8563	-34.7409	16.9298	HAL2	5406	0	0	0	0.09	
-5408	H10	SLES	1	21.5134	-34.5818	15.2591	HAL2	5406	0	0	0	0.09	
-5409	C11	SLES	1	21.4728	-32.7836	16.3866	CTL2	5406	5410	5411	5412	-0.18	
-5410	H11	SLES	1	21.6109	-32.4739	17.4488	HAL2	5409	0	0	0	0.09	
-5411	H11	SLES	1	22.2724	-32.3139	15.7682	HAL2	5409	0	0	0	0.09	
-5412	C12	SLES	1	20.0729	-32.4407	15.8693	CTL3	5409	5413	5414	5415	-0.27	
-5413	H12	SLES	1	19.4821	-31.9523	16.6683	HAL3	5412	0	0	0	0.09	
-5414	H12	SLES	1	20.1474	-31.791	14.9755	HAL3	5412	0	0	0	0.09	
-5415	H12	SLES	1	19.4998	-33.3482	15.5571	HAL3	5412	0	0	0	0.09	
-5416	NA	SLES	1	45.6836	-40.08	19.2111	NA	0	0	0	0	1	
-5417	S	SLES	1	43.0221	-41.4681	18.8068	SL	5418	5419	5420	5421	1.33	
-5418	OS1	SLES	1	42.7163	-40.0302	18.7151	OSL	5417	5422	0	0	-0.28	
-5419	OS2	SLES	1	43.5905	-41.292	20.1246	O2L	5417	0	0	0	-0.65	
-5420	OS3	SLES	1	43.9633	-41.3679	17.7153	O2L	5417	0	0	0	-0.65	
-5421	OS4	SLES	1	41.7802	-42.1689	18.6379	O2L	5417	0	0	0	-0.65	
-5422	C2	SLES	1	41.5028	-39.4398	18.47	CC32A	5418	5423	5424	5425	-0.11	
-5423	H2A	SLES	1	40.7594	-39.7146	19.2642	HCA2	5422	0	0	0	0.09	
-5424	H2B	SLES	1	41.1084	-39.7374	17.4623	HCA2	5422	0	0	0	0.09	
-5425	C1	SLES	1	41.858	-37.9382	18.5221	CC32A	5422	5426	5427	5428	-0.01	
-5426	H1B	SLES	1	42.2809	-37.661	19.5225	HCA2	5425	0	0	0	0.09	
-5427	H1A	SLES	1	42.6057	-37.6786	17.733	HCA2	5425	0	0	0	0.09	
-5428	O1	SLES	1	40.8472	-37.0046	18.3201	OC30A	5425	5429	0	0	-0.34	
-5429	C2	SLES	1	39.534	-37.4847	18.0964	CC32A	5428	5430	5431	5432	-0.01	
-5430	H2A	SLES	1	39.186	-38.1018	18.9736	HCA2	5429	0	0	0	0.09	
-5431	H2B	SLES	1	39.485	-38.117	17.1792	HCA2	5429	0	0	0	0.09	
-5432	C1	SLES	1	39.0675	-35.9845	18.1479	CC32A	5429	5433	5434	5435	-0.01	
-5433	H1B	SLES	1	38.4279	-36.2063	19.0123	HCA2	5432	0	0	0	0.09	
-5434	H1A	SLES	1	38.8168	-36.2227	17.0512	HCA2	5432	0	0	0	0.09	
-5435	O1	SLES	1	38.4125	-34.7931	17.7962	OC30A	5432	5436	0	0	-0.34	
-5436	C1	SLES	1	36.9982	-34.8191	17.6658	CTL2	5435	5437	5438	5439	-0.18	
-5437	H11	SLES	1	36.434	-35.3204	18.501	HAL2	5436	0	0	0	0.09	
-5438	H12	SLES	1	36.7035	-35.3331	16.7164	HAL2	5436	0	0	0	0.09	
-5439	C2	SLES	1	36.7295	-33.3155	17.6218	CTL2	5436	5440	5441	5442	-0.18	
-5440	H21	SLES	1	36.9618	-32.7935	18.5811	HAL2	5439	0	0	0	0.09	
-5441	H22	SLES	1	37.2651	-32.7987	16.7886	HAL2	5439	0	0	0	0.09	
-5442	C3	SLES	1	35.2773	-33.2471	17.3715	CTL2	5439	5443	5444	5445	-0.18	
-5443	H31	SLES	1	34.8094	-33.7844	18.2408	HAL2	5442	0	0	0	0.09	
-5444	H32	SLES	1	35.1246	-33.7946	16.4005	HAL2	5442	0	0	0	0.09	
-5445	C4	SLES	1	34.5736	-31.9354	17.2404	CTL2	5442	5446	5447	5448	-0.18	
-5446	H41	SLES	1	34.6736	-31.3249	18.1716	HAL2	5445	0	0	0	0.09	
-5447	H42	SLES	1	34.9809	-31.3381	16.3912	HAL2	5445	0	0	0	0.09	
-5448	C5	SLES	1	33.1572	-32.4749	16.9999	CTL2	5445	5449	5450	5451	-0.18	
-5449	H51	SLES	1	32.834	-33.1268	17.8547	HAL2	5448	0	0	0	0.09	
-5450	H52	SLES	1	33.1377	-33.1384	16.0956	HAL2	5448	0	0	0	0.09	
-5451	C6	SLES	1	32.0894	-31.4867	16.809	CTL2	5448	5452	5453	5454	-0.18	
-5452	H61	SLES	1	31.3085	-31.7143	17.5844	HAL2	5451	0	0	0	0.09	
-5453	H62	SLES	1	31.613	-31.7258	15.8204	HAL2	5451	0	0	0	0.09	
-5454	C7	SLES	1	32.4938	-30.0087	16.8685	CTL2	5451	5455	5456	5457	-0.18	
-5455	H71	SLES	1	32.9012	-29.6895	17.8567	HAL2	5454	0	0	0	0.09	
-5456	H72	SLES	1	33.2093	-29.7012	16.0708	HAL2	5454	0	0	0	0.09	
-5457	C8	SLES	1	31.162	-29.3923	16.6358	CTL2	5454	5458	5459	5460	-0.18	
-5458	H81	SLES	1	30.4923	-29.7635	17.4615	HAL2	5457	0	0	0	0.09	
-5459	H82	SLES	1	30.8071	-29.7765	15.6373	HAL2	5457	0	0	0	0.09	
-5460	C9	SLES	1	31.0118	-27.9115	16.5996	CTL2	5457	5461	5462	5463	-0.18	
-5461	H91	SLES	1	31.3252	-27.4693	17.5717	HAL2	5460	0	0	0	0.09	
-5462	H92	SLES	1	31.6335	-27.482	15.7821	HAL2	5460	0	0	0	0.09	
-5463	C10	SLES	1	29.5112	-27.796	16.34	CTL2	5460	5464	5465	5466	-0.18	
-5464	H10	SLES	1	28.9411	-28.3117	17.1593	HAL2	5463	0	0	0	0.09	
-5465	H10	SLES	1	29.2475	-28.3238	15.3833	HAL2	5463	0	0	0	0.09	
-5466	C11	SLES	1	28.9915	-26.3987	16.2406	CTL2	5463	5467	5468	5469	-0.18	
-5467	H11	SLES	1	29.2355	-25.8849	17.1995	HAL2	5466	0	0	0	0.09	
-5468	H11	SLES	1	29.5442	-25.8969	15.4129	HAL2	5466	0	0	0	0.09	
-5469	C12	SLES	1	27.4828	-26.437	15.9811	CTL3	5466	5470	5471	5472	-0.27	
-5470	H12	SLES	1	26.9423	-25.9418	16.811	HAL3	5469	0	0	0	0.09	
-5471	H12	SLES	1	27.2522	-25.9541	15.0116	HAL3	5469	0	0	0	0.09	
-5472	H12	SLES	1	27.0873	-27.4807	15.9196	HAL3	5469	0	0	0	0.09	
-5473	NA	SLES	1	54.2695	-27.5025	18.6977	NA	0	0	0	0	1	
-5474	S	SLES	1	51.9655	-29.4452	19.0006	SL	5475	5476	5477	5478	1.33	
-5475	OS1	SLES	1	51.3312	-28.1504	18.6999	OSL	5474	5479	0	0	-0.28	
-5476	OS2	SLES	1	52.6357	-28.8818	20.1512	O2L	5474	0	0	0	-0.65	
-5477	OS3	SLES	1	52.7183	-29.3961	17.7684	O2L	5474	0	0	0	-0.65	
-5478	OS4	SLES	1	50.905	-30.3983	19.1706	O2L	5474	0	0	0	-0.65	
-5479	C2	SLES	1	49.9944	-27.8792	18.5558	CC32A	5475	5480	5481	5482	-0.11	
-5480	H2A	SLES	1	49.4361	-28.1196	19.4989	HCA2	5479	0	0	0	0.09	
-5481	H2B	SLES	1	49.558	-28.4579	17.699	HCA2	5479	0	0	0	0.09	
-5482	C1	SLES	1	50.0016	-26.3613	18.2734	CC32A	5479	5483	5484	5485	-0.01	
-5483	H1B	SLES	1	50.4693	-25.798	19.1221	HCA2	5482	0	0	0	0.09	
-5484	H1A	SLES	1	50.5681	-26.1335	17.3373	HCA2	5482	0	0	0	0.09	
-5485	O1	SLES	1	48.7877	-25.7125	18.0748	OC30A	5482	5486	0	0	-0.34	
-5486	C2	SLES	1	47.6013	-26.4802	18.1635	CC32A	5485	5487	5488	5489	-0.01	
-5487	H2A	SLES	1	47.5131	-26.9518	19.1839	HCA2	5486	0	0	0	0.09	
-5488	H2B	SLES	1	47.5858	-27.2911	17.3981	HCA2	5486	0	0	0	0.09	
-5489	C1	SLES	1	46.815	-25.127	18.0168	CC32A	5486	5490	5491	5492	-0.01	
-5490	H1B	SLES	1	46.3534	-25.2812	19.0011	HCA2	5489	0	0	0	0.09	
-5491	H1A	SLES	1	46.4929	-25.6395	17.039	HCA2	5489	0	0	0	0.09	
-5492	O1	SLES	1	45.8677	-24.193	17.5672	OC30A	5489	5493	0	0	-0.34	
-5493	C1	SLES	1	44.4915	-24.5266	17.6801	CTL2	5492	5494	5495	5496	-0.18	
-5494	H11	SLES	1	44.1629	-24.9393	18.6746	HAL2	5493	0	0	0	0.09	
-5495	H12	SLES	1	44.2078	-25.28	16.9027	HAL2	5493	0	0	0	0.09	
-5496	C2	SLES	1	43.8837	-23.1513	17.4076	CTL2	5493	5497	5498	5499	-0.18	
-5497	H21	SLES	1	44.1065	-22.4006	18.2034	HAL2	5496	0	0	0	0.09	
-5498	H22	SLES	1	44.1814	-22.7291	16.4169	HAL2	5496	0	0	0	0.09	
-5499	C3	SLES	1	42.4348	-23.4279	17.3933	CTL2	5496	5500	5501	5502	-0.18	
-5500	H31	SLES	1	42.2116	-23.8487	18.4114	HAL2	5499	0	0	0	0.09	
-5501	H32	SLES	1	42.2933	-24.1898	16.5776	HAL2	5499	0	0	0	0.09	
-5502	C4	SLES	1	41.44	-22.3412	17.1435	CTL2	5499	5503	5504	5505	-0.18	
-5503	H41	SLES	1	41.5113	-21.5381	17.9179	HAL2	5502	0	0	0	0.09	
-5504	H42	SLES	1	41.5934	-21.8709	16.1439	HAL2	5502	0	0	0	0.09	
-5505	C5	SLES	1	40.1654	-23.19	17.2438	CTL2	5502	5506	5507	5508	-0.18	
-5506	H51	SLES	1	40.1064	-23.6946	18.2448	HAL2	5505	0	0	0	0.09	
-5507	H52	SLES	1	40.1872	-24.0221	16.4918	HAL2	5505	0	0	0	0.09	
-5508	C6	SLES	1	38.8853	-22.4978	17.0555	CTL2	5505	5509	5510	5511	-0.18	
-5509	H61	SLES	1	38.2778	-22.7046	17.978	HAL2	5508	0	0	0	0.09	
-5510	H62	SLES	1	38.3587	-23.0327	16.2201	HAL2	5508	0	0	0	0.09	
-5511	C7	SLES	1	38.9462	-20.9911	16.7763	CTL2	5508	5512	5513	5514	-0.18	
-5512	H71	SLES	1	39.388	-20.3933	17.6082	HAL2	5511	0	0	0	0.09	
-5513	H72	SLES	1	39.4697	-20.7258	15.8285	HAL2	5511	0	0	0	0.09	
-5514	C8	SLES	1	37.4908	-20.716	16.6591	CTL2	5511	5515	5516	5517	-0.18	
-5515	H81	SLES	1	37.0296	-21.0272	17.6381	HAL2	5514	0	0	0	0.09	
-5516	H82	SLES	1	37.1135	-21.3677	15.8204	HAL2	5514	0	0	0	0.09	
-5517	C9	SLES	1	37.0038	-19.3373	16.3787	CTL2	5514	5518	5519	5520	-0.18	
-5518	H91	SLES	1	37.3246	-18.644	17.1881	HAL2	5517	0	0	0	0.09	
-5519	H92	SLES	1	37.4064	-18.978	15.405	HAL2	5517	0	0	0	0.09	
-5520	C10	SLES	1	35.4962	-19.5804	16.3549	CTL2	5517	5521	5522	5523	-0.18	
-5521	H10	SLES	1	35.1633	-20.0114	17.3376	HAL2	5520	0	0	0	0.09	
-5522	H10	SLES	1	35.2447	-20.3424	15.5677	HAL2	5520	0	0	0	0.09	
-5523	C11	SLES	1	34.6634	-18.3685	16.0897	CTL2	5520	5524	5525	5526	-0.18	
-5524	H11	SLES	1	34.8993	-17.6233	16.8847	HAL2	5523	0	0	0	0.09	
-5525	H11	SLES	1	34.9817	-17.956	15.1043	HAL2	5523	0	0	0	0.09	
-5526	C12	SLES	1	33.1831	-18.7603	16.0954	CTL3	5523	5527	5528	5529	-0.27	
-5527	H12	SLES	1	32.6496	-18.2163	16.8988	HAL3	5526	0	0	0	0.09	
-5528	H12	SLES	1	32.7317	-18.5518	15.1058	HAL3	5526	0	0	0	0.09	
-5529	H12	SLES	1	33.0315	-19.8502	16.2919	HAL3	5526	0	0	0	0.09	
-5530	NA	SLES	1	59.4324	-13.294	18.2032	NA	0	0	0	0	1	
-5531	S	SLES	1	57.6465	-15.5345	19.1858	SL	5532	5533	5534	5535	1.33	
-5532	OS1	SLES	1	56.7202	-14.5046	18.6852	OSL	5531	5536	0	0	-0.28	
-5533	OS2	SLES	1	58.2472	-14.5898	20.1009	O2L	5531	0	0	0	-0.65	
-5534	OS3	SLES	1	58.2872	-15.6283	17.8942	O2L	5531	0	0	0	-0.65	
-5535	OS4	SLES	1	56.8397	-16.6143	19.6806	O2L	5531	0	0	0	-0.65	
-5536	C2	SLES	1	55.3502	-14.5521	18.6405	CC32A	5532	5537	5538	5539	-0.11	
-5537	H2A	SLES	1	54.9226	-14.6694	19.6712	HCA2	5536	0	0	0	0.09	
-5538	H2B	SLES	1	54.9994	-15.3941	17.9865	HCA2	5536	0	0	0	0.09	
-5539	C1	SLES	1	54.9989	-13.176	18.035	CC32A	5536	5540	5541	5542	-0.01	
-5540	H1B	SLES	1	55.383	-12.3443	18.6808	HCA2	5539	0	0	0	0.09	
-5541	H1A	SLES	1	55.4378	-13.0674	17.0128	HCA2	5539	0	0	0	0.09	
-5542	O1	SLES	1	53.6603	-12.853	17.8409	OC30A	5539	5543	0	0	-0.34	
-5543	C2	SLES	1	52.6842	-13.8017	18.2309	CC32A	5542	5544	5545	5546	-0.01	
-5544	H2A	SLES	1	52.7706	-14.0248	19.3328	HCA2	5543	0	0	0	0.09	
-5545	H2B	SLES	1	52.8008	-14.7571	17.6678	HCA2	5543	0	0	0	0.09	
-5546	C1	SLES	1	51.6071	-12.7105	17.8844	CC32A	5543	5547	5548	5549	-0.01	
-5547	H1B	SLES	1	51.257	-12.7164	18.9251	HCA2	5546	0	0	0	0.09	
-5548	H1A	SLES	1	51.3449	-13.4951	17.0856	HCA2	5546	0	0	0	0.09	
-5549	O1	SLES	1	50.4475	-12.1222	17.3541	OC30A	5546	5550	0	0	-0.34	
-5550	C1	SLES	1	49.1913	-12.6912	17.6949	CTL2	5549	5551	5552	5553	-0.18	
-5551	H11	SLES	1	49.029	-12.9134	18.7865	HAL2	5550	0	0	0	0.09	
-5552	H12	SLES	1	49.0333	-13.6493	17.1384	HAL2	5550	0	0	0	0.09	
-5553	C2	SLES	1	48.2747	-11.5728	17.201	CTL2	5550	5554	5555	5556	-0.18	
-5554	H21	SLES	1	48.3752	-10.6252	17.7829	HAL2	5553	0	0	0	0.09	
-5555	H22	SLES	1	48.4049	-11.347	16.1145	HAL2	5553	0	0	0	0.09	
-5556	C3	SLES	1	46.9266	-12.1327	17.4144	CTL2	5553	5557	5558	5559	-0.18	
-5557	H31	SLES	1	46.8703	-12.3354	18.5185	HAL2	5556	0	0	0	0.09	
-5558	H32	SLES	1	46.9064	-13.079	16.8062	HAL2	5556	0	0	0	0.09	
-5559	C4	SLES	1	45.6997	-11.3614	17.05	CTL2	5556	5560	5561	5562	-0.18	
-5560	H41	SLES	1	45.6398	-10.3999	17.6172	HAL2	5559	0	0	0	0.09	
-5561	H42	SLES	1	45.6783	-11.1212	15.9611	HAL2	5559	0	0	0	0.09	
-5562	C5	SLES	1	44.6567	-12.4022	17.4791	CTL2	5559	5563	5564	5565	-0.18	
-5563	H51	SLES	1	44.7777	-12.6555	18.566	HAL2	5562	0	0	0	0.09	
-5564	H52	SLES	1	44.8151	-13.367	16.9292	HAL2	5562	0	0	0	0.09	
-5565	C6	SLES	1	43.2447	-12.0489	17.2932	CTL2	5562	5566	5567	5568	-0.18	
-5566	H61	SLES	1	42.7604	-12.1491	18.3023	HAL2	5565	0	0	0	0.09	
-5567	H62	SLES	1	42.7979	-12.8625	16.6609	HAL2	5565	0	0	0	0.09	
-5568	C7	SLES	1	42.9485	-10.6718	16.6871	CTL2	5565	5569	5570	5571	-0.18	
-5569	H71	SLES	1	43.2985	-9.81652	17.3121	HAL2	5568	0	0	0	0.09	
-5570	H72	SLES	1	43.3363	-10.539	15.6504	HAL2	5568	0	0	0	0.09	
-5571	C8	SLES	1	41.464	-10.7333	16.6812	CTL2	5568	5572	5573	5574	-0.18	
-5572	H81	SLES	1	41.149	-10.8896	17.751	HAL2	5571	0	0	0	0.09	
-5573	H82	SLES	1	41.1881	-11.6282	16.054	HAL2	5571	0	0	0	0.09	
-5574	C9	SLES	1	40.6634	-9.58899	16.165	CTL2	5571	5575	5576	5577	-0.18	
-5575	H91	SLES	1	40.873	-8.67295	16.7613	HAL2	5574	0	0	0	0.09	
-5576	H92	SLES	1	40.911	-9.39768	15.0966	HAL2	5574	0	0	0	0.09	
-5577	C10	SLES	1	39.2503	-10.1312	16.3686	CTL2	5574	5578	5579	5580	-0.18	
-5578	H10	SLES	1	39.0871	-10.3744	17.4533	HAL2	5577	0	0	0	0.09	
-5579	H10	SLES	1	39.1249	-11.0932	15.8009	HAL2	5577	0	0	0	0.09	
-5580	C11	SLES	1	38.1519	-9.21188	15.9434	CTL2	5577	5581	5582	5583	-0.18	
-5581	H11	SLES	1	38.2663	-8.26711	16.5242	HAL2	5580	0	0	0	0.09	
-5582	H11	SLES	1	38.3047	-8.98988	14.8618	HAL2	5580	0	0	0	0.09	
-5583	C12	SLES	1	36.8004	-9.88281	16.2049	CTL3	5580	5584	5585	5586	-0.27	
-5584	H12	SLES	1	36.2123	-9.28312	16.9264	HAL3	5583	0	0	0	0.09	
-5585	H12	SLES	1	36.2502	-10.0115	15.2524	HAL3	5583	0	0	0	0.09	
-5586	H12	SLES	1	36.9098	-10.9021	16.6504	HAL3	5583	0	0	0	0.09	
-5587	NA	SLES	1	60.603	1.64418	1.75877	NA	0	0	0	0	1	
-5588	S	SLES	1	59.8049	-0.607557	3.62075	SL	5589	5590	5591	5592	1.33	
-5589	OS1	SLES	1	58.5378	0.0495181	3.25739	OSL	5588	5593	0	0	-0.28	
-5590	OS2	SLES	1	60.3387	0.637759	4.12559	O2L	5588	0	0	0	-0.65	
-5591	OS3	SLES	1	60.0959	-0.880562	2.2322	O2L	5588	0	0	0	-0.65	
-5592	OS4	SLES	1	59.4757	-1.67631	4.52144	O2L	5588	0	0	0	-0.65	
-5593	C2	SLES	1	57.2679	-0.293442	3.64593	CC32A	5589	5594	5595	5596	-0.11	
-5594	H2A	SLES	1	57.1656	-0.239842	4.76199	HCA2	5593	0	0	0	0.09	
-5595	H2B	SLES	1	57.0046	-1.32482	3.29028	HCA2	5593	0	0	0	0.09	
-5596	C1	SLES	1	56.4137	0.785828	2.94656	CC32A	5593	5597	5598	5599	-0.01	
-5597	H1B	SLES	1	56.7086	1.81251	3.28614	HCA2	5596	0	0	0	0.09	
-5598	H1A	SLES	1	56.531	0.728524	1.83653	HCA2	5596	0	0	0	0.09	
-5599	O1	SLES	1	55.0341	0.763312	3.1208	OC30A	5596	5600	0	0	-0.34	
-5600	C2	SLES	1	54.4855	-0.242648	3.95261	CC32A	5599	5601	5602	5603	-0.01	
-5601	H2A	SLES	1	54.907	-0.164001	4.9955	HCA2	5600	0	0	0	0.09	
-5602	H2B	SLES	1	54.7099	-1.26114	3.55777	HCA2	5600	0	0	0	0.09	
-5603	C1	SLES	1	53.1011	0.478817	3.76898	CC32A	5600	5604	5605	5606	-0.01	
-5604	H1B	SLES	1	53.043	0.65649	4.85096	HCA2	5603	0	0	0	0.09	
-5605	H1A	SLES	1	52.8675	-0.515444	3.24054	HCA2	5603	0	0	0	0.09	
-5606	O1	SLES	1	51.73	0.661847	3.52716	OC30A	5603	5607	0	0	-0.34	
-5607	C1	SLES	1	50.8056	-0.0556061	4.3326	CTL2	5606	5608	5609	5610	-0.18	
-5608	H11	SLES	1	50.9935	-0.0306716	5.44226	HAL2	5607	0	0	0	0.09	
-5609	H12	SLES	1	50.7777	-1.13244	4.02906	HAL2	5607	0	0	0	0.09	
-5610	C2	SLES	1	49.5252	0.688909	3.95691	CTL2	5607	5611	5612	5613	-0.18	
-5611	H21	SLES	1	49.5092	1.75006	4.30381	HAL2	5610	0	0	0	0.09	
-5612	H22	SLES	1	49.308	0.661981	2.86127	HAL2	5610	0	0	0	0.09	
-5613	C3	SLES	1	48.4807	-0.0705721	4.66997	CTL2	5610	5614	5615	5616	-0.18	
-5614	H31	SLES	1	48.7648	-0.00200562	5.75531	HAL2	5613	0	0	0	0.09	
-5615	H32	SLES	1	48.5642	-1.1202	4.27361	HAL2	5613	0	0	0	0.09	
-5616	C4	SLES	1	47.0396	0.312422	4.57193	CTL2	5613	5617	5618	5619	-0.18	
-5617	H41	SLES	1	46.8672	1.34952	4.952	HAL2	5616	0	0	0	0.09	
-5618	H42	SLES	1	46.6771	0.266707	3.51817	HAL2	5616	0	0	0	0.09	
-5619	C5	SLES	1	46.4639	-0.785032	5.47709	CTL2	5616	5620	5621	5622	-0.18	
-5620	H51	SLES	1	46.9219	-0.731426	6.50053	HAL2	5619	0	0	0	0.09	
-5621	H52	SLES	1	46.7331	-1.8004	5.08338	HAL2	5619	0	0	0	0.09	
-5622	C6	SLES	1	45.0101	-0.792326	5.67622	CTL2	5619	5623	5624	5625	-0.18	
-5623	H61	SLES	1	44.845	-0.739757	6.78656	HAL2	5622	0	0	0	0.09	
-5624	H62	SLES	1	44.6555	-1.81162	5.3654	HAL2	5622	0	0	0	0.09	
-5625	C7	SLES	1	44.2066	0.29928	4.95913	CTL2	5622	5626	5627	5628	-0.18	
-5626	H71	SLES	1	44.4582	1.33595	5.28562	HAL2	5625	0	0	0	0.09	
-5627	H72	SLES	1	44.2663	0.250531	3.84702	HAL2	5625	0	0	0	0.09	
-5628	C8	SLES	1	42.8441	-0.0712677	5.42178	CTL2	5625	5629	5630	5631	-0.18	
-5629	H81	SLES	1	42.8668	-0.0213796	6.54656	HAL2	5628	0	0	0	0.09	
-5630	H82	SLES	1	42.6716	-1.13052	5.07731	HAL2	5628	0	0	0	0.09	
-5631	C9	SLES	1	41.6587	0.716524	4.9849	CTL2	5628	5632	5633	5634	-0.18	
-5632	H91	SLES	1	41.7562	1.77424	5.31719	HAL2	5631	0	0	0	0.09	
-5633	H92	SLES	1	41.5642	0.685989	3.87614	HAL2	5631	0	0	0	0.09	
-5634	C10	SLES	1	40.5465	-0.0423176	5.70584	CTL2	5631	5635	5636	5637	-0.18	
-5635	H10	SLES	1	40.7375	-0.0391775	6.81297	HAL2	5634	0	0	0	0.09	
-5636	H10	SLES	1	40.547	-1.11881	5.3824	HAL2	5634	0	0	0	0.09	
-5637	C11	SLES	1	39.1689	0.492708	5.48524	CTL2	5634	5638	5639	5640	-0.18	
-5638	H11	SLES	1	39.1664	1.55386	5.82731	HAL2	5637	0	0	0	0.09	
-5639	H11	SLES	1	38.9749	0.468091	4.38787	HAL2	5637	0	0	0	0.09	
-5640	C12	SLES	1	38.1637	-0.360704	6.2638	CTL3	5637	5641	5642	5643	-0.27	
-5641	H12	SLES	1	37.6388	0.261463	7.01441	HAL3	5640	0	0	0	0.09	
-5642	H12	SLES	1	37.4455	-0.832578	5.56533	HAL3	5640	0	0	0	0.09	
-5643	H12	SLES	1	38.6557	-1.19245	6.82556	HAL3	5640	0	0	0	0.09	
-5644	NA	SLES	1	58.3337	16.3003	1.39237	NA	0	0	0	0	1	
-5645	S	SLES	1	58.0592	14.4253	3.75529	SL	5646	5647	5648	5649	1.33	
-5646	OS1	SLES	1	56.6876	14.5953	3.24629	OSL	5645	5650	0	0	-0.28	
-5647	OS2	SLES	1	58.1996	15.8531	3.93532	O2L	5645	0	0	0	-0.65	
-5648	OS3	SLES	1	58.5035	13.9227	2.47575	O2L	5645	0	0	0	-0.65	
-5649	OS4	SLES	1	57.9754	13.5533	4.89302	O2L	5645	0	0	0	-0.65	
-5650	C2	SLES	1	55.5365	14.0131	3.71256	CC32A	5646	5651	5652	5653	-0.11	
-5651	H2A	SLES	1	55.3509	14.2997	4.78135	HCA2	5650	0	0	0	0.09	
-5652	H2B	SLES	1	55.5879	12.8955	3.62326	HCA2	5650	0	0	0	0.09	
-5653	C1	SLES	1	54.4683	14.6114	2.77215	CC32A	5650	5654	5655	5656	-0.01	
-5654	H1B	SLES	1	54.4496	15.7297	2.8469	HCA2	5653	0	0	0	0.09	
-5655	H1A	SLES	1	54.6689	14.327	1.71005	HCA2	5653	0	0	0	0.09	
-5656	O1	SLES	1	53.1386	14.2456	2.95217	OC30A	5653	5657	0	0	-0.34	
-5657	C2	SLES	1	52.8316	13.3542	4.00855	CC32A	5656	5658	5659	5660	-0.01	
-5658	H2A	SLES	1	53.1468	13.7934	4.99813	HCA2	5657	0	0	0	0.09	
-5659	H2B	SLES	1	53.3502	12.3759	3.87612	HCA2	5657	0	0	0	0.09	
-5660	C1	SLES	1	51.3181	13.5939	3.65834	CC32A	5657	5661	5662	5663	-0.01	
-5661	H1B	SLES	1	51.1433	14.0002	4.66334	HCA2	5660	0	0	0	0.09	
-5662	H1A	SLES	1	51.3991	12.4781	3.39231	HCA2	5660	0	0	0	0.09	
-5663	O1	SLES	1	49.9678	13.3228	3.38443	OC30A	5660	5664	0	0	-0.34	
-5664	C1	SLES	1	49.2232	12.5882	4.34566	CTL2	5663	5665	5666	5667	-0.18	
-5665	H11	SLES	1	49.3244	12.9279	5.41414	HAL2	5664	0	0	0	0.09	
-5666	H12	SLES	1	49.5095	11.5066	4.31711	HAL2	5664	0	0	0	0.09	
-5667	C2	SLES	1	47.8158	12.8328	3.8032	CTL2	5664	5668	5669	5670	-0.18	
-5668	H21	SLES	1	47.4888	13.8978	3.87781	HAL2	5667	0	0	0	0.09	
-5669	H22	SLES	1	47.6861	12.4864	2.74892	HAL2	5667	0	0	0	0.09	
-5670	C3	SLES	1	46.9734	12.0035	4.68575	CTL2	5667	5671	5672	5673	-0.18	
-5671	H31	SLES	1	47.1566	12.4049	5.71951	HAL2	5670	0	0	0	0.09	
-5672	H32	SLES	1	47.3652	10.9564	4.56009	HAL2	5670	0	0	0	0.09	
-5673	C4	SLES	1	45.492	11.9329	4.50216	CTL2	5670	5674	5675	5676	-0.18	
-5674	H41	SLES	1	45.0193	12.9396	4.61549	HAL2	5673	0	0	0	0.09	
-5675	H42	SLES	1	45.2253	11.5383	3.49369	HAL2	5673	0	0	0	0.09	
-5676	C5	SLES	1	45.1792	10.9663	5.6523	CTL2	5673	5677	5678	5679	-0.18	
-5677	H51	SLES	1	45.5374	11.3877	6.62905	HAL2	5676	0	0	0	0.09	
-5678	H52	SLES	1	45.7398	10.0036	5.52001	HAL2	5676	0	0	0	0.09	
-5679	C6	SLES	1	43.7725	10.5998	5.85299	CTL2	5676	5680	5681	5682	-0.18	
-5680	H61	SLES	1	43.5273	10.8665	6.91675	HAL2	5679	0	0	0	0.09	
-5681	H62	SLES	1	43.73	9.47854	5.80453	HAL2	5679	0	0	0	0.09	
-5682	C7	SLES	1	42.7507	11.2195	4.89216	CTL2	5679	5683	5684	5685	-0.18	
-5683	H71	SLES	1	42.6886	12.3318	4.95195	HAL2	5682	0	0	0	0.09	
-5684	H72	SLES	1	42.8938	10.9264	3.82617	HAL2	5682	0	0	0	0.09	
-5685	C8	SLES	1	41.5135	10.6034	5.43743	CTL2	5682	5686	5687	5688	-0.18	
-5686	H81	SLES	1	41.4482	10.9237	6.51508	HAL2	5685	0	0	0	0.09	
-5687	H82	SLES	1	41.6588	9.48803	5.36547	HAL2	5685	0	0	0	0.09	
-5688	C9	SLES	1	40.1894	10.9003	4.82462	CTL2	5685	5689	5690	5691	-0.18	
-5689	H91	SLES	1	39.9733	11.9904	4.88545	HAL2	5688	0	0	0	0.09	
-5690	H92	SLES	1	40.1794	10.5818	3.75801	HAL2	5688	0	0	0	0.09	
-5691	C10	SLES	1	39.2813	10.0546	5.71491	CTL2	5688	5692	5693	5694	-0.18	
-5692	H10	SLES	1	39.3916	10.3743	6.78631	HAL2	5691	0	0	0	0.09	
-5693	H10	SLES	1	39.596	8.97657	5.66689	HAL2	5691	0	0	0	0.09	
-5694	C11	SLES	1	37.8276	10.114	5.37481	CTL2	5691	5695	5696	5697	-0.18	
-5695	H11	SLES	1	37.5138	11.1816	5.44469	HAL2	5694	0	0	0	0.09	
-5696	H11	SLES	1	37.7196	9.77584	4.3182	HAL2	5694	0	0	0	0.09	
-5697	C12	SLES	1	37.0442	9.22398	6.34384	CTL3	5694	5698	5699	5700	-0.27	
-5698	H12	SLES	1	36.3218	9.83415	6.92	HAL3	5697	0	0	0	0.09	
-5699	H12	SLES	1	36.5287	8.41788	5.7862	HAL3	5697	0	0	0	0.09	
-5700	H12	SLES	1	37.7063	8.72172	7.09132	HAL3	5697	0	0	0	0.09	
-5701	NA	SLES	1	52.6303	29.8897	1.12698	NA	0	0	0	0	1	
-5702	S	SLES	1	52.5767	28.5661	3.85085	SL	5703	5704	5705	5706	1.33	
-5703	OS1	SLES	1	51.2822	28.2225	3.23811	OSL	5702	5707	0	0	-0.28	
-5704	OS2	SLES	1	52.3098	29.9781	3.69096	O2L	5702	0	0	0	-0.65	
-5705	OS3	SLES	1	53.2917	27.9502	2.75687	O2L	5702	0	0	0	-0.65	
-5706	OS4	SLES	1	52.589	27.9714	5.15777	O2L	5702	0	0	0	-0.65	
-5707	C2	SLES	1	50.279	27.4487	3.76355	CC32A	5703	5708	5709	5710	-0.11	
-5708	H2A	SLES	1	49.8946	27.892	4.71995	HCA2	5707	0	0	0	0.09	
-5709	H2B	SLES	1	50.6358	26.4008	3.94798	HCA2	5707	0	0	0	0.09	
-5710	C1	SLES	1	49.2136	27.4998	2.64739	CC32A	5707	5711	5712	5713	-0.01	
-5711	H1B	SLES	1	48.8896	28.5546	2.45059	HCA2	5710	0	0	0	0.09	
-5712	H1A	SLES	1	49.611	27.0643	1.69782	HCA2	5710	0	0	0	0.09	
-5713	O1	SLES	1	48.0172	26.8155	2.83328	OC30A	5710	5714	0	0	-0.34	
-5714	C2	SLES	1	47.8311	26.1213	4.05321	CC32A	5713	5715	5716	5717	-0.01	
-5715	H2A	SLES	1	47.8948	26.8336	4.92499	HCA2	5714	0	0	0	0.09	
-5716	H2B	SLES	1	48.6031	25.3281	4.18925	HCA2	5714	0	0	0	0.09	
-5717	C1	SLES	1	46.363	25.8362	3.56948	CC32A	5714	5718	5719	5720	-0.01	
-5718	H1B	SLES	1	45.9649	26.3806	4.43598	HCA2	5717	0	0	0	0.09	
-5719	H1A	SLES	1	46.7693	24.7605	3.58392	HCA2	5717	0	0	0	0.09	
-5720	O1	SLES	1	45.1772	25.1371	3.29159	OC30A	5717	5721	0	0	-0.34	
-5721	C1	SLES	1	44.5427	24.4435	4.35657	CTL2	5720	5722	5723	5724	-0.18	
-5722	H11	SLES	1	44.4185	25.0185	5.3164	HAL2	5721	0	0	0	0.09	
-5723	H12	SLES	1	45.1071	23.5096	4.60471	HAL2	5721	0	0	0	0.09	
-5724	C2	SLES	1	43.1981	24.1522	3.69145	CTL2	5721	5725	5726	5727	-0.18	
-5725	H21	SLES	1	42.5935	25.0689	3.48959	HAL2	5724	0	0	0	0.09	
-5726	H22	SLES	1	43.2951	23.5658	2.74537	HAL2	5724	0	0	0	0.09	
-5727	C3	SLES	1	42.5048	23.3253	4.69728	CTL2	5724	5728	5729	5730	-0.18	
-5728	H31	SLES	1	42.4469	23.974	5.61337	HAL2	5727	0	0	0	0.09	
-5729	H32	SLES	1	43.173	22.433	4.84912	HAL2	5727	0	0	0	0.09	
-5730	C4	SLES	1	41.1294	22.7953	4.4513	CTL2	5727	5731	5732	5733	-0.18	
-5731	H41	SLES	1	40.3961	23.6241	4.29257	HAL2	5730	0	0	0	0.09	
-5732	H42	SLES	1	41.1025	22.1345	3.5533	HAL2	5730	0	0	0	0.09	
-5733	C5	SLES	1	40.9463	22.0492	5.7798	CTL2	5730	5734	5735	5736	-0.18	
-5734	H51	SLES	1	41.0574	22.7546	6.64587	HAL2	5733	0	0	0	0.09	
-5735	H52	SLES	1	41.7542	21.2827	5.91463	HAL2	5733	0	0	0	0.09	
-5736	C6	SLES	1	39.6739	21.3467	5.98148	CTL2	5733	5737	5738	5739	-0.18	
-5737	H61	SLES	1	39.2383	21.7531	6.93435	HAL2	5736	0	0	0	0.09	
-5738	H62	SLES	1	39.9369	20.2771	6.20097	HAL2	5736	0	0	0	0.09	
-5739	C7	SLES	1	38.6496	21.4266	4.84305	CTL2	5736	5740	5741	5742	-0.18	
-5740	H71	SLES	1	38.2876	22.4603	4.63067	HAL2	5739	0	0	0	0.09	
-5741	H72	SLES	1	38.9948	20.9658	3.88849	HAL2	5739	0	0	0	0.09	
-5742	C8	SLES	1	37.5634	20.6134	5.44824	CTL2	5739	5743	5744	5745	-0.18	
-5743	H81	SLES	1	37.2841	21.1244	6.41207	HAL2	5742	0	0	0	0.09	
-5744	H82	SLES	1	38.0074	19.5981	5.65435	HAL2	5742	0	0	0	0.09	
-5745	C9	SLES	1	36.2934	20.3797	4.70718	CTL2	5742	5746	5747	5748	-0.18	
-5746	H91	SLES	1	35.7897	21.3487	4.4923	HAL2	5745	0	0	0	0.09	
-5747	H92	SLES	1	36.4989	19.8511	3.74933	HAL2	5745	0	0	0	0.09	
-5748	C10	SLES	1	35.5406	19.5202	5.72071	CTL2	5745	5749	5750	5751	-0.18	
-5749	H10	SLES	1	35.4301	20.0798	6.68868	HAL2	5748	0	0	0	0.09	
-5750	H10	SLES	1	36.1338	18.5936	5.95076	HAL2	5748	0	0	0	0.09	
-5751	C11	SLES	1	34.1763	19.0861	5.29344	CTL2	5748	5752	5753	5754	-0.18	
-5752	H11	SLES	1	33.5841	20.008	5.08712	HAL2	5751	0	0	0	0.09	
-5753	H11	SLES	1	34.2921	18.5131	4.34437	HAL2	5751	0	0	0	0.09	
-5754	C12	SLES	1	33.545	18.2378	6.40105	CTL3	5751	5755	5756	5757	-0.27	
-5755	H12	SLES	1	32.6216	18.7239	6.77163	HAL3	5754	0	0	0	0.09	
-5756	H12	SLES	1	33.3343	17.2179	6.02438	HAL3	5754	0	0	0	0.09	
-5757	H12	SLES	1	34.2201	18.1187	7.2839	HAL3	5754	0	0	0	0.09	
-5758	NA	SLES	1	43.869	41.6643	0.979275	NA	0	0	0	0	1	
-5759	S	SLES	1	43.6964	40.8862	3.90143	SL	5760	5761	5762	5763	1.33	
-5760	OS1	SLES	1	42.6619	40.0782	3.23336	OSL	5759	5764	0	0	-0.28	
-5761	OS2	SLES	1	43.1011	42.1079	3.40786	O2L	5759	0	0	0	-0.65	
-5762	OS3	SLES	1	44.7244	40.3215	3.05789	O2L	5759	0	0	0	-0.65	
-5763	OS4	SLES	1	43.6391	40.5619	5.29906	O2L	5759	0	0	0	-0.65	
-5764	C2	SLES	1	41.8212	39.1519	3.7957	CC32A	5760	5765	5766	5767	-0.11	
-5765	H2A	SLES	1	41.1759	39.626	4.58163	HCA2	5764	0	0	0	0.09	
-5766	H2B	SLES	1	42.4024	38.3029	4.24402	HCA2	5764	0	0	0	0.09	
-5767	C1	SLES	1	40.9876	38.6925	2.58012	CC32A	5764	5768	5769	5770	-0.01	
-5768	H1B	SLES	1	40.4378	39.5552	2.12209	HCA2	5767	0	0	0	0.09	
-5769	H1A	SLES	1	41.6419	38.2306	1.80059	HCA2	5767	0	0	0	0.09	
-5770	O1	SLES	1	39.9982	37.734	2.7716	OC30A	5767	5771	0	0	-0.34	
-5771	C2	SLES	1	39.7935	37.243	4.08379	CC32A	5770	5772	5773	5774	-0.01	
-5772	H2A	SLES	1	39.518	38.0856	4.78067	HCA2	5771	0	0	0	0.09	
-5773	H2B	SLES	1	40.7107	36.7457	4.47751	HCA2	5771	0	0	0	0.09	
-5774	C1	SLES	1	38.5566	36.4623	3.50799	CC32A	5771	5775	5776	5777	-0.01	
-5775	H1B	SLES	1	37.8874	37.0118	4.18317	HCA2	5774	0	0	0	0.09	
-5776	H1A	SLES	1	39.2213	35.5716	3.80332	HCA2	5774	0	0	0	0.09	
-5777	O1	SLES	1	37.6609	35.411	3.25446	OC30A	5774	5778	0	0	-0.34	
-5778	C1	SLES	1	37.0566	34.7627	4.36467	CTL2	5777	5779	5780	5781	-0.18	
-5779	H11	SLES	1	36.6235	35.4371	5.15519	HAL2	5778	0	0	0	0.09	
-5780	H12	SLES	1	37.7944	34.0926	4.87381	HAL2	5778	0	0	0	0.09	
-5781	C2	SLES	1	35.97	33.9801	3.62868	CTL2	5778	5782	5783	5784	-0.18	
-5782	H21	SLES	1	35.1907	34.6304	3.16353	HAL2	5781	0	0	0	0.09	
-5783	H22	SLES	1	36.3779	33.2895	2.85083	HAL2	5781	0	0	0	0.09	
-5784	C3	SLES	1	35.3549	33.1789	4.70386	CTL2	5781	5785	5786	5787	-0.18	
-5785	H31	SLES	1	34.973	33.9341	5.44355	HAL2	5784	0	0	0	0.09	
-5786	H32	SLES	1	36.1969	32.5611	5.12254	HAL2	5784	0	0	0	0.09	
-5787	C4	SLES	1	34.2294	32.237	4.42255	CTL2	5784	5788	5789	5790	-0.18	
-5788	H41	SLES	1	33.3435	32.7749	4.00354	HAL2	5787	0	0	0	0.09	
-5789	H42	SLES	1	34.5309	31.4489	3.69326	HAL2	5787	0	0	0	0.09	
-5790	C5	SLES	1	34.0224	31.7173	5.85158	CTL2	5787	5791	5792	5793	-0.18	
-5791	H51	SLES	1	33.7948	32.5662	6.54992	HAL2	5790	0	0	0	0.09	
-5792	H52	SLES	1	34.967	31.2554	6.24245	HAL2	5790	0	0	0	0.09	
-5793	C6	SLES	1	32.9629	30.7223	6.05361	CTL2	5790	5794	5795	5796	-0.18	
-5794	H61	SLES	1	32.2793	31.1465	6.83825	HAL2	5793	0	0	0	0.09	
-5795	H62	SLES	1	33.4547	29.832	6.52982	HAL2	5793	0	0	0	0.09	
-5796	C7	SLES	1	32.1647	30.2982	4.81488	CTL2	5793	5797	5798	5799	-0.18	
-5797	H71	SLES	1	31.587	31.1272	4.34199	HAL2	5796	0	0	0	0.09	
-5798	H72	SLES	1	32.777	29.7963	4.03004	HAL2	5796	0	0	0	0.09	
-5799	C8	SLES	1	31.2417	29.3247	5.45354	CTL2	5796	5800	5801	5802	-0.18	
-5800	H81	SLES	1	30.6773	29.8945	6.24401	HAL2	5799	0	0	0	0.09	
-5801	H82	SLES	1	31.8935	28.5356	5.92581	HAL2	5799	0	0	0	0.09	
-5802	C9	SLES	1	30.2237	28.6045	4.63997	CTL2	5799	5803	5804	5805	-0.18	
-5803	H91	SLES	1	29.5289	29.331	4.16244	HAL2	5802	0	0	0	0.09	
-5804	H92	SLES	1	30.7217	27.9977	3.85063	HAL2	5802	0	0	0	0.09	
-5805	C10	SLES	1	29.5595	27.7567	5.72287	CTL2	5802	5806	5807	5808	-0.18	
-5806	H10	SLES	1	29.1419	28.422	6.52622	HAL2	5805	0	0	0	0.09	
-5807	H10	SLES	1	30.3256	27.0987	6.21619	HAL2	5805	0	0	0	0.09	
-5808	C11	SLES	1	28.4505	26.8761	5.24624	CTL2	5805	5809	5810	5811	-0.18	
-5809	H11	SLES	1	27.6825	27.5342	4.77707	HAL2	5808	0	0	0	0.09	
-5810	H11	SLES	1	28.8733	26.2031	4.46474	HAL2	5808	0	0	0	0.09	
-5811	C12	SLES	1	27.8824	26.0909	6.43184	CTL3	5808	5812	5813	5814	-0.27	
-5812	H12	SLES	1	26.8147	26.3449	6.57863	HAL3	5811	0	0	0	0.09	
-5813	H12	SLES	1	28.0137	25.004	6.2649	HAL3	5811	0	0	0	0.09	
-5814	H12	SLES	1	28.4032	26.3315	7.39118	HAL3	5811	0	0	0	0.09	
-5815	NA	SLES	1	32.5649	50.9855	0.958539	NA	0	0	0	0	1	
-5816	S	SLES	1	31.9906	50.5736	3.90385	SL	5817	5818	5819	5820	1.33	
-5817	OS1	SLES	1	31.3674	49.4204	3.23235	OSL	5816	5821	0	0	-0.28	
-5818	OS2	SLES	1	31.2147	51.4948	3.10382	O2L	5816	0	0	0	-0.65	
-5819	OS3	SLES	1	33.284	50.2292	3.3599	O2L	5816	0	0	0	-0.65	
-5820	OS4	SLES	1	31.7273	50.4294	5.30802	O2L	5816	0	0	0	-0.65	
-5821	C2	SLES	1	30.6988	48.3697	3.80698	CC32A	5817	5822	5823	5824	-0.11	
-5822	H2A	SLES	1	29.8017	48.7323	4.3751	HCA2	5821	0	0	0	0.09	
-5823	H2B	SLES	1	31.3736	47.792	4.4928	HCA2	5821	0	0	0	0.09	
-5824	C1	SLES	1	30.289	47.535	2.57456	CC32A	5821	5825	5826	5827	-0.01	
-5825	H1B	SLES	1	29.6422	48.1337	1.88205	HCA2	5824	0	0	0	0.09	
-5826	H1A	SLES	1	31.19	47.1874	2.01192	HCA2	5824	0	0	0	0.09	
-5827	O1	SLES	1	29.5667	46.3628	2.77101	OC30A	5824	5828	0	0	-0.34	
-5828	C2	SLES	1	29.226	46.0066	4.09835	CC32A	5827	5829	5830	5831	-0.01	
-5829	H2A	SLES	1	28.5999	46.8147	4.57425	HCA2	5828	0	0	0	0.09	
-5830	H2B	SLES	1	30.1371	45.8531	4.72276	HCA2	5828	0	0	0	0.09	
-5831	C1	SLES	1	28.3855	44.8321	3.47772	CC32A	5828	5832	5833	5834	-0.01	
-5832	H1B	SLES	1	27.4696	45.2449	3.9208	HCA2	5831	0	0	0	0.09	
-5833	H1A	SLES	1	29.1821	44.2195	4.03672	HCA2	5831	0	0	0	0.09	
-5834	O1	SLES	1	27.8693	43.542	3.27538	OC30A	5831	5835	0	0	-0.34	
-5835	C1	SLES	1	27.2357	42.8943	4.36944	CTL2	5834	5836	5837	5838	-0.18	
-5836	H11	SLES	1	26.4854	43.5091	4.94064	HAL2	5835	0	0	0	0.09	
-5837	H12	SLES	1	27.9986	42.5395	5.10749	HAL2	5835	0	0	0	0.09	
-5838	C2	SLES	1	26.571	41.7411	3.61883	CTL2	5835	5839	5840	5841	-0.18	
-5839	H21	SLES	1	25.7649	42.0707	2.92012	HAL2	5838	0	0	0	0.09	
-5840	H22	SLES	1	27.2992	41.1052	3.05869	HAL2	5838	0	0	0	0.09	
-5841	C3	SLES	1	25.9745	40.9408	4.70506	CTL2	5838	5842	5843	5844	-0.18	
-5842	H31	SLES	1	25.262	41.6407	5.22074	HAL2	5841	0	0	0	0.09	
-5843	H32	SLES	1	26.8409	40.6543	5.36317	HAL2	5841	0	0	0	0.09	
-5844	C4	SLES	1	25.2191	39.6839	4.41771	CTL2	5841	5845	5846	5847	-0.18	
-5845	H41	SLES	1	24.3322	39.8818	3.76656	HAL2	5844	0	0	0	0.09	
-5846	H42	SLES	1	25.8622	38.9308	3.90478	HAL2	5844	0	0	0	0.09	
-5847	C5	SLES	1	24.8591	39.3148	5.86314	CTL2	5844	5848	5849	5850	-0.18	
-5848	H51	SLES	1	24.2762	40.143	6.34723	HAL2	5847	0	0	0	0.09	
-5849	H52	SLES	1	25.7873	39.2025	6.48287	HAL2	5847	0	0	0	0.09	
-5850	C6	SLES	1	24.0781	38.089	6.06485	CTL2	5847	5851	5852	5853	-0.18	
-5851	H61	SLES	1	23.1583	38.3929	6.63449	HAL2	5850	0	0	0	0.09	
-5852	H62	SLES	1	24.6736	37.4496	6.7704	HAL2	5850	0	0	0	0.09	
-5853	C7	SLES	1	23.6973	37.295	4.80942	CTL2	5850	5854	5855	5856	-0.18	
-5854	H71	SLES	1	23.0361	37.8517	4.10403	HAL2	5853	0	0	0	0.09	
-5855	H72	SLES	1	24.5702	36.8967	4.24195	HAL2	5853	0	0	0	0.09	
-5856	C8	SLES	1	22.9474	36.1855	5.453	CTL2	5853	5857	5858	5859	-0.18	
-5857	H81	SLES	1	22.1007	36.6629	6.02146	HAL2	5856	0	0	0	0.09	
-5858	H82	SLES	1	23.6681	35.6882	6.16277	HAL2	5856	0	0	0	0.09	
-5859	C9	SLES	1	22.3475	35.1015	4.6272	CTL2	5856	5860	5861	5862	-0.18	
-5860	H91	SLES	1	21.6037	35.5264	3.9166	HAL2	5859	0	0	0	0.09	
-5861	H92	SLES	1	23.141	34.5698	4.05556	HAL2	5859	0	0	0	0.09	
-5862	C10	SLES	1	21.7151	34.2438	5.72124	CTL2	5859	5863	5864	5865	-0.18	
-5863	H10	SLES	1	20.9791	34.8561	6.30913	HAL2	5862	0	0	0	0.09	
-5864	H10	SLES	1	22.5049	33.9066	6.44649	HAL2	5862	0	0	0	0.09	
-5865	C11	SLES	1	21.0004	33.0246	5.23617	CTL2	5862	5866	5867	5868	-0.18	
-5866	H11	SLES	1	20.2037	33.3643	4.53402	HAL2	5865	0	0	0	0.09	
-5867	H11	SLES	1	21.7388	32.4092	4.67176	HAL2	5865	0	0	0	0.09	
-5868	C12	SLES	1	20.4207	32.2674	6.43427	CTL3	5865	5869	5870	5871	-0.27	
-5869	H12	SLES	1	19.3176	32.216	6.35312	HAL3	5868	0	0	0	0.09	
-5870	H12	SLES	1	20.8632	31.2538	6.49264	HAL3	5868	0	0	0	0.09	
-5871	H12	SLES	1	20.6467	32.7706	7.40643	HAL3	5868	0	0	0	0.09	
-5872	NA	SLES	1	19.3483	57.3392	1.06607	NA	0	0	0	0	1	
-5873	S	SLES	1	18.2257	56.9935	3.85795	SL	5874	5875	5876	5877	1.33	
-5874	OS1	SLES	1	18.106	55.6642	3.23513	OSL	5873	5878	0	0	-0.28	
-5875	OS2	SLES	1	17.4453	57.5918	2.79793	O2L	5873	0	0	0	-0.65	
-5876	OS3	SLES	1	19.6545	56.9978	3.64392	O2L	5873	0	0	0	-0.65	
-5877	OS4	SLES	1	17.6866	56.8814	5.18407	O2L	5873	0	0	0	-0.65	
-5878	C2	SLES	1	17.6229	54.5099	3.7967	CC32A	5874	5879	5880	5881	-0.11	
-5879	H2A	SLES	1	16.5542	54.6389	4.11333	HCA2	5878	0	0	0	0.09	
-5880	H2B	SLES	1	18.245	54.2022	4.67867	HCA2	5878	0	0	0	0.09	
-5881	C1	SLES	1	17.7508	53.5057	2.63107	CC32A	5878	5882	5883	5884	-0.01	
-5882	H1B	SLES	1	17.151	53.841	1.74556	HCA2	5881	0	0	0	0.09	
-5883	H1A	SLES	1	18.8179	53.3926	2.31853	HCA2	5881	0	0	0	0.09	
-5884	O1	SLES	1	17.3388	52.1926	2.83155	OC30A	5881	5885	0	0	-0.34	
-5885	C2	SLES	1	16.8013	51.8503	4.09598	CC32A	5884	5886	5887	5888	-0.01	
-5886	H2A	SLES	1	15.8901	52.476	4.31868	HCA2	5885	0	0	0	0.09	
-5887	H2B	SLES	1	17.5467	52.0113	4.90961	HCA2	5885	0	0	0	0.09	
-5888	C1	SLES	1	16.472	50.4418	3.48059	CC32A	5885	5889	5890	5891	-0.01	
-5889	H1B	SLES	1	15.4019	50.6042	3.66535	HCA2	5888	0	0	0	0.09	
-5890	H1A	SLES	1	17.2471	50.1267	4.26947	HCA2	5888	0	0	0	0.09	
-5891	O1	SLES	1	16.3779	49.0465	3.35304	OC30A	5888	5892	0	0	-0.34	
-5892	C1	SLES	1	15.6986	48.3247	4.37057	CTL2	5891	5893	5894	5895	-0.18	
-5893	H11	SLES	1	14.6997	48.7369	4.68623	HAL2	5892	0	0	0	0.09	
-5894	H12	SLES	1	16.3317	48.259	5.29107	HAL2	5892	0	0	0	0.09	
-5895	C2	SLES	1	15.5587	46.9778	3.66253	CTL2	5892	5896	5897	5898	-0.18	
-5896	H21	SLES	1	14.8824	47.0098	2.77467	HAL2	5895	0	0	0	0.09	
-5897	H22	SLES	1	16.5397	46.5398	3.35588	HAL2	5895	0	0	0	0.09	
-5898	C3	SLES	1	14.9562	46.1203	4.7008	CTL2	5895	5899	5900	5901	-0.18	
-5899	H31	SLES	1	13.9833	46.6206	4.95892	HAL2	5898	0	0	0	0.09	
-5900	H32	SLES	1	15.687	46.1439	5.5559	HAL2	5898	0	0	0	0.09	
-5901	C4	SLES	1	14.6496	44.6817	4.43708	CTL2	5898	5902	5903	5904	-0.18	
-5902	H41	SLES	1	13.9214	44.5681	3.59652	HAL2	5901	0	0	0	0.09	
-5903	H42	SLES	1	15.571	44.1108	4.17456	HAL2	5901	0	0	0	0.09	
-5904	C5	SLES	1	14.0697	44.3302	5.81373	CTL2	5901	5905	5906	5907	-0.18	
-5905	H51	SLES	1	13.1916	44.9881	6.05055	HAL2	5904	0	0	0	0.09	
-5906	H52	SLES	1	14.8214	44.5351	6.62078	HAL2	5904	0	0	0	0.09	
-5907	C6	SLES	1	13.6157	42.9493	6.01449	CTL2	5904	5908	5909	5910	-0.18	
-5908	H61	SLES	1	12.5409	43.0157	6.33587	HAL2	5907	0	0	0	0.09	
-5909	H62	SLES	1	14.1753	42.5612	6.90761	HAL2	5907	0	0	0	0.09	
-5910	C7	SLES	1	13.7654	41.9906	4.82701	CTL2	5907	5911	5912	5913	-0.18	
-5911	H71	SLES	1	13.1663	42.2807	3.93175	HAL2	5910	0	0	0	0.09	
-5912	H72	SLES	1	14.8208	41.8206	4.51089	HAL2	5910	0	0	0	0.09	
-5913	C8	SLES	1	13.2056	40.7617	5.44665	CTL2	5910	5914	5915	5916	-0.18	
-5914	H81	SLES	1	12.1536	41.0148	5.7584	HAL2	5913	0	0	0	0.09	
-5915	H82	SLES	1	13.8437	40.5457	6.35037	HAL2	5913	0	0	0	0.09	
-5916	C9	SLES	1	13.1257	39.4941	4.66968	CTL2	5913	5917	5918	5919	-0.18	
-5917	H91	SLES	1	12.4854	39.6341	3.77022	HAL2	5916	0	0	0	0.09	
-5918	H92	SLES	1	14.1431	39.1736	4.35124	HAL2	5916	0	0	0	0.09	
-5919	C10	SLES	1	12.503	38.572	5.71593	CTL2	5916	5920	5921	5922	-0.18	
-5920	H10	SLES	1	11.5143	38.9872	6.05105	HAL2	5919	0	0	0	0.09	
-5921	H10	SLES	1	13.1598	38.5301	6.62718	HAL2	5919	0	0	0	0.09	
-5922	C11	SLES	1	12.2712	37.1669	5.26386	CTL2	5919	5923	5924	5925	-0.18	
-5923	H11	SLES	1	11.6019	37.211	4.37324	HAL2	5922	0	0	0	0.09	
-5924	H11	SLES	1	13.2574	36.7512	4.9524	HAL2	5922	0	0	0	0.09	
-5925	C12	SLES	1	11.6467	36.3635	6.4082	CTL3	5922	5926	5927	5928	-0.27	
-5926	H12	SLES	1	10.6478	35.9908	6.10927	HAL3	5925	0	0	0	0.09	
-5927	H12	SLES	1	12.3146	35.5274	6.6933	HAL3	5925	0	0	0	0.09	
-5928	H12	SLES	1	11.4959	36.9794	7.32869	HAL3	5925	0	0	0	0.09	
-5929	NA	SLES	1	4.94539	60.3505	1.29512	NA	0	0	0	0	1	
-5930	S	SLES	1	3.30641	59.7343	3.76663	SL	5931	5932	5933	5934	1.33	
-5931	OS1	SLES	1	3.7079	58.4182	3.24152	OSL	5930	5935	0	0	-0.28	
-5932	OS2	SLES	1	2.67937	60.0762	2.50942	O2L	5930	0	0	0	-0.65	
-5933	OS3	SLES	1	4.68771	60.1388	3.89211	O2L	5930	0	0	0	-0.65	
-5934	OS4	SLES	1	2.50826	59.49	4.93502	O2L	5930	0	0	0	-0.65	
-5935	C2	SLES	1	3.43217	57.181	3.76549	CC32A	5931	5936	5937	5938	-0.11	
-5936	H2A	SLES	1	2.32471	57.0071	3.81277	HCA2	5935	0	0	0	0.09	
-5937	H2B	SLES	1	3.87713	57.0712	4.78996	HCA2	5935	0	0	0	0.09	
-5938	C1	SLES	1	4.10997	56.2402	2.74609	CC32A	5935	5939	5940	5941	-0.01	
-5939	H1B	SLES	1	3.67918	56.3828	1.72118	HCA2	5938	0	0	0	0.09	
-5940	H1A	SLES	1	5.21067	56.429	2.70114	HCA2	5938	0	0	0	0.09	
-5941	O1	SLES	1	4.03229	54.8666	2.94941	OC30A	5938	5942	0	0	-0.34	
-5942	C2	SLES	1	3.31321	54.4012	4.07685	CC32A	5941	5943	5944	5945	-0.01	
-5943	H2A	SLES	1	2.24105	54.7473	4.03004	HCA2	5942	0	0	0	0.09	
-5944	H2B	SLES	1	3.76298	54.7751	5.02632	HCA2	5942	0	0	0	0.09	
-5945	C1	SLES	1	3.53928	52.9501	3.51641	CC32A	5942	5946	5947	5948	-0.01	
-5946	H1B	SLES	1	2.45393	52.8064	3.43287	HCA2	5945	0	0	0	0.09	
-5947	H1A	SLES	1	4.15154	52.8752	4.48693	HCA2	5945	0	0	0	0.09	
-5948	O1	SLES	1	3.86051	51.5835	3.48255	OC30A	5945	5949	0	0	-0.34	
-5949	C1	SLES	1	3.17286	50.7111	4.36801	CTL2	5948	5950	5951	5952	-0.18	
-5950	H11	SLES	1	2.054	50.8287	4.40794	HAL2	5949	0	0	0	0.09	
-5951	H12	SLES	1	3.55313	50.8371	5.413	HAL2	5949	0	0	0	0.09	
-5952	C2	SLES	1	3.58135	49.3714	3.75703	CTL2	5949	5953	5954	5955	-0.18	
-5953	H21	SLES	1	3.16205	49.2013	2.73629	HAL2	5952	0	0	0	0.09	
-5954	H22	SLES	1	4.6884	49.2242	3.72373	HAL2	5952	0	0	0	0.09	
-5955	C3	SLES	1	2.99681	48.3908	4.69137	CTL2	5952	5956	5957	5958	-0.18	
-5956	H31	SLES	1	1.89249	48.5996	4.67454	HAL2	5955	0	0	0	0.09	
-5957	H32	SLES	1	3.45991	48.6292	5.68861	HAL2	5955	0	0	0	0.09	
-5958	C4	SLES	1	3.16556	46.9213	4.47946	CTL2	5955	5959	5960	5961	-0.18	
-5959	H41	SLES	1	2.72561	46.5974	3.5041	HAL2	5958	0	0	0	0.09	
-5960	H42	SLES	1	4.24218	46.6302	4.48566	HAL2	5958	0	0	0	0.09	
-5961	C5	SLES	1	2.38181	46.4362	5.70648	CTL2	5958	5962	5963	5964	-0.18	
-5962	H51	SLES	1	1.32829	46.8227	5.6785	HAL2	5961	0	0	0	0.09	
-5963	H52	SLES	1	2.82718	46.8539	6.64752	HAL2	5961	0	0	0	0.09	
-5964	C6	SLES	1	2.28334	44.9857	5.90571	CTL2	5961	5965	5966	5967	-0.18	
-5965	H61	SLES	1	1.18593	44.7502	5.96116	HAL2	5964	0	0	0	0.09	
-5966	H62	SLES	1	2.68906	44.7814	6.93282	HAL2	5964	0	0	0	0.09	
-5967	C7	SLES	1	2.97445	44.0946	4.86656	CTL2	5964	5968	5969	5970	-0.18	
-5968	H71	SLES	1	2.55892	44.1939	3.83598	HAL2	5967	0	0	0	0.09	
-5969	H72	SLES	1	4.08054	44.2254	4.81997	HAL2	5967	0	0	0	0.09	
-5970	C8	SLES	1	2.63324	42.7649	5.43489	CTL2	5967	5971	5972	5973	-0.18	
-5971	H81	SLES	1	1.50883	42.7148	5.47136	HAL2	5970	0	0	0	0.09	
-5972	H82	SLES	1	3.06285	42.7479	6.4768	HAL2	5970	0	0	0	0.09	
-5973	C9	SLES	1	3.09307	41.5174	4.76475	CTL2	5970	5974	5975	5976	-0.18	
-5974	H91	SLES	1	2.68081	41.461	3.73249	HAL2	5973	0	0	0	0.09	
-5975	H92	SLES	1	4.20506	41.4931	4.71909	HAL2	5973	0	0	0	0.09	
-5976	C10	SLES	1	2.50526	40.4692	5.70728	CTL2	5973	5977	5978	5979	-0.18	
-5977	H10	SLES	1	1.39024	40.5928	5.7682	HAL2	5976	0	0	0	0.09	
-5978	H10	SLES	1	2.90336	40.6245	6.74693	HAL2	5976	0	0	0	0.09	
-5979	C11	SLES	1	2.78087	39.0506	5.32758	CTL2	5976	5980	5981	5982	-0.18	
-5980	H11	SLES	1	2.36546	38.8941	4.30484	HAL2	5979	0	0	0	0.09	
-5981	H11	SLES	1	3.88789	38.9262	5.28905	HAL2	5979	0	0	0	0.09	
-5982	C12	SLES	1	2.13512	38.1169	6.35525	CTL3	5979	5983	5984	5985	-0.27	
-5983	H12	SLES	1	1.37989	37.4744	5.86241	HAL3	5982	0	0	0	0.09	
-5984	H12	SLES	1	2.91264	37.5063	6.85427	HAL3	5982	0	0	0	0.09	
-5985	H12	SLES	1	1.60145	38.6759	7.16284	HAL3	5982	0	0	0	0.09	
-5986	NA	SLES	1	-9.84214	59.8012	1.63129	NA	0	0	0	0	1	
-5987	S	SLES	1	-11.7913	58.636	3.63562	SL	5988	5989	5990	5991	1.33	
-5988	OS1	SLES	1	-10.9252	57.5084	3.25114	OSL	5987	5992	0	0	-0.28	
-5989	OS2	SLES	1	-12.1658	58.8555	2.25642	O2L	5987	0	0	0	-0.65	
-5990	OS3	SLES	1	-10.6498	59.3968	4.08887	O2L	5987	0	0	0	-0.65	
-5991	OS4	SLES	1	-12.7475	58.1238	4.5765	O2L	5987	0	0	0	-0.65	
-5992	C2	SLES	1	-10.964	56.2184	3.71532	CC32A	5988	5993	5994	5995	-0.11	
-5993	H2A	SLES	1	-11.9567	55.7454	3.4923	HCA2	5992	0	0	0	0.09	
-5994	H2B	SLES	1	-10.7671	56.1836	4.81968	HCA2	5992	0	0	0	0.09	
-5995	C1	SLES	1	-9.82613	55.552	2.9124	CC32A	5992	5996	5997	5998	-0.01	
-5996	H1B	SLES	1	-10.0188	55.6222	1.81046	HCA2	5995	0	0	0	0.09	
-5997	H1A	SLES	1	-8.84443	56.0374	3.13572	HCA2	5995	0	0	0	0.09	
-5998	O1	SLES	1	-9.56545	54.2013	3.11719	OC30A	5995	5999	0	0	-0.34	
-5999	C2	SLES	1	-10.3768	53.5006	4.04213	CC32A	5998	6000	6001	6002	-0.01	
-6000	H2A	SLES	1	-11.4585	53.5412	3.72645	HCA2	5999	0	0	0	0.09	
-6001	H2B	SLES	1	-10.2918	53.9353	5.06554	HCA2	5999	0	0	0	0.09	
-6002	C1	SLES	1	-9.62772	52.1971	3.58293	CC32A	5999	6003	6004	6005	-0.01	
-6003	H1B	SLES	1	-10.5767	51.7656	3.23798	HCA2	6002	0	0	0	0.09	
-6004	H1A	SLES	1	-9.27199	52.2444	4.67545	HCA2	6002	0	0	0	0.09	
-6005	O1	SLES	1	-8.94085	50.9745	3.65579	OC30A	6002	6006	0	0	-0.34	
-6006	C1	SLES	1	-9.55135	49.9037	4.36191	CTL2	6005	6007	6008	6009	-0.18	
-6007	H11	SLES	1	-10.6339	49.7078	4.12327	HAL2	6006	0	0	0	0.09	
-6008	H12	SLES	1	-9.48515	50.0765	5.46565	HAL2	6006	0	0	0	0.09	
-6009	C2	SLES	1	-8.6515	48.7598	3.89638	CTL2	6006	6010	6011	6012	-0.18	
-6010	H21	SLES	1	-8.7476	48.5327	2.80742	HAL2	6009	0	0	0	0.09	
-6011	H22	SLES	1	-7.57329	48.9237	4.13913	HAL2	6009	0	0	0	0.09	
-6012	C3	SLES	1	-9.14784	47.6108	4.67734	CTL2	6009	6013	6014	6015	-0.18	
-6013	H31	SLES	1	-10.2285	47.5093	4.38549	HAL2	6012	0	0	0	0.09	
-6014	H32	SLES	1	-9.02435	47.9167	5.75297	HAL2	6012	0	0	0	0.09	
-6015	C4	SLES	1	-8.53111	46.2564	4.54217	CTL2	6012	6016	6017	6018	-0.18	
-6016	H41	SLES	1	-8.61459	45.8737	3.49511	HAL2	6015	0	0	0	0.09	
-6017	H42	SLES	1	-7.45071	46.2718	4.81852	HAL2	6015	0	0	0	0.09	
-6018	C5	SLES	1	-9.42113	45.5141	5.54812	CTL2	6015	6019	6020	6021	-0.18	
-6019	H51	SLES	1	-10.5013	45.5978	5.25447	HAL2	6018	0	0	0	0.09	
-6020	H52	SLES	1	-9.35043	45.9902	6.56142	HAL2	6018	0	0	0	0.09	
-6021	C6	SLES	1	-9.15741	44.0841	5.74533	CTL2	6018	6022	6023	6024	-0.18	
-6022	H61	SLES	1	-10.1256	43.5542	5.5339	HAL2	6021	0	0	0	0.09	
-6023	H62	SLES	1	-8.97136	43.9476	6.84444	HAL2	6021	0	0	0	0.09	
-6024	C7	SLES	1	-8.01618	43.47	4.92557	CTL2	6021	6025	6026	6027	-0.18	
-6025	H71	SLES	1	-8.18129	43.5031	3.82273	HAL2	6024	0	0	0	0.09	
-6026	H72	SLES	1	-7.01295	43.9013	5.14976	HAL2	6024	0	0	0	0.09	
-6027	C8	SLES	1	-8.10084	42.0709	5.41845	CTL2	6024	6028	6029	6030	-0.18	
-6028	H81	SLES	1	-9.14109	41.7127	5.17837	HAL2	6027	0	0	0	0.09	
-6029	H82	SLES	1	-7.94824	42.1201	6.53413	HAL2	6027	0	0	0	0.09	
-6030	C9	SLES	1	-7.16462	41.0326	4.90642	CTL2	6027	6031	6032	6033	-0.18	
-6031	H91	SLES	1	-7.283	40.9172	3.8058	HAL2	6030	0	0	0	0.09	
-6032	H92	SLES	1	-6.11299	41.3165	5.136	HAL2	6030	0	0	0	0.09	
-6033	C10	SLES	1	-7.64717	39.8175	5.69583	CTL2	6030	6034	6035	6036	-0.18	
-6034	H10	SLES	1	-8.73289	39.6273	5.47836	HAL2	6033	0	0	0	0.09	
-6035	H10	SLES	1	-7.57124	40.0236	6.7982	HAL2	6033	0	0	0	0.09	
-6036	C11	SLES	1	-6.90477	38.5498	5.42332	CTL2	6033	6037	6038	6039	-0.18	
-6037	H11	SLES	1	-7.00054	38.3369	4.33311	HAL2	6036	0	0	0	0.09	
-6038	H11	SLES	1	-5.83164	38.7358	5.66054	HAL2	6036	0	0	0	0.09	
-6039	C12	SLES	1	-7.49359	37.4244	6.27877	CTL3	6036	6040	6041	6042	-0.27	
-6040	H12	SLES	1	-7.89808	36.625	5.62805	HAL3	6039	0	0	0	0.09	
-6041	H12	SLES	1	-6.72138	37.0262	6.96544	HAL3	6039	0	0	0	0.09	
-6042	H12	SLES	1	-8.34017	37.7744	6.9193	HAL3	6039	0	0	0	0.09	
-6043	NA	SLES	1	-24.1616	55.6507	2.05345	NA	0	0	0	0	1	
-6044	S	SLES	1	-26.0906	53.7966	3.47315	SL	6045	6046	6047	6048	1.33	
-6045	OS1	SLES	1	-24.8762	52.99	3.26337	OSL	6044	6049	0	0	-0.28	
-6046	OS2	SLES	1	-26.1972	54.0566	2.05481	O2L	6044	0	0	0	-0.65	
-6047	OS3	SLES	1	-25.3435	54.7807	4.22185	O2L	6044	0	0	0	-0.65	
-6048	OS4	SLES	1	-27.0445	52.9486	4.13104	O2L	6044	0	0	0	-0.65	
-6049	C2	SLES	1	-24.6472	51.694	3.64934	CC32A	6045	6050	6051	6052	-0.11	
-6050	H2A	SLES	1	-25.3887	51.0001	3.17206	HCA2	6049	0	0	0	0.09	
-6051	H2B	SLES	1	-24.6982	51.5932	4.76595	HCA2	6049	0	0	0	0.09	
-6052	C1	SLES	1	-23.2183	51.447	3.11954	CC32A	6049	6053	6054	6055	-0.01	
-6053	H1B	SLES	1	-23.1741	51.5825	2.00778	HCA2	6052	0	0	0	0.09	
-6054	H1A	SLES	1	-22.4907	52.1497	3.59497	HCA2	6052	0	0	0	0.09	
-6055	O1	SLES	1	-22.6353	50.2011	3.32433	OC30A	6052	6056	0	0	-0.34	
-6056	C2	SLES	1	-23.3967	49.2129	3.99402	CC32A	6055	6057	6058	6059	-0.01	
-6057	H2A	SLES	1	-24.3472	48.9972	3.42699	HCA2	6056	0	0	0	0.09	
-6058	H2B	SLES	1	-23.668	49.5406	5.02482	HCA2	6056	0	0	0	0.09	
-6059	C1	SLES	1	-22.2248	48.2148	3.67597	CC32A	6056	6060	6061	6062	-0.01	
-6060	H1B	SLES	1	-22.9103	47.5857	3.09291	HCA2	6059	0	0	0	0.09	
-6061	H1A	SLES	1	-22.1484	48.2363	4.82318	HCA2	6059	0	0	0	0.09	
-6062	O1	SLES	1	-21.2516	47.2196	3.86185	OC30A	6059	6063	0	0	-0.34	
-6063	C1	SLES	1	-21.6718	45.9545	4.35265	CTL2	6062	6064	6065	6066	-0.18	
-6064	H11	SLES	1	-22.5726	45.5037	3.85009	HAL2	6063	0	0	0	0.09	
-6065	H12	SLES	1	-21.9037	46.0177	5.44568	HAL2	6063	0	0	0	0.09	
-6066	C2	SLES	1	-20.4033	45.1501	4.07184	CTL2	6063	6067	6068	6069	-0.18	
-6067	H21	SLES	1	-20.1871	45.0253	2.98358	HAL2	6066	0	0	0	0.09	
-6068	H22	SLES	1	-19.4983	45.5686	4.57597	HAL2	6066	0	0	0	0.09	
-6069	C3	SLES	1	-20.7114	43.8325	4.6596	CTL2	6066	6070	6071	6072	-0.18	
-6070	H31	SLES	1	-21.6256	43.4784	4.10992	HAL2	6069	0	0	0	0.09	
-6071	H32	SLES	1	-20.9215	44.0415	5.74492	HAL2	6069	0	0	0	0.09	
-6072	C4	SLES	1	-19.72	42.7151	4.62127	CTL2	6069	6073	6074	6075	-0.18	
-6073	H41	SLES	1	-19.4569	42.4401	3.57012	HAL2	6072	0	0	0	0.09	
-6074	H42	SLES	1	-18.778	42.9883	5.15224	HAL2	6072	0	0	0	0.09	
-6075	C5	SLES	1	-20.5609	41.6573	5.34859	CTL2	6072	6076	6077	6078	-0.18	
-6076	H51	SLES	1	-21.5271	41.4807	4.80511	HAL2	6075	0	0	0	0.09	
-6077	H52	SLES	1	-20.8551	42.0219	6.36787	HAL2	6075	0	0	0	0.09	
-6078	C6	SLES	1	-19.9508	40.337	5.54343	CTL2	6075	6079	6080	6081	-0.18	
-6079	H61	SLES	1	-20.6557	39.594	5.08094	HAL2	6078	0	0	0	0.09	
-6080	H62	SLES	1	-19.9816	40.1365	6.64804	HAL2	6078	0	0	0	0.09	
-6081	C7	SLES	1	-18.5299	40.1429	5.00033	CTL2	6078	6082	6083	6084	-0.18	
-6082	H71	SLES	1	-18.4492	40.2503	3.89284	HAL2	6081	0	0	0	0.09	
-6083	H72	SLES	1	-17.767	40.7994	5.47955	HAL2	6081	0	0	0	0.09	
-6084	C8	SLES	1	-18.3189	38.727	5.39838	CTL2	6081	6085	6086	6087	-0.18	
-6085	H81	SLES	1	-19.1336	38.1322	4.89785	HAL2	6084	0	0	0	0.09	
-6086	H82	SLES	1	-18.4376	38.6936	6.51875	HAL2	6084	0	0	0	0.09	
-6087	C9	SLES	1	-17.0363	38.0385	5.08579	CTL2	6084	6088	6089	6090	-0.18	
-6088	H91	SLES	1	-16.8701	38.016	3.98553	HAL2	6087	0	0	0	0.09	
-6089	H92	SLES	1	-16.1874	38.5662	5.57576	HAL2	6087	0	0	0	0.09	
-6090	C10	SLES	1	-17.3145	36.6603	5.6823	CTL2	6087	6091	6092	6093	-0.18	
-6091	H10	SLES	1	-18.2245	36.2119	5.19974	HAL2	6090	0	0	0	0.09	
-6092	H10	SLES	1	-17.5464	36.7581	6.77777	HAL2	6090	0	0	0	0.09	
-6093	C11	SLES	1	-16.2002	35.6743	5.54507	CTL2	6090	6094	6095	6096	-0.18	
-6094	H11	SLES	1	-15.9875	35.5634	4.45627	HAL2	6093	0	0	0	0.09	
-6095	H11	SLES	1	-15.305	36.1133	6.04354	HAL2	6093	0	0	0	0.09	
-6096	C12	SLES	1	-16.6177	34.3466	6.18354	CTL3	6093	6097	6098	6099	-0.27	
-6097	H12	SLES	1	-16.6228	33.5438	5.4209	HAL3	6096	0	0	0	0.09	
-6098	H12	SLES	1	-15.936	34.0968	7.01981	HAL3	6096	0	0	0	0.09	
-6099	H12	SLES	1	-17.6488	34.3859	6.61338	HAL3	6096	0	0	0	0.09	
-6100	NA	SLES	1	-37.1442	48.057	2.53509	NA	0	0	0	0	1	
-6101	S	SLES	1	-38.6826	45.5593	3.28943	SL	6102	6103	6104	6105	1.33	
-6102	OS1	SLES	1	-37.2696	45.1438	3.27745	OSL	6101	6106	0	0	-0.28	
-6103	OS2	SLES	1	-38.5922	46.0062	1.91728	O2L	6101	0	0	0	-0.65	
-6104	OS3	SLES	1	-38.4073	46.5717	4.28267	O2L	6101	0	0	0	-0.65	
-6105	OS4	SLES	1	-39.455	44.3968	3.62664	O2L	6101	0	0	0	-0.65	
-6106	C2	SLES	1	-36.751	43.9086	3.5717	CC32A	6102	6107	6108	6109	-0.11	
-6107	H2A	SLES	1	-37.156	43.1305	2.87217	HCA2	6106	0	0	0	0.09	
-6108	H2B	SLES	1	-36.9788	43.6204	4.63216	HCA2	6106	0	0	0	0.09	
-6109	C1	SLES	1	-35.239	44.1332	3.35451	CC32A	6106	6110	6111	6112	-0.01	
-6110	H1B	SLES	1	-35.0285	44.452	2.30074	HCA2	6109	0	0	0	0.09	
-6111	H1A	SLES	1	-34.8492	44.9165	4.05002	HCA2	6109	0	0	0	0.09	
-6112	O1	SLES	1	-34.3688	43.0676	3.55784	OC30A	6109	6113	0	0	-0.34	
-6113	C2	SLES	1	-34.9222	41.8203	3.93555	CC32A	6112	6114	6115	6116	-0.01	
-6114	H2A	SLES	1	-35.6453	41.4567	3.15048	HCA2	6113	0	0	0	0.09	
-6115	H2B	SLES	1	-35.465	41.8958	4.90671	HCA2	6113	0	0	0	0.09	
-6116	C1	SLES	1	-33.4732	41.2287	3.78969	CC32A	6113	6117	6118	6119	-0.01	
-6117	H1B	SLES	1	-33.8247	40.5438	3.00679	HCA2	6116	0	0	0	0.09	
-6118	H1A	SLES	1	-33.6227	41.0853	4.92083	HCA2	6116	0	0	0	0.09	
-6119	O1	SLES	1	-32.306	40.507	4.08781	OC30A	6116	6120	0	0	-0.34	
-6120	C1	SLES	1	-32.4253	39.1143	4.34081	CTL2	6119	6121	6122	6123	-0.18	
-6121	H11	SLES	1	-33.0457	38.5297	3.60558	HAL2	6120	0	0	0	0.09	
-6122	H12	SLES	1	-32.866	38.9384	5.35436	HAL2	6120	0	0	0	0.09	
-6123	C2	SLES	1	-30.9488	38.7264	4.27238	CTL2	6120	6124	6125	6126	-0.18	
-6124	H21	SLES	1	-30.5058	38.8388	3.25369	HAL2	6123	0	0	0	0.09	
-6125	H22	SLES	1	-30.3154	39.2811	5.0068	HAL2	6123	0	0	0	0.09	
-6126	C3	SLES	1	-30.9658	37.2976	4.63926	CTL2	6123	6127	6128	6129	-0.18	
-6127	H31	SLES	1	-31.618	36.809	3.86514	HAL2	6126	0	0	0	0.09	
-6128	H32	SLES	1	-31.427	37.2674	5.66499	HAL2	6126	0	0	0	0.09	
-6129	C4	SLES	1	-29.704	36.5003	4.71181	CTL2	6126	6130	6131	6132	-0.18	
-6130	H41	SLES	1	-29.1804	36.4761	3.72441	HAL2	6129	0	0	0	0.09	
-6131	H42	SLES	1	-28.9988	36.9222	5.46583	HAL2	6129	0	0	0	0.09	
-6132	C5	SLES	1	-30.3226	35.1566	5.12044	CTL2	6129	6133	6134	6135	-0.18	
-6133	H51	SLES	1	-31.0763	34.8224	4.35864	HAL2	6132	0	0	0	0.09	
-6134	H52	SLES	1	-30.8955	35.2631	6.07904	HAL2	6132	0	0	0	0.09	
-6135	C6	SLES	1	-29.4035	34.029	5.31269	CTL2	6132	6136	6137	6138	-0.18	
-6136	H61	SLES	1	-29.7628	33.2112	4.63074	HAL2	6135	0	0	0	0.09	
-6137	H62	SLES	1	-29.5812	33.653	6.35595	HAL2	6135	0	0	0	0.09	
-6138	C7	SLES	1	-27.9119	34.3038	5.08616	CTL2	6135	6139	6140	6141	-0.18	
-6139	H71	SLES	1	-27.6598	34.6048	4.04189	HAL2	6138	0	0	0	0.09	
-6140	H72	SLES	1	-27.4762	35.0518	5.7886	HAL2	6138	0	0	0	0.09	
-6141	C8	SLES	1	-27.3777	32.948	5.37592	CTL2	6138	6142	6143	6144	-0.18	
-6142	H81	SLES	1	-27.876	32.2486	4.64742	HAL2	6141	0	0	0	0.09	
-6143	H82	SLES	1	-27.6894	32.7055	6.43163	HAL2	6141	0	0	0	0.09	
-6144	C9	SLES	1	-25.9157	32.6792	5.2916	CTL2	6141	6145	6146	6147	-0.18	
-6145	H91	SLES	1	-25.5471	32.8777	4.26039	HAL2	6144	0	0	0	0.09	
-6146	H92	SLES	1	-25.364	33.3254	6.01075	HAL2	6144	0	0	0	0.09	
-6147	C10	SLES	1	-25.8887	31.1992	5.66754	CTL2	6144	6148	6149	6150	-0.18	
-6148	H10	SLES	1	-26.5223	30.6111	4.94983	HAL2	6147	0	0	0	0.09	
-6149	H10	SLES	1	-26.3401	31.0558	6.68693	HAL2	6147	0	0	0	0.09	
-6150	C11	SLES	1	-24.5312	30.575	5.68517	CTL2	6147	6151	6152	6153	-0.18	
-6151	H11	SLES	1	-24.0954	30.6998	4.66659	HAL2	6150	0	0	0	0.09	
-6152	H11	SLES	1	-23.9119	31.1475	6.41397	HAL2	6150	0	0	0	0.09	
-6153	C12	SLES	1	-24.6575	29.0997	6.07556	CTL3	6150	6154	6155	6156	-0.27	
-6154	H12	SLES	1	-24.2865	28.4567	5.254	HAL3	6153	0	0	0	0.09	
-6155	H12	SLES	1	-24.1019	28.9067	7.01397	HAL3	6153	0	0	0	0.09	
-6156	H12	SLES	1	-25.717	28.7979	6.2643	HAL3	6153	0	0	0	0.09	
-6157	NA	SLES	1	-47.9515	37.3926	3.04594	NA	0	0	0	0	1	
-6158	S	SLES	1	-48.7855	34.4812	3.09601	SL	6159	6160	6161	6162	1.33	
-6159	OS1	SLES	1	-47.3259	34.4597	3.29248	OSL	6158	6163	0	0	-0.28	
-6160	OS2	SLES	1	-48.6359	35.2036	1.85246	O2L	6158	0	0	0	-0.65	
-6161	OS3	SLES	1	-48.9609	35.3082	4.26753	O2L	6158	0	0	0	-0.65	
-6162	OS4	SLES	1	-49.225	33.1142	3.09498	O2L	6158	0	0	0	-0.65	
-6163	C2	SLES	1	-46.5169	33.3695	3.48727	CC32A	6159	6164	6165	6166	-0.11	
-6164	H2A	SLES	1	-46.5741	32.6705	2.61147	HCA2	6163	0	0	0	0.09	
-6165	H2B	SLES	1	-46.7985	32.8239	4.42672	HCA2	6163	0	0	0	0.09	
-6166	C1	SLES	1	-45.1213	34.0196	3.60253	CC32A	6163	6167	6168	6169	-0.01	
-6167	H1B	SLES	1	-44.8658	34.5881	2.67094	HCA2	6166	0	0	0	0.09	
-6168	H1A	SLES	1	-45.0793	34.7203	4.47229	HCA2	6166	0	0	0	0.09	
-6169	O1	SLES	1	-44.0161	33.1995	3.80303	OC30A	6166	6170	0	0	-0.34	
-6170	C2	SLES	1	-44.2294	31.8013	3.87038	CC32A	6169	6171	6172	6173	-0.01	
-6171	H2A	SLES	1	-44.6964	31.428	2.9143	HCA2	6170	0	0	0	0.09	
-6172	H2B	SLES	1	-44.9026	31.535	4.71864	HCA2	6170	0	0	0	0.09	
-6173	C1	SLES	1	-42.6655	31.6501	3.91693	CC32A	6170	6174	6175	6176	-0.01	
-6174	H1B	SLES	1	-42.6875	31.0699	2.98501	HCA2	6173	0	0	0	0.09	
-6175	H1A	SLES	1	-42.9254	31.2475	4.96227	HCA2	6173	0	0	0	0.09	
-6176	O1	SLES	1	-41.3932	31.2129	4.31945	OC30A	6173	6177	0	0	-0.34	
-6177	C1	SLES	1	-41.1358	29.8159	4.32715	CTL2	6176	6178	6179	6180	-0.18	
-6178	H11	SLES	1	-41.4481	29.2507	3.40509	HAL2	6177	0	0	0	0.09	
-6179	H12	SLES	1	-41.645	29.3304	5.19743	HAL2	6177	0	0	0	0.09	
-6180	C2	SLES	1	-39.6163	29.8485	4.4854	CTL2	6177	6181	6182	6183	-0.18	
-6181	H21	SLES	1	-39.0856	30.2758	3.6008	HAL2	6180	0	0	0	0.09	
-6182	H22	SLES	1	-39.2828	30.3892	5.40457	HAL2	6180	0	0	0	0.09	
-6183	C3	SLES	1	-39.2677	28.4212	4.61761	CTL2	6180	6184	6185	6186	-0.18	
-6184	H31	SLES	1	-39.6326	27.9462	3.66653	HAL2	6183	0	0	0	0.09	
-6185	H32	SLES	1	-39.8405	28.0653	5.51818	HAL2	6183	0	0	0	0.09	
-6186	C4	SLES	1	-37.8519	27.9828	4.80808	CTL2	6183	6187	6188	6189	-0.18	
-6187	H41	SLES	1	-37.2096	28.2958	3.94829	HAL2	6186	0	0	0	0.09	
-6188	H42	SLES	1	-37.4145	28.4128	5.7396	HAL2	6186	0	0	0	0.09	
-6189	C5	SLES	1	-38.1031	26.4705	4.878	CTL2	6186	6190	6191	6192	-0.18	
-6190	H51	SLES	1	-38.6108	26.1123	3.94312	HAL2	6189	0	0	0	0.09	
-6191	H52	SLES	1	-38.8119	26.2281	5.71308	HAL2	6189	0	0	0	0.09	
-6192	C6	SLES	1	-36.9321	25.6068	5.06763	CTL2	6189	6193	6194	6195	-0.18	
-6193	H61	SLES	1	-36.937	24.8788	4.21158	HAL2	6192	0	0	0	0.09	
-6194	H62	SLES	1	-37.1384	24.995	5.98652	HAL2	6192	0	0	0	0.09	
-6195	C7	SLES	1	-35.5691	26.3009	5.17765	CTL2	6192	6196	6197	6198	-0.18	
-6196	H71	SLES	1	-35.2705	26.8616	4.26053	HAL2	6195	0	0	0	0.09	
-6197	H72	SLES	1	-35.4745	26.9789	6.05751	HAL2	6195	0	0	0	0.09	
-6198	C8	SLES	1	-34.7095	25.1018	5.3525	CTL2	6195	6199	6200	6201	-0.18	
-6199	H81	SLES	1	-34.8737	24.4586	4.44282	HAL2	6198	0	0	0	0.09	
-6200	H82	SLES	1	-35.0831	24.5785	6.27824	HAL2	6198	0	0	0	0.09	
-6201	C9	SLES	1	-33.2361	25.2462	5.51091	CTL2	6198	6202	6203	6204	-0.18	
-6202	H91	SLES	1	-32.7992	25.7379	4.61311	HAL2	6201	0	0	0	0.09	
-6203	H92	SLES	1	-33.0044	25.855	6.41364	HAL2	6201	0	0	0	0.09	
-6204	C10	SLES	1	-32.8323	23.7801	5.65247	CTL2	6201	6205	6206	6207	-0.18	
-6205	H10	SLES	1	-33.1585	23.2047	4.74435	HAL2	6204	0	0	0	0.09	
-6206	H10	SLES	1	-33.3619	23.3213	6.53138	HAL2	6204	0	0	0	0.09	
-6207	C11	SLES	1	-31.3686	23.5413	5.83483	CTL2	6204	6208	6209	6210	-0.18	
-6208	H11	SLES	1	-30.8484	23.9783	4.95085	HAL2	6207	0	0	0	0.09	
-6209	H11	SLES	1	-31.0529	24.0961	6.74857	HAL2	6207	0	0	0	0.09	
-6210	C12	SLES	1	-31.1132	22.0368	5.96161	CTL3	6207	6211	6212	6213	-0.27	
-6211	H12	SLES	1	-30.4583	21.6923	5.13781	HAL3	6210	0	0	0	0.09	
-6212	H12	SLES	1	-30.6643	21.81	6.9483	HAL3	6210	0	0	0	0.09	
-6213	H12	SLES	1	-32.0543	21.4375	5.89399	HAL3	6210	0	0	0	0.09	
-6214	NA	SLES	1	-55.8345	24.2463	3.5539	NA	0	0	0	0	1	
-6215	S	SLES	1	-55.7919	21.288	2.90503	SL	6216	6217	6218	6219	1.33	
-6216	OS1	SLES	1	-54.4114	21.6066	3.30754	OSL	6215	6220	0	0	-0.28	
-6217	OS2	SLES	1	-55.7501	22.291	1.86442	O2L	6215	0	0	0	-0.65	
-6218	OS3	SLES	1	-56.3002	21.7463	4.17737	O2L	6215	0	0	0	-0.65	
-6219	OS4	SLES	1	-55.8155	19.8921	2.56948	O2L	6215	0	0	0	-0.65	
-6220	C2	SLES	1	-53.3418	20.7533	3.40135	CC32A	6216	6221	6222	6223	-0.11	
-6221	H2A	SLES	1	-53.118	20.2855	2.40635	HCA2	6220	0	0	0	0.09	
-6222	H2B	SLES	1	-53.5342	19.9513	4.16252	HCA2	6220	0	0	0	0.09	
-6223	C1	SLES	1	-52.2094	21.7029	3.84803	CC32A	6220	6224	6225	6226	-0.01	
-6224	H1B	SLES	1	-52.0492	22.5176	3.09511	HCA2	6223	0	0	0	0.09	
-6225	H1A	SLES	1	-52.4477	22.1696	4.83524	HCA2	6223	0	0	0	0.09	
-6226	O1	SLES	1	-50.9361	21.1791	4.0445	OC30A	6223	6227	0	0	-0.34	
-6227	C2	SLES	1	-50.741	19.7978	3.8026	CC32A	6226	6228	6229	6230	-0.01	
-6228	H2A	SLES	1	-50.995	19.5458	2.73327	HCA2	6227	0	0	0	0.09	
-6229	H2B	SLES	1	-51.3794	19.1754	4.47242	HCA2	6227	0	0	0	0.09	
-6230	C1	SLES	1	-49.2104	20.0568	4.04972	CC32A	6227	6231	6232	6233	-0.01	
-6231	H1B	SLES	1	-48.9825	19.7226	3.02896	HCA2	6230	0	0	0	0.09	
-6232	H1A	SLES	1	-49.4326	19.3701	4.9449	HCA2	6230	0	0	0	0.09	
-6233	O1	SLES	1	-47.906	19.8892	4.54222	OC30A	6230	6234	0	0	-0.34	
-6234	C1	SLES	1	-47.2573	18.6465	4.31251	CTL2	6233	6235	6236	6237	-0.18	
-6235	H11	SLES	1	-47.3114	18.2476	3.26123	HAL2	6234	0	0	0	0.09	
-6236	H12	SLES	1	-47.6781	17.8569	4.98475	HAL2	6234	0	0	0	0.09	
-6237	C2	SLES	1	-45.832	19.0404	4.69751	CTL2	6234	6238	6239	6240	-0.18	
-6238	H21	SLES	1	-45.3727	19.7843	4.00308	HAL2	6237	0	0	0	0.09	
-6239	H22	SLES	1	-45.7504	19.4224	5.74426	HAL2	6237	0	0	0	0.09	
-6240	C3	SLES	1	-45.0984	17.7645	4.596	CTL2	6237	6241	6242	6243	-0.18	
-6241	H31	SLES	1	-45.2261	17.4429	3.52658	HAL2	6240	0	0	0	0.09	
-6242	H32	SLES	1	-45.6199	17.0726	5.31372	HAL2	6240	0	0	0	0.09	
-6243	C4	SLES	1	-43.6384	17.6824	4.90403	CTL2	6240	6244	6245	6246	-0.18	
-6244	H41	SLES	1	-43.0419	18.343	4.22768	HAL2	6243	0	0	0	0.09	
-6245	H42	SLES	1	-43.4269	17.9853	5.95635	HAL2	6243	0	0	0	0.09	
-6246	C5	SLES	1	-43.4467	16.1835	4.6365	CTL2	6243	6247	6248	6249	-0.18	
-6247	H51	SLES	1	-43.7457	15.9301	3.58465	HAL2	6246	0	0	0	0.09	
-6248	H52	SLES	1	-44.1249	15.5773	5.29298	HAL2	6246	0	0	0	0.09	
-6249	C6	SLES	1	-42.0971	15.6388	4.82362	CTL2	6246	6250	6251	6252	-0.18	
-6250	H61	SLES	1	-41.8167	15.153	3.84981	HAL2	6249	0	0	0	0.09	
-6251	H62	SLES	1	-42.1967	14.7993	5.56297	HAL2	6249	0	0	0	0.09	
-6252	C7	SLES	1	-41.008	16.6222	5.26905	CTL2	6249	6253	6254	6255	-0.18	
-6253	H71	SLES	1	-40.8057	17.4376	4.53502	HAL2	6252	0	0	0	0.09	
-6254	H72	SLES	1	-41.1905	17.0792	6.26938	HAL2	6252	0	0	0	0.09	
-6255	C8	SLES	1	-39.857	15.6848	5.32958	CTL2	6252	6256	6257	6258	-0.18	
-6256	H81	SLES	1	-39.7484	15.249	4.2969	HAL2	6255	0	0	0	0.09	
-6257	H82	SLES	1	-40.1423	14.8826	6.06822	HAL2	6255	0	0	0	0.09	
-6258	C9	SLES	1	-38.5079	16.1712	5.72994	CTL2	6255	6259	6260	6261	-0.18	
-6259	H91	SLES	1	-38.1555	16.9539	5.02153	HAL2	6258	0	0	0	0.09	
-6260	H92	SLES	1	-38.5416	16.5941	6.75911	HAL2	6258	0	0	0	0.09	
-6261	C10	SLES	1	-37.7112	14.8714	5.63804	CTL2	6258	6262	6263	6264	-0.18	
-6262	H10	SLES	1	-37.7769	14.456	4.5962	HAL2	6261	0	0	0	0.09	
-6263	H10	SLES	1	-38.1599	14.0995	6.3209	HAL2	6261	0	0	0	0.09	
-6264	C11	SLES	1	-36.2627	14.9907	5.98464	CTL2	6261	6265	6266	6267	-0.18	
-6265	H11	SLES	1	-35.8163	15.7409	5.29119	HAL2	6264	0	0	0	0.09	
-6266	H11	SLES	1	-36.2017	15.3827	7.02631	HAL2	6264	0	0	0	0.09	
-6267	C12	SLES	1	-35.5951	13.6193	5.84885	CTL3	6264	6268	6269	6270	-0.27	
-6268	H12	SLES	1	-34.7996	13.659	5.07966	HAL3	6267	0	0	0	0.09	
-6269	H12	SLES	1	-35.1875	13.2973	6.82691	HAL3	6267	0	0	0	0.09	
-6270	H12	SLES	1	-36.3131	12.8259	5.52572	HAL3	6267	0	0	0	0.09	
-6271	NA	SLES	1	-60.1973	9.40702	4.02705	NA	0	0	0	0	1	
-6272	S	SLES	1	-59.3	6.82188	2.7285	SL	6273	6274	6275	6276	1.33	
-6273	OS1	SLES	1	-58.0779	7.39096	3.32166	OSL	6272	6277	0	0	-0.28	
-6274	OS2	SLES	1	-59.5164	8.0225	1.95241	O2L	6272	0	0	0	-0.65	
-6275	OS3	SLES	1	-59.9514	6.80028	4.01786	O2L	6272	0	0	0	-0.65	
-6276	OS4	SLES	1	-58.9177	5.59744	2.08315	O2L	6272	0	0	0	-0.65	
-6277	C2	SLES	1	-56.8131	6.8605	3.31936	CC32A	6273	6278	6279	6280	-0.11	
-6278	H2A	SLES	1	-56.4392	6.72876	2.2697	HCA2	6277	0	0	0	0.09	
-6279	H2B	SLES	1	-56.7906	5.87516	3.85617	HCA2	6277	0	0	0	0.09	
-6280	C1	SLES	1	-56.0089	7.93985	4.07558	CC32A	6277	6281	6282	6283	-0.01	
-6281	H1B	SLES	1	-56.0662	8.92638	3.5466	HCA2	6280	0	0	0	0.09	
-6282	H1A	SLES	1	-56.3962	8.06858	5.11606	HCA2	6280	0	0	0	0.09	
-6283	O1	SLES	1	-54.6451	7.74598	4.26708	OC30A	6280	6284	0	0	-0.34	
-6284	C2	SLES	1	-54.0598	6.57094	3.73649	CC32A	6283	6285	6286	6287	-0.01	
-6285	H2A	SLES	1	-54.2031	6.53012	2.61878	HCA2	6284	0	0	0	0.09	
-6286	H2B	SLES	1	-54.5133	5.6555	4.18352	HCA2	6284	0	0	0	0.09	
-6287	C1	SLES	1	-52.6728	7.16301	4.17969	CC32A	6284	6288	6289	6290	-0.01	
-6288	H1B	SLES	1	-52.332	7.16308	3.13587	HCA2	6287	0	0	0	0.09	
-6289	H1A	SLES	1	-52.7151	6.24413	4.8698	HCA2	6287	0	0	0	0.09	
-6290	O1	SLES	1	-51.3882	7.23665	4.74213	OC30A	6287	6291	0	0	-0.34	
-6291	C1	SLES	1	-50.4077	6.3097	4.29782	CTL2	6290	6292	6293	6294	-0.18	
-6292	H11	SLES	1	-50.3182	6.18124	3.18303	HAL2	6291	0	0	0	0.09	
-6293	H12	SLES	1	-50.6052	5.29629	4.72967	HAL2	6291	0	0	0	0.09	
-6294	C2	SLES	1	-49.1634	6.9652	4.89538	CTL2	6291	6295	6296	6297	-0.18	
-6295	H21	SLES	1	-48.9156	7.95185	4.43526	HAL2	6294	0	0	0	0.09	
-6296	H22	SLES	1	-49.2217	7.08644	6.00454	HAL2	6294	0	0	0	0.09	
-6297	C3	SLES	1	-48.0957	5.99874	4.57579	CTL2	6294	6298	6299	6300	-0.18	
-6298	H31	SLES	1	-48.0982	5.92701	3.45408	HAL2	6297	0	0	0	0.09	
-6299	H32	SLES	1	-48.4187	5.03819	5.06447	HAL2	6297	0	0	0	0.09	
-6300	C4	SLES	1	-46.6813	6.23909	4.99365	CTL2	6297	6301	6302	6303	-0.18	
-6301	H41	SLES	1	-46.2786	7.18056	4.54504	HAL2	6300	0	0	0	0.09	
-6302	H42	SLES	1	-46.5927	6.32014	6.10246	HAL2	6300	0	0	0	0.09	
-6303	C5	SLES	1	-46.0652	4.95994	4.41113	CTL2	6300	6304	6305	6306	-0.18	
-6304	H51	SLES	1	-46.2517	4.90137	3.30577	HAL2	6303	0	0	0	0.09	
-6305	H52	SLES	1	-46.561	4.05208	4.84515	HAL2	6303	0	0	0	0.09	
-6306	C6	SLES	1	-44.622	4.76936	4.59602	CTL2	6303	6307	6308	6309	-0.18	
-6307	H61	SLES	1	-44.1893	4.63092	3.56815	HAL2	6306	0	0	0	0.09	
-6308	H62	SLES	1	-44.4993	3.77934	5.11192	HAL2	6306	0	0	0	0.09	
-6309	C7	SLES	1	-43.869	5.8689	5.35463	CTL2	6306	6310	6311	6312	-0.18	
-6310	H71	SLES	1	-43.8865	6.86274	4.8481	HAL2	6309	0	0	0	0.09	
-6311	H72	SLES	1	-44.2003	6.00031	6.41089	HAL2	6309	0	0	0	0.09	
-6312	C8	SLES	1	-42.5014	5.2901	5.30861	CTL2	6309	6313	6314	6315	-0.18	
-6313	H81	SLES	1	-42.246	5.16647	4.21883	HAL2	6312	0	0	0	0.09	
-6314	H82	SLES	1	-42.5673	4.28516	5.81477	HAL2	6312	0	0	0	0.09	
-6315	C9	SLES	1	-41.3569	6.00758	5.93493	CTL2	6312	6316	6317	6318	-0.18	
-6316	H91	SLES	1	-41.222	7.00503	5.45998	HAL2	6315	0	0	0	0.09	
-6317	H92	SLES	1	-41.5368	6.1402	7.02546	HAL2	6315	0	0	0	0.09	
-6318	C10	SLES	1	-40.2222	5.03343	5.62517	CTL2	6315	6319	6320	6321	-0.18	
-6319	H10	SLES	1	-40.1393	4.88428	4.5147	HAL2	6318	0	0	0	0.09	
-6320	H10	SLES	1	-40.4517	4.02643	6.06871	HAL2	6318	0	0	0	0.09	
-6321	C11	SLES	1	-38.8768	5.44884	6.12518	CTL2	6318	6322	6323	6324	-0.18	
-6322	H11	SLES	1	-38.643	6.43765	5.66623	HAL2	6321	0	0	0	0.09	
-6323	H11	SLES	1	-38.9575	5.57506	7.22973	HAL2	6321	0	0	0	0.09	
-6324	C12	SLES	1	-37.8443	4.38405	5.74437	CTL3	6321	6325	6326	6327	-0.27	
-6325	H12	SLES	1	-37.0723	4.82334	5.08318	HAL3	6324	0	0	0	0.09	
-6326	H12	SLES	1	-37.3885	3.95392	6.65743	HAL3	6324	0	0	0	0.09	
-6327	H12	SLES	1	-38.2988	3.53125	5.18263	HAL3	6324	0	0	0	0.09	
-6328	NA	SLES	1	-60.6595	-6.17705	4.43567	NA	0	0	0	0	1	
-6329	S	SLES	1	-59.1292	-8.01541	2.57751	SL	6330	6331	6332	6333	1.33	
-6330	OS1	SLES	1	-58.0918	-7.29369	3.33397	OSL	6329	6334	0	0	-0.28	
-6331	OS2	SLES	1	-59.6957	-6.76963	2.11091	O2L	6329	0	0	0	-0.65	
-6332	OS3	SLES	1	-59.7039	-8.53013	3.79902	O2L	6329	0	0	0	-0.65	
-6333	OS4	SLES	1	-58.4464	-8.89053	1.66655	O2L	6329	0	0	0	-0.65	
-6334	C2	SLES	1	-56.7306	-7.43696	3.24643	CC32A	6330	6335	6336	6337	-0.11	
-6335	H2A	SLES	1	-56.3717	-7.19993	2.21009	HCA2	6334	0	0	0	0.09	
-6336	H2B	SLES	1	-56.4181	-8.47775	3.52692	HCA2	6334	0	0	0	0.09	
-6337	C1	SLES	1	-56.2298	-6.39611	4.27087	CC32A	6334	6338	6339	6340	-0.01	
-6338	H1B	SLES	1	-56.5758	-5.36574	3.99705	HCA2	6337	0	0	0	0.09	
-6339	H1A	SLES	1	-56.601	-6.63741	5.29711	HCA2	6337	0	0	0	0.09	
-6340	O1	SLES	1	-54.8597	-6.24647	4.45678	OC30A	6337	6341	0	0	-0.34	
-6341	C2	SLES	1	-53.9916	-7.04762	3.67618	CC32A	6340	6342	6343	6344	-0.01	
-6342	H2A	SLES	1	-54.157	-6.8523	2.57802	HCA2	6341	0	0	0	0.09	
-6343	H2B	SLES	1	-54.1588	-8.13298	3.8701	HCA2	6341	0	0	0	0.09	
-6344	C1	SLES	1	-52.8074	-6.22238	4.29868	CC32A	6341	6345	6346	6347	-0.01	
-6345	H1B	SLES	1	-52.5166	-5.87342	3.29903	HCA2	6344	0	0	0	0.09	
-6346	H1A	SLES	1	-52.5702	-7.25671	4.74171	HCA2	6344	0	0	0	0.09	
-6347	O1	SLES	1	-51.5742	-5.93647	4.90661	OC30A	6344	6348	0	0	-0.34	
-6348	C1	SLES	1	-50.3921	-6.41894	4.284	CTL2	6347	6349	6350	6351	-0.18	
-6349	H11	SLES	1	-50.3095	-6.2415	3.17541	HAL2	6348	0	0	0	0.09	
-6350	H12	SLES	1	-50.2868	-7.52095	4.44824	HAL2	6348	0	0	0	0.09	
-6351	C2	SLES	1	-49.3571	-5.61185	5.06659	CTL2	6348	6352	6353	6354	-0.18	
-6352	H21	SLES	1	-49.4076	-4.51389	4.87019	HAL2	6351	0	0	0	0.09	
-6353	H22	SLES	1	-49.4078	-5.78599	6.16906	HAL2	6351	0	0	0	0.09	
-6354	C3	SLES	1	-48.0759	-6.13738	4.55825	CTL2	6351	6355	6356	6357	-0.18	
-6355	H31	SLES	1	-48.0977	-5.93095	3.45358	HAL2	6354	0	0	0	0.09	
-6356	H32	SLES	1	-48.1037	-7.23879	4.78607	HAL2	6354	0	0	0	0.09	
-6357	C4	SLES	1	-46.7691	-5.62535	5.07129	CTL2	6354	6358	6359	6360	-0.18	
-6358	H41	SLES	1	-46.658	-4.52945	4.88043	HAL2	6357	0	0	0	0.09	
-6359	H42	SLES	1	-46.6676	-5.7962	6.16874	HAL2	6357	0	0	0	0.09	
-6360	C5	SLES	1	-45.8445	-6.50212	4.21603	CTL2	6357	6361	6362	6363	-0.18	
-6361	H51	SLES	1	-46.0461	-6.33824	3.124	HAL2	6360	0	0	0	0.09	
-6362	H52	SLES	1	-46.0548	-7.58893	4.39771	HAL2	6360	0	0	0	0.09	
-6363	C6	SLES	1	-44.3993	-6.32587	4.39911	CTL2	6360	6364	6365	6366	-0.18	
-6364	H61	SLES	1	-43.9814	-6.08416	3.3843	HAL2	6363	0	0	0	0.09	
-6365	H62	SLES	1	-43.99	-7.33824	4.66169	HAL2	6363	0	0	0	0.09	
-6366	C7	SLES	1	-43.9531	-5.28097	5.42901	CTL2	6363	6367	6368	6369	-0.18	
-6367	H71	SLES	1	-44.2621	-4.23829	5.18012	HAL2	6366	0	0	0	0.09	
-6368	H72	SLES	1	-44.2707	-5.50815	6.47315	HAL2	6366	0	0	0	0.09	
-6369	C8	SLES	1	-42.4813	-5.4301	5.2909	CTL2	6366	6370	6371	6372	-0.18	
-6370	H81	SLES	1	-42.2399	-5.20847	4.21352	HAL2	6369	0	0	0	0.09	
-6371	H82	SLES	1	-42.2494	-6.50605	5.53381	HAL2	6369	0	0	0	0.09	
-6372	C9	SLES	1	-41.5584	-4.59998	6.11301	CTL2	6369	6373	6374	6375	-0.18	
-6373	H91	SLES	1	-41.7209	-3.51956	5.90092	HAL2	6372	0	0	0	0.09	
-6374	H92	SLES	1	-41.7297	-4.79259	7.19594	HAL2	6372	0	0	0	0.09	
-6375	C10	SLES	1	-40.2103	-5.11656	5.61465	CTL2	6372	6376	6377	6378	-0.18	
-6376	H10	SLES	1	-40.1283	-4.96124	4.50497	HAL2	6375	0	0	0	0.09	
-6377	H10	SLES	1	-40.1371	-6.22431	5.79066	HAL2	6375	0	0	0	0.09	
-6378	C11	SLES	1	-39.0154	-4.48093	6.24763	CTL2	6375	6379	6380	6381	-0.18	
-6379	H11	SLES	1	-39.0799	-3.38513	6.0524	HAL2	6378	0	0	0	0.09	
-6380	H11	SLES	1	-39.0891	-4.6555	7.34607	HAL2	6378	0	0	0	0.09	
-6381	C12	SLES	1	-37.7429	-5.09265	5.65472	CTL3	6378	6382	6383	6384	-0.27	
-6382	H12	SLES	1	-37.1458	-4.3097	5.14816	HAL3	6381	0	0	0	0.09	
-6383	H12	SLES	1	-37.1544	-5.58951	6.45052	HAL3	6381	0	0	0	0.09	
-6384	H12	SLES	1	-37.9636	-5.87381	4.88628	HAL3	6381	0	0	0	0.09	
-6385	NA	SLES	1	-57.107	-21.4617	4.75407	NA	0	0	0	0	1	
-6386	S	SLES	1	-55.3217	-22.317	2.46154	SL	6387	6388	6389	6390	1.33	
-6387	OS1	SLES	1	-54.4497	-21.5228	3.34368	OSL	6386	6391	0	0	-0.28	
-6388	OS2	SLES	1	-56.2437	-21.2109	2.32995	O2L	6386	0	0	0	-0.65	
-6389	OS3	SLES	1	-55.6188	-23.2376	3.53461	O2L	6386	0	0	0	-0.65	
-6390	OS4	SLES	1	-54.5182	-22.7311	1.34585	O2L	6386	0	0	0	-0.65	
-6391	C2	SLES	1	-53.1147	-21.2503	3.18715	CC32A	6387	6392	6393	6394	-0.11	
-6392	H2A	SLES	1	-52.9324	-20.6917	2.23128	HCA2	6391	0	0	0	0.09	
-6393	H2B	SLES	1	-52.509	-22.195	3.19546	HCA2	6391	0	0	0	0.09	
-6394	C1	SLES	1	-52.8175	-20.372	4.42165	CC32A	6391	6395	6396	6397	-0.01	
-6395	H1B	SLES	1	-53.4519	-19.448	4.41815	HCA2	6394	0	0	0	0.09	
-6396	H1A	SLES	1	-53.0115	-20.9358	5.36702	HCA2	6394	0	0	0	0.09	
-6397	O1	SLES	1	-51.5268	-19.8864	4.60168	OC30A	6394	6398	0	0	-0.34	
-6398	C2	SLES	1	-50.5532	-20.2087	3.62548	CC32A	6397	6399	6400	6401	-0.01	
-6399	H2A	SLES	1	-50.868	-19.8236	2.61356	HCA2	6398	0	0	0	0.09	
-6400	H2B	SLES	1	-50.4034	-21.3113	3.55185	HCA2	6398	0	0	0	0.09	
-6401	C1	SLES	1	-49.5809	-19.2459	4.39923	CC32A	6398	6402	6403	6404	-0.01	
-6402	H1B	SLES	1	-49.4905	-18.6107	3.50817	HCA2	6401	0	0	0	0.09	
-6403	H1A	SLES	1	-49.0337	-20.243	4.56865	HCA2	6401	0	0	0	0.09	
-6404	O1	SLES	1	-48.4182	-18.7683	5.02533	OC30A	6401	6405	0	0	-0.34	
-6405	C1	SLES	1	-47.2143	-18.7407	4.27192	CTL2	6404	6406	6407	6408	-0.18	
-6406	H11	SLES	1	-47.2877	-18.2995	3.23884	HAL2	6405	0	0	0	0.09	
-6407	H12	SLES	1	-46.8017	-19.7748	4.15812	HAL2	6405	0	0	0	0.09	
-6408	C2	SLES	1	-46.3651	-17.8736	5.20038	CTL2	6405	6409	6410	6411	-0.18	
-6409	H21	SLES	1	-46.7271	-16.8204	5.28054	HAL2	6408	0	0	0	0.09	
-6410	H22	SLES	1	-46.2627	-18.3013	6.22747	HAL2	6408	0	0	0	0.09	
-6411	C3	SLES	1	-45.0438	-17.884	4.54448	CTL2	6408	6412	6413	6414	-0.18	
-6412	H31	SLES	1	-45.2246	-17.4463	3.52512	HAL2	6411	0	0	0	0.09	
-6413	H32	SLES	1	-44.753	-18.9698	4.49604	HAL2	6411	0	0	0	0.09	
-6414	C4	SLES	1	-43.8802	-17.1533	5.13209	CTL2	6411	6415	6416	6417	-0.18	
-6415	H41	SLES	1	-44.0863	-16.0575	5.21277	HAL2	6414	0	0	0	0.09	
-6416	H42	SLES	1	-43.6333	-17.5336	6.15104	HAL2	6414	0	0	0	0.09	
-6417	C5	SLES	1	-42.8392	-17.513	4.06347	CTL2	6414	6418	6419	6420	-0.18	
-6418	H51	SLES	1	-43.1797	-17.1688	3.05075	HAL2	6417	0	0	0	0.09	
-6419	H52	SLES	1	-42.7316	-18.6264	3.97878	HAL2	6417	0	0	0	0.09	
-6420	C6	SLES	1	-41.4839	-16.9807	4.24527	CTL2	6417	6421	6422	6423	-0.18	
-6421	H61	SLES	1	-41.2442	-16.4059	3.30982	HAL2	6420	0	0	0	0.09	
-6422	H62	SLES	1	-40.7947	-17.8675	4.24058	HAL2	6420	0	0	0	0.09	
-6423	C7	SLES	1	-41.2396	-16.1154	5.48751	CTL2	6420	6424	6425	6426	-0.18	
-6424	H71	SLES	1	-41.8396	-15.1751	5.5102	HAL2	6423	0	0	0	0.09	
-6425	H72	SLES	1	-41.3843	-16.6549	6.45226	HAL2	6423	0	0	0	0.09	
-6426	C8	SLES	1	-39.8018	-15.8055	5.27756	CTL2	6423	6427	6428	6429	-0.18	
-6427	H81	SLES	1	-39.7318	-15.2852	4.28129	HAL2	6426	0	0	0	0.09	
-6428	H82	SLES	1	-39.2674	-16.7973	5.243	HAL2	6426	0	0	0	0.09	
-6429	C9	SLES	1	-39.0624	-14.9577	6.25297	CTL2	6426	6430	6431	6432	-0.18	
-6430	H91	SLES	1	-39.5286	-13.949	6.31664	HAL2	6429	0	0	0	0.09	
-6431	H92	SLES	1	-39.0725	-15.4323	7.25985	HAL2	6429	0	0	0	0.09	
-6432	C10	SLES	1	-37.6785	-14.9431	5.60715	CTL2	6429	6433	6434	6435	-0.18	
-6433	H10	SLES	1	-37.7465	-14.5224	4.56761	HAL2	6432	0	0	0	0.09	
-6434	H10	SLES	1	-37.294	-15.9943	5.50422	HAL2	6432	0	0	0	0.09	
-6435	C11	SLES	1	-36.644	-14.1563	6.34429	CTL2	6432	6436	6437	6438	-0.18	
-6436	H11	SLES	1	-37.0188	-13.1093	6.42543	HAL2	6435	0	0	0	0.09	
-6437	H11	SLES	1	-36.564	-14.59	7.36799	HAL2	6435	0	0	0	0.09	
-6438	C12	SLES	1	-35.316	-14.2302	5.58555	CTL3	6435	6439	6440	6441	-0.27	
-6439	H12	SLES	1	-35.002	-13.2162	5.27051	HAL3	6438	0	0	0	0.09	
-6440	H12	SLES	1	-34.5431	-14.7074	6.21917	HAL3	6438	0	0	0	0.09	
-6441	H12	SLES	1	-35.3903	-14.8454	4.65529	HAL3	6438	0	0	0	0.09	
-6442	NA	SLES	1	-49.7194	-35.3886	4.96226	NA	0	0	0	0	1	
-6443	S	SLES	1	-48.1322	-35.2217	2.38789	SL	6444	6445	6446	6447	1.33	
-6444	OS1	SLES	1	-47.3792	-34.3994	3.3502	OSL	6443	6448	0	0	-0.28	
-6445	OS2	SLES	1	-49.3216	-34.4263	2.59577	O2L	6443	0	0	0	-0.65	
-6446	OS3	SLES	1	-48.0141	-36.3815	3.24122	O2L	6443	0	0	0	-0.65	
-6447	OS4	SLES	1	-47.4226	-35.1573	1.14122	O2L	6443	0	0	0	-0.65	
-6448	C2	SLES	1	-46.2014	-33.7271	3.14526	CC32A	6444	6449	6450	6451	-0.11	
-6449	H2A	SLES	1	-46.3162	-32.9628	2.33193	HCA2	6448	0	0	0	0.09	
-6450	H2B	SLES	1	-45.3741	-34.4386	2.88262	HCA2	6448	0	0	0	0.09	
-6451	C1	SLES	1	-45.9662	-33.0618	4.51843	CC32A	6448	6452	6453	6454	-0.01	
-6452	H1B	SLES	1	-46.8146	-32.379	4.78344	HCA2	6451	0	0	0	0.09	
-6453	H1A	SLES	1	-45.8627	-33.8323	5.32139	HCA2	6451	0	0	0	0.09	
-6454	O1	SLES	1	-44.8368	-32.2691	4.69268	OC30A	6451	6455	0	0	-0.34	
-6455	C2	SLES	1	-43.9685	-32.0971	3.58757	CC32A	6454	6456	6457	6458	-0.01	
-6456	H2A	SLES	1	-44.52	-31.6279	2.72315	HCA2	6455	0	0	0	0.09	
-6457	H2B	SLES	1	-43.5466	-33.0721	3.24877	HCA2	6455	0	0	0	0.09	
-6458	C1	SLES	1	-43.1803	-31.0665	4.475	CC32A	6455	6459	6460	6461	-0.01	
-6459	H1B	SLES	1	-43.3933	-30.2697	3.75016	HCA2	6458	0	0	0	0.09	
-6460	H1A	SLES	1	-42.3712	-31.8757	4.36152	HCA2	6458	0	0	0	0.09	
-6461	O1	SLES	1	-42.1048	-30.4063	5.09084	OC30A	6458	6462	0	0	-0.34	
-6462	C1	SLES	1	-41.076	-29.8837	4.26234	CTL2	6461	6463	6464	6465	-0.18	
-6463	H11	SLES	1	-41.4151	-29.2881	3.36935	HAL2	6462	0	0	0	0.09	
-6464	H12	SLES	1	-40.4274	-30.7107	3.87756	HAL2	6462	0	0	0	0.09	
-6465	C2	SLES	1	-40.357	-29.0089	5.28833	CTL2	6462	6466	6467	6468	-0.18	
-6466	H21	SLES	1	-40.9673	-28.1428	5.64052	HAL2	6465	0	0	0	0.09	
-6467	H22	SLES	1	-39.9946	-29.5823	6.17611	HAL2	6465	0	0	0	0.09	
-6468	C3	SLES	1	-39.1918	-28.5072	4.53536	CTL2	6465	6469	6470	6471	-0.18	
-6469	H31	SLES	1	-39.6305	-27.9486	3.6642	HAL2	6468	0	0	0	0.09	
-6470	H32	SLES	1	-38.6361	-29.4307	4.21257	HAL2	6468	0	0	0	0.09	
-6471	C4	SLES	1	-38.1878	-27.602	5.17221	CTL2	6468	6472	6473	6474	-0.18	
-6472	H41	SLES	1	-38.6606	-26.651	5.52117	HAL2	6471	0	0	0	0.09	
-6473	H42	SLES	1	-37.7013	-28.0877	6.05045	HAL2	6471	0	0	0	0.09	
-6474	C5	SLES	1	-37.2591	-27.4273	3.96304	CTL2	6471	6475	6476	6477	-0.18	
-6475	H51	SLES	1	-37.8244	-27.0038	3.09063	HAL2	6474	0	0	0	0.09	
-6476	H52	SLES	1	-36.8761	-28.4225	3.61469	HAL2	6474	0	0	0	0.09	
-6477	C6	SLES	1	-36.0802	-26.5725	4.14416	CTL2	6474	6478	6479	6480	-0.18	
-6478	H61	SLES	1	-36.1416	-25.7804	3.34939	HAL2	6477	0	0	0	0.09	
-6479	H62	SLES	1	-35.1906	-27.203	3.87506	HAL2	6477	0	0	0	0.09	
-6480	C7	SLES	1	-35.8909	-25.9362	5.52646	CTL2	6477	6481	6482	6483	-0.18	
-6481	H71	SLES	1	-36.7069	-25.2333	5.8176	HAL2	6480	0	0	0	0.09	
-6482	H72	SLES	1	-35.7439	-26.6735	6.34951	HAL2	6480	0	0	0	0.09	
-6483	C8	SLES	1	-34.6329	-25.1886	5.26944	CTL2	6480	6484	6485	6486	-0.18	
-6484	H81	SLES	1	-34.8507	-24.4847	4.4179	HAL2	6483	0	0	0	0.09	
-6485	H82	SLES	1	-33.8676	-25.9564	4.9606	HAL2	6483	0	0	0	0.09	
-6486	C9	SLES	1	-34.0065	-24.3729	6.34603	CTL2	6483	6487	6488	6489	-0.18	
-6487	H91	SLES	1	-34.7069	-23.5754	6.68102	HAL2	6486	0	0	0	0.09	
-6488	H92	SLES	1	-33.742	-25.0189	7.21317	HAL2	6486	0	0	0	0.09	
-6489	C10	SLES	1	-32.7868	-23.8317	5.60315	CTL2	6486	6490	6491	6492	-0.18	
-6490	H10	SLES	1	-33.1164	-23.2524	4.69869	HAL2	6489	0	0	0	0.09	
-6491	H10	SLES	1	-32.1589	-24.685	5.22739	HAL2	6489	0	0	0	0.09	
-6492	C11	SLES	1	-31.8984	-22.9408	6.40909	CTL2	6489	6493	6494	6495	-0.18	
-6493	H11	SLES	1	-32.5191	-22.0844	6.76189	HAL2	6492	0	0	0	0.09	
-6494	H11	SLES	1	-31.5562	-23.5256	7.29414	HAL2	6492	0	0	0	0.09	
-6495	C12	SLES	1	-30.7253	-22.4764	5.5412	CTL3	6492	6496	6497	6498	-0.27	
-6496	H12	SLES	1	-30.7395	-21.3736	5.44255	HAL3	6495	0	0	0	0.09	
-6497	H12	SLES	1	-29.7691	-22.8248	5.97792	HAL3	6495	0	0	0	0.09	
-6498	H12	SLES	1	-30.7721	-22.8909	4.50417	HAL3	6495	0	0	0	0.09	
-6499	NA	SLES	1	-38.97	-46.9758	5.04715	NA	0	0	0	0	1	
-6500	S	SLES	1	-38.0079	-45.9589	2.36118	SL	6501	6502	6503	6504	1.33	
-6501	OS1	SLES	1	-37.3246	-45.1112	3.3531	OSL	6500	6505	0	0	-0.28	
-6502	OS2	SLES	1	-39.3004	-45.5868	2.89167	O2L	6500	0	0	0	-0.65	
-6503	OS3	SLES	1	-37.4294	-47.1508	2.93731	O2L	6500	0	0	0	-0.65	
-6504	OS4	SLES	1	-37.5934	-45.4992	1.06549	O2L	6500	0	0	0	-0.65	
-6505	C2	SLES	1	-36.4251	-44.1016	3.12337	CC32A	6501	6506	6507	6508	-0.11	
-6506	H2A	SLES	1	-36.8897	-43.2882	2.50573	HCA2	6505	0	0	0	0.09	
-6507	H2B	SLES	1	-35.5076	-44.4917	2.60804	HCA2	6505	0	0	0	0.09	
-6508	C1	SLES	1	-36.1117	-43.6164	4.55513	CC32A	6505	6509	6510	6511	-0.01	
-6509	H1B	SLES	1	-37.0413	-43.26	5.06997	HCA2	6508	0	0	0	0.09	
-6510	H1A	SLES	1	-35.6582	-44.4374	5.16309	HCA2	6508	0	0	0	0.09	
-6511	O1	SLES	1	-35.2164	-42.5657	4.72406	OC30A	6508	6512	0	0	-0.34	
-6512	C2	SLES	1	-34.6527	-41.9798	3.56482	CC32A	6511	6513	6514	6515	-0.01	
-6513	H2A	SLES	1	-35.4632	-41.5646	2.89992	HCA2	6512	0	0	0	0.09	
-6514	H2B	SLES	1	-34.0645	-42.7252	2.97989	HCA2	6512	0	0	0	0.09	
-6515	C1	SLES	1	-34.0049	-40.9138	4.52125	CC32A	6512	6516	6517	6518	-0.01	
-6516	H1B	SLES	1	-34.5537	-40.112	4.0098	HCA2	6515	0	0	0	0.09	
-6517	H1A	SLES	1	-33.0503	-41.4243	4.13331	HCA2	6515	0	0	0	0.09	
-6518	O1	SLES	1	-33.041	-40.0718	5.099	OC30A	6515	6519	0	0	-0.34	
-6519	C1	SLES	1	-32.3635	-39.1508	4.25586	CTL2	6518	6520	6521	6522	-0.18	
-6520	H11	SLES	1	-33.0116	-38.5498	3.55872	HAL2	6519	0	0	0	0.09	
-6521	H12	SLES	1	-31.6085	-39.6832	3.62417	HAL2	6519	0	0	0	0.09	
-6522	C2	SLES	1	-31.7139	-38.2733	5.32493	CTL2	6519	6523	6524	6525	-0.18	
-6523	H21	SLES	1	-32.4492	-37.6879	5.92751	HAL2	6522	0	0	0	0.09	
-6524	H22	SLES	1	-31.0506	-38.8458	6.01821	HAL2	6522	0	0	0	0.09	
-6525	C3	SLES	1	-30.8874	-37.344	4.53144	CTL2	6522	6526	6527	6528	-0.18	
-6526	H31	SLES	1	-31.6158	-36.8104	3.86207	HAL2	6525	0	0	0	0.09	
-6527	H32	SLES	1	-30.1831	-38.0041	3.9535	HAL2	6525	0	0	0	0.09	
-6528	C4	SLES	1	-30.051	-36.2948	5.18914	CTL2	6525	6529	6530	6531	-0.18	
-6529	H41	SLES	1	-30.679	-35.5886	5.78627	HAL2	6528	0	0	0	0.09	
-6530	H42	SLES	1	-29.295	-36.7468	5.87332	HAL2	6528	0	0	0	0.09	
-6531	C5	SLES	1	-29.4508	-35.6729	3.92104	CTL2	6528	6532	6533	6534	-0.18	
-6532	H51	SLES	1	-30.264	-35.3034	3.24113	HAL2	6531	0	0	0	0.09	
-6533	H52	SLES	1	-28.8961	-36.4471	3.32832	HAL2	6531	0	0	0	0.09	
-6534	C6	SLES	1	-28.5236	-34.5501	4.10214	CTL2	6531	6535	6536	6537	-0.18	
-6535	H61	SLES	1	-28.9413	-33.6977	3.50051	HAL2	6534	0	0	0	0.09	
-6536	H62	SLES	1	-27.5694	-34.8444	3.58808	HAL2	6534	0	0	0	0.09	
-6537	C7	SLES	1	-28.2443	-34.107	5.54341	CTL2	6534	6538	6539	6540	-0.18	
-6538	H71	SLES	1	-29.1434	-33.7262	6.08301	HAL2	6537	0	0	0	0.09	
-6539	H72	SLES	1	-27.7544	-34.887	6.17138	HAL2	6537	0	0	0	0.09	
-6540	C8	SLES	1	-27.2986	-32.9949	5.26704	CTL2	6537	6541	6542	6543	-0.18	
-6541	H81	SLES	1	-27.8522	-32.2627	4.61476	HAL2	6540	0	0	0	0.09	
-6542	H82	SLES	1	-26.4339	-33.449	4.70437	HAL2	6540	0	0	0	0.09	
-6543	C9	SLES	1	-26.7114	-32.208	6.38633	CTL2	6540	6544	6545	6546	-0.18	
-6544	H91	SLES	1	-27.5174	-31.7109	6.97116	HAL2	6543	0	0	0	0.09	
-6545	H92	SLES	1	-26.1258	-32.8743	7.05884	HAL2	6543	0	0	0	0.09	
-6546	C10	SLES	1	-25.8417	-31.227	5.60288	CTL2	6543	6547	6548	6549	-0.18	
-6547	H10	SLES	1	-26.4787	-30.6369	4.88997	HAL2	6546	0	0	0	0.09	
-6548	H10	SLES	1	-25.0976	-31.7916	4.97756	HAL2	6546	0	0	0	0.09	
-6549	C11	SLES	1	-25.0784	-30.251	6.43795	CTL2	6546	6550	6551	6552	-0.18	
-6550	H11	SLES	1	-25.8209	-29.6779	7.04064	HAL2	6549	0	0	0	0.09	
-6551	H11	SLES	1	-24.4317	-30.8397	7.12914	HAL2	6549	0	0	0	0.09	
-6552	C12	SLES	1	-24.2569	-29.3369	5.52446	CTL3	6549	6553	6554	6555	-0.27	
-6553	H12	SLES	1	-24.5768	-28.2847	5.65347	HAL3	6552	0	0	0	0.09	
-6554	H12	SLES	1	-23.1774	-29.4543	5.74193	HAL3	6552	0	0	0	0.09	
-6555	H12	SLES	1	-24.3928	-29.5821	4.44242	HAL3	6552	0	0	0	0.09	
-6556	NA	SLES	1	-25.5939	-55.4059	5.0034	NA	0	0	0	0	1	
-6557	S	SLES	1	-25.5614	-53.887	2.38309	SL	6558	6559	6560	6561	1.33	
-6558	OS1	SLES	1	-24.9194	-52.9826	3.35222	OSL	6557	6562	0	0	-0.28	
-6559	OS2	SLES	1	-26.7527	-53.9617	3.19906	O2L	6557	0	0	0	-0.65	
-6560	OS3	SLES	1	-24.5765	-54.9118	2.64197	O2L	6557	0	0	0	-0.65	
-6561	OS4	SLES	1	-25.5843	-53.1981	1.12345	O2L	6557	0	0	0	-0.65	
-6562	C2	SLES	1	-24.3916	-51.7376	3.12286	CC32A	6558	6563	6564	6565	-0.11	
-6563	H2A	SLES	1	-25.1797	-51.0358	2.74174	HCA2	6562	0	0	0	0.09	
-6564	H2B	SLES	1	-23.5441	-51.7904	2.38899	HCA2	6562	0	0	0	0.09	
-6565	C1	SLES	1	-23.9028	-51.33	4.52945	CC32A	6562	6566	6567	6568	-0.01	
-6566	H1B	SLES	1	-24.7529	-51.3127	5.25973	HCA2	6565	0	0	0	0.09	
-6567	H1A	SLES	1	-23.1253	-52.0413	4.90207	HCA2	6565	0	0	0	0.09	
-6568	O1	SLES	1	-23.3002	-50.0875	4.69385	OC30A	6565	6569	0	0	-0.34	
-6569	C2	SLES	1	-23.1853	-49.249	3.55867	CC32A	6568	6570	6571	6572	-0.01	
-6570	H2A	SLES	1	-24.2043	-49.0216	3.13275	HCA2	6569	0	0	0	0.09	
-6571	H2B	SLES	1	-22.5695	-49.7284	2.76212	HCA2	6569	0	0	0	0.09	
-6572	C1	SLES	1	-22.6419	-48.1435	4.53505	CC32A	6569	6573	6574	6575	-0.01	
-6573	H1B	SLES	1	-23.4821	-47.4879	4.27077	HCA2	6572	0	0	0	0.09	
-6574	H1A	SLES	1	-21.6994	-48.3131	3.89838	HCA2	6572	0	0	0	0.09	
-6575	O1	SLES	1	-21.8281	-47.1211	5.04932	OC30A	6572	6576	0	0	-0.34	
-6576	C1	SLES	1	-21.6234	-45.9628	4.25288	CTL2	6575	6577	6578	6579	-0.18	
-6577	H11	SLES	1	-22.5459	-45.5082	3.79506	HAL2	6576	0	0	0	0.09	
-6578	H12	SLES	1	-20.9172	-46.1863	3.41389	HAL2	6576	0	0	0	0.09	
-6579	C2	SLES	1	-21.0034	-45.0475	5.30786	CTL2	6576	6580	6581	6582	-0.18	
-6580	H21	SLES	1	-21.7116	-44.7648	6.12349	HAL2	6579	0	0	0	0.09	
-6581	H22	SLES	1	-20.075	-45.4701	5.76368	HAL2	6579	0	0	0	0.09	
-6582	C3	SLES	1	-20.6499	-43.843	4.53298	CTL2	6579	6583	6584	6585	-0.18	
-6583	H31	SLES	1	-21.6238	-43.4787	4.10632	HAL2	6582	0	0	0	0.09	
-6584	H32	SLES	1	-19.9458	-44.2082	3.7351	HAL2	6582	0	0	0	0.09	
-6585	C4	SLES	1	-19.9921	-42.6686	5.18181	CTL2	6582	6586	6587	6588	-0.18	
-6586	H41	SLES	1	-20.6324	-42.2392	5.9914	HAL2	6585	0	0	0	0.09	
-6587	H42	SLES	1	-19.0103	-42.9486	5.63075	HAL2	6585	0	0	0	0.09	
-6588	C5	SLES	1	-19.8771	-41.7741	3.94011	CTL2	6585	6589	6590	6591	-0.18	
-6589	H51	SLES	1	-20.89	-41.5896	3.4928	HAL2	6588	0	0	0	0.09	
-6590	H52	SLES	1	-19.2868	-42.2899	3.13765	HAL2	6588	0	0	0	0.09	
-6591	C6	SLES	1	-19.2606	-40.4549	4.12186	CTL2	6588	6592	6593	6594	-0.18	
-6592	H61	SLES	1	-20.0113	-39.7041	3.75369	HAL2	6591	0	0	0	0.09	
-6593	H62	SLES	1	-18.4035	-40.4062	3.39768	HAL2	6591	0	0	0	0.09	
-6594	C7	SLES	1	-18.7906	-40.0983	5.53729	CTL2	6591	6595	6596	6597	-0.18	
-6595	H71	SLES	1	-19.6129	-40.0514	6.28976	HAL2	6594	0	0	0	0.09	
-6596	H72	SLES	1	-17.9852	-40.7621	5.92904	HAL2	6594	0	0	0	0.09	
-6597	C8	SLES	1	-18.2568	-38.7376	5.27051	CTL2	6594	6598	6599	6600	-0.18	
-6598	H81	SLES	1	-19.115	-38.1354	4.85949	HAL2	6597	0	0	0	0.09	
-6599	H82	SLES	1	-17.4528	-38.8619	4.4904	HAL2	6597	0	0	0	0.09	
-6600	C9	SLES	1	-17.6604	-37.9318	6.37136	CTL2	6597	6601	6602	6603	-0.18	
-6601	H91	SLES	1	-18.4157	-37.7519	7.16883	HAL2	6600	0	0	0	0.09	
-6602	H92	SLES	1	-16.7849	-38.4641	6.80654	HAL2	6600	0	0	0	0.09	
-6603	C10	SLES	1	-17.2776	-36.6666	5.60637	CTL2	6600	6604	6605	6606	-0.18	
-6604	H10	SLES	1	-18.1904	-36.2177	5.12944	HAL2	6603	0	0	0	0.09	
-6605	H10	SLES	1	-16.5719	-36.9247	4.77043	HAL2	6603	0	0	0	0.09	
-6606	C11	SLES	1	-16.6294	-35.601	6.42907	CTL2	6603	6607	6608	6609	-0.18	
-6607	H11	SLES	1	-17.341	-35.3321	7.24416	HAL2	6606	0	0	0	0.09	
-6608	H11	SLES	1	-15.7128	-36.0436	6.88337	HAL2	6606	0	0	0	0.09	
-6609	C12	SLES	1	-16.3035	-34.4003	5.53637	CTL3	6606	6610	6611	6612	-0.27	
-6610	H12	SLES	1	-16.8506	-33.5049	5.89001	HAL3	6609	0	0	0	0.09	
-6611	H12	SLES	1	-15.2107	-34.2208	5.52602	HAL3	6609	0	0	0	0.09	
-6612	H12	SLES	1	-16.61	-34.5634	4.47391	HAL3	6609	0	0	0	0.09	
-6613	NA	SLES	1	-10.5264	-60.0999	4.83377	NA	0	0	0	0	1	
-6614	S	SLES	1	-11.5384	-58.5256	2.45224	SL	6615	6616	6617	6618	1.33	
-6615	OS1	SLES	1	-10.9458	-57.5174	3.34759	OSL	6614	6619	0	0	-0.28	
-6616	OS2	SLES	1	-12.4312	-58.9713	3.49862	O2L	6614	0	0	0	-0.65	
-6617	OS3	SLES	1	-10.2834	-59.2369	2.37374	O2L	6614	0	0	0	-0.65	
-6618	OS4	SLES	1	-12.0498	-57.8193	1.31143	O2L	6614	0	0	0	-0.65	
-6619	C2	SLES	1	-10.8419	-56.1651	3.14377	CC32A	6615	6620	6621	6622	-0.11	
-6620	H2A	SLES	1	-11.8569	-55.7018	3.02514	HCA2	6619	0	0	0	0.09	
-6621	H2B	SLES	1	-10.2158	-55.9429	2.23923	HCA2	6619	0	0	0	0.09	
-6622	C1	SLES	1	-10.1532	-55.6947	4.44301	CC32A	6619	6623	6624	6625	-0.01	
-6623	H1B	SLES	1	-10.7732	-55.9515	5.3408	HCA2	6622	0	0	0	0.09	
-6624	H1A	SLES	1	-9.14762	-56.1697	4.55472	HCA2	6622	0	0	0	0.09	
-6625	O1	SLES	1	-9.88312	-54.34	4.60394	OC30A	6622	6626	0	0	-0.34	
-6626	C2	SLES	1	-10.2758	-53.4565	3.56951	CC32A	6625	6627	6628	6629	-0.01	
-6627	H2A	SLES	1	-11.3902	-53.5114	3.40701	HCA2	6626	0	0	0	0.09	
-6628	H2B	SLES	1	-9.76695	-53.7062	2.60914	HCA2	6626	0	0	0	0.09	
-6629	C1	SLES	1	-9.827	-52.2841	4.51555	CC32A	6626	6630	6631	6632	-0.01	
-6630	H1B	SLES	1	-10.8499	-51.8849	4.51667	HCA2	6629	0	0	0	0.09	
-6631	H1A	SLES	1	-9.05748	-52.1508	3.67149	HCA2	6629	0	0	0	0.09	
-6632	O1	SLES	1	-9.2163	-51.0947	4.94491	OC30A	6629	6633	0	0	-0.34	
-6633	C1	SLES	1	-9.52821	-49.8936	4.2536	CTL2	6632	6634	6635	6636	-0.18	
-6634	H11	SLES	1	-10.6211	-49.7022	4.06353	HAL2	6633	0	0	0	0.09	
-6635	H12	SLES	1	-9.01385	-49.8708	3.25992	HAL2	6633	0	0	0	0.09	
-6636	C2	SLES	1	-8.93821	-48.8849	5.23822	CTL2	6633	6637	6638	6639	-0.18	
-6637	H21	SLES	1	-9.47593	-48.8506	6.21613	HAL2	6636	0	0	0	0.09	
-6638	H22	SLES	1	-7.84879	-49.0439	5.42851	HAL2	6636	0	0	0	0.09	
-6639	C3	SLES	1	-9.11847	-47.598	4.53988	CTL2	6636	6640	6641	6642	-0.18	
-6640	H31	SLES	1	-10.2277	-47.509	4.38158	HAL2	6639	0	0	0	0.09	
-6641	H32	SLES	1	-8.55815	-47.7132	3.57109	HAL2	6639	0	0	0	0.09	
-6642	C4	SLES	1	-8.66114	-46.3132	5.15069	CTL2	6639	6643	6644	6645	-0.18	
-6643	H41	SLES	1	-9.17623	-46.1189	6.12367	HAL2	6642	0	0	0	0.09	
-6644	H42	SLES	1	-7.56171	-46.3203	5.338	HAL2	6642	0	0	0	0.09	
-6645	C5	SLES	1	-9.09442	-45.3715	4.01906	CTL2	6642	6646	6647	6648	-0.18	
-6646	H51	SLES	1	-10.1969	-45.4649	3.82983	HAL2	6645	0	0	0	0.09	
-6647	H52	SLES	1	-8.60116	-45.6631	3.05466	HAL2	6645	0	0	0	0.09	
-6648	C6	SLES	1	-8.82767	-43.9402	4.20206	CTL2	6645	6649	6650	6651	-0.18	
-6649	H61	SLES	1	-9.81772	-43.4198	4.09303	HAL2	6648	0	0	0	0.09	
-6650	H62	SLES	1	-8.21741	-43.6185	3.31583	HAL2	6648	0	0	0	0.09	
-6651	C7	SLES	1	-8.14074	-43.5244	5.5085	CTL2	6648	6652	6653	6654	-0.18	
-6652	H71	SLES	1	-8.73728	-43.7458	6.42485	HAL2	6651	0	0	0	0.09	
-6653	H72	SLES	1	-7.11722	-43.9468	5.63773	HAL2	6651	0	0	0	0.09	
-6654	C8	SLES	1	-8.07118	-42.058	5.27964	CTL2	6651	6655	6656	6657	-0.18	
-6655	H81	SLES	1	-9.1322	-41.7088	5.13673	HAL2	6654	0	0	0	0.09	
-6656	H82	SLES	1	-7.47775	-41.9147	4.33214	HAL2	6654	0	0	0	0.09	
-6657	C9	SLES	1	-7.46281	-41.1628	6.30204	CTL2	6654	6658	6659	6660	-0.18	
-6658	H91	SLES	1	-8.02139	-41.2395	7.26162	HAL2	6657	0	0	0	0.09	
-6659	H92	SLES	1	-6.39848	-41.4411	6.47214	HAL2	6657	0	0	0	0.09	
-6660	C10	SLES	1	-7.62956	-39.8098	5.61341	CTL2	6657	6661	6662	6663	-0.18	
-6661	H10	SLES	1	-8.71659	-39.6202	5.40205	HAL2	6660	0	0	0	0.09	
-6662	H10	SLES	1	-7.10562	-39.8203	4.61901	HAL2	6660	0	0	0	0.09	
-6663	C11	SLES	1	-7.10982	-38.6393	6.383	CTL2	6660	6664	6665	6666	-0.18	
-6664	H11	SLES	1	-7.64722	-38.6192	7.35966	HAL2	6663	0	0	0	0.09	
-6665	H11	SLES	1	-6.02645	-38.8208	6.57227	HAL2	6663	0	0	0	0.09	
-6666	C12	SLES	1	-7.34348	-37.3589	5.5762	CTL3	6663	6667	6668	6669	-0.27	
-6667	H12	SLES	1	-8.00689	-36.6725	6.13732	HAL3	6666	0	0	0	0.09	
-6668	H12	SLES	1	-6.37488	-36.8749	5.34377	HAL3	6666	0	0	0	0.09	
-6669	H12	SLES	1	-7.8439	-37.5577	4.59668	HAL3	6666	0	0	0	0.09	
-6670	NA	SLES	1	5.17836	-60.7651	4.54892	NA	0	0	0	0	1	
-6671	S	SLES	1	3.22032	-59.5812	2.56429	SL	6672	6673	6674	6675	1.33	
-6672	OS1	SLES	1	3.71491	-58.4306	3.33952	OSL	6671	6676	0	0	-0.28	
-6673	OS2	SLES	1	2.76974	-60.237	3.77153	O2L	6671	0	0	0	-0.65	
-6674	OS3	SLES	1	4.56294	-59.9167	2.1495	O2L	6671	0	0	0	-0.65	
-6675	OS4	SLES	1	2.27074	-59.0674	1.61763	O2L	6671	0	0	0	-0.65	
-6676	C2	SLES	1	3.39059	-57.107	3.18478	CC32A	6672	6677	6678	6679	-0.11	
-6677	H2A	SLES	1	2.29073	-56.9467	3.33813	HCA2	6676	0	0	0	0.09	
-6678	H2B	SLES	1	3.68941	-56.7372	2.16817	HCA2	6676	0	0	0	0.09	
-6679	C1	SLES	1	4.22132	-56.4384	4.30122	CC32A	6676	6680	6681	6682	-0.01	
-6680	H1B	SLES	1	3.936	-56.8398	5.30809	HCA2	6679	0	0	0	0.09	
-6681	H1A	SLES	1	5.3139	-56.6127	4.14287	HCA2	6679	0	0	0	0.09	
-6682	O1	SLES	1	4.14045	-55.0591	4.45999	OC30A	6679	6683	0	0	-0.34	
-6683	C2	SLES	1	3.27883	-54.34	3.59665	CC32A	6682	6684	6685	6686	-0.01	
-6684	H2A	SLES	1	2.21781	-54.7059	3.70549	HCA2	6683	0	0	0	0.09	
-6685	H2B	SLES	1	3.58429	-54.4571	2.53056	HCA2	6683	0	0	0	0.09	
-6686	C1	SLES	1	3.60713	-53.0708	4.46398	CC32A	6683	6687	6688	6689	-0.01	
-6687	H1B	SLES	1	2.54695	-52.9719	4.73205	HCA2	6686	0	0	0	0.09	
-6688	H1A	SLES	1	4.07851	-52.7453	3.46688	HCA2	6686	0	0	0	0.09	
-6689	O1	SLES	1	3.95429	-51.7504	4.79233	OC30A	6686	6690	0	0	-0.34	
-6690	C1	SLES	1	3.16498	-50.6971	4.25797	CTL2	6689	6691	6692	6693	-0.18	
-6691	H11	SLES	1	2.04965	-50.821	4.34724	HAL2	6690	0	0	0	0.09	
-6692	H12	SLES	1	3.39267	-50.5516	3.17193	HAL2	6690	0	0	0	0.09	
-6693	C2	SLES	1	3.67896	-49.5451	5.12036	CTL2	6690	6694	6695	6696	-0.18	
-6694	H21	SLES	1	3.41002	-49.6426	6.19963	HAL2	6693	0	0	0	0.09	
-6695	H22	SLES	1	4.7822	-49.3912	5.03378	HAL2	6693	0	0	0	0.09	
-6696	C3	SLES	1	2.98681	-48.373	4.55171	CTL2	6693	6697	6698	6699	-0.18	
-6697	H31	SLES	1	1.8922	-48.5991	4.67058	HAL2	6696	0	0	0	0.09	
-6698	H32	SLES	1	3.30118	-48.3468	3.47177	HAL2	6696	0	0	0	0.09	
-6699	C4	SLES	1	3.20982	-47	5.09773	CTL2	6696	6700	6701	6702	-0.18	
-6700	H41	SLES	1	2.91683	-46.9377	6.17478	HAL2	6699	0	0	0	0.09	
-6701	H42	SLES	1	4.27997	-46.6974	5.01347	HAL2	6699	0	0	0	0.09	
-6702	C5	SLES	1	2.27058	-46.2383	4.15292	CTL2	6699	6703	6704	6705	-0.18	
-6703	H51	SLES	1	1.22466	-46.6382	4.23103	HAL2	6702	0	0	0	0.09	
-6704	H52	SLES	1	2.57208	-46.4	3.08458	HAL2	6702	0	0	0	0.09	
-6705	C6	SLES	1	2.17108	-44.786	4.33771	CTL2	6702	6706	6707	6708	-0.18	
-6706	H61	SLES	1	1.08111	-44.5637	4.4972	HAL2	6705	0	0	0	0.09	
-6707	H62	SLES	1	2.43237	-44.3246	3.34766	HAL2	6705	0	0	0	0.09	
-6708	C7	SLES	1	3.01685	-44.1701	5.45883	CTL2	6705	6709	6710	6711	-0.18	
-6709	H71	SLES	1	2.74822	-44.5307	6.4798	HAL2	6708	0	0	0	0.09	
-6710	H72	SLES	1	4.11604	-44.2886	5.31576	HAL2	6708	0	0	0	0.09	
-6711	C8	SLES	1	2.62314	-42.7469	5.29385	CTL2	6708	6712	6713	6714	-0.18	
-6712	H81	SLES	1	1.50581	-42.7094	5.42905	HAL2	6711	0	0	0	0.09	
-6713	H82	SLES	1	2.90266	-42.4628	4.23953	HAL2	6711	0	0	0	0.09	
-6714	C9	SLES	1	3.19459	-41.6981	6.18273	CTL2	6711	6715	6716	6717	-0.18	
-6715	H91	SLES	1	2.9322	-41.9084	7.24368	HAL2	6714	0	0	0	0.09	
-6716	H92	SLES	1	4.30226	-41.666	6.07665	HAL2	6714	0	0	0	0.09	
-6717	C10	SLES	1	2.49927	-40.4585	5.62354	CTL2	6714	6718	6719	6720	-0.18	
-6718	H10	SLES	1	1.38469	-40.5829	5.69067	HAL2	6717	0	0	0	0.09	
-6719	H10	SLES	1	2.74483	-40.3424	4.53283	HAL2	6717	0	0	0	0.09	
-6720	C11	SLES	1	2.85068	-39.1749	6.30264	CTL2	6717	6721	6722	6723	-0.18	
-6721	H11	SLES	1	2.58563	-39.2859	7.37989	HAL2	6720	0	0	0	0.09	
-6722	H11	SLES	1	3.95422	-39.0442	6.21539	HAL2	6720	0	0	0	0.09	
-6723	C12	SLES	1	2.08401	-38.026	5.64143	CTL3	6720	6724	6725	6726	-0.27	
-6724	H12	SLES	1	1.41693	-37.5403	6.37984	HAL3	6723	0	0	0	0.09	
-6725	H12	SLES	1	2.79467	-37.2964	5.20662	HAL3	6723	0	0	0	0.09	
-6726	H12	SLES	1	1.43249	-38.3752	4.803	HAL3	6723	0	0	0	0.09	
-6727	NA	SLES	1	20.4409	-57.4134	4.16674	NA	0	0	0	0	1	
-6728	S	SLES	1	17.822	-56.9661	2.7122	SL	6729	6730	6731	6732	1.33	
-6729	OS1	SLES	1	18.1389	-55.6664	3.32851	OSL	6728	6733	0	0	-0.28	
-6730	OS2	SLES	1	17.8691	-57.6205	4.00064	O2L	6728	0	0	0	-0.65	
-6731	OS3	SLES	1	19.0694	-56.9581	1.98332	O2L	6728	0	0	0	-0.65	
-6732	OS4	SLES	1	16.5726	-56.8058	2.02282	O2L	6728	0	0	0	-0.65	
-6733	C2	SLES	1	17.4279	-54.4967	3.24332	CC32A	6729	6734	6735	6736	-0.11	
-6734	H2A	SLES	1	16.3948	-54.628	3.66103	HCA2	6733	0	0	0	0.09	
-6735	H2B	SLES	1	17.3646	-54.1424	2.18026	HCA2	6733	0	0	0	0.09	
-6736	C1	SLES	1	18.273	-53.5411	4.11301	CC32A	6733	6737	6738	6739	-0.01	
-6737	H1B	SLES	1	18.3554	-53.9228	5.16366	HCA2	6736	0	0	0	0.09	
-6738	H1A	SLES	1	19.302	-53.4255	3.6924	HCA2	6736	0	0	0	0.09	
-6739	O1	SLES	1	17.846	-52.227	4.27104	OC30A	6736	6740	0	0	-0.34	
-6740	C2	SLES	1	16.6401	-51.8393	3.63839	CC32A	6739	6741	6742	6743	-0.01	
-6741	H2A	SLES	1	15.7811	-52.4686	4.0094	HCA2	6740	0	0	0	0.09	
-6742	H2B	SLES	1	16.7087	-51.9543	2.53131	HCA2	6740	0	0	0	0.09	
-6743	C1	SLES	1	16.7902	-50.4634	4.38356	CC32A	6740	6744	6745	6746	-0.01	
-6744	H1B	SLES	1	15.8382	-50.6338	4.90338	HCA2	6743	0	0	0	0.09	
-6745	H1A	SLES	1	16.9046	-50.1034	3.29743	HCA2	6743	0	0	0	0.09	
-6746	O1	SLES	1	16.8177	-49.0764	4.60118	OC30A	6743	6747	0	0	-0.34	
-6747	C1	SLES	1	15.6616	-48.3222	4.26571	CTL2	6746	6748	6749	6750	-0.18	
-6748	H11	SLES	1	14.6794	-48.7355	4.62839	HAL2	6747	0	0	0	0.09	
-6749	H12	SLES	1	15.5792	-48.2079	3.15546	HAL2	6747	0	0	0	0.09	
-6750	C2	SLES	1	16.0165	-47.0089	4.9617	CTL2	6747	6751	6752	6753	-0.18	
-6751	H21	SLES	1	16.0454	-47.0888	6.075	HAL2	6750	0	0	0	0.09	
-6752	H22	SLES	1	16.9796	-46.5697	4.60427	HAL2	6750	0	0	0	0.09	
-6753	C3	SLES	1	14.9093	-46.1171	4.56772	CTL2	6750	6754	6755	6756	-0.18	
-6754	H31	SLES	1	13.982	-46.6205	4.95513	HAL2	6753	0	0	0	0.09	
-6755	H32	SLES	1	14.9426	-46.0934	3.44339	HAL2	6753	0	0	0	0.09	
-6756	C4	SLES	1	14.8573	-44.6958	5.02626	CTL2	6753	6757	6758	6759	-0.18	
-6757	H41	SLES	1	14.8182	-44.629	6.1415	HAL2	6756	0	0	0	0.09	
-6758	H42	SLES	1	15.7483	-44.1228	4.67753	HAL2	6756	0	0	0	0.09	
-6759	C5	SLES	1	13.5481	-44.2947	4.33329	CTL2	6756	6760	6761	6762	-0.18	
-6760	H51	SLES	1	12.7056	-44.9551	4.67119	HAL2	6759	0	0	0	0.09	
-6761	H52	SLES	1	13.6251	-44.4538	3.22552	HAL2	6759	0	0	0	0.09	
-6762	C6	SLES	1	13.0892	-42.9135	4.52029	CTL2	6759	6763	6764	6765	-0.18	
-6763	H61	SLES	1	12.0494	-42.9823	4.94081	HAL2	6762	0	0	0	0.09	
-6764	H62	SLES	1	12.9715	-42.4795	3.49118	HAL2	6762	0	0	0	0.09	
-6765	C7	SLES	1	13.9643	-42.0041	5.39141	CTL2	6762	6766	6767	6768	-0.18	
-6766	H71	SLES	1	14.054	-42.341	6.45114	HAL2	6765	0	0	0	0.09	
-6767	H72	SLES	1	14.9873	-41.8319	4.98335	HAL2	6765	0	0	0	0.09	
-6768	C8	SLES	1	13.1583	-40.7584	5.31225	CTL2	6765	6769	6770	6771	-0.18	
-6769	H81	SLES	1	12.1394	-41.0138	5.71808	HAL2	6768	0	0	0	0.09	
-6770	H82	SLES	1	13.0924	-40.4947	4.21839	HAL2	6768	0	0	0	0.09	
-6771	C9	SLES	1	13.6018	-39.5264	6.02093	CTL2	6768	6772	6773	6774	-0.18	
-6772	H91	SLES	1	13.6643	-39.7142	7.11616	HAL2	6771	0	0	0	0.09	
-6773	H92	SLES	1	14.5989	-39.2046	5.64491	HAL2	6771	0	0	0	0.09	
-6774	C10	SLES	1	12.4749	-38.5701	5.63613	CTL2	6771	6775	6776	6777	-0.18	
-6775	H10	SLES	1	11.4883	-38.9855	5.97717	HAL2	6774	0	0	0	0.09	
-6776	H10	SLES	1	12.4163	-38.4795	4.51728	HAL2	6774	0	0	0	0.09	
-6777	C11	SLES	1	12.5986	-37.1891	6.19303	CTL2	6774	6778	6779	6780	-0.18	
-6778	H11	SLES	1	12.6345	-37.2811	7.30357	HAL2	6777	0	0	0	0.09	
-6779	H11	SLES	1	13.5685	-36.7723	5.83515	HAL2	6777	0	0	0	0.09	
-6780	C12	SLES	1	11.407	-36.3472	5.72797	CTL3	6777	6781	6782	6783	-0.27	
-6781	H12	SLES	1	10.8215	-36.0026	6.60235	HAL3	6780	0	0	0	0.09	
-6782	H12	SLES	1	11.7614	-35.4898	5.1232	HAL3	6780	0	0	0	0.09	
-6783	H12	SLES	1	10.7035	-36.9256	5.07991	HAL3	6780	0	0	0	0.09	
-6784	NA	SLES	1	34.2467	-50.3474	3.71125	NA	0	0	0	0	1	
-6785	S	SLES	1	31.3691	-50.8094	2.88667	SL	6786	6787	6788	6789	1.33	
-6786	OS1	SLES	1	31.418	-49.4012	3.31525	OSL	6785	6790	0	0	-0.28	
-6787	OS2	SLES	1	31.8671	-51.2473	4.17156	O2L	6785	0	0	0	-0.65	
-6788	OS3	SLES	1	32.3832	-50.571	1.88565	O2L	6785	0	0	0	-0.65	
-6789	OS4	SLES	1	30.0125	-51.08	2.50152	O2L	6785	0	0	0	-0.65	
-6790	C2	SLES	1	30.3986	-48.4836	3.3157	CC32A	6786	6791	6792	6793	-0.11	
-6791	H2A	SLES	1	29.5564	-48.8254	3.97356	HCA2	6790	0	0	0	0.09	
-6792	H2B	SLES	1	30.0184	-48.3062	2.27477	HCA2	6790	0	0	0	0.09	
-6793	C1	SLES	1	31.0928	-47.23	3.8902	CC32A	6790	6794	6795	6796	-0.01	
-6794	H1B	SLES	1	31.4963	-47.4302	4.91657	HCA2	6793	0	0	0	0.09	
-6795	H1A	SLES	1	31.9352	-46.9047	3.23162	HCA2	6793	0	0	0	0.09	
-6796	O1	SLES	1	30.3476	-46.0666	4.04896	OC30A	6793	6797	0	0	-0.34	
-6797	C2	SLES	1	28.9778	-46.1008	3.6921	CC32A	6796	6798	6799	6800	-0.01	
-6798	H2A	SLES	1	28.4322	-46.8784	4.29968	HCA2	6797	0	0	0	0.09	
-6799	H2B	SLES	1	28.847	-46.3426	2.61136	HCA2	6797	0	0	0	0.09	
-6800	C1	SLES	1	28.8753	-44.6463	4.27936	CC32A	6797	6801	6802	6803	-0.01	
-6801	H1B	SLES	1	28.1412	-44.9901	5.0199	HCA2	6800	0	0	0	0.09	
-6802	H1A	SLES	1	28.6549	-44.4195	3.17376	HCA2	6800	0	0	0	0.09	
-6803	O1	SLES	1	28.5464	-43.2851	4.38345	OC30A	6800	6804	0	0	-0.34	
-6804	C1	SLES	1	27.1788	-42.9159	4.27634	CTL2	6803	6805	6806	6807	-0.18	
-6805	H11	SLES	1	26.454	-43.521	4.88929	HAL2	6804	0	0	0	0.09	
-6806	H12	SLES	1	26.8401	-42.9791	3.21155	HAL2	6804	0	0	0	0.09	
-6807	C2	SLES	1	27.2757	-41.4738	4.77221	CTL2	6804	6808	6809	6810	-0.18	
-6808	H21	SLES	1	27.5551	-41.3915	5.85009	HAL2	6807	0	0	0	0.09	
-6809	H22	SLES	1	27.9764	-40.8483	4.16699	HAL2	6807	0	0	0	0.09	
-6810	C3	SLES	1	25.9023	-40.9682	4.58691	CTL2	6807	6811	6812	6813	-0.18	
-6811	H31	SLES	1	25.2599	-41.6414	5.21738	HAL2	6810	0	0	0	0.09	
-6812	H32	SLES	1	25.695	-41.0891	3.48773	HAL2	6810	0	0	0	0.09	
-6813	C4	SLES	1	25.5387	-39.5627	4.94077	CTL2	6810	6814	6815	6816	-0.18	
-6814	H41	SLES	1	25.7126	-39.358	6.02595	HAL2	6813	0	0	0	0.09	
-6815	H42	SLES	1	26.135	-38.8273	4.3513	HAL2	6813	0	0	0	0.09	
-6816	C5	SLES	1	24.056	-39.6195	4.54883	CTL2	6813	6817	6818	6819	-0.18	
-6817	H51	SLES	1	23.528	-40.4269	5.12267	HAL2	6816	0	0	0	0.09	
-6818	H52	SLES	1	23.9457	-39.9013	3.46863	HAL2	6816	0	0	0	0.09	
-6819	C6	SLES	1	23.2676	-38.3965	4.73833	CTL2	6816	6820	6821	6822	-0.18	
-6820	H61	SLES	1	22.4015	-38.68	5.39598	HAL2	6819	0	0	0	0.09	
-6821	H62	SLES	1	22.8204	-38.1527	3.73737	HAL2	6819	0	0	0	0.09	
-6822	C7	SLES	1	24.0034	-37.1788	5.31048	CTL2	6819	6823	6824	6825	-0.18	
-6823	H71	SLES	1	24.4027	-37.3332	6.34069	HAL2	6822	0	0	0	0.09	
-6824	H72	SLES	1	24.8265	-36.7994	4.66139	HAL2	6822	0	0	0	0.09	
-6825	C8	SLES	1	22.8745	-36.2131	5.33369	CTL2	6822	6826	6827	6828	-0.18	
-6826	H81	SLES	1	22.0788	-36.6712	5.98567	HAL2	6825	0	0	0	0.09	
-6827	H82	SLES	1	22.5117	-36.1269	4.27005	HAL2	6825	0	0	0	0.09	
-6828	C9	SLES	1	23.0804	-34.8234	5.82681	CTL2	6825	6829	6830	6831	-0.18	
-6829	H91	SLES	1	23.4186	-34.8378	6.88706	HAL2	6828	0	0	0	0.09	
-6830	H92	SLES	1	23.8428	-34.3036	5.20405	HAL2	6828	0	0	0	0.09	
-6831	C10	SLES	1	21.6718	-34.2602	5.65039	CTL2	6828	6832	6833	6834	-0.18	
-6832	H10	SLES	1	20.939	-34.8713	6.24353	HAL2	6831	0	0	0	0.09	
-6833	H10	SLES	1	21.3605	-34.3409	4.57336	HAL2	6831	0	0	0	0.09	
-6834	C11	SLES	1	21.5044	-32.8334	6.06106	CTL2	6831	6835	6836	6837	-0.18	
-6835	H11	SLES	1	21.7932	-32.7612	7.1355	HAL2	6834	0	0	0	0.09	
-6836	H11	SLES	1	22.2176	-32.2276	5.45544	HAL2	6834	0	0	0	0.09	
-6837	C12	SLES	1	20.0517	-32.4073	5.83038	CTL3	6834	6838	6839	6840	-0.27	
-6838	H12	SLES	1	19.585	-32.1145	6.79087	HAL3	6837	0	0	0	0.09	
-6839	H12	SLES	1	20.0115	-31.577	5.09873	HAL3	6837	0	0	0	0.09	
-6840	H12	SLES	1	19.4269	-33.2334	5.41001	HAL3	6837	0	0	0	0.09	
-6841	NA	SLES	1	45.7242	-40.118	3.21106	NA	0	0	0	0	1	
-6842	S	SLES	1	43.0109	-41.4576	3.07674	SL	6843	6844	6845	6846	1.33	
-6843	OS1	SLES	1	42.7178	-40.0317	3.30058	OSL	6842	6847	0	0	-0.28	
-6844	OS2	SLES	1	43.8207	-41.5082	4.27354	O2L	6842	0	0	0	-0.65	
-6845	OS3	SLES	1	43.7309	-41.1496	1.86263	O2L	6842	0	0	0	-0.65	
-6846	OS4	SLES	1	41.7477	-42.1384	3.02367	O2L	6842	0	0	0	-0.65	
-6847	C2	SLES	1	41.4901	-39.4278	3.39738	CC32A	6843	6848	6849	6850	-0.11	
-6848	H2A	SLES	1	40.9053	-39.8516	4.25608	HCA2	6847	0	0	0	0.09	
-6849	H2B	SLES	1	40.9076	-39.5489	2.44573	HCA2	6847	0	0	0	0.09	
-6850	C1	SLES	1	41.8742	-37.9535	3.64678	CC32A	6847	6851	6852	6853	-0.01	
-6851	H1B	SLES	1	42.4829	-37.8507	4.58235	HCA2	6850	0	0	0	0.09	
-6852	H1A	SLES	1	42.4639	-37.5454	2.78948	HCA2	6850	0	0	0	0.09	
-6853	O1	SLES	1	40.8595	-37.0162	3.80771	OC30A	6850	6854	0	0	-0.34	
-6854	C2	SLES	1	39.5197	-37.4712	3.75442	CC32A	6853	6855	6856	6857	-0.01	
-6855	H2A	SLES	1	39.333	-38.2398	4.55806	HCA2	6854	0	0	0	0.09	
-6856	H2B	SLES	1	39.2878	-37.9318	2.76566	HCA2	6854	0	0	0	0.09	
-6857	C1	SLES	1	39.0969	-36.012	4.15792	CC32A	6854	6858	6859	6860	-0.01	
-6858	H1B	SLES	1	38.6281	-36.3944	5.07428	HCA2	6857	0	0	0	0.09	
-6859	H1A	SLES	1	38.6398	-36.0564	3.10366	HCA2	6857	0	0	0	0.09	
-6860	O1	SLES	1	38.4076	-34.7886	4.15284	OC30A	6857	6861	0	0	-0.34	
-6861	C1	SLES	1	36.9939	-34.815	4.28919	CTL2	6860	6862	6863	6864	-0.18	
-6862	H11	SLES	1	36.5889	-35.4659	5.11355	HAL2	6861	0	0	0	0.09	
-6863	H12	SLES	1	36.5166	-35.1576	3.33666	HAL2	6861	0	0	0	0.09	
-6864	C2	SLES	1	36.7473	-33.3322	4.56379	CTL2	6861	6865	6866	6867	-0.18	
-6865	H21	SLES	1	37.1653	-32.9846	5.53903	HAL2	6864	0	0	0	0.09	
-6866	H22	SLES	1	37.1248	-32.6669	3.74939	HAL2	6864	0	0	0	0.09	
-6867	C3	SLES	1	35.2753	-33.2453	4.60807	CTL2	6864	6868	6869	6870	-0.18	
-6868	H31	SLES	1	34.9708	-33.936	5.44083	HAL2	6867	0	0	0	0.09	
-6869	H32	SLES	1	34.9329	-33.6146	3.60201	HAL2	6867	0	0	0	0.09	
-6870	C4	SLES	1	34.5819	-31.9432	4.84662	CTL2	6867	6871	6872	6873	-0.18	
-6871	H41	SLES	1	34.8662	-31.5057	5.83536	HAL2	6870	0	0	0	0.09	
-6872	H42	SLES	1	34.8318	-31.1981	4.05529	HAL2	6870	0	0	0	0.09	
-6873	C5	SLES	1	33.1366	-32.4556	4.78599	CTL2	6870	6874	6875	6876	-0.18	
-6874	H51	SLES	1	32.9695	-33.254	5.55709	HAL2	6873	0	0	0	0.09	
-6875	H52	SLES	1	32.9356	-32.9486	3.79862	HAL2	6873	0	0	0	0.09	
-6876	C6	SLES	1	32.0689	-31.4675	4.97812	CTL2	6873	6877	6878	6879	-0.18	
-6877	H61	SLES	1	31.4446	-31.8422	5.83412	HAL2	6876	0	0	0	0.09	
-6878	H62	SLES	1	31.4106	-31.5357	4.07076	HAL2	6876	0	0	0	0.09	
-6879	C7	SLES	1	32.5023	-30.0167	5.22111	CTL2	6876	6880	6881	6882	-0.18	
-6880	H71	SLES	1	33.0943	-29.8708	6.15538	HAL2	6879	0	0	0	0.09	
-6881	H72	SLES	1	33.0596	-29.5607	4.37011	HAL2	6879	0	0	0	0.09	
-6882	C8	SLES	1	31.1613	-29.3917	5.35681	CTL2	6879	6883	6884	6885	-0.18	
-6883	H81	SLES	1	30.6532	-29.9146	6.21499	HAL2	6882	0	0	0	0.09	
-6884	H82	SLES	1	30.6179	-29.5988	4.39126	HAL2	6882	0	0	0	0.09	
-6885	C9	SLES	1	31.0322	-27.9306	5.61256	CTL2	6882	6886	6887	6888	-0.18	
-6886	H91	SLES	1	31.5308	-27.6624	6.57077	HAL2	6885	0	0	0	0.09	
-6887	H92	SLES	1	31.4957	-27.3525	4.78178	HAL2	6885	0	0	0	0.09	
-6888	C10	SLES	1	29.5117	-27.7965	5.66542	CTL2	6885	6889	6890	6891	-0.18	
-6889	H10	SLES	1	29.0977	-28.4588	6.47304	HAL2	6888	0	0	0	0.09	
-6890	H10	SLES	1	29.0633	-28.1509	4.69753	HAL2	6888	0	0	0	0.09	
-6891	C11	SLES	1	29.0064	-26.4127	5.91503	CTL2	6888	6892	6893	6894	-0.18	
-6892	H11	SLES	1	29.4357	-26.0729	6.88625	HAL2	6891	0	0	0	0.09	
-6893	H11	SLES	1	29.4015	-25.7629	5.10012	HAL2	6891	0	0	0	0.09	
-6894	C12	SLES	1	27.4754	-26.4301	5.94223	CTL3	6891	6895	6896	6897	-0.27	
-6895	H12	SLES	1	27.1097	-26.099	6.93353	HAL3	6894	0	0	0	0.09	
-6896	H12	SLES	1	27.0743	-25.787	5.13477	HAL3	6894	0	0	0	0.09	
-6897	H12	SLES	1	27.0577	-27.453	5.77257	HAL3	6894	0	0	0	0.09	
-6898	NA	SLES	1	54.1998	-27.4641	2.69761	NA	0	0	0	0	1	
-6899	S	SLES	1	51.9968	-29.4624	3.27047	SL	6900	6901	6902	6903	1.33	
-6900	OS1	SLES	1	51.3295	-28.1495	3.28542	OSL	6899	6904	0	0	-0.28	
-6901	OS2	SLES	1	52.9185	-29.0373	4.30019	O2L	6899	0	0	0	-0.65	
-6902	OS3	SLES	1	52.4512	-29.2493	1.9157	O2L	6899	0	0	0	-0.65	
-6903	OS4	SLES	1	50.9889	-30.4444	3.55645	O2L	6899	0	0	0	-0.65	
-6904	C2	SLES	1	49.9989	-27.8816	3.48323	CC32A	6900	6905	6906	6907	-0.11	
-6905	H2A	SLES	1	49.6657	-28.2458	4.49083	HCA2	6904	0	0	0	0.09	
-6906	H2B	SLES	1	49.3713	-28.3552	2.68242	HCA2	6904	0	0	0	0.09	
-6907	C1	SLES	1	49.9637	-26.3405	3.39806	CC32A	6904	6908	6909	6910	-0.01	
-6908	H1B	SLES	1	50.6197	-25.8807	4.18201	HCA2	6907	0	0	0	0.09	
-6909	H1A	SLES	1	50.3064	-25.9896	2.39375	HCA2	6907	0	0	0	0.09	
-6910	O1	SLES	1	48.7458	-25.6895	3.56244	OC30A	6907	6911	0	0	-0.34	
-6911	C2	SLES	1	47.5995	-26.4793	3.82142	CC32A	6910	6912	6913	6914	-0.01	
-6912	H2A	SLES	1	47.7383	-27.0756	4.76833	HCA2	6911	0	0	0	0.09	
-6913	H2B	SLES	1	47.3993	-27.1885	2.98454	HCA2	6911	0	0	0	0.09	
-6914	C1	SLES	1	46.82	-25.1298	4.02688	CC32A	6911	6915	6916	6917	-0.01	
-6915	H1B	SLES	1	46.5916	-25.4121	5.0631	HCA2	6914	0	0	0	0.09	
-6916	H1A	SLES	1	46.2773	-25.5209	3.09153	HCA2	6914	0	0	0	0.09	
-6917	O1	SLES	1	45.8089	-24.1608	3.92382	OC30A	6914	6918	0	0	-0.34	
-6918	C1	SLES	1	44.4896	-24.5256	4.30346	CTL2	6917	6919	6920	6921	-0.18	
-6919	H11	SLES	1	44.3892	-25.0638	5.2871	HAL2	6918	0	0	0	0.09	
-6920	H12	SLES	1	44.0262	-25.1802	3.52294	HAL2	6918	0	0	0	0.09	
-6921	C2	SLES	1	43.8557	-23.1359	4.34954	CTL2	6918	6922	6923	6924	-0.18	
-6922	H21	SLES	1	44.264	-22.4871	5.16136	HAL2	6921	0	0	0	0.09	
-6923	H22	SLES	1	43.927	-22.5893	3.37773	HAL2	6921	0	0	0	0.09	
-6924	C3	SLES	1	42.4374	-23.4294	4.62987	CTL2	6921	6925	6926	6927	-0.18	
-6925	H31	SLES	1	42.445	-23.977	5.61145	HAL2	6924	0	0	0	0.09	
-6926	H32	SLES	1	42.1037	-24.0855	3.77903	HAL2	6924	0	0	0	0.09	
-6927	C4	SLES	1	41.4276	-22.3344	4.74975	CTL2	6924	6928	6929	6930	-0.18	
-6928	H41	SLES	1	41.6843	-21.6332	5.58172	HAL2	6927	0	0	0	0.09	
-6929	H42	SLES	1	41.3571	-21.741	3.80807	HAL2	6927	0	0	0	0.09	
-6930	C5	SLES	1	40.1969	-23.2073	5.02988	CTL2	6927	6931	6932	6933	-0.18	
-6931	H51	SLES	1	40.3593	-23.8337	5.94716	HAL2	6930	0	0	0	0.09	
-6932	H52	SLES	1	40.0356	-23.9388	4.19477	HAL2	6930	0	0	0	0.09	
-6933	C6	SLES	1	38.9176	-22.5155	5.2246	CTL2	6930	6934	6935	6936	-0.18	
-6934	H61	SLES	1	38.5322	-22.8444	6.22769	HAL2	6933	0	0	0	0.09	
-6935	H62	SLES	1	38.2076	-22.9497	4.4704	HAL2	6933	0	0	0	0.09	
-6936	C7	SLES	1	38.9353	-20.9851	5.12894	CTL2	6933	6937	6938	6939	-0.18	
-6937	H71	SLES	1	39.5628	-20.4894	5.90686	HAL2	6936	0	0	0	0.09	
-6938	H72	SLES	1	39.2339	-20.5962	4.12781	HAL2	6936	0	0	0	0.09	
-6939	C8	SLES	1	37.4954	-20.7185	5.38016	CTL2	6936	6940	6941	6942	-0.18	
-6940	H81	SLES	1	37.2637	-21.1559	6.39165	HAL2	6939	0	0	0	0.09	
-6941	H82	SLES	1	36.9283	-21.2658	4.57441	HAL2	6939	0	0	0	0.09	
-6942	C9	SLES	1	36.9773	-19.3227	5.39165	CTL2	6939	6943	6944	6945	-0.18	
-6943	H91	SLES	1	37.4833	-18.7312	6.18718	HAL2	6942	0	0	0	0.09	
-6944	H92	SLES	1	37.1537	-18.8391	4.40463	HAL2	6942	0	0	0	0.09	
-6945	C10	SLES	1	35.5002	-19.5827	5.68029	CTL2	6942	6946	6947	6948	-0.18	
-6946	H10	SLES	1	35.3927	-20.1376	6.65126	HAL2	6945	0	0	0	0.09	
-6947	H10	SLES	1	35.0658	-20.2441	4.882	HAL2	6945	0	0	0	0.09	
-6948	C11	SLES	1	34.6466	-18.3592	5.76411	CTL2	6945	6949	6950	6951	-0.18	
-6949	H11	SLES	1	35.0673	-17.7157	6.57146	HAL2	6948	0	0	0	0.09	
-6950	H11	SLES	1	34.7389	-17.8226	4.79152	HAL2	6948	0	0	0	0.09	
-6951	C12	SLES	1	33.2006	-18.77	6.05648	CTL3	6948	6952	6953	6954	-0.27	
-6952	H12	SLES	1	32.8712	-18.3381	7.0214	HAL3	6951	0	0	0	0.09	
-6953	H12	SLES	1	32.5396	-18.4462	5.22905	HAL3	6951	0	0	0	0.09	
-6954	H12	SLES	1	33.0818	-19.8779	6.14479	HAL3	6951	0	0	0	0.09	
-6955	NA	SLES	1	59.2292	-13.2418	2.20315	NA	0	0	0	0	1	
-6956	S	SLES	1	57.7283	-15.5555	3.45568	SL	6957	6958	6959	6960	1.33	
-6957	OS1	SLES	1	56.7145	-14.5031	3.27071	OSL	6956	6961	0	0	-0.28	
-6958	OS2	SLES	1	58.5469	-14.6667	4.24981	O2L	6956	0	0	0	-0.65	
-6959	OS3	SLES	1	58.0239	-15.5607	2.04152	O2L	6956	0	0	0	-0.65	
-6960	OS4	SLES	1	57.0624	-16.6715	4.06639	O2L	6956	0	0	0	-0.65	
-6961	C2	SLES	1	55.3767	-14.559	3.56786	CC32A	6957	6962	6963	6964	-0.11	
-6962	H2A	SLES	1	55.2203	-14.7459	4.66308	HCA2	6961	0	0	0	0.09	
-6963	H2B	SLES	1	54.8663	-15.3599	2.96996	HCA2	6961	0	0	0	0.09	
-6964	C1	SLES	1	54.8963	-13.1497	3.15966	CC32A	6961	6965	6966	6967	-0.01	
-6965	H1B	SLES	1	55.4368	-12.3581	3.7407	HCA2	6964	0	0	0	0.09	
-6966	H1A	SLES	1	55.0657	-12.9718	2.0693	HCA2	6964	0	0	0	0.09	
-6967	O1	SLES	1	53.5544	-12.8258	3.32857	OC30A	6964	6968	0	0	-0.34	
-6968	C2	SLES	1	52.6995	-13.8056	3.8889	CC32A	6967	6969	6970	6971	-0.01	
-6969	H2A	SLES	1	53.0575	-14.0985	4.91726	HCA2	6968	0	0	0	0.09	
-6970	H2B	SLES	1	52.6633	-14.7218	3.25422	HCA2	6968	0	0	0	0.09	
-6971	C1	SLES	1	51.5789	-12.7033	3.89446	CC32A	6968	6972	6973	6974	-0.01	
-6972	H1B	SLES	1	51.5009	-12.779	4.98707	HCA2	6971	0	0	0	0.09	
-6973	H1A	SLES	1	51.1184	-13.4369	3.13813	HCA2	6971	0	0	0	0.09	
-6974	O1	SLES	1	50.3283	-12.0916	3.7108	OC30A	6971	6975	0	0	-0.34	
-6975	C1	SLES	1	49.1929	-12.6916	4.31824	CTL2	6974	6976	6977	6978	-0.18	
-6976	H11	SLES	1	49.3077	-12.9849	5.39901	HAL2	6975	0	0	0	0.09	
-6977	H12	SLES	1	48.8927	-13.6132	3.75867	HAL2	6975	0	0	0	0.09	
-6978	C2	SLES	1	48.191	-11.5513	4.14292	CTL2	6975	6979	6980	6981	-0.18	
-6979	H21	SLES	1	48.442	-10.6424	4.74081	HAL2	6978	0	0	0	0.09	
-6980	H22	SLES	1	48.0466	-11.255	3.07536	HAL2	6978	0	0	0	0.09	
-6981	C3	SLES	1	46.9349	-12.1348	4.65095	CTL2	6978	6982	6983	6984	-0.18	
-6982	H31	SLES	1	47.1555	-12.4087	5.71852	HAL2	6981	0	0	0	0.09	
-6983	H32	SLES	1	46.7551	-13.0402	4.00769	HAL2	6981	0	0	0	0.09	
-6984	C4	SLES	1	45.6622	-11.3518	4.65622	CTL2	6981	6985	6986	6987	-0.18	
-6985	H41	SLES	1	45.7543	-10.4293	5.28097	HAL2	6984	0	0	0	0.09	
-6986	H42	SLES	1	45.3706	-11.0422	3.62521	HAL2	6984	0	0	0	0.09	
-6987	C5	SLES	1	44.7516	-12.4266	5.26518	CTL2	6984	6988	6989	6990	-0.18	
-6988	H51	SLES	1	45.1391	-12.7483	6.26837	HAL2	6987	0	0	0	0.09	
-6989	H52	SLES	1	44.7592	-13.3527	4.63219	HAL2	6987	0	0	0	0.09	
-6990	C6	SLES	1	43.341	-12.0736	5.46228	CTL2	6987	6991	6992	6993	-0.18	
-6991	H61	SLES	1	43.1244	-12.2426	6.55196	HAL2	6990	0	0	0	0.09	
-6992	H62	SLES	1	42.7433	-12.8484	4.91118	HAL2	6990	0	0	0	0.09	
-6993	C7	SLES	1	42.9137	-10.6628	5.03974	CTL2	6990	6994	6995	6996	-0.18	
-6994	H71	SLES	1	43.4162	-9.84673	5.61074	HAL2	6993	0	0	0	0.09	
-6995	H72	SLES	1	43.0303	-10.4604	3.94972	HAL2	6993	0	0	0	0.09	
-6996	C8	SLES	1	41.4746	-10.736	5.40228	CTL2	6993	6997	6998	6999	-0.18	
-6997	H81	SLES	1	41.4366	-10.9634	6.50453	HAL2	6996	0	0	0	0.09	
-6998	H82	SLES	1	41.043	-11.591	4.80799	HAL2	6996	0	0	0	0.09	
-6999	C9	SLES	1	40.5796	-9.56748	5.17795	CTL2	6996	7000	7001	7002	-0.18	
-7000	H91	SLES	1	40.9396	-8.69003	5.76038	HAL2	6999	0	0	0	0.09	
-7001	H92	SLES	1	40.553	-9.30577	4.09629	HAL2	6999	0	0	0	0.09	
-7002	C10	SLES	1	39.2582	-10.1333	5.69405	CTL2	6999	7003	7004	7005	-0.18	
-7003	H10	SLES	1	39.3702	-10.4471	6.76699	HAL2	7002	0	0	0	0.09	
-7004	H10	SLES	1	38.9867	-11.0577	5.11518	HAL2	7002	0	0	0	0.09	
-7005	C11	SLES	1	38.0959	-9.19751	5.61778	CTL2	7002	7006	7007	7008	-0.18	
-7006	H11	SLES	1	38.3601	-8.29118	6.21093	HAL2	7005	0	0	0	0.09	
-7007	H11	SLES	1	37.9745	-8.90511	4.54902	HAL2	7005	0	0	0	0.09	
-7008	C12	SLES	1	36.8477	-9.89495	6.16597	CTL3	7005	7009	7010	7011	-0.27	
-7009	H12	SLES	1	36.4642	-9.34779	7.04893	HAL3	7008	0	0	0	0.09	
-7010	H12	SLES	1	36.0753	-9.96661	5.37564	HAL3	7008	0	0	0	0.09	
-7011	H12	SLES	1	37.0569	-10.9399	6.5033	HAL3	7008	0	0	0	0.09	
-7012	NA	SLES	1	56.1462	1.64418	-13.6115	NA	0	0	0	0	1	
-7013	S	SLES	1	55.8572	-0.607557	-11.6065	SL	7014	7015	7016	7017	1.33	
-7014	OS1	SLES	1	54.5392	0.0495181	-11.6295	OSL	7013	7018	0	0	-0.28	
-7015	OS2	SLES	1	56.5035	0.637759	-11.257	O2L	7013	0	0	0	-0.65	
-7016	OS3	SLES	1	55.7789	-0.880562	-13.023	O2L	7013	0	0	0	-0.65	
-7017	OS4	SLES	1	55.7723	-1.67631	-10.6512	O2L	7013	0	0	0	-0.65	
-7018	C2	SLES	1	53.4132	-0.293442	-10.9255	CC32A	7014	7019	7020	7021	-0.11	
-7019	H2A	SLES	1	53.6032	-0.239842	-9.82099	HCA2	7018	0	0	0	0.09	
-7020	H2B	SLES	1	53.0668	-1.32482	-11.2009	HCA2	7018	0	0	0	0.09	
-7021	C1	SLES	1	52.4071	0.785828	-11.38	CC32A	7018	7022	7023	7024	-0.01	
-7022	H1B	SLES	1	52.7798	1.81251	-11.1283	HCA2	7021	0	0	0	0.09	
-7023	H1A	SLES	1	52.2331	0.728524	-12.4825	HCA2	7021	0	0	0	0.09	
-7024	O1	SLES	1	51.1196	0.763312	-10.8546	OC30A	7021	7025	0	0	-0.34	
-7025	C2	SLES	1	50.805	-0.242648	-9.90915	CC32A	7024	7026	7027	7028	-0.01	
-7026	H2A	SLES	1	51.4821	-0.164001	-9.01089	HCA2	7025	0	0	0	0.09	
-7027	H2B	SLES	1	50.9195	-1.26114	-10.3486	HCA2	7025	0	0	0	0.09	
-7028	C1	SLES	1	49.4202	0.478817	-9.72821	CC32A	7025	7029	7030	7031	-0.01	
-7029	H1B	SLES	1	49.6441	0.65649	-8.66804	HCA2	7028	0	0	0	0.09	
-7030	H1A	SLES	1	49.0578	-0.515444	-10.1782	HCA2	7028	0	0	0	0.09	
-7031	O1	SLES	1	48.0332	0.661847	-9.60692	OC30A	7028	7032	0	0	-0.34	
-7032	C1	SLES	1	47.3488	-0.0556061	-8.58967	CTL2	7031	7033	7034	7035	-0.18	
-7033	H11	SLES	1	47.8175	-0.0306716	-7.56646	HAL2	7032	0	0	0	0.09	
-7034	H12	SLES	1	47.2433	-1.13244	-8.87565	HAL2	7032	0	0	0	0.09	
-7035	C2	SLES	1	46.0148	0.688909	-8.62117	CTL2	7032	7036	7037	7038	-0.18	
-7036	H21	SLES	1	46.0891	1.75006	-8.28194	HAL2	7035	0	0	0	0.09	
-7037	H22	SLES	1	45.5214	0.661981	-9.62324	HAL2	7035	0	0	0	0.09	
-7038	C3	SLES	1	45.1904	-0.0705721	-7.66207	CTL2	7035	7039	7040	7041	-0.18	
-7039	H31	SLES	1	45.7457	-0.00200562	-6.68723	HAL2	7038	0	0	0	0.09	
-7040	H32	SLES	1	45.1685	-1.1202	-8.06653	HAL2	7038	0	0	0	0.09	
-7041	C4	SLES	1	43.7731	0.312422	-7.38379	CTL2	7038	7042	7043	7044	-0.18	
-7042	H41	SLES	1	43.7049	1.34952	-6.97204	HAL2	7041	0	0	0	0.09	
-7043	H42	SLES	1	43.1502	0.266707	-8.30783	HAL2	7041	0	0	0	0.09	
-7044	C5	SLES	1	43.4513	-0.785032	-6.36048	CTL2	7041	7045	7046	7047	-0.18	
-7045	H51	SLES	1	44.1585	-0.731426	-5.49044	HAL2	7044	0	0	0	0.09	
-7046	H52	SLES	1	43.6094	-1.8004	-6.81042	HAL2	7044	0	0	0	0.09	
-7047	C6	SLES	1	42.0985	-0.792326	-5.79185	CTL2	7044	7048	7049	7050	-0.18	
-7048	H61	SLES	1	42.2264	-0.739757	-4.67662	HAL2	7047	0	0	0	0.09	
-7049	H62	SLES	1	41.6756	-1.81162	-6.0003	HAL2	7047	0	0	0	0.09	
-7050	C7	SLES	1	41.1368	0.29928	-6.27654	CTL2	7047	7051	7052	7053	-0.18	
-7051	H71	SLES	1	41.4643	1.33595	-6.02629	HAL2	7050	0	0	0	0.09	
-7052	H72	SLES	1	40.9066	0.250531	-7.3662	HAL2	7050	0	0	0	0.09	
-7053	C8	SLES	1	39.9405	-0.0712677	-5.47703	CTL2	7050	7054	7055	7056	-0.18	
-7054	H81	SLES	1	40.2535	-0.0213796	-4.39644	HAL2	7053	0	0	0	0.09	
-7055	H82	SLES	1	39.6847	-1.13052	-5.7651	HAL2	7053	0	0	0	0.09	
-7056	C9	SLES	1	38.6824	0.716524	-5.5922	CTL2	7053	7057	7058	7059	-0.18	
-7057	H91	SLES	1	38.8625	1.77424	-5.29646	HAL2	7056	0	0	0	0.09	
-7058	H92	SLES	1	38.3042	0.685989	-6.63874	HAL2	7056	0	0	0	0.09	
-7059	C10	SLES	1	37.7947	-0.0423176	-4.60797	CTL2	7056	7060	7061	7062	-0.18	
-7060	H10	SLES	1	38.2657	-0.0391775	-3.588	HAL2	7059	0	0	0	0.09	
-7061	H10	SLES	1	37.7114	-1.11881	-4.92051	HAL2	7059	0	0	0	0.09	
-7062	C11	SLES	1	36.407	0.492708	-4.46452	CTL2	7059	7063	7064	7065	-0.18	
-7063	H11	SLES	1	36.493	1.55386	-4.13344	HAL2	7062	0	0	0	0.09	
-7064	H11	SLES	1	35.9355	0.468091	-5.47427	HAL2	7062	0	0	0	0.09	
-7065	C12	SLES	1	35.6375	-0.360704	-3.45232	CTL3	7062	7066	7067	7068	-0.27	
-7066	H12	SLES	1	35.3247	0.261463	-2.59142	HAL3	7065	0	0	0	0.09	
-7067	H12	SLES	1	34.7629	-0.832578	-3.94109	HAL3	7065	0	0	0	0.09	
-7068	H12	SLES	1	36.2581	-1.19245	-3.03704	HAL3	7065	0	0	0	0.09	
-7069	NA	SLES	1	53.7643	15.7148	-13.9653	NA	0	0	0	0	1	
-7070	S	SLES	1	54.1249	14.0265	-11.4766	SL	7071	7072	7073	7074	1.33	
-7071	OS1	SLES	1	52.6666	14.1519	-11.6402	OSL	7070	7075	0	0	-0.28	
-7072	OS2	SLES	1	54.2733	15.4643	-11.4429	O2L	7070	0	0	0	-0.65	
-7073	OS3	SLES	1	54.2502	13.4283	-12.7857	O2L	7070	0	0	0	-0.65	
-7074	OS4	SLES	1	54.3447	13.2444	-10.2926	O2L	7070	0	0	0	-0.65	
-7075	C2	SLES	1	51.68	13.6034	-10.8611	CC32A	7071	7076	7077	7078	-0.11	
-7076	H2A	SLES	1	51.758	13.9708	-9.80384	HCA2	7075	0	0	0	0.09	
-7077	H2B	SLES	1	51.7327	12.4825	-10.8777	HCA2	7075	0	0	0	0.09	
-7078	C1	SLES	1	50.3992	14.1238	-11.5483	CC32A	7075	7079	7080	7081	-0.01	
-7079	H1B	SLES	1	50.3744	15.2444	-11.5539	HCA2	7078	0	0	0	0.09	
-7080	H1A	SLES	1	50.3373	13.7592	-12.603	HCA2	7078	0	0	0	0.09	
-7081	O1	SLES	1	49.1639	13.7684	-11.0173	OC30A	7078	7082	0	0	-0.34	
-7082	C2	SLES	1	49.1478	12.9599	-9.85506	CC32A	7081	7083	7084	7085	-0.01	
-7083	H2A	SLES	1	49.6879	13.475	-9.00988	HCA2	7082	0	0	0	0.09	
-7084	H2B	SLES	1	49.6393	11.9761	-10.0396	HCA2	7082	0	0	0	0.09	
-7085	C1	SLES	1	47.5897	13.1666	-9.83521	CC32A	7082	7086	7087	7088	-0.01	
-7086	H1B	SLES	1	47.6597	13.6485	-8.85105	HCA2	7085	0	0	0	0.09	
-7087	H1A	SLES	1	47.6274	12.0339	-10.03	HCA2	7085	0	0	0	0.09	
-7088	O1	SLES	1	46.22	12.8705	-9.7445	OC30A	7085	7089	0	0	-0.34	
-7089	C1	SLES	1	45.753	12.2095	-8.57704	CTL2	7088	7090	7091	7092	-0.18	
-7090	H11	SLES	1	46.1076	12.6308	-7.5952	HAL2	7089	0	0	0	0.09	
-7091	H12	SLES	1	46.0475	11.13	-8.59594	HAL2	7089	0	0	0	0.09	
-7092	C2	SLES	1	44.25	12.4067	-8.76958	CTL2	7089	7093	7094	7095	-0.18	
-7093	H21	SLES	1	43.9278	13.4731	-8.69485	HAL2	7092	0	0	0	0.09	
-7094	H22	SLES	1	43.8714	11.9797	-9.73012	HAL2	7092	0	0	0	0.09	
-7095	C3	SLES	1	43.6708	11.645	-7.64683	CTL2	7092	7096	7097	7098	-0.18	
-7096	H31	SLES	1	44.095	12.1254	-6.72344	HAL2	7095	0	0	0	0.09	
-7097	H32	SLES	1	44.0429	10.5927	-7.78829	HAL2	7095	0	0	0	0.09	
-7098	C4	SLES	1	42.1921	11.5553	-7.45115	CTL2	7095	7099	7100	7101	-0.18	
-7099	H41	SLES	1	41.7396	12.5661	-7.29855	HAL2	7098	0	0	0	0.09	
-7100	H42	SLES	1	41.6932	11.0833	-8.32989	HAL2	7098	0	0	0	0.09	
-7101	C5	SLES	1	42.1952	10.679	-6.19131	CTL2	7098	7102	7103	7104	-0.18	
-7102	H51	SLES	1	42.7743	11.1757	-5.36791	HAL2	7101	0	0	0	0.09	
-7103	H52	SLES	1	42.7271	9.71098	-6.38728	HAL2	7101	0	0	0	0.09	
-7104	C6	SLES	1	40.8905	10.3241	-5.62118	CTL2	7101	7105	7106	7107	-0.18	
-7105	H61	SLES	1	40.9099	10.6711	-4.55249	HAL2	7104	0	0	0	0.09	
-7106	H62	SLES	1	40.8624	9.20237	-5.57474	HAL2	7104	0	0	0	0.09	
-7107	C7	SLES	1	39.649	10.8645	-6.3412	CTL2	7104	7108	7109	7110	-0.18	
-7108	H71	SLES	1	39.5787	11.9779	-6.35007	HAL2	7107	0	0	0	0.09	
-7109	H72	SLES	1	39.5307	10.4907	-7.38475	HAL2	7107	0	0	0	0.09	
-7110	C8	SLES	1	38.5993	10.2879	-5.46193	CTL2	7107	7111	7112	7113	-0.18	
-7111	H81	SLES	1	38.7954	10.69	-4.42848	HAL2	7110	0	0	0	0.09	
-7112	H82	SLES	1	38.7473	9.17081	-5.48526	HAL2	7110	0	0	0	0.09	
-7113	C9	SLES	1	37.1585	10.5321	-5.74698	CTL2	7110	7114	7115	7116	-0.18	
-7114	H91	SLES	1	36.9396	11.6229	-5.71493	HAL2	7113	0	0	0	0.09	
-7115	H92	SLES	1	36.8922	10.1324	-6.75122	HAL2	7113	0	0	0	0.09	
-7116	C10	SLES	1	36.518	9.75431	-4.59922	CTL2	7113	7117	7118	7119	-0.18	
-7117	H10	SLES	1	36.8826	10.1559	-3.61534	HAL2	7116	0	0	0	0.09	
-7118	H10	SLES	1	36.8352	8.67691	-4.64426	HAL2	7116	0	0	0	0.09	
-7119	C11	SLES	1	35.0244	9.78234	-4.57116	CTL2	7116	7120	7121	7122	-0.18	
-7120	H11	SLES	1	34.7137	10.851	-4.50448	HAL2	7119	0	0	0	0.09	
-7121	H11	SLES	1	34.6661	9.36341	-5.53997	HAL2	7119	0	0	0	0.09	
-7122	C12	SLES	1	34.5252	8.96683	-3.37506	CTL3	7119	7123	7124	7125	-0.27	
-7123	H12	SLES	1	33.9542	9.61705	-2.6842	HAL3	7122	0	0	0	0.09	
-7124	H12	SLES	1	33.9061	8.1184	-3.72625	HAL3	7122	0	0	0	0.09	
-7125	H12	SLES	1	35.3627	8.52594	-2.78045	HAL3	7122	0	0	0	0.09	
-7126	NA	SLES	1	48.0082	28.6389	-14.2161	NA	0	0	0	0	1	
-7127	S	SLES	1	48.5932	27.7307	-11.3864	SL	7128	7129	7130	7131	1.33	
-7128	OS1	SLES	1	47.2132	27.2875	-11.6479	OSL	7127	7132	0	0	-0.28	
-7129	OS2	SLES	1	48.2395	29.1009	-11.6828	O2L	7127	0	0	0	-0.65	
-7130	OS3	SLES	1	49.083	26.9675	-12.5112	O2L	7127	0	0	0	-0.65	
-7131	OS4	SLES	1	48.9094	27.3352	-10.0427	O2L	7127	0	0	0	-0.65	
-7132	C2	SLES	1	46.3787	26.5895	-10.8127	CC32A	7128	7133	7134	7135	-0.11	
-7133	H2A	SLES	1	46.1894	27.1649	-9.86826	HCA2	7132	0	0	0	0.09	
-7134	H2B	SLES	1	46.8102	25.5838	-10.5638	HCA2	7132	0	0	0	0.09	
-7135	C1	SLES	1	45.0982	26.4647	-11.6661	CC32A	7132	7136	7137	7138	-0.01	
-7136	H1B	SLES	1	44.6959	27.4757	-11.9351	HCA2	7135	0	0	0	0.09	
-7137	H1A	SLES	1	45.3013	25.8981	-12.6079	HCA2	7135	0	0	0	0.09	
-7138	O1	SLES	1	43.9989	25.8033	-11.1294	OC30A	7135	7139	0	0	-0.34	
-7139	C2	SLES	1	44.107	25.2945	-9.8125	CC32A	7138	7140	7141	7142	-0.01	
-7140	H2A	SLES	1	44.3256	26.1281	-9.08536	HCA2	7139	0	0	0	0.09	
-7141	H2B	SLES	1	44.9226	24.5378	-9.73665	HCA2	7139	0	0	0	0.09	
-7142	C1	SLES	1	42.5826	24.9264	-9.91992	CC32A	7139	7143	7144	7145	-0.01	
-7143	H1B	SLES	1	42.3565	25.5885	-9.07367	HCA2	7142	0	0	0	0.09	
-7144	H1A	SLES	1	43.0272	23.8688	-9.84198	HCA2	7142	0	0	0	0.09	
-7145	O1	SLES	1	41.3951	24.1821	-9.83135	OC30A	7142	7146	0	0	-0.34	
-7146	C1	SLES	1	41.0324	23.6466	-8.5666	CTL2	7145	7147	7148	7149	-0.18	
-7147	H11	SLES	1	41.0922	24.3555	-7.69412	HAL2	7146	0	0	0	0.09	
-7148	H12	SLES	1	41.6754	22.7652	-8.31744	HAL2	7146	0	0	0	0.09	
-7149	C2	SLES	1	39.5902	23.2469	-8.87523	CTL2	7146	7150	7151	7152	-0.18	
-7150	H21	SLES	1	38.9185	24.1177	-9.0685	HAL2	7149	0	0	0	0.09	
-7151	H22	SLES	1	39.5071	22.5285	-9.7269	HAL2	7149	0	0	0	0.09	
-7152	C3	SLES	1	39.163	22.5703	-7.63592	CTL2	7149	7153	7154	7155	-0.18	
-7153	H31	SLES	1	39.2751	23.3463	-6.83054	HAL2	7152	0	0	0	0.09	
-7154	H32	SLES	1	39.8849	21.7169	-7.50823	HAL2	7152	0	0	0	0.09	
-7155	C4	SLES	1	37.7902	21.996	-7.49924	CTL2	7152	7156	7157	7158	-0.18	
-7156	H41	SLES	1	37.0059	22.7848	-7.61043	HAL2	7155	0	0	0	0.09	
-7157	H42	SLES	1	37.5997	21.2098	-8.267	HAL2	7155	0	0	0	0.09	
-7158	C5	SLES	1	37.9265	21.452	-6.07076	CTL2	7155	7159	7160	7161	-0.18	
-7159	H51	SLES	1	38.1906	22.2784	-5.35847	HAL2	7158	0	0	0	0.09	
-7160	H52	SLES	1	38.7759	20.7219	-6.0077	HAL2	7158	0	0	0	0.09	
-7161	C6	SLES	1	36.7571	20.7739	-5.49971	CTL2	7158	7162	7163	7164	-0.18	
-7162	H61	SLES	1	36.5186	21.312	-4.54235	HAL2	7161	0	0	0	0.09	
-7163	H62	SLES	1	37.1054	19.7511	-5.19343	HAL2	7161	0	0	0	0.09	
-7164	C7	SLES	1	35.5108	20.675	-6.38767	CTL2	7161	7165	7166	7167	-0.18	
-7165	H71	SLES	1	35.0688	21.6623	-6.66043	HAL2	7164	0	0	0	0.09	
-7166	H72	SLES	1	35.663	20.082	-7.31931	HAL2	7164	0	0	0	0.09	
-7167	C8	SLES	1	34.614	19.9488	-5.45175	CTL2	7164	7168	7169	7170	-0.18	
-7168	H81	SLES	1	34.526	20.5934	-4.53261	HAL2	7167	0	0	0	0.09	
-7169	H82	SLES	1	35.1338	18.9795	-5.20546	HAL2	7167	0	0	0	0.09	
-7170	C9	SLES	1	33.2258	19.5957	-5.85808	CTL2	7167	7171	7172	7173	-0.18	
-7171	H91	SLES	1	32.6478	20.5173	-6.09329	HAL2	7170	0	0	0	0.09	
-7172	H92	SLES	1	33.2438	18.9338	-6.75292	HAL2	7170	0	0	0	0.09	
-7173	C10	SLES	1	32.7437	18.8874	-4.59381	CTL2	7170	7174	7175	7176	-0.18	
-7174	H10	SLES	1	32.8192	19.5823	-3.71424	HAL2	7173	0	0	0	0.09	
-7175	H10	SLES	1	33.4105	18.0108	-4.36939	HAL2	7173	0	0	0	0.09	
-7176	C11	SLES	1	31.3389	18.3813	-4.64818	CTL2	7173	7177	7178	7179	-0.18	
-7177	H11	SLES	1	30.6783	19.2566	-4.84922	HAL2	7176	0	0	0	0.09	
-7178	H11	SLES	1	31.2731	17.6759	-5.50875	HAL2	7176	0	0	0	0.09	
-7179	C12	SLES	1	30.9949	17.6991	-3.32106	CTL3	7176	7180	7181	7182	-0.27	
-7180	H12	SLES	1	30.1525	18.2251	-2.83119	HAL3	7179	0	0	0	0.09	
-7181	H12	SLES	1	30.7514	16.6328	-3.49453	HAL3	7179	0	0	0	0.09	
-7182	H12	SLES	1	31.8474	17.7182	-2.59844	HAL3	7179	0	0	0	0.09	
-7183	NA	SLES	1	39.2898	39.6821	-14.3469	NA	0	0	0	0	1	
-7184	S	SLES	1	39.6332	39.5156	-11.3421	SL	7185	7186	7187	7188	1.33	
-7185	OS1	SLES	1	38.5515	38.5653	-11.6522	OSL	7184	7189	0	0	-0.28	
-7186	OS2	SLES	1	38.899	40.5969	-11.9605	O2L	7184	0	0	0	-0.65	
-7187	OS3	SLES	1	40.542	38.8128	-12.2181	O2L	7184	0	0	0	-0.65	
-7188	OS4	SLES	1	39.8197	39.4834	-9.91874	O2L	7184	0	0	0	-0.65	
-7189	C2	SLES	1	37.8652	37.7556	-10.7835	CC32A	7185	7190	7191	7192	-0.11	
-7190	H2A	SLES	1	37.3293	38.3664	-10.0099	HCA2	7189	0	0	0	0.09	
-7191	H2B	SLES	1	38.5575	37.0295	-10.2804	HCA2	7189	0	0	0	0.09	
-7192	C1	SLES	1	36.8739	37.0386	-11.7253	CC32A	7189	7193	7194	7195	-0.01	
-7193	H1B	SLES	1	36.2103	37.7769	-12.2458	HCA2	7192	0	0	0	0.09	
-7194	H1A	SLES	1	37.4191	36.4413	-12.4967	HCA2	7192	0	0	0	0.09	
-7195	O1	SLES	1	35.9833	36.1182	-11.1832	OC30A	7192	7196	0	0	-0.34	
-7196	C2	SLES	1	36.0201	35.9021	-9.78438	CC32A	7195	7197	7198	7199	-0.01	
-7197	H2A	SLES	1	35.8137	36.8633	-9.23217	HCA2	7196	0	0	0	0.09	
-7198	H2B	SLES	1	37.015	35.5164	-9.46047	HCA2	7196	0	0	0	0.09	
-7199	C1	SLES	1	34.7522	34.993	-9.97659	CC32A	7196	7200	7201	7202	-0.01	
-7200	H1B	SLES	1	34.1707	35.6543	-9.32072	HCA2	7199	0	0	0	0.09	
-7201	H1A	SLES	1	35.5045	34.1966	-9.627	HCA2	7199	0	0	0	0.09	
-7202	O1	SLES	1	33.8875	33.8926	-9.86156	OC30A	7199	7203	0	0	-0.34	
-7203	C1	SLES	1	33.5069	33.4724	-8.55906	CTL2	7202	7204	7205	7206	-0.18	
-7204	H11	SLES	1	33.1696	34.2847	-7.85648	HAL2	7203	0	0	0	0.09	
-7205	H12	SLES	1	34.3532	32.9372	-8.05914	HAL2	7203	0	0	0	0.09	
-7206	C2	SLES	1	32.3614	32.5318	-8.93091	CTL2	7203	7207	7208	7209	-0.18	
-7207	H21	SLES	1	31.4823	33.0557	-9.37742	HAL2	7206	0	0	0	0.09	
-7208	H22	SLES	1	32.6768	31.7057	-9.61378	HAL2	7206	0	0	0	0.09	
-7209	C3	SLES	1	31.9731	31.9546	-7.63007	CTL2	7206	7210	7211	7212	-0.18	
-7210	H31	SLES	1	31.6735	32.8368	-7.00124	HAL2	7209	0	0	0	0.09	
-7211	H32	SLES	1	32.9045	31.4544	-7.24545	HAL2	7209	0	0	0	0.09	
-7212	C4	SLES	1	30.8713	30.9506	-7.52479	CTL2	7209	7213	7214	7215	-0.18	
-7213	H41	SLES	1	29.9009	31.3715	-7.88644	HAL2	7212	0	0	0	0.09	
-7214	H42	SLES	1	31.0951	30.0366	-8.12346	HAL2	7212	0	0	0	0.09	
-7215	C5	SLES	1	30.9262	30.7303	-6.00704	CTL2	7212	7216	7217	7218	-0.18	
-7216	H51	SLES	1	30.7668	31.699	-5.46277	HAL2	7215	0	0	0	0.09	
-7217	H52	SLES	1	31.9457	30.3792	-5.69755	HAL2	7215	0	0	0	0.09	
-7218	C6	SLES	1	29.9703	29.7747	-5.43572	CTL2	7215	7219	7220	7221	-0.18	
-7219	H61	SLES	1	29.3992	30.3355	-4.64688	HAL2	7218	0	0	0	0.09	
-7220	H62	SLES	1	30.5812	29.0119	-4.88237	HAL2	7218	0	0	0	0.09	
-7221	C7	SLES	1	29.0081	29.0883	-6.41277	CTL2	7218	7222	7223	7224	-0.18	
-7222	H71	SLES	1	28.3165	29.7899	-6.93624	HAL2	7221	0	0	0	0.09	
-7223	H72	SLES	1	29.5132	28.4499	-7.17434	HAL2	7221	0	0	0	0.09	
-7224	C8	SLES	1	28.2557	28.2462	-5.44719	CTL2	7221	7225	7226	7227	-0.18	
-7225	H81	SLES	1	27.7949	28.9534	-4.70176	HAL2	7224	0	0	0	0.09	
-7226	H82	SLES	1	29.018	27.5852	-4.94476	HAL2	7224	0	0	0	0.09	
-7227	C9	SLES	1	27.1619	27.3524	-5.91794	CTL2	7224	7228	7229	7230	-0.18	
-7228	H91	SLES	1	26.3599	27.9502	-6.40578	HAL2	7227	0	0	0	0.09	
-7229	H92	SLES	1	27.5595	26.6078	-6.64373	HAL2	7227	0	0	0	0.09	
-7230	C10	SLES	1	26.7289	26.7301	-4.5921	CTL2	7227	7231	7232	7233	-0.18	
-7231	H10	SLES	1	26.4096	27.5365	-3.87795	HAL2	7230	0	0	0	0.09	
-7232	H10	SLES	1	27.6	26.2041	-4.11463	HAL2	7230	0	0	0	0.09	
-7233	C11	SLES	1	25.6086	25.7463	-4.69033	CTL2	7230	7234	7235	7236	-0.18	
-7234	H11	SLES	1	24.7396	26.2772	-5.14416	HAL2	7233	0	0	0	0.09	
-7235	H11	SLES	1	25.9372	24.9369	-5.38274	HAL2	7233	0	0	0	0.09	
-7236	C12	SLES	1	25.2834	25.2084	-3.29399	CTL3	7233	7237	7238	7239	-0.27	
-7237	H12	SLES	1	24.2407	25.4635	-3.02237	HAL3	7236	0	0	0	0.09	
-7238	H12	SLES	1	25.4467	24.1135	-3.26173	HAL3	7236	0	0	0	0.09	
-7239	H12	SLES	1	25.9375	25.6519	-2.50342	HAL3	7236	0	0	0	0.09	
-7240	NA	SLES	1	28.1474	48.2285	-14.3488	NA	0	0	0	0	1	
-7241	S	SLES	1	27.878	48.5272	-11.3467	SL	7242	7243	7244	7245	1.33	
-7242	OS1	SLES	1	27.2701	47.221	-11.6526	OSL	7241	7246	0	0	-0.28	
-7243	OS2	SLES	1	26.9733	49.1932	-12.257	O2L	7241	0	0	0	-0.65	
-7244	OS3	SLES	1	29.1344	48.1117	-11.9264	O2L	7241	0	0	0	-0.65	
-7245	OS4	SLES	1	27.7566	48.7205	-9.92902	O2L	7241	0	0	0	-0.65	
-7246	C2	SLES	1	26.7268	46.3172	-10.7756	CC32A	7242	7247	7248	7249	-0.11	
-7247	H2A	SLES	1	25.8653	46.7719	-10.219	HCA2	7246	0	0	0	0.09	
-7248	H2B	SLES	1	27.4984	45.9519	-10.047	HCA2	7246	0	0	0	0.09	
-7249	C1	SLES	1	26.2583	45.1908	-11.7218	CC32A	7246	7250	7251	7252	-0.01	
-7250	H1B	SLES	1	25.5127	45.5758	-12.4649	HCA2	7249	0	0	0	0.09	
-7251	H1A	SLES	1	27.1233	44.7521	-12.2772	HCA2	7249	0	0	0	0.09	
-7252	O1	SLES	1	25.6342	44.0746	-11.1751	OC30A	7249	7253	0	0	-0.34	
-7253	C2	SLES	1	25.4423	44.0407	-9.77261	CC32A	7252	7254	7255	7256	-0.01	
-7254	H2A	SLES	1	24.8128	44.9153	-9.44032	HCA2	7253	0	0	0	0.09	
-7255	H2B	SLES	1	26.4157	44.0808	-9.22987	HCA2	7253	0	0	0	0.09	
-7256	C1	SLES	1	24.6248	42.7178	-10.0013	CC32A	7253	7257	7258	7259	-0.01	
-7257	H1B	SLES	1	23.7296	43.1898	-9.57535	HCA2	7256	0	0	0	0.09	
-7258	H1A	SLES	1	25.5077	42.2925	-9.39969	HCA2	7256	0	0	0	0.09	
-7259	O1	SLES	1	24.1758	41.3979	-9.83306	OC30A	7256	7260	0	0	-0.34	
-7260	C1	SLES	1	23.6899	41.013	-8.55493	CTL2	7259	7261	7262	7263	-0.18	
-7261	H11	SLES	1	22.9582	41.7186	-8.07121	HAL2	7260	0	0	0	0.09	
-7262	H12	SLES	1	24.5394	40.88	-7.83863	HAL2	7260	0	0	0	0.09	
-7263	C2	SLES	1	23.0334	39.6859	-8.93285	CTL2	7260	7264	7265	7266	-0.18	
-7264	H21	SLES	1	22.1461	39.8023	-9.60057	HAL2	7263	0	0	0	0.09	
-7265	H22	SLES	1	23.7454	38.9616	-9.39849	HAL2	7263	0	0	0	0.09	
-7266	C3	SLES	1	22.5934	39.1526	-7.62968	CTL2	7263	7267	7268	7269	-0.18	
-7267	H31	SLES	1	21.8886	39.9285	-7.22391	HAL2	7266	0	0	0	0.09	
-7268	H32	SLES	1	23.534	39.0703	-7.01785	HAL2	7266	0	0	0	0.09	
-7269	C4	SLES	1	21.8967	37.8347	-7.52604	CTL2	7266	7270	7271	7272	-0.18	
-7270	H41	SLES	1	20.942	37.832	-8.10776	HAL2	7269	0	0	0	0.09	
-7271	H42	SLES	1	22.5361	37.0051	-7.90905	HAL2	7269	0	0	0	0.09	
-7272	C5	SLES	1	21.6975	37.8164	-6.0045	CTL2	7269	7273	7274	7275	-0.18	
-7273	H51	SLES	1	21.1104	38.7141	-5.67368	HAL2	7272	0	0	0	0.09	
-7274	H52	SLES	1	22.6848	37.896	-5.47797	HAL2	7272	0	0	0	0.09	
-7275	C6	SLES	1	21.019	36.6473	-5.43358	CTL2	7272	7276	7277	7278	-0.18	
-7276	H61	SLES	1	20.1387	37.0446	-4.85897	HAL2	7275	0	0	0	0.09	
-7277	H62	SLES	1	21.7175	36.2239	-4.66275	HAL2	7275	0	0	0	0.09	
-7278	C7	SLES	1	20.5745	35.5558	-6.41479	CTL2	7275	7279	7280	7281	-0.18	
-7279	H71	SLES	1	19.816	35.8965	-7.15869	HAL2	7278	0	0	0	0.09	
-7280	H72	SLES	1	21.4144	35.0657	-6.95972	HAL2	7278	0	0	0	0.09	
-7281	C8	SLES	1	19.9607	34.6086	-5.44855	CTL2	7278	7282	7283	7284	-0.18	
-7282	H81	SLES	1	19.1418	35.1768	-4.92438	HAL2	7281	0	0	0	0.09	
-7283	H82	SLES	1	20.7748	34.329	-4.72095	HAL2	7281	0	0	0	0.09	
-7284	C9	SLES	1	19.3571	33.3328	-5.92247	CTL2	7281	7285	7286	7287	-0.18	
-7285	H91	SLES	1	18.5245	33.5411	-6.63108	HAL2	7284	0	0	0	0.09	
-7286	H92	SLES	1	20.1263	32.7092	-6.43109	HAL2	7284	0	0	0	0.09	
-7287	C10	SLES	1	18.8859	32.7443	-4.59421	CTL2	7284	7288	7289	7290	-0.18	
-7288	H10	SLES	1	18.1702	33.4522	-4.09532	HAL2	7287	0	0	0	0.09	
-7289	H10	SLES	1	19.7599	32.6264	-3.89735	HAL2	7287	0	0	0	0.09	
-7290	C11	SLES	1	18.2087	31.4162	-4.69474	CTL2	7287	7291	7292	7293	-0.18	
-7291	H11	SLES	1	17.3299	31.542	-5.3692	HAL2	7290	0	0	0	0.09	
-7292	H11	SLES	1	18.9292	30.7112	-5.17051	HAL2	7290	0	0	0	0.09	
-7293	C12	SLES	1	17.7931	30.9527	-3.29569	CTL3	7290	7294	7295	7296	-0.27	
-7294	H12	SLES	1	16.6928	30.8394	-3.2447	HAL3	7293	0	0	0	0.09	
-7295	H12	SLES	1	18.3033	30.0026	-3.04371	HAL3	7293	0	0	0	0.09	
-7296	H12	SLES	1	18.0761	31.687	-2.50186	HAL3	7293	0	0	0	0.09	
-7297	NA	SLES	1	15.2233	53.7861	-14.2216	NA	0	0	0	0	1	
-7298	S	SLES	1	14.1738	54.1184	-11.3998	SL	7299	7300	7301	7302	1.33	
-7299	OS1	SLES	1	14.1346	52.6673	-11.6493	OSL	7298	7303	0	0	-0.28	
-7300	OS2	SLES	1	13.3367	54.3678	-12.5521	O2L	7298	0	0	0	-0.65	
-7301	OS3	SLES	1	15.5952	54.1541	-11.656	O2L	7298	0	0	0	-0.65	
-7302	OS4	SLES	1	13.6658	54.326	-10.0729	O2L	7298	0	0	0	-0.65	
-7303	C2	SLES	1	13.7408	51.6739	-10.7895	CC32A	7299	7304	7305	7306	-0.11	
-7304	H2A	SLES	1	12.6713	51.8157	-10.4814	HCA2	7303	0	0	0	0.09	
-7305	H2B	SLES	1	14.3971	51.6477	-9.8795	HCA2	7303	0	0	0	0.09	
-7306	C1	SLES	1	13.9174	50.4083	-11.656	CC32A	7303	7307	7308	7309	-0.01	
-7307	H1B	SLES	1	13.2814	50.4615	-12.5774	HCA2	7306	0	0	0	0.09	
-7308	H1A	SLES	1	14.9843	50.2829	-11.9643	HCA2	7306	0	0	0	0.09	
-7309	O1	SLES	1	13.5993	49.1714	-11.1055	OC30A	7306	7310	0	0	-0.34	
-7310	C2	SLES	1	13.1077	49.1412	-9.778	CC32A	7309	7311	7312	7313	-0.01	
-7311	H2A	SLES	1	12.1598	49.7463	-9.69562	HCA2	7310	0	0	0	0.09	
-7312	H2B	SLES	1	13.8539	49.556	-9.06056	HCA2	7310	0	0	0	0.09	
-7313	C1	SLES	1	12.865	47.6031	-9.99248	CC32A	7310	7314	7315	7316	-0.01	
-7314	H1B	SLES	1	11.7895	47.7422	-9.82023	HCA2	7313	0	0	0	0.09	
-7315	H1A	SLES	1	13.6728	47.5547	-9.17553	HCA2	7313	0	0	0	0.09	
-7316	O1	SLES	1	12.8641	46.2203	-9.7478	OC30A	7313	7317	0	0	-0.34	
-7317	C1	SLES	1	12.2528	45.7511	-8.55451	CTL2	7316	7318	7319	7320	-0.18	
-7318	H11	SLES	1	11.2335	46.1696	-8.32369	HAL2	7317	0	0	0	0.09	
-7319	H12	SLES	1	12.9042	45.9688	-7.67094	HAL2	7317	0	0	0	0.09	
-7320	C2	SLES	1	12.1932	44.2595	-8.8809	CTL2	7317	7321	7322	7323	-0.18	
-7321	H21	SLES	1	11.5016	44.0152	-9.72272	HAL2	7320	0	0	0	0.09	
-7322	H22	SLES	1	13.1966	43.8174	-9.0957	HAL2	7320	0	0	0	0.09	
-7323	C3	SLES	1	11.6681	43.6698	-7.63478	CTL2	7320	7324	7325	7326	-0.18	
-7324	H31	SLES	1	10.6678	44.1596	-7.48337	HAL2	7323	0	0	0	0.09	
-7325	H32	SLES	1	12.4097	43.9623	-6.84094	HAL2	7323	0	0	0	0.09	
-7326	C4	SLES	1	11.456	42.1965	-7.50292	CTL2	7323	7327	7328	7329	-0.18	
-7327	H41	SLES	1	10.7233	41.8214	-8.25931	HAL2	7326	0	0	0	0.09	
-7328	H42	SLES	1	12.4097	41.6343	-7.63837	HAL2	7326	0	0	0	0.09	
-7329	C5	SLES	1	10.9245	42.1843	-6.06331	CTL2	7326	7330	7331	7332	-0.18	
-7330	H51	SLES	1	10.0077	42.8261	-5.97685	HAL2	7329	0	0	0	0.09	
-7331	H52	SLES	1	11.6739	42.64	-5.36391	HAL2	7329	0	0	0	0.09	
-7332	C6	SLES	1	10.5692	40.8796	-5.49343	CTL2	7329	7333	7334	7335	-0.18	
-7333	H61	SLES	1	9.4979	40.962	-5.16416	HAL2	7332	0	0	0	0.09	
-7334	H62	SLES	1	11.1688	40.7752	-4.54954	HAL2	7332	0	0	0	0.09	
-7335	C7	SLES	1	10.764	39.6535	-6.3936	CTL2	7332	7336	7337	7338	-0.18	
-7336	H71	SLES	1	10.1316	39.6607	-7.31263	HAL2	7335	0	0	0	0.09	
-7337	H72	SLES	1	11.8231	39.4716	-6.69008	HAL2	7335	0	0	0	0.09	
-7338	C8	SLES	1	10.2998	38.5988	-5.45574	CTL2	7335	7339	7340	7341	-0.18	
-7339	H81	SLES	1	9.23829	38.8598	-5.18531	HAL2	7338	0	0	0	0.09	
-7340	H82	SLES	1	10.9661	38.6676	-4.54925	HAL2	7338	0	0	0	0.09	
-7341	C9	SLES	1	10.2935	37.1691	-5.87138	CTL2	7338	7342	7343	7344	-0.18	
-7342	H91	SLES	1	9.63016	37.0281	-6.75385	HAL2	7341	0	0	0	0.09	
-7343	H92	SLES	1	11.3249	36.8393	-6.12949	HAL2	7341	0	0	0	0.09	
-7344	C10	SLES	1	9.75282	36.5181	-4.6	CTL2	7341	7345	7346	7347	-0.18	
-7345	H10	SLES	1	8.74384	36.9453	-4.35154	HAL2	7344	0	0	0	0.09	
-7346	H10	SLES	1	10.4261	36.7576	-3.73234	HAL2	7344	0	0	0	0.09	
-7347	C11	SLES	1	9.60979	35.032	-4.66111	CTL2	7344	7348	7349	7350	-0.18	
-7348	H11	SLES	1	8.92427	34.7992	-5.509	HAL2	7347	0	0	0	0.09	
-7349	H11	SLES	1	10.6167	34.6105	-4.88654	HAL2	7347	0	0	0	0.09	
-7350	C12	SLES	1	9.06083	34.521	-3.32606	CTL3	7347	7351	7352	7353	-0.27	
-7351	H12	SLES	1	8.0848	34.0222	-3.48304	HAL3	7350	0	0	0	0.09	
-7352	H12	SLES	1	9.78889	33.8319	-2.85533	HAL3	7350	0	0	0	0.09	
-7353	H12	SLES	1	8.88381	35.3468	-2.59387	HAL3	7350	0	0	0	0.09	
-7354	NA	SLES	1	1.2519	55.996	-13.974	NA	0	0	0	0	1	
-7355	S	SLES	1	-0.48998	55.9022	-11.4978	SL	7356	7357	7358	7359	1.33	
-7356	OS1	SLES	1	0.0356554	54.5339	-11.6423	OSL	7355	7360	0	0	-0.28	
-7357	OS2	SLES	1	-1.06018	55.8537	-12.8257	O2L	7355	0	0	0	-0.65	
-7358	OS3	SLES	1	0.848698	56.4407	-11.4254	O2L	7355	0	0	0	-0.65	
-7359	OS4	SLES	1	-1.34	55.901	-10.3405	O2L	7355	0	0	0	-0.65	
-7360	C2	SLES	1	-0.183811	53.4551	-10.8242	CC32A	7356	7361	7362	7363	-0.11	
-7361	H2A	SLES	1	-1.27696	53.2063	-10.7792	HCA2	7360	0	0	0	0.09	
-7362	H2B	SLES	1	0.203164	53.6515	-9.78922	HCA2	7360	0	0	0	0.09	
-7363	C1	SLES	1	0.621073	52.344	-11.5322	CC32A	7360	7364	7365	7366	-0.01	
-7364	H1B	SLES	1	0.245908	52.1803	-12.5756	HCA2	7363	0	0	0	0.09	
-7365	H1A	SLES	1	1.7063	52.6073	-11.5792	HCA2	7363	0	0	0	0.09	
-7366	O1	SLES	1	0.6284	51.068	-10.9793	OC30A	7363	7367	0	0	-0.34	
-7367	C2	SLES	1	-0.124691	50.8501	-9.80017	CC32A	7366	7368	7369	7370	-0.01	
-7368	H2A	SLES	1	-1.21367	51.0804	-9.98066	HCA2	7367	0	0	0	0.09	
-7369	H2B	SLES	1	0.23748	51.493	-8.96407	HCA2	7367	0	0	0	0.09	
-7370	C1	SLES	1	0.238069	49.3281	-9.95063	CC32A	7367	7371	7372	7373	-0.01	
-7371	H1B	SLES	1	-0.827066	49.0763	-10.0387	HCA2	7370	0	0	0	0.09	
-7372	H1A	SLES	1	0.792486	49.5583	-8.96981	HCA2	7370	0	0	0	0.09	
-7373	O1	SLES	1	0.656792	48.0313	-9.61159	OC30A	7370	7374	0	0	-0.34	
-7374	C1	SLES	1	-0.0211082	47.362	-8.5578	CTL2	7373	7375	7376	7377	-0.18	
-7375	H11	SLES	1	-1.1458	47.3908	-8.59671	HAL2	7374	0	0	0	0.09	
-7376	H12	SLES	1	0.28348	47.7851	-7.56751	HAL2	7374	0	0	0	0.09	
-7377	C2	SLES	1	0.518503	45.9496	-8.7786	CTL2	7374	7378	7379	7380	-0.18	
-7378	H21	SLES	1	0.176663	45.487	-9.73557	HAL2	7377	0	0	0	0.09	
-7379	H22	SLES	1	1.63312	45.893	-8.72603	HAL2	7377	0	0	0	0.09	
-7380	C3	SLES	1	-0.0521241	45.1975	-7.64502	CTL2	7377	7381	7382	7383	-0.18	
-7381	H31	SLES	1	-1.16526	45.3006	-7.76194	HAL2	7380	0	0	0	0.09	
-7382	H32	SLES	1	0.329941	45.7234	-6.72678	HAL2	7380	0	0	0	0.09	
-7383	C4	SLES	1	0.233177	43.7427	-7.457	CTL2	7380	7384	7385	7386	-0.18	
-7384	H41	SLES	1	-0.121143	43.1421	-8.33076	HAL2	7383	0	0	0	0.09	
-7385	H42	SLES	1	1.32523	43.5553	-7.32988	HAL2	7383	0	0	0	0.09	
-7386	C5	SLES	1	-0.589096	43.5263	-6.17946	CTL2	7383	7387	7388	7389	-0.18	
-7387	H51	SLES	1	-1.66356	43.8018	-6.35161	HAL2	7386	0	0	0	0.09	
-7388	H52	SLES	1	-0.233893	44.2088	-5.36316	HAL2	7386	0	0	0	0.09	
-7389	C6	SLES	1	-0.596769	42.1734	-5.61118	CTL2	7386	7390	7391	7392	-0.18	
-7390	H61	SLES	1	-1.67606	41.8681	-5.54164	HAL2	7389	0	0	0	0.09	
-7391	H62	SLES	1	-0.242321	42.2761	-4.55046	HAL2	7389	0	0	0	0.09	
-7392	C7	SLES	1	0.219079	41.1061	-6.35063	CTL2	7389	7393	7394	7395	-0.18	
-7393	H71	SLES	1	-0.137471	40.9005	-7.38755	HAL2	7392	0	0	0	0.09	
-7394	H72	SLES	1	1.31388	41.3135	-6.3838	HAL2	7392	0	0	0	0.09	
-7395	C8	SLES	1	-0.0617829	39.9441	-5.46827	CTL2	7392	7396	7397	7398	-0.18	
-7396	H81	SLES	1	-1.1799	39.8102	-5.46678	HAL2	7395	0	0	0	0.09	
-7397	H82	SLES	1	0.302254	40.233	-4.44139	HAL2	7395	0	0	0	0.09	
-7398	C9	SLES	1	0.526095	38.6095	-5.76814	CTL2	7395	7399	7400	7401	-0.18	
-7399	H91	SLES	1	0.183926	38.2539	-6.76573	HAL2	7398	0	0	0	0.09	
-7400	H92	SLES	1	1.63769	38.6684	-5.75948	HAL2	7398	0	0	0	0.09	
-7401	C10	SLES	1	-0.0435056	37.7942	-4.60907	CTL2	7398	7402	7403	7404	-0.18	
-7402	H10	SLES	1	-1.1661	37.8345	-4.62914	HAL2	7401	0	0	0	0.09	
-7403	H10	SLES	1	0.277096	38.2456	-3.63086	HAL2	7401	0	0	0	0.09	
-7404	C11	SLES	1	0.355008	36.3543	-4.59174	CTL2	7401	7405	7406	7407	-0.18	
-7405	H11	SLES	1	0.0162057	35.9046	-5.55404	HAL2	7404	0	0	0	0.09	
-7406	H11	SLES	1	1.46831	36.3183	-4.55018	HAL2	7404	0	0	0	0.09	
-7407	C12	SLES	1	-0.285688	35.6662	-3.38302	CTL3	7404	7408	7409	7410	-0.27	
-7408	H12	SLES	1	-0.961353	34.8568	-3.72115	HAL3	7407	0	0	0	0.09	
-7409	H12	SLES	1	0.500563	35.2731	-2.70943	HAL3	7407	0	0	0	0.09	
-7410	H12	SLES	1	-0.906853	36.3674	-2.77318	HAL3	7407	0	0	0	0.09	
-7411	NA	SLES	1	-12.9514	54.6516	-13.6229	NA	0	0	0	0	1	
-7412	S	SLES	1	-15.063	53.7796	-11.6341	SL	7413	7414	7415	7416	1.33	
-7413	OS1	SLES	1	-14.0699	52.692	-11.6322	OSL	7412	7417	0	0	-0.28	
-7414	OS2	SLES	1	-15.2607	53.6348	-13.0591	O2L	7412	0	0	0	-0.65	
-7415	OS3	SLES	1	-14.055	54.7408	-11.2502	O2L	7412	0	0	0	-0.65	
-7416	OS4	SLES	1	-16.0976	53.3996	-10.7137	O2L	7412	0	0	0	-0.65	
-7417	C2	SLES	1	-14.0744	51.5468	-10.8774	CC32A	7413	7418	7419	7420	-0.11	
-7418	H2A	SLES	1	-14.9886	50.9328	-11.0921	HCA2	7417	0	0	0	0.09	
-7419	H2B	SLES	1	-14.0284	51.7882	-9.78234	HCA2	7417	0	0	0	0.09	
-7420	C1	SLES	1	-12.7903	50.8377	-11.3589	CC32A	7417	7421	7422	7423	-0.01	
-7421	H1B	SLES	1	-12.8351	50.6315	-12.4598	HCA2	7420	0	0	0	0.09	
-7422	H1A	SLES	1	-11.8878	51.4625	-11.1483	HCA2	7420	0	0	0	0.09	
-7423	O1	SLES	1	-12.4589	49.6058	-10.805	OC30A	7420	7424	0	0	-0.34	
-7424	C2	SLES	1	-13.334	49.055	-9.83763	CC32A	7423	7425	7426	7427	-0.01	
-7425	H2A	SLES	1	-14.3623	48.9073	-10.276	HCA2	7424	0	0	0	0.09	
-7426	H2B	SLES	1	-13.4229	49.7202	-8.94699	HCA2	7424	0	0	0	0.09	
-7427	C1	SLES	1	-12.4329	47.7677	-9.87863	CC32A	7424	7428	7429	7430	-0.01	
-7428	H1B	SLES	1	-13.2904	47.1705	-10.2158	HCA2	7427	0	0	0	0.09	
-7429	H1A	SLES	1	-12.2347	48.1026	-8.79654	HCA2	7427	0	0	0	0.09	
-7430	O1	SLES	1	-11.6722	46.6744	-9.4337	OC30A	7427	7431	0	0	-0.34	
-7431	C1	SLES	1	-12.2911	45.7365	-8.5646	CTL2	7430	7432	7433	7434	-0.18	
-7432	H11	SLES	1	-13.3129	45.3775	-8.87165	HAL2	7431	0	0	0	0.09	
-7433	H12	SLES	1	-12.3898	46.1648	-7.53537	HAL2	7431	0	0	0	0.09	
-7434	C2	SLES	1	-11.2522	44.6179	-8.63293	CTL2	7431	7435	7436	7437	-0.18	
-7435	H21	SLES	1	-11.181	44.1374	-9.63824	HAL2	7434	0	0	0	0.09	
-7436	H22	SLES	1	-10.2329	44.9464	-8.31468	HAL2	7434	0	0	0	0.09	
-7437	C3	SLES	1	-11.7627	43.6338	-7.65971	CTL2	7434	7438	7439	7440	-0.18	
-7438	H31	SLES	1	-12.7825	43.354	-8.04064	HAL2	7437	0	0	0	0.09	
-7439	H32	SLES	1	-11.811	44.1904	-6.68315	HAL2	7437	0	0	0	0.09	
-7440	C4	SLES	1	-11.0328	42.3577	-7.39141	CTL2	7437	7441	7442	7443	-0.18	
-7441	H41	SLES	1	-10.9431	41.7376	-8.31724	HAL2	7440	0	0	0	0.09	
-7442	H42	SLES	1	-10.0047	42.5505	-7.0046	HAL2	7440	0	0	0	0.09	
-7443	C5	SLES	1	-11.9936	41.777	-6.34503	CTL2	7440	7444	7445	7446	-0.18	
-7444	H51	SLES	1	-13.0266	41.676	-6.77242	HAL2	7443	0	0	0	0.09	
-7445	H52	SLES	1	-12.0983	42.4783	-5.47577	HAL2	7443	0	0	0	0.09	
-7446	C6	SLES	1	-11.6522	40.467	-5.77882	CTL2	7443	7447	7448	7449	-0.18	
-7447	H61	SLES	1	-12.5395	39.8033	-5.96571	HAL2	7446	0	0	0	0.09	
-7448	H62	SLES	1	-11.6085	40.6077	-4.66543	HAL2	7446	0	0	0	0.09	
-7449	C7	SLES	1	-10.3664	39.805	-6.28883	CTL2	7446	7450	7451	7452	-0.18	
-7450	H71	SLES	1	-10.3811	39.5656	-7.37837	HAL2	7449	0	0	0	0.09	
-7451	H72	SLES	1	-9.43876	40.3799	-6.06174	HAL2	7449	0	0	0	0.09	
-7452	C8	SLES	1	-10.4119	38.556	-5.48528	CTL2	7449	7453	7454	7455	-0.18	
-7453	H81	SLES	1	-11.3795	38.0441	-5.74958	HAL2	7452	0	0	0	0.09	
-7454	H82	SLES	1	-10.4176	38.8766	-4.40471	HAL2	7452	0	0	0	0.09	
-7455	C9	SLES	1	-9.33879	37.5328	-5.61978	CTL2	7452	7456	7457	7458	-0.18	
-7456	H91	SLES	1	-9.29638	37.1552	-6.66589	HAL2	7455	0	0	0	0.09	
-7457	H92	SLES	1	-8.35293	37.9715	-5.34628	HAL2	7455	0	0	0	0.09	
-7458	C10	SLES	1	-9.83177	36.488	-4.6208	CTL2	7455	7459	7460	7461	-0.18	
-7459	H10	SLES	1	-10.86	36.1391	-4.90921	HAL2	7458	0	0	0	0.09	
-7460	H10	SLES	1	-9.92319	36.9492	-3.59982	HAL2	7458	0	0	0	0.09	
-7461	C11	SLES	1	-8.96554	35.2775	-4.49134	CTL2	7458	7462	7463	7464	-0.18	
-7462	H11	SLES	1	-8.89486	34.8104	-5.50125	HAL2	7461	0	0	0	0.09	
-7463	H11	SLES	1	-7.9521	35.6256	-4.18434	HAL2	7461	0	0	0	0.09	
-7464	C12	SLES	1	-9.57929	34.3235	-3.46268	CTL3	7461	7465	7466	7467	-0.27	
-7465	H12	SLES	1	-9.82942	33.3575	-3.9428	HAL3	7464	0	0	0	0.09	
-7466	H12	SLES	1	-8.88049	34.178	-2.61594	HAL3	7464	0	0	0	0.09	
-7467	H12	SLES	1	-10.5295	34.7199	-3.02756	HAL3	7464	0	0	0	0.09	
-7468	NA	SLES	1	-26.5091	49.7276	-13.1922	NA	0	0	0	0	1	
-7469	S	SLES	1	-28.5192	47.9405	-11.7994	SL	7470	7471	7472	7473	1.33	
-7470	OS1	SLES	1	-27.2235	47.2637	-11.6197	OSL	7469	7474	0	0	-0.28	
-7471	OS2	SLES	1	-28.3608	47.9237	-13.2365	O2L	7469	0	0	0	-0.65	
-7472	OS3	SLES	1	-28.0237	49.1279	-11.1423	O2L	7469	0	0	0	-0.65	
-7473	OS4	SLES	1	-29.5102	47.1159	-11.167	O2L	7469	0	0	0	-0.65	
-7474	C2	SLES	1	-26.9674	46.0971	-10.9455	CC32A	7470	7475	7476	7477	-0.11	
-7475	H2A	SLES	1	-27.5364	45.2429	-11.3987	HCA2	7474	0	0	0	0.09	
-7476	H2B	SLES	1	-27.2325	46.1952	-9.85935	HCA2	7474	0	0	0	0.09	
-7477	C1	SLES	1	-25.4455	45.9345	-11.148	CC32A	7474	7478	7479	7480	-0.01	
-7478	H1B	SLES	1	-25.1909	45.8703	-12.2377	HCA2	7477	0	0	0	0.09	
-7479	H1A	SLES	1	-24.8904	46.7953	-10.7008	HCA2	7477	0	0	0	0.09	
-7480	O1	SLES	1	-24.8119	44.8271	-10.5945	OC30A	7477	7481	0	0	-0.34	
-7481	C2	SLES	1	-25.6055	43.8914	-9.88781	CC32A	7480	7482	7483	7484	-0.01	
-7482	H2A	SLES	1	-26.4011	43.462	-10.5616	HCA2	7481	0	0	0	0.09	
-7483	H2B	SLES	1	-26.1049	44.3652	-9.01047	HCA2	7481	0	0	0	0.09	
-7484	C1	SLES	1	-24.3132	43.0029	-9.78139	CC32A	7481	7485	7486	7487	-0.01	
-7485	H1B	SLES	1	-24.8119	42.1995	-10.3395	HCA2	7484	0	0	0	0.09	
-7486	H1A	SLES	1	-24.4706	43.2415	-8.66753	HCA2	7484	0	0	0	0.09	
-7487	O1	SLES	1	-23.3163	42.1844	-9.22627	OC30A	7484	7488	0	0	-0.34	
-7488	C1	SLES	1	-23.7175	40.9877	-8.57444	CTL2	7487	7489	7490	7491	-0.18	
-7489	H11	SLES	1	-24.4576	40.3466	-9.1298	HAL2	7488	0	0	0	0.09	
-7490	H12	SLES	1	-24.1684	41.2195	-7.57673	HAL2	7488	0	0	0	0.09	
-7491	C2	SLES	1	-22.3549	40.3067	-8.45382	CTL2	7488	7492	7493	7494	-0.18	
-7492	H21	SLES	1	-21.915	40.0139	-9.43735	HAL2	7491	0	0	0	0.09	
-7493	H22	SLES	1	-21.6082	40.9172	-7.88969	HAL2	7491	0	0	0	0.09	
-7494	C3	SLES	1	-22.6616	39.0902	-7.67784	CTL2	7491	7495	7496	7497	-0.18	
-7495	H31	SLES	1	-23.4136	38.5332	-8.30047	HAL2	7494	0	0	0	0.09	
-7496	H32	SLES	1	-23.1022	39.4654	-6.71302	HAL2	7494	0	0	0	0.09	
-7497	C4	SLES	1	-21.5915	38.1139	-7.31061	CTL2	7494	7498	7499	7500	-0.18	
-7498	H41	SLES	1	-21.1006	37.6869	-8.21968	HAL2	7497	0	0	0	0.09	
-7499	H42	SLES	1	-20.8019	38.592	-6.68469	HAL2	7497	0	0	0	0.09	
-7500	C5	SLES	1	-22.4684	37.111	-6.54875	CTL2	7497	7501	7502	7503	-0.18	
-7501	H51	SLES	1	-23.2874	36.7221	-7.21061	HAL2	7500	0	0	0	0.09	
-7502	H52	SLES	1	-22.9909	37.6159	-5.69405	HAL2	7500	0	0	0	0.09	
-7503	C6	SLES	1	-21.8	35.9327	-5.98492	CTL2	7500	7504	7505	7506	-0.18	
-7504	H61	SLES	1	-22.3321	35.0376	-6.40745	HAL2	7503	0	0	0	0.09	
-7505	H62	SLES	1	-22.0346	35.9338	-4.88663	HAL2	7503	0	0	0	0.09	
-7506	C7	SLES	1	-20.2878	35.8182	-6.21239	CTL2	7503	7507	7508	7509	-0.18	
-7507	H71	SLES	1	-19.996	35.7318	-7.2857	HAL2	7506	0	0	0	0.09	
-7508	H72	SLES	1	-19.695	36.639	-5.74586	HAL2	7506	0	0	0	0.09	
-7509	C8	SLES	1	-20.0415	34.5347	-5.50563	CTL2	7506	7510	7511	7512	-0.18	
-7510	H81	SLES	1	-20.6858	33.7639	-6.01446	HAL2	7509	0	0	0	0.09	
-7511	H82	SLES	1	-20.3793	34.6909	-4.4417	HAL2	7509	0	0	0	0.09	
-7512	C9	SLES	1	-18.6686	33.9627	-5.43642	CTL2	7509	7513	7514	7515	-0.18	
-7513	H91	SLES	1	-18.2838	33.7613	-6.46116	HAL2	7512	0	0	0	0.09	
-7514	H92	SLES	1	-17.9831	34.6703	-4.91805	HAL2	7512	0	0	0	0.09	
-7515	C10	SLES	1	-18.9428	32.6922	-4.6344	CTL2	7512	7516	7517	7518	-0.18	
-7516	H10	SLES	1	-19.6962	32.0559	-5.17266	HAL2	7515	0	0	0	0.09	
-7517	H10	SLES	1	-19.3973	32.9582	-3.64134	HAL2	7515	0	0	0	0.09	
-7518	C11	SLES	1	-17.7441	31.8413	-4.36676	CTL2	7515	7519	7520	7521	-0.18	
-7519	H11	SLES	1	-17.3087	31.5614	-5.35423	HAL2	7518	0	0	0	0.09	
-7520	H11	SLES	1	-17.0077	32.4695	-3.81397	HAL2	7518	0	0	0	0.09	
-7521	C12	SLES	1	-18.167	30.6106	-3.55963	CTL3	7518	7522	7523	7524	-0.27	
-7522	H12	SLES	1	-17.9509	29.6882	-4.13288	HAL3	7521	0	0	0	0.09	
-7523	H12	SLES	1	-17.6482	30.602	-2.58125	HAL3	7521	0	0	0	0.09	
-7524	H12	SLES	1	-19.2629	30.6011	-3.33969	HAL3	7521	0	0	0	0.09	
-7525	NA	SLES	1	-38.517	41.4131	-12.7112	NA	0	0	0	0	1	
-7526	S	SLES	1	-39.9357	38.8381	-11.9823	SL	7527	7528	7529	7530	1.33	
-7527	OS1	SLES	1	-38.5295	38.6146	-11.6056	OSL	7526	7531	0	0	-0.28	
-7528	OS2	SLES	1	-39.5534	39.131	-13.3457	O2L	7526	0	0	0	-0.65	
-7529	OS3	SLES	1	-40.0181	39.9863	-11.1092	O2L	7526	0	0	0	-0.65	
-7530	OS4	SLES	1	-40.6469	37.6306	-11.6695	O2L	7526	0	0	0	-0.65	
-7531	C2	SLES	1	-37.9787	37.5014	-11.0237	CC32A	7527	7532	7533	7534	-0.11	
-7532	H2A	SLES	1	-38.1176	36.6008	-11.6783	HCA2	7531	0	0	0	0.09	
-7533	H2B	SLES	1	-38.4321	37.3104	-10.015	HCA2	7531	0	0	0	0.09	
-7534	C1	SLES	1	-36.4905	37.8974	-10.9138	CC32A	7531	7535	7536	7537	-0.01	
-7535	H1B	SLES	1	-36.0585	38.117	-11.9245	HCA2	7534	0	0	0	0.09	
-7536	H1A	SLES	1	-36.3658	38.8006	-10.2674	HCA2	7534	0	0	0	0.09	
-7537	O1	SLES	1	-35.5954	36.9871	-10.3622	OC30A	7534	7538	0	0	-0.34	
-7538	C2	SLES	1	-36.0971	35.7297	-9.94729	CC32A	7537	7539	7540	7541	-0.01	
-7539	H2A	SLES	1	-36.5629	35.1852	-10.8179	HCA2	7538	0	0	0	0.09	
-7540	H2B	SLES	1	-36.8684	35.8447	-9.15019	HCA2	7538	0	0	0	0.09	
-7541	C1	SLES	1	-34.6053	35.3222	-9.66554	CC32A	7538	7542	7543	7544	-0.01	
-7542	H1B	SLES	1	-34.6813	34.5107	-10.4013	HCA2	7541	0	0	0	0.09	
-7543	H1A	SLES	1	-35.0153	35.2923	-8.59157	HCA2	7541	0	0	0	0.09	
-7544	O1	SLES	1	-33.4821	34.8007	-9.00342	OC30A	7541	7545	0	0	-0.34	
-7545	C1	SLES	1	-33.5199	33.4432	-8.58664	CTL2	7544	7546	7547	7548	-0.18	
-7546	H11	SLES	1	-33.8769	32.7004	-9.35354	HAL2	7545	0	0	0	0.09	
-7547	H12	SLES	1	-34.1782	33.3292	-7.68875	HAL2	7545	0	0	0	0.09	
-7548	C2	SLES	1	-32.0414	33.2488	-8.25346	CTL2	7545	7549	7550	7551	-0.18	
-7549	H21	SLES	1	-31.3733	33.3	-9.1466	HAL2	7548	0	0	0	0.09	
-7550	H22	SLES	1	-31.6687	33.9638	-7.48001	HAL2	7548	0	0	0	0.09	
-7551	C3	SLES	1	-32.0052	31.8825	-7.69817	CTL2	7548	7552	7553	7554	-0.18	
-7552	H31	SLES	1	-32.3929	31.2256	-8.52373	HAL2	7551	0	0	0	0.09	
-7553	H32	SLES	1	-32.7008	31.9106	-6.81436	HAL2	7551	0	0	0	0.09	
-7554	C4	SLES	1	-30.7274	31.273	-7.22013	CTL2	7551	7555	7556	7557	-0.18	
-7555	H41	SLES	1	-29.9757	31.204	-8.04472	HAL2	7554	0	0	0	0.09	
-7556	H42	SLES	1	-30.277	31.8689	-6.39196	HAL2	7554	0	0	0	0.09	
-7557	C5	SLES	1	-31.2898	29.9157	-6.77673	CTL2	7554	7558	7559	7560	-0.18	
-7558	H51	SLES	1	-31.7938	29.3988	-7.63631	HAL2	7557	0	0	0	0.09	
-7559	H52	SLES	1	-32.0901	30.0558	-6.00315	HAL2	7557	0	0	0	0.09	
-7560	C6	SLES	1	-30.3386	28.9496	-6.21544	CTL2	7557	7561	7562	7563	-0.18	
-7561	H61	SLES	1	-30.4338	28.018	-6.83676	HAL2	7560	0	0	0	0.09	
-7562	H62	SLES	1	-30.7307	28.6768	-5.19898	HAL2	7560	0	0	0	0.09	
-7563	C7	SLES	1	-28.8728	29.3912	-6.12653	CTL2	7560	7564	7565	7566	-0.18	
-7564	H71	SLES	1	-28.4013	29.5998	-7.11586	HAL2	7563	0	0	0	0.09	
-7565	H72	SLES	1	-28.7021	30.2665	-5.45767	HAL2	7563	0	0	0	0.09	
-7566	C8	SLES	1	-28.2938	28.1608	-5.52791	CTL2	7563	7567	7568	7569	-0.18	
-7567	H81	SLES	1	-28.5232	27.322	-6.24337	HAL2	7566	0	0	0	0.09	
-7568	H82	SLES	1	-28.8314	28.0031	-4.54985	HAL2	7566	0	0	0	0.09	
-7569	C9	SLES	1	-26.8372	28.0798	-5.23056	CTL2	7566	7570	7571	7572	-0.18	
-7570	H91	SLES	1	-26.2463	28.2045	-6.16546	HAL2	7569	0	0	0	0.09	
-7571	H92	SLES	1	-26.5486	28.8722	-4.50398	HAL2	7569	0	0	0	0.09	
-7572	C10	SLES	1	-26.7558	26.6699	-4.64894	CTL2	7569	7573	7574	7575	-0.18	
-7573	H10	SLES	1	-27.1294	25.9241	-5.40154	HAL2	7572	0	0	0	0.09	
-7574	H10	SLES	1	-27.4289	26.5872	-3.75259	HAL2	7572	0	0	0	0.09	
-7575	C11	SLES	1	-25.3895	26.2372	-4.22649	CTL2	7572	7576	7577	7578	-0.18	
-7576	H11	SLES	1	-24.7296	26.2997	-5.12299	HAL2	7575	0	0	0	0.09	
-7577	H11	SLES	1	-25.0307	26.9671	-3.46429	HAL2	7575	0	0	0	0.09	
-7578	C12	SLES	1	-25.4598	24.8134	-3.66726	CTL3	7575	7579	7580	7581	-0.27	
-7579	H12	SLES	1	-24.8342	24.1343	-4.27844	HAL3	7578	0	0	0	0.09	
-7580	H12	SLES	1	-25.1377	24.8056	-2.60771	HAL3	7578	0	0	0	0.09	
-7581	H12	SLES	1	-26.4973	24.398	-3.68828	HAL3	7578	0	0	0	0.09	
-7582	NA	SLES	1	-48.1008	30.138	-12.2128	NA	0	0	0	0	1	
-7583	S	SLES	1	-48.557	27.1439	-12.1705	SL	7584	7585	7586	7587	1.33	
-7584	OS1	SLES	1	-47.2158	27.3302	-11.5909	OSL	7583	7588	0	0	-0.28	
-7585	OS2	SLES	1	-48.161	27.8314	-13.3793	O2L	7583	0	0	0	-0.65	
-7586	OS3	SLES	1	-49.1458	27.9838	-11.1531	O2L	7583	0	0	0	-0.65	
-7587	OS4	SLES	1	-48.8102	25.7306	-12.187	O2L	7583	0	0	0	-0.65	
-7588	C2	SLES	1	-46.3651	26.3694	-11.1068	CC32A	7584	7589	7590	7591	-0.11	
-7589	H2A	SLES	1	-46.0949	25.6358	-11.9117	HCA2	7588	0	0	0	0.09	
-7590	H2B	SLES	1	-46.8252	25.827	-10.2387	HCA2	7588	0	0	0	0.09	
-7591	C1	SLES	1	-45.1442	27.2084	-10.6723	CC32A	7588	7592	7593	7594	-0.01	
-7592	H1B	SLES	1	-44.7141	27.7702	-11.5416	HCA2	7591	0	0	0	0.09	
-7593	H1A	SLES	1	-45.4277	27.9413	-9.87745	HCA2	7591	0	0	0	0.09	
-7594	O1	SLES	1	-44.0454	26.5557	-10.1239	OC30A	7591	7595	0	0	-0.34	
-7595	C2	SLES	1	-44.0978	25.1452	-10.012	CC32A	7594	7596	7597	7598	-0.01	
-7596	H2A	SLES	1	-44.2358	24.6748	-11.0275	HCA2	7595	0	0	0	0.09	
-7597	H2B	SLES	1	-44.9402	24.8222	-9.35663	HCA2	7595	0	0	0	0.09	
-7598	C1	SLES	1	-42.6002	25.2115	-9.53896	CC32A	7595	7599	7600	7601	-0.01	
-7599	H1B	SLES	1	-42.2953	24.5982	-10.3971	HCA2	7598	0	0	0	0.09	
-7600	H1A	SLES	1	-43.0859	24.8177	-8.57384	HCA2	7598	0	0	0	0.09	
-7601	O1	SLES	1	-41.4437	24.9686	-8.78035	OC30A	7598	7602	0	0	-0.34	
-7602	C1	SLES	1	-41.0308	23.6213	-8.60038	CTL2	7601	7603	7604	7605	-0.18	
-7603	H11	SLES	1	-41.0074	22.9834	-9.52764	HAL2	7602	0	0	0	0.09	
-7604	H12	SLES	1	-41.6963	23.1046	-7.86382	HAL2	7602	0	0	0	0.09	
-7605	C2	SLES	1	-39.6285	23.8678	-8.04551	CTL2	7602	7606	7607	7608	-0.18	
-7606	H21	SLES	1	-38.9316	24.3292	-8.7858	HAL2	7605	0	0	0	0.09	
-7607	H22	SLES	1	-39.628	24.4841	-7.11357	HAL2	7605	0	0	0	0.09	
-7608	C3	SLES	1	-39.1591	22.5079	-7.71933	CTL2	7605	7609	7610	7611	-0.18	
-7609	H31	SLES	1	-39.1889	21.9509	-8.6952	HAL2	7608	0	0	0	0.09	
-7610	H32	SLES	1	-39.9093	22.1119	-6.98026	HAL2	7608	0	0	0	0.09	
-7611	C4	SLES	1	-37.8074	22.2752	-7.12611	CTL2	7608	7612	7613	7614	-0.18	
-7612	H41	SLES	1	-36.9969	22.6398	-7.80429	HAL2	7611	0	0	0	0.09	
-7613	H42	SLES	1	-37.6978	22.7966	-6.14635	HAL2	7611	0	0	0	0.09	
-7614	C5	SLES	1	-37.8829	20.7466	-7.01343	CTL2	7611	7615	7616	7617	-0.18	
-7615	H51	SLES	1	-38.0674	20.2864	-8.0205	HAL2	7614	0	0	0	0.09	
-7616	H52	SLES	1	-38.7586	20.4418	-6.38198	HAL2	7614	0	0	0	0.09	
-7617	C6	SLES	1	-36.7129	20.0593	-6.45466	CTL2	7614	7618	7619	7620	-0.18	
-7618	H61	SLES	1	-36.3946	19.305	-7.22439	HAL2	7617	0	0	0	0.09	
-7619	H62	SLES	1	-37.0875	19.4609	-5.5812	HAL2	7617	0	0	0	0.09	
-7620	C7	SLES	1	-35.527	20.9373	-6.0371	CTL2	7617	7621	7622	7623	-0.18	
-7621	H71	SLES	1	-35.0587	21.4977	-6.88042	HAL2	7620	0	0	0	0.09	
-7622	H72	SLES	1	-35.7602	21.6553	-5.21683	HAL2	7620	0	0	0	0.09	
-7623	C8	SLES	1	-34.6094	19.8748	-5.55062	CTL2	7620	7624	7625	7626	-0.18	
-7624	H81	SLES	1	-34.4387	19.1806	-6.42069	HAL2	7623	0	0	0	0.09	
-7625	H82	SLES	1	-35.1562	19.3414	-4.72179	HAL2	7623	0	0	0	0.09	
-7626	C9	SLES	1	-33.2647	20.2257	-5.01622	CTL2	7623	7627	7628	7629	-0.18	
-7627	H91	SLES	1	-32.6614	20.7375	-5.79897	HAL2	7626	0	0	0	0.09	
-7628	H92	SLES	1	-33.3651	20.8948	-4.13227	HAL2	7626	0	0	0	0.09	
-7629	C10	SLES	1	-32.7404	18.8353	-4.66343	CTL2	7626	7630	7631	7632	-0.18	
-7630	H10	SLES	1	-32.7329	18.1859	-5.58024	HAL2	7629	0	0	0	0.09	
-7631	H10	SLES	1	-33.431	18.3426	-3.92598	HAL2	7629	0	0	0	0.09	
-7632	C11	SLES	1	-31.3652	18.8064	-4.08009	CTL2	7629	7633	7634	7635	-0.18	
-7633	H11	SLES	1	-30.6795	19.276	-4.82329	HAL2	7632	0	0	0	0.09	
-7634	H11	SLES	1	-31.3818	19.4341	-3.15915	HAL2	7632	0	0	0	0.09	
-7635	C12	SLES	1	-30.9737	17.357	-3.77822	CTL3	7632	7636	7637	7638	-0.27	
-7636	H12	SLES	1	-30.0814	17.0739	-4.36955	HAL3	7635	0	0	0	0.09	
-7637	H12	SLES	1	-30.7885	17.2322	-2.69353	HAL3	7635	0	0	0	0.09	
-7638	H12	SLES	1	-31.7803	16.6323	-4.0496	HAL3	7635	0	0	0	0.09	
-7639	NA	SLES	1	-54.4906	16.5803	-11.7309	NA	0	0	0	0	1	
-7640	S	SLES	1	-53.8407	13.6877	-12.3511	SL	7641	7642	7643	7644	1.33	
-7641	OS1	SLES	1	-52.6873	14.1766	-11.5766	OSL	7640	7645	0	0	-0.28	
-7642	OS2	SLES	1	-53.6583	14.7314	-13.3351	O2L	7640	0	0	0	-0.65	
-7643	OS3	SLES	1	-54.7426	14.0151	-11.271	O2L	7640	0	0	0	-0.65	
-7644	OS4	SLES	1	-53.5674	12.318	-12.6842	O2L	7640	0	0	0	-0.65	
-7645	C2	SLES	1	-51.5733	13.4763	-11.1892	CC32A	7641	7646	7647	7648	-0.11	
-7646	H2A	SLES	1	-51.0172	13.088	-12.083	HCA2	7645	0	0	0	0.09	
-7647	H2B	SLES	1	-51.8506	12.6229	-10.5151	HCA2	7645	0	0	0	0.09	
-7648	C1	SLES	1	-50.7595	14.5532	-10.4398	CC32A	7645	7649	7650	7651	-0.01	
-7649	H1B	SLES	1	-50.5171	15.4144	-11.115	HCA2	7648	0	0	0	0.09	
-7650	H1A	SLES	1	-51.3271	14.9388	-9.55763	HCA2	7648	0	0	0	0.09	
-7651	O1	SLES	1	-49.5284	14.2028	-9.89578	OC30A	7648	7652	0	0	-0.34	
-7652	C2	SLES	1	-49.0755	12.8737	-10.0776	CC32A	7651	7653	7654	7655	-0.01	
-7653	H2A	SLES	1	-48.9839	12.636	-11.176	HCA2	7652	0	0	0	0.09	
-7654	H2B	SLES	1	-49.7771	12.1402	-9.61572	HCA2	7652	0	0	0	0.09	
-7655	C1	SLES	1	-47.7278	13.3312	-9.4103	CC32A	7652	7656	7657	7658	-0.01	
-7656	H1B	SLES	1	-47.1799	13.0767	-10.3272	HCA2	7655	0	0	0	0.09	
-7657	H1A	SLES	1	-48.0872	12.5818	-8.61555	HCA2	7655	0	0	0	0.09	
-7658	O1	SLES	1	-46.601	13.3245	-8.57226	OC30A	7655	7659	0	0	-0.34	
-7659	C1	SLES	1	-45.7407	12.1949	-8.61472	CTL2	7658	7660	7661	7662	-0.18	
-7660	H11	SLES	1	-45.4429	11.8387	-9.64022	HAL2	7659	0	0	0	0.09	
-7661	H12	SLES	1	-46.212	11.326	-8.08998	HAL2	7659	0	0	0	0.09	
-7662	C2	SLES	1	-44.5508	12.7652	-7.84415	CTL2	7659	7663	7664	7665	-0.18	
-7663	H21	SLES	1	-44.0302	13.5953	-8.37954	HAL2	7662	0	0	0	0.09	
-7664	H22	SLES	1	-44.8188	13.1087	-6.81533	HAL2	7662	0	0	0	0.09	
-7665	C3	SLES	1	-43.6406	11.6089	-7.73986	CTL2	7662	7666	7667	7668	-0.18	
-7666	H31	SLES	1	-43.419	11.3198	-8.8032	HAL2	7665	0	0	0	0.09	
-7667	H32	SLES	1	-44.2343	10.8208	-7.19941	HAL2	7665	0	0	0	0.09	
-7668	C4	SLES	1	-42.3274	11.7165	-7.03498	CTL2	7665	7669	7670	7671	-0.18	
-7669	H41	SLES	1	-41.6693	12.4823	-7.51477	HAL2	7668	0	0	0	0.09	
-7670	H42	SLES	1	-42.462	11.9995	-5.96461	HAL2	7668	0	0	0	0.09	
-7671	C5	SLES	1	-41.8535	10.2717	-7.24273	CTL2	7668	7672	7673	7674	-0.18	
-7672	H51	SLES	1	-41.8092	10.0256	-8.33702	HAL2	7671	0	0	0	0.09	
-7673	H52	SLES	1	-42.5915	9.54928	-6.80473	HAL2	7671	0	0	0	0.09	
-7674	C6	SLES	1	-40.5443	9.91157	-6.68629	CTL2	7671	7675	7676	7677	-0.18	
-7675	H61	SLES	1	-39.9376	9.5124	-7.54391	HAL2	7674	0	0	0	0.09	
-7676	H62	SLES	1	-40.7219	9.03484	-6.00723	HAL2	7674	0	0	0	0.09	
-7677	C7	SLES	1	-39.7761	11.016	-5.95019	CTL2	7674	7678	7679	7680	-0.18	
-7678	H71	SLES	1	-39.499	11.8828	-6.59542	HAL2	7677	0	0	0	0.09	
-7679	H72	SLES	1	-40.2929	11.399	-5.03974	HAL2	7677	0	0	0	0.09	
-7680	C8	SLES	1	-38.5634	10.2452	-5.5722	CTL2	7677	7681	7682	7683	-0.18	
-7681	H81	SLES	1	-38.1109	9.87426	-6.53436	HAL2	7680	0	0	0	0.09	
-7682	H82	SLES	1	-38.9227	9.37977	-4.94579	HAL2	7680	0	0	0	0.09	
-7683	C9	SLES	1	-37.4637	10.8959	-4.808	CTL2	7680	7684	7685	7686	-0.18	
-7684	H91	SLES	1	-37.0463	11.7501	-5.38666	HAL2	7683	0	0	0	0.09	
-7685	H92	SLES	1	-37.8423	11.2646	-3.82826	HAL2	7683	0	0	0	0.09	
-7686	C10	SLES	1	-36.4928	9.72423	-4.67687	CTL2	7683	7687	7688	7689	-0.18	
-7687	H10	SLES	1	-36.2061	9.34976	-5.6966	HAL2	7686	0	0	0	0.09	
-7688	H10	SLES	1	-36.996	8.86848	-4.1497	HAL2	7686	0	0	0	0.09	
-7689	C11	SLES	1	-35.2303	10.0278	-3.93754	CTL2	7686	7690	7691	7692	-0.18	
-7690	H11	SLES	1	-34.7231	10.8622	-4.47556	HAL2	7689	0	0	0	0.09	
-7691	H11	SLES	1	-35.5179	10.3785	-2.91933	HAL2	7689	0	0	0	0.09	
-7692	C12	SLES	1	-34.3594	8.76933	-3.88496	CTL3	7689	7693	7694	7695	-0.27	
-7693	H12	SLES	1	-33.3965	8.95243	-4.40002	HAL3	7692	0	0	0	0.09	
-7694	H12	SLES	1	-34.1965	8.46446	-2.83284	HAL3	7692	0	0	0	0.09	
-7695	H12	SLES	1	-34.8366	7.899	-4.399	HAL3	7692	0	0	0	0.09	
-7696	NA	SLES	1	-57.1043	1.64418	-11.2983	NA	0	0	0	0	1	
-7697	S	SLES	1	-55.4822	-0.607557	-12.5118	SL	7698	7699	7700	7701	1.33	
-7698	OS1	SLES	1	-54.5665	0.0495181	-11.5636	OSL	7697	7702	0	0	-0.28	
-7699	OS2	SLES	1	-55.6921	0.637759	-13.2159	O2L	7697	0	0	0	-0.65	
-7700	OS3	SLES	1	-56.4285	-0.880562	-11.4548	O2L	7697	0	0	0	-0.65	
-7701	OS4	SLES	1	-54.7467	-1.67631	-13.1272	O2L	7697	0	0	0	-0.65	
-7702	C2	SLES	1	-53.2725	-0.293442	-11.2651	CC32A	7698	7703	7704	7705	-0.11	
-7703	H2A	SLES	1	-52.6258	-0.239842	-12.1805	HCA2	7702	0	0	0	0.09	
-7704	H2B	SLES	1	-53.2223	-1.32482	-10.8255	HCA2	7702	0	0	0	0.09	
-7705	C1	SLES	1	-52.8824	0.785828	-10.2324	CC32A	7702	7706	7707	7708	-0.01	
-7706	H1B	SLES	1	-52.968	1.81251	-10.6739	HCA2	7705	0	0	0	0.09	
-7707	H1A	SLES	1	-53.539	0.728524	-9.32971	HCA2	7705	0	0	0	0.09	
-7708	O1	SLES	1	-51.6006	0.763312	-9.69348	OC30A	7705	7709	0	0	-0.34	
-7709	C2	SLES	1	-50.7096	-0.242648	-10.1396	CC32A	7708	7710	7711	7712	-0.01	
-7710	H2A	SLES	1	-50.5531	-0.164001	-11.2535	HCA2	7709	0	0	0	0.09	
-7711	H2B	SLES	1	-51.1013	-1.26114	-9.90981	HCA2	7709	0	0	0	0.09	
-7712	C1	SLES	1	-49.6024	0.478817	-9.28831	CC32A	7709	7713	7714	7715	-0.01	
-7713	H1B	SLES	1	-49.0111	0.65649	-10.1963	HCA2	7712	0	0	0	0.09	
-7714	H1A	SLES	1	-49.6643	-0.515444	-8.71386	HCA2	7712	0	0	0	0.09	
-7715	O1	SLES	1	-48.5359	0.661847	-8.39332	OC30A	7712	7716	0	0	-0.34	
-7716	C1	SLES	1	-47.3327	-0.0556061	-8.62868	CTL2	7715	7717	7718	7719	-0.18	
-7717	H11	SLES	1	-46.9406	-0.0306716	-9.68363	HAL2	7716	0	0	0	0.09	
-7718	H12	SLES	1	-47.4603	-1.13244	-8.35185	HAL2	7716	0	0	0	0.09	
-7719	C2	SLES	1	-46.4116	0.688909	-7.6631	CTL2	7716	7720	7721	7722	-0.18	
-7720	H21	SLES	1	-46.2243	1.75006	-7.95551	HAL2	7719	0	0	0	0.09	
-7721	H22	SLES	1	-46.7713	0.661981	-6.60563	HAL2	7719	0	0	0	0.09	
-7722	C3	SLES	1	-45.1505	-0.0705721	-7.75838	CTL2	7719	7723	7724	7725	-0.18	
-7723	H31	SLES	1	-44.8539	-0.00200562	-8.84036	HAL2	7722	0	0	0	0.09	
-7724	H32	SLES	1	-45.421	-1.1202	-7.45688	HAL2	7722	0	0	0	0.09	
-7725	C4	SLES	1	-43.9515	0.312422	-6.95293	CTL2	7722	7726	7727	7728	-0.18	
-7726	H41	SLES	1	-43.6122	1.34952	-7.19588	HAL2	7725	0	0	0	0.09	
-7727	H42	SLES	1	-44.1645	0.266707	-5.85912	HAL2	7725	0	0	0	0.09	
-7728	C5	SLES	1	-43.0004	-0.785032	-7.44899	CTL2	7725	7729	7730	7731	-0.18	
-7729	H51	SLES	1	-42.8853	-0.731426	-8.56429	HAL2	7728	0	0	0	0.09	
-7730	H52	SLES	1	-43.4303	-1.8004	-7.2426	HAL2	7728	0	0	0	0.09	
-7731	C6	SLES	1	-41.6418	-0.792326	-6.89454	CTL2	7728	7732	7733	7734	-0.18	
-7732	H61	SLES	1	-40.9436	-0.739757	-7.77357	HAL2	7731	0	0	0	0.09	
-7733	H62	SLES	1	-41.4901	-1.81162	-6.44805	HAL2	7731	0	0	0	0.09	
-7734	C7	SLES	1	-41.3044	0.29928	-5.87173	CTL2	7731	7735	7736	7737	-0.18	
-7735	H71	SLES	1	-41.3591	1.33595	-6.2803	HAL2	7734	0	0	0	0.09	
-7736	H72	SLES	1	-41.9122	0.250531	-4.93847	HAL2	7734	0	0	0	0.09	
-7737	C8	SLES	1	-39.8932	-0.0712677	-5.59119	CTL2	7734	7738	7739	7740	-0.18	
-7738	H81	SLES	1	-39.3505	-0.0213796	-6.57661	HAL2	7737	0	0	0	0.09	
-7739	H82	SLES	1	-39.916	-1.13052	-5.20661	HAL2	7737	0	0	0	0.09	
-7740	C9	SLES	1	-39.085	0.716524	-4.62011	CTL2	7737	7741	7742	7743	-0.18	
-7741	H91	SLES	1	-39.0033	1.77424	-4.95661	HAL2	7740	0	0	0	0.09	
-7742	H92	SLES	1	-39.5576	0.685989	-3.61268	HAL2	7740	0	0	0	0.09	
-7743	C10	SLES	1	-37.7614	-0.0423176	-4.68836	CTL2	7740	7744	7745	7746	-0.18	
-7744	H10	SLES	1	-37.3732	-0.0391775	-5.74268	HAL2	7743	0	0	0	0.09	
-7745	H10	SLES	1	-37.9235	-1.11881	-4.40851	HAL2	7743	0	0	0	0.09	
-7746	C11	SLES	1	-36.6787	0.492708	-3.80855	CTL2	7743	7747	7748	7749	-0.18	
-7747	H11	SLES	1	-36.5054	1.55386	-4.1035	HAL2	7746	0	0	0	0.09	
-7748	H11	SLES	1	-37.0593	0.468091	-2.76118	HAL2	7746	0	0	0	0.09	
-7749	C12	SLES	1	-35.4189	-0.360704	-3.9802	CTL3	7746	7750	7751	7752	-0.27	
-7750	H12	SLES	1	-34.5889	0.261463	-4.36777	HAL3	7749	0	0	0	0.09	
-7751	H12	SLES	1	-35.1461	-0.832578	-3.01617	HAL3	7749	0	0	0	0.09	
-7752	H12	SLES	1	-35.5641	-1.19245	-4.71268	HAL3	7749	0	0	0	0.09	
-7753	NA	SLES	1	-55.6273	-13.5965	-10.9446	NA	0	0	0	0	1	
-7754	S	SLES	1	-53.4206	-14.7903	-12.6417	SL	7755	7756	7757	7758	1.33	
-7755	OS1	SLES	1	-52.7215	-14.0867	-11.5529	OSL	7754	7759	0	0	-0.28	
-7756	OS2	SLES	1	-54.0992	-13.574	-13.0301	O2L	7754	0	0	0	-0.65	
-7757	OS3	SLES	1	-54.1338	-15.6131	-11.6921	O2L	7754	0	0	0	-0.65	
-7758	OS4	SLES	1	-52.4085	-15.3601	-13.4859	O2L	7754	0	0	0	-0.65	
-7759	C2	SLES	1	-51.3705	-14.0089	-11.3295	CC32A	7755	7760	7761	7762	-0.11	
-7760	H2A	SLES	1	-50.8514	-13.5233	-12.1977	HCA2	7759	0	0	0	0.09	
-7761	H2B	SLES	1	-50.9347	-15.0272	-11.1487	HCA2	7759	0	0	0	0.09	
-7762	C1	SLES	1	-51.3027	-13.1271	-10.064	CC32A	7759	7763	7764	7765	-0.01	
-7763	H1B	SLES	1	-51.7701	-12.1251	-10.2482	HCA2	7762	0	0	0	0.09	
-7764	H1A	SLES	1	-51.8308	-13.6167	-9.20923	HCA2	7762	0	0	0	0.09	
-7765	O1	SLES	1	-50.0562	-12.8176	-9.53074	OC30A	7762	7766	0	0	-0.34	
-7766	C2	SLES	1	-48.9077	-13.314	-10.1936	CC32A	7765	7767	7768	7769	-0.01	
-7767	H2A	SLES	1	-48.8705	-12.9336	-11.2545	HCA2	7766	0	0	0	0.09	
-7768	H2B	SLES	1	-48.9052	-14.4289	-10.2188	HCA2	7766	0	0	0	0.09	
-7769	C1	SLES	1	-48.0588	-12.4623	-9.18131	CC32A	7766	7770	7771	7772	-0.01	
-7770	H1B	SLES	1	-47.6338	-11.8853	-10.0132	HCA2	7769	0	0	0	0.09	
-7771	H1A	SLES	1	-47.7308	-13.5172	-8.86206	HCA2	7769	0	0	0	0.09	
-7772	O1	SLES	1	-47.0586	-12.1235	-8.25574	OC30A	7769	7773	0	0	-0.34	
-7773	C1	SLES	1	-45.7023	-12.2958	-8.64131	CTL2	7772	7774	7775	7776	-0.18	
-7774	H11	SLES	1	-45.4217	-11.8944	-9.65489	HAL2	7773	0	0	0	0.09	
-7775	H12	SLES	1	-45.4291	-13.3811	-8.63156	HAL2	7773	0	0	0	0.09	
-7776	C2	SLES	1	-45.0271	-11.515	-7.51469	CTL2	7773	7777	7778	7779	-0.18	
-7777	H21	SLES	1	-45.2401	-10.4193	-7.5426	HAL2	7776	0	0	0	0.09	
-7778	H22	SLES	1	-45.2765	-11.9074	-6.49875	HAL2	7776	0	0	0	0.09	
-7779	C3	SLES	1	-43.5918	-11.737	-7.77361	CTL2	7776	7780	7781	7782	-0.18	
-7780	H31	SLES	1	-43.4176	-11.3235	-8.80416	HAL2	7779	0	0	0	0.09	
-7781	H32	SLES	1	-43.4599	-12.8536	-7.73512	HAL2	7779	0	0	0	0.09	
-7782	C4	SLES	1	-42.5434	-11.1495	-6.88557	CTL2	7779	7783	7784	7785	-0.18	
-7783	H41	SLES	1	-42.6023	-10.0333	-6.86938	HAL2	7782	0	0	0	0.09	
-7784	H42	SLES	1	-42.6464	-11.5154	-5.83706	HAL2	7782	0	0	0	0.09	
-7785	C5	SLES	1	-41.3107	-11.6964	-7.61816	CTL2	7782	7786	7787	7788	-0.18	
-7786	H51	SLES	1	-41.3036	-11.3529	-8.68682	HAL2	7785	0	0	0	0.09	
-7787	H52	SLES	1	-41.3468	-12.8166	-7.66575	HAL2	7785	0	0	0	0.09	
-7788	C6	SLES	1	-39.9965	-11.3495	-7.06521	CTL2	7785	7789	7790	7791	-0.18	
-7789	H61	SLES	1	-39.4262	-10.8549	-7.89769	HAL2	7788	0	0	0	0.09	
-7790	H62	SLES	1	-39.4694	-12.3225	-6.87361	HAL2	7788	0	0	0	0.09	
-7791	C7	SLES	1	-39.983	-10.4728	-5.80706	CTL2	7788	7792	7793	7794	-0.18	
-7792	H71	SLES	1	-40.4226	-9.45841	-5.95652	HAL2	7791	0	0	0	0.09	
-7793	H72	SLES	1	-40.4661	-10.9444	-4.91993	HAL2	7791	0	0	0	0.09	
-7794	C8	SLES	1	-38.5142	-10.3746	-5.60628	CTL2	7791	7795	7796	7797	-0.18	
-7795	H81	SLES	1	-38.0961	-9.91306	-6.54458	HAL2	7794	0	0	0	0.09	
-7796	H82	SLES	1	-38.1411	-11.4314	-5.48645	HAL2	7794	0	0	0	0.09	
-7797	C9	SLES	1	-37.9591	-9.59554	-4.46534	CTL2	7794	7798	7799	7800	-0.18	
-7798	H91	SLES	1	-38.273	-8.53025	-4.53815	HAL2	7797	0	0	0	0.09	
-7799	H92	SLES	1	-38.3165	-10.0197	-3.5002	HAL2	7797	0	0	0	0.09	
-7800	C10	SLES	1	-36.4635	-9.80103	-4.69711	CTL2	7797	7801	7802	7803	-0.18	
-7801	H10	SLES	1	-36.179	-9.42086	-5.71533	HAL2	7800	0	0	0	0.09	
-7802	H10	SLES	1	-36.2225	-10.8989	-4.68476	HAL2	7800	0	0	0	0.09	
-7803	C11	SLES	1	-35.5709	-9.13362	-3.70191	CTL2	7800	7804	7805	7806	-0.18	
-7804	H11	SLES	1	-35.7974	-8.04236	-3.73245	HAL2	7803	0	0	0	0.09	
-7805	H11	SLES	1	-35.8415	-9.52904	-2.69547	HAL2	7803	0	0	0	0.09	
-7806	C12	SLES	1	-34.1101	-9.42392	-4.05746	CTL3	7803	7807	7808	7809	-0.27	
-7807	H12	SLES	1	-33.5772	-8.47793	-4.27498	HAL3	7806	0	0	0	0.09	
-7808	H12	SLES	1	-33.6209	-9.97538	-3.23101	HAL3	7806	0	0	0	0.09	
-7809	H12	SLES	1	-34.0122	-10.063	-4.96927	HAL3	7806	0	0	0	0.09	
-7810	NA	SLES	1	-50.0696	-27.9863	-10.6938	NA	0	0	0	0	1	
-7811	S	SLES	1	-47.8295	-27.939	-12.7318	SL	7812	7813	7814	7815	1.33	
-7812	OS1	SLES	1	-47.2751	-27.2654	-11.5451	OSL	7811	7816	0	0	-0.28	
-7813	OS2	SLES	1	-48.9247	-26.9968	-12.7901	O2L	7811	0	0	0	-0.65	
-7814	OS3	SLES	1	-48.0914	-29.1362	-11.9666	O2L	7811	0	0	0	-0.65	
-7815	OS4	SLES	1	-46.8029	-27.9243	-13.7357	O2L	7811	0	0	0	-0.65	
-7816	C2	SLES	1	-46.0138	-26.7534	-11.3779	CC32A	7812	7817	7818	7819	-0.11	
-7817	H2A	SLES	1	-45.8077	-25.9497	-12.1333	HCA2	7816	0	0	0	0.09	
-7818	H2B	SLES	1	-45.2389	-27.5608	-11.4626	HCA2	7816	0	0	0	0.09	
-7819	C1	SLES	1	-46.0852	-26.18	-9.94625	CC32A	7816	7820	7821	7822	-0.01	
-7820	H1B	SLES	1	-46.8844	-25.3982	-9.86707	HCA2	7819	0	0	0	0.09	
-7821	H1A	SLES	1	-46.3	-26.9879	-9.20438	HCA2	7819	0	0	0	0.09	
-7822	O1	SLES	1	-44.9594	-25.5568	-9.41865	OC30A	7819	7823	0	0	-0.34	
-7823	C2	SLES	1	-43.8072	-25.4628	-10.2362	CC32A	7822	7824	7825	7826	-0.01	
-7824	H2A	SLES	1	-44.0394	-24.8895	-11.179	HCA2	7823	0	0	0	0.09	
-7825	H2B	SLES	1	-43.43	-26.4726	-10.5218	HCA2	7823	0	0	0	0.09	
-7826	C1	SLES	1	-43.1735	-24.5849	-9.0966	CC32A	7823	7827	7828	7829	-0.01	
-7827	H1B	SLES	1	-43.0814	-23.739	-9.79063	HCA2	7826	0	0	0	0.09	
-7828	H1A	SLES	1	-42.4687	-25.4923	-9.05005	HCA2	7826	0	0	0	0.09	
-7829	O1	SLES	1	-42.2362	-24.1024	-8.16889	OC30A	7826	7830	0	0	-0.34	
-7830	C1	SLES	1	-40.9642	-23.6941	-8.65175	CTL2	7829	7831	7832	7833	-0.18	
-7831	H11	SLES	1	-40.9707	-23.0236	-9.55597	HAL2	7830	0	0	0	0.09	
-7832	H12	SLES	1	-40.3403	-24.5866	-8.91005	HAL2	7830	0	0	0	0.09	
-7833	C2	SLES	1	-40.4535	-22.9663	-7.40904	CTL2	7830	7834	7835	7836	-0.18	
-7834	H21	SLES	1	-41.0272	-22.039	-7.16896	HAL2	7833	0	0	0	0.09	
-7835	H22	SLES	1	-40.4207	-23.6178	-6.50198	HAL2	7833	0	0	0	0.09	
-7836	C3	SLES	1	-39.0746	-22.6002	-7.78453	CTL2	7833	7837	7838	7839	-0.18	
-7837	H31	SLES	1	-39.1865	-21.9536	-8.69706	HAL2	7836	0	0	0	0.09	
-7838	H32	SLES	1	-38.5679	-23.5779	-8.01518	HAL2	7836	0	0	0	0.09	
-7839	C4	SLES	1	-38.1815	-21.8663	-6.83747	CTL2	7836	7840	7841	7842	-0.18	
-7840	H41	SLES	1	-38.6129	-20.8737	-6.55749	HAL2	7839	0	0	0	0.09	
-7841	H42	SLES	1	-38.0171	-22.4476	-5.89995	HAL2	7839	0	0	0	0.09	
-7842	C5	SLES	1	-36.9429	-21.7739	-7.73871	CTL2	7839	7843	7844	7845	-0.18	
-7843	H51	SLES	1	-37.1916	-21.2435	-8.69625	HAL2	7842	0	0	0	0.09	
-7844	H52	SLES	1	-36.6027	-22.7979	-8.04533	HAL2	7842	0	0	0	0.09	
-7845	C6	SLES	1	-35.7642	-21.0962	-7.18668	CTL2	7842	7846	7847	7848	-0.18	
-7846	H61	SLES	1	-35.5088	-20.2731	-7.90783	HAL2	7845	0	0	0	0.09	
-7847	H62	SLES	1	-34.9182	-21.8317	-7.25492	HAL2	7845	0	0	0	0.09	
-7848	C7	SLES	1	-35.8854	-20.5456	-5.7606	CTL2	7845	7849	7850	7851	-0.18	
-7849	H71	SLES	1	-36.6584	-19.7494	-5.64616	HAL2	7848	0	0	0	0.09	
-7850	H72	SLES	1	-36.0602	-21.3274	-4.98537	HAL2	7848	0	0	0	0.09	
-7851	C8	SLES	1	-34.5241	-19.9681	-5.61646	CTL2	7848	7852	7853	7854	-0.18	
-7852	H81	SLES	1	-34.4131	-19.2086	-6.44044	HAL2	7851	0	0	0	0.09	
-7853	H82	SLES	1	-33.8025	-20.8209	-5.76625	HAL2	7851	0	0	0	0.09	
-7854	C9	SLES	1	-34.1227	-19.288	-4.35424	CTL2	7851	7855	7856	7857	-0.18	
-7855	H91	SLES	1	-34.786	-18.4156	-4.15979	HAL2	7854	0	0	0	0.09	
-7856	H92	SLES	1	-34.1865	-19.9971	-3.4985	HAL2	7854	0	0	0	0.09	
-7857	C10	SLES	1	-32.6898	-18.8906	-4.70252	CTL2	7854	7858	7859	7860	-0.18	
-7858	H10	SLES	1	-32.686	-18.2372	-5.61644	HAL2	7857	0	0	0	0.09	
-7859	H10	SLES	1	-32.0913	-19.8067	-4.95963	HAL2	7857	0	0	0	0.09	
-7860	C11	SLES	1	-31.9551	-18.1616	-3.62489	CTL2	7857	7861	7862	7863	-0.18	
-7861	H11	SLES	1	-32.5402	-17.2426	-3.38771	HAL2	7860	0	0	0	0.09	
-7862	H11	SLES	1	-31.9423	-18.8215	-2.72669	HAL2	7860	0	0	0	0.09	
-7863	C12	SLES	1	-30.5418	-17.8291	-4.11147	CTL3	7860	7864	7865	7866	-0.27	
-7864	H12	SLES	1	-30.3945	-16.7317	-4.12799	HAL3	7863	0	0	0	0.09	
-7865	H12	SLES	1	-29.7915	-18.3217	-3.46273	HAL3	7863	0	0	0	0.09	
-7866	H12	SLES	1	-30.3524	-18.1929	-5.15128	HAL3	7863	0	0	0	0.09	
-7867	NA	SLES	1	-40.7904	-40.3981	-10.563	NA	0	0	0	0	1	
-7868	S	SLES	1	-39.0956	-39.2132	-12.7761	SL	7869	7870	7871	7872	1.33	
-7869	OS1	SLES	1	-38.5979	-38.5841	-11.5409	OSL	7868	7873	0	0	-0.28	
-7870	OS2	SLES	1	-40.4353	-38.7373	-12.5124	O2L	7868	0	0	0	-0.65	
-7871	OS3	SLES	1	-38.8006	-40.5298	-12.2597	O2L	7868	0	0	0	-0.65	
-7872	OS4	SLES	1	-38.3291	-38.6654	-13.8597	O2L	7868	0	0	0	-0.65	
-7873	C2	SLES	1	-37.573	-37.6826	-11.4071	CC32A	7869	7874	7875	7876	-0.11	
-7874	H2A	SLES	1	-37.786	-36.7488	-11.9917	HCA2	7873	0	0	0	0.09	
-7875	H2B	SLES	1	-36.6003	-38.1282	-11.746	HCA2	7873	0	0	0	0.09	
-7876	C1	SLES	1	-37.577	-37.4123	-9.88707	CC32A	7873	7877	7878	7879	-0.01	
-7877	H1B	SLES	1	-38.5647	-36.9981	-9.55637	HCA2	7876	0	0	0	0.09	
-7878	H1A	SLES	1	-37.3731	-38.3509	-9.3155	HCA2	7876	0	0	0	0.09	
-7879	O1	SLES	1	-36.6508	-36.5159	-9.36486	OC30A	7876	7880	0	0	-0.34	
-7880	C2	SLES	1	-35.7615	-35.8795	-10.2643	CC32A	7879	7881	7882	7883	-0.01	
-7881	H2A	SLES	1	-36.3361	-35.2864	-11.0322	HCA2	7880	0	0	0	0.09	
-7882	H2B	SLES	1	-35.1246	-36.6233	-10.7979	HCA2	7880	0	0	0	0.09	
-7883	C1	SLES	1	-35.2673	-35.0266	-9.03993	CC32A	7880	7884	7885	7886	-0.01	
-7884	H1B	SLES	1	-35.589	-34.1054	-9.54358	HCA2	7883	0	0	0	0.09	
-7885	H1A	SLES	1	-34.3026	-35.6105	-9.26503	HCA2	7883	0	0	0	0.09	
-7886	O1	SLES	1	-34.3972	-34.3921	-8.13868	OC30A	7883	7887	0	0	-0.34	
-7887	C1	SLES	1	-33.443	-33.4775	-8.65929	CTL2	7886	7888	7889	7890	-0.18	
-7888	H11	SLES	1	-33.8345	-32.7194	-9.39361	HAL2	7887	0	0	0	0.09	
-7889	H12	SLES	1	-32.6124	-34.0283	-9.16836	HAL2	7887	0	0	0	0.09	
-7890	C2	SLES	1	-32.9939	-32.8235	-7.35336	CTL2	7887	7891	7892	7893	-0.18	
-7891	H21	SLES	1	-33.7931	-32.2197	-6.86003	HAL2	7890	0	0	0	0.09	
-7892	H22	SLES	1	-32.584	-33.5551	-6.61509	HAL2	7890	0	0	0	0.09	
-7893	C3	SLES	1	-31.9076	-31.9261	-7.79038	CTL2	7890	7894	7895	7896	-0.18	
-7894	H31	SLES	1	-32.3901	-31.2268	-8.52635	HAL2	7893	0	0	0	0.09	
-7895	H32	SLES	1	-31.152	-32.6021	-8.27796	HAL2	7893	0	0	0	0.09	
-7896	C4	SLES	1	-31.1593	-31.0801	-6.81193	CTL2	7893	7897	7898	7899	-0.18	
-7897	H41	SLES	1	-31.8416	-30.371	-6.28148	HAL2	7896	0	0	0	0.09	
-7898	H42	SLES	1	-30.6458	-31.7043	-6.04349	HAL2	7896	0	0	0	0.09	
-7899	C5	SLES	1	-30.2044	-30.4003	-7.80242	CTL2	7896	7900	7901	7902	-0.18	
-7900	H51	SLES	1	-30.7824	-29.8503	-8.59196	HAL2	7899	0	0	0	0.09	
-7901	H52	SLES	1	-29.6007	-31.1672	-8.35548	HAL2	7899	0	0	0	0.09	
-7902	C6	SLES	1	-29.2431	-29.4387	-7.25066	CTL2	7899	7903	7904	7905	-0.18	
-7903	H61	SLES	1	-29.411	-28.4747	-7.8033	HAL2	7902	0	0	0	0.09	
-7904	H62	SLES	1	-28.2259	-29.7952	-7.56598	HAL2	7902	0	0	0	0.09	
-7905	C7	SLES	1	-29.2867	-29.2065	-5.7355	CTL2	7902	7906	7907	7908	-0.18	
-7906	H71	SLES	1	-30.2485	-28.7751	-5.37035	HAL2	7905	0	0	0	0.09	
-7907	H72	SLES	1	-29.0485	-30.1119	-5.13034	HAL2	7905	0	0	0	0.09	
-7908	C8	SLES	1	-28.1953	-28.2048	-5.62103	CTL2	7905	7909	7910	7911	-0.18	
-7909	H81	SLES	1	-28.4937	-27.3351	-6.2713	HAL2	7908	0	0	0	0.09	
-7910	H82	SLES	1	-27.2682	-28.701	-6.02694	HAL2	7908	0	0	0	0.09	
-7911	C9	SLES	1	-27.8279	-27.6375	-4.29438	CTL2	7908	7912	7913	7914	-0.18	
-7912	H91	SLES	1	-28.6996	-27.1092	-3.8473	HAL2	7911	0	0	0	0.09	
-7913	H92	SLES	1	-27.4971	-28.4488	-3.60769	HAL2	7911	0	0	0	0.09	
-7914	C10	SLES	1	-26.6973	-26.6961	-4.70423	CTL2	7911	7915	7916	7917	-0.18	
-7915	H10	SLES	1	-27.0752	-25.9483	-5.45272	HAL2	7914	0	0	0	0.09	
-7916	H10	SLES	1	-25.882	-27.2779	-5.21439	HAL2	7914	0	0	0	0.09	
-7917	C11	SLES	1	-26.0707	-25.933	-3.58274	CTL2	7914	7918	7919	7920	-0.18	
-7918	H11	SLES	1	-26.8781	-25.3404	-3.09277	HAL2	7917	0	0	0	0.09	
-7919	H11	SLES	1	-25.678	-26.6782	-2.8527	HAL2	7917	0	0	0	0.09	
-7920	C12	SLES	1	-24.961	-25.0361	-4.13854	CTL3	7917	7921	7922	7923	-0.27	
-7921	H12	SLES	1	-25.1957	-23.9729	-3.93682	HAL3	7920	0	0	0	0.09	
-7922	H12	SLES	1	-23.9865	-25.3196	-3.69553	HAL3	7920	0	0	0	0.09	
-7923	H12	SLES	1	-24.8485	-25.1341	-5.2463	HAL3	7920	0	0	0	0.09	
-7924	NA	SLES	1	-28.4779	-49.8493	-10.5611	NA	0	0	0	0	1	
-7925	S	SLES	1	-27.7917	-47.8955	-12.7716	SL	7926	7927	7928	7929	1.33	
-7926	OS1	SLES	1	-27.2828	-47.2674	-11.5404	OSL	7925	7930	0	0	-0.28	
-7927	OS2	SLES	1	-29.1244	-47.9709	-12.2159	O2L	7925	0	0	0	-0.65	
-7928	OS3	SLES	1	-26.9693	-49.0628	-12.5514	O2L	7925	0	0	0	-0.65	
-7929	OS4	SLES	1	-27.5029	-46.9918	-13.8495	O2L	7925	0	0	0	-0.65	
-7930	C2	SLES	1	-26.616	-46.0753	-11.415	CC32A	7926	7931	7932	7933	-0.11	
-7931	H2A	SLES	1	-27.2492	-45.2251	-11.7825	HCA2	7930	0	0	0	0.09	
-7932	H2B	SLES	1	-25.6461	-46.0971	-11.9793	HCA2	7930	0	0	0	0.09	
-7933	C1	SLES	1	-26.3865	-45.9926	-9.89053	CC32A	7930	7934	7935	7936	-0.01	
-7934	H1B	SLES	1	-27.3612	-46.0045	-9.3373	HCA2	7933	0	0	0	0.09	
-7935	H1A	SLES	1	-25.7627	-46.8492	-9.53503	HCA2	7933	0	0	0	0.09	
-7936	O1	SLES	1	-25.7259	-44.8836	-9.37303	OC30A	7933	7937	0	0	-0.34	
-7937	C2	SLES	1	-25.3149	-43.8735	-10.2761	CC32A	7936	7938	7939	7940	-0.01	
-7938	H2A	SLES	1	-26.2048	-43.4498	-10.824	HCA2	7937	0	0	0	0.09	
-7939	H2B	SLES	1	-24.5948	-44.2718	-11.0285	HCA2	7937	0	0	0	0.09	
-7940	C1	SLES	1	-24.8866	-43.0383	-9.01518	CC32A	7937	7941	7942	7943	-0.01	
-7941	H1B	SLES	1	-25.598	-42.248	-9.28894	HCA2	7940	0	0	0	0.09	
-7942	H1A	SLES	1	-23.8534	-43.2033	-9.49235	HCA2	7940	0	0	0	0.09	
-7943	O1	SLES	1	-24.1088	-42.2334	-8.16718	OC30A	7940	7944	0	0	-0.34	
-7944	C1	SLES	1	-23.6509	-40.9836	-8.66342	CTL2	7943	7945	7946	7947	-0.18	
-7945	H11	SLES	1	-24.4209	-40.3443	-9.17888	HAL2	7944	0	0	0	0.09	
-7946	H12	SLES	1	-22.8124	-41.1357	-9.38887	HAL2	7944	0	0	0	0.09	
-7947	C2	SLES	1	-23.1798	-40.3577	-7.35142	CTL2	7944	7948	7949	7950	-0.18	
-7948	H21	SLES	1	-24.0105	-40.1434	-6.63689	HAL2	7947	0	0	0	0.09	
-7949	H22	SLES	1	-22.4009	-40.9662	-6.83038	HAL2	7947	0	0	0	0.09	
-7950	C3	SLES	1	-22.5771	-39.085	-7.79077	CTL2	7947	7951	7952	7953	-0.18	
-7951	H31	SLES	1	-23.4112	-38.533	-8.30368	HAL2	7950	0	0	0	0.09	
-7952	H32	SLES	1	-21.7608	-39.3825	-8.50556	HAL2	7950	0	0	0	0.09	
-7953	C4	SLES	1	-21.9656	-38.137	-6.81067	CTL2	7950	7954	7955	7956	-0.18	
-7954	H41	SLES	1	-22.7165	-37.7868	-6.06017	HAL2	7953	0	0	0	0.09	
-7955	H42	SLES	1	-21.1212	-38.6117	-6.2579	HAL2	7953	0	0	0	0.09	
-7956	C5	SLES	1	-21.5284	-37.0529	-7.80497	CTL2	7953	7957	7958	7959	-0.18	
-7957	H51	SLES	1	-22.4115	-36.668	-8.38104	HAL2	7956	0	0	0	0.09	
-7958	H52	SLES	1	-20.835	-37.4826	-8.57506	HAL2	7956	0	0	0	0.09	
-7959	C6	SLES	1	-20.8512	-35.874	-7.25281	CTL2	7956	7960	7961	7962	-0.18	
-7960	H61	SLES	1	-21.4463	-34.9828	-7.59121	HAL2	7959	0	0	0	0.09	
-7961	H62	SLES	1	-19.8653	-35.7997	-7.7856	HAL2	7959	0	0	0	0.09	
-7962	C7	SLES	1	-20.6461	-35.8403	-5.73348	CTL2	7959	7963	7964	7965	-0.18	
-7963	H71	SLES	1	-21.5957	-35.8307	-5.1479	HAL2	7962	0	0	0	0.09	
-7964	H72	SLES	1	-19.995	-36.6575	-5.34495	HAL2	7962	0	0	0	0.09	
-7965	C8	SLES	1	-19.9562	-34.5294	-5.61967	CTL2	7962	7966	7967	7968	-0.18	
-7966	H81	SLES	1	-20.6602	-33.7623	-6.04868	HAL2	7965	0	0	0	0.09	
-7967	H82	SLES	1	-19.0255	-34.6073	-6.25076	HAL2	7965	0	0	0	0.09	
-7968	C9	SLES	1	-19.5266	-34.0158	-4.28984	CTL2	7965	7969	7970	7971	-0.18	
-7969	H91	SLES	1	-20.4084	-33.8927	-3.622	HAL2	7968	0	0	0	0.09	
-7970	H92	SLES	1	-18.8046	-34.7211	-3.82033	HAL2	7968	0	0	0	0.09	
-7971	C10	SLES	1	-18.8921	-32.6891	-4.70212	CTL2	7968	7972	7973	7974	-0.18	
-7972	H10	SLES	1	-19.6493	-32.053	-5.23535	HAL2	7971	0	0	0	0.09	
-7973	H10	SLES	1	-18.0576	-32.8754	-5.43167	HAL2	7971	0	0	0	0.09	
-7974	C11	SLES	1	-18.3341	-31.8778	-3.57832	CTL2	7971	7975	7976	7977	-0.18	
-7975	H11	SLES	1	-19.1693	-31.6765	-2.86774	HAL2	7974	0	0	0	0.09	
-7976	H11	SLES	1	-17.5682	-32.5041	-3.06493	HAL2	7974	0	0	0	0.09	
-7977	C12	SLES	1	-17.7351	-30.5839	-4.13683	CTL3	7974	7978	7979	7980	-0.27	
-7978	H12	SLES	1	-18.264	-29.7076	-3.71448	HAL3	7977	0	0	0	0.09	
-7979	H12	SLES	1	-16.6512	-30.5404	-3.91355	HAL3	7977	0	0	0	0.09	
-7980	H12	SLES	1	-17.835	-30.5128	-5.24786	HAL3	7977	0	0	0	0.09	
-7981	NA	SLES	1	-14.0881	-55.6054	-10.6883	NA	0	0	0	0	1	
-7982	S	SLES	1	-14.643	-53.4272	-12.7185	SL	7983	7984	7985	7986	1.33	
-7983	OS1	SLES	1	-14.1041	-52.7207	-11.5438	OSL	7982	7987	0	0	-0.28	
-7984	OS2	SLES	1	-15.7016	-54.0048	-11.9208	O2L	7982	0	0	0	-0.65	
-7985	OS3	SLES	1	-13.4462	-54.23	-12.8218	O2L	7982	0	0	0	-0.65	
-7986	OS4	SLES	1	-14.9386	-52.4272	-13.7056	O2L	7982	0	0	0	-0.65	
-7987	C2	SLES	1	-13.8715	-51.3766	-11.4011	CC32A	7983	7988	7989	7990	-0.11	
-7988	H2A	SLES	1	-14.8228	-50.7937	-11.5201	HCA2	7987	0	0	0	0.09	
-7989	H2B	SLES	1	-13.1125	-51.0196	-12.1469	HCA2	7987	0	0	0	0.09	
-7990	C1	SLES	1	-13.3336	-51.2936	-9.95639	CC32A	7987	7991	7992	7993	-0.01	
-7991	H1B	SLES	1	-14.0882	-51.683	-9.22481	HCA2	7990	0	0	0	0.09	
-7992	H1A	SLES	1	-12.3915	-51.8852	-9.84799	HCA2	7990	0	0	0	0.09	
-7993	O1	SLES	1	-12.9866	-50.0487	-9.4426	OC30A	7990	7994	0	0	-0.34	
-7994	C2	SLES	1	-13.1662	-48.9143	-10.2707	CC32A	7993	7995	7996	7997	-0.01	
-7995	H2A	SLES	1	-14.2489	-48.8121	-10.5687	HCA2	7994	0	0	0	0.09	
-7996	H2B	SLES	1	-12.551	-48.9886	-11.1979	HCA2	7994	0	0	0	0.09	
-7997	C1	SLES	1	-12.764	-48.0454	-9.02404	CC32A	7994	7998	7999	8000	-0.01	
-7998	H1B	SLES	1	-13.7443	-47.5513	-9.04406	HCA2	7997	0	0	0	0.09	
-7999	H1A	SLES	1	-11.8783	-47.8035	-9.7165	HCA2	7997	0	0	0	0.09	
-8000	O1	SLES	1	-12.1298	-47.0583	-8.25244	OC30A	7997	8001	0	0	-0.34	
-8001	C1	SLES	1	-12.2526	-45.7042	-8.66385	CTL2	8000	8002	8003	8004	-0.18	
-8002	H11	SLES	1	-13.2917	-45.3597	-8.9264	HAL2	8001	0	0	0	0.09	
-8003	H12	SLES	1	-11.6069	-45.5078	-9.55655	HAL2	8001	0	0	0	0.09	
-8004	C2	SLES	1	-11.7285	-45.0176	-7.40337	CTL2	8001	8005	8006	8007	-0.18	
-8005	H21	SLES	1	-12.3909	-45.1526	-6.51473	HAL2	8004	0	0	0	0.09	
-8006	H22	SLES	1	-10.6905	-45.3305	-7.13318	HAL2	8004	0	0	0	0.09	
-8007	C3	SLES	1	-11.7139	-43.5928	-7.78567	CTL2	8004	8008	8009	8010	-0.18	
-8008	H31	SLES	1	-12.7811	-43.3529	-8.04422	HAL2	8007	0	0	0	0.09	
-8009	H32	SLES	1	-11.0365	-43.5405	-8.68247	HAL2	8007	0	0	0	0.09	
-8010	C4	SLES	1	-11.2488	-42.5389	-6.8338	CTL2	8007	8011	8012	8013	-0.18	
-8011	H41	SLES	1	-11.8761	-42.5205	-5.90862	HAL2	8010	0	0	0	0.09	
-8012	H42	SLES	1	-10.1891	-42.7052	-6.52858	HAL2	8010	0	0	0	0.09	
-8013	C5	SLES	1	-11.4508	-41.3216	-7.74616	CTL2	8010	8014	8015	8016	-0.18	
-8014	H51	SLES	1	-12.5209	-41.2517	-8.07787	HAL2	8013	0	0	0	0.09	
-8015	H52	SLES	1	-10.8537	-41.4339	-8.68911	HAL2	8013	0	0	0	0.09	
-8016	C6	SLES	1	-11.1044	-40.0074	-7.19296	CTL2	8013	8017	8018	8019	-0.18	
-8017	H61	SLES	1	-12.0281	-39.3741	-7.28602	HAL2	8016	0	0	0	0.09	
-8018	H62	SLES	1	-10.3561	-39.5567	-7.89881	HAL2	8016	0	0	0	0.09	
-8019	C7	SLES	1	-10.5733	-39.9786	-5.75467	CTL2	8016	8020	8021	8022	-0.18	
-8020	H71	SLES	1	-11.3047	-40.3406	-4.99397	HAL2	8019	0	0	0	0.09	
-8021	H72	SLES	1	-9.61196	-40.5253	-5.61459	HAL2	8019	0	0	0	0.09	
-8022	C8	SLES	1	-10.3627	-38.5147	-5.61248	CTL2	8019	8023	8024	8025	-0.18	
-8023	H81	SLES	1	-11.3647	-38.0317	-5.78774	HAL2	8022	0	0	0	0.09	
-8024	H82	SLES	1	-9.63605	-38.2208	-6.42245	HAL2	8022	0	0	0	0.09	
-8025	C9	SLES	1	-9.83416	-37.9485	-4.34093	CTL2	8022	8026	8027	8028	-0.18	
-8026	H91	SLES	1	-10.523	-38.1845	-3.49922	HAL2	8025	0	0	0	0.09	
-8027	H92	SLES	1	-8.82718	-38.3694	-4.12193	HAL2	8025	0	0	0	0.09	
-8028	C10	SLES	1	-9.80252	-36.4634	-4.69633	CTL2	8025	8029	8030	8031	-0.18	
-8029	H10	SLES	1	-10.833	-36.1163	-4.97913	HAL2	8028	0	0	0	0.09	
-8030	H10	SLES	1	-9.14971	-36.3001	-5.59668	HAL2	8028	0	0	0	0.09	
-8031	C11	SLES	1	-9.30617	-35.5633	-3.61195	CTL2	8028	8032	8033	8034	-0.18	
-8032	H11	SLES	1	-9.96911	-35.7118	-2.72793	HAL2	8031	0	0	0	0.09	
-8033	H11	SLES	1	-8.27571	-35.8971	-3.3489	HAL2	8031	0	0	0	0.09	
-8034	C12	SLES	1	-9.32992	-34.1142	-4.10647	CTL3	8031	8035	8036	8037	-0.27	
-8035	H12	SLES	1	-10.0102	-33.5092	-3.47614	HAL3	8034	0	0	0	0.09	
-8036	H12	SLES	1	-8.30489	-33.695	-4.10193	HAL3	8034	0	0	0	0.09	
-8037	H12	SLES	1	-9.70514	-34.0281	-5.15585	HAL3	8034	0	0	0	0.09	
-8038	NA	SLES	1	1.2519	-57.2544	-10.9359	NA	0	0	0	0	1	
-8039	S	SLES	1	-0.48998	-55.4372	-12.6204	SL	8040	8041	8042	8043	1.33	
-8040	OS1	SLES	1	0.0356554	-54.5718	-11.5508	OSL	8039	8044	0	0	-0.28	
-8041	OS2	SLES	1	-1.06018	-56.3418	-11.6472	O2L	8039	0	0	0	-0.65	
-8042	OS3	SLES	1	0.848698	-55.7667	-13.0524	O2L	8039	0	0	0	-0.65	
-8043	OS4	SLES	1	-1.34	-54.618	-13.438	O2L	8039	0	0	0	-0.65	
-8044	C2	SLES	1	-0.183811	-53.2305	-11.3664	CC32A	8040	8045	8046	8047	-0.11	
-8045	H2A	SLES	1	-1.27696	-53.0227	-11.2223	HCA2	8044	0	0	0	0.09	
-8046	H2B	SLES	1	0.203164	-52.6376	-12.2372	HCA2	8044	0	0	0	0.09	
-8047	C1	SLES	1	0.621073	-52.9455	-10.0802	CC32A	8044	8048	8049	8050	-0.01	
-8048	H1B	SLES	1	0.245908	-53.5675	-9.22655	HCA2	8047	0	0	0	0.09	
-8049	H1A	SLES	1	1.7063	-53.1649	-10.2331	HCA2	8047	0	0	0	0.09	
-8050	O1	SLES	1	0.6284	-51.6522	-9.56883	OC30A	8047	8051	0	0	-0.34	
-8051	C2	SLES	1	-0.124691	-50.6644	-10.2485	CC32A	8050	8052	8053	8054	-0.01	
-8052	H2A	SLES	1	-1.21367	-50.9548	-10.2837	HCA2	8051	0	0	0	0.09	
-8053	H2B	SLES	1	0.23748	-50.5278	-11.2943	HCA2	8051	0	0	0	0.09	
-8054	C1	SLES	1	0.238069	-49.6946	-9.06589	CC32A	8051	8055	8056	8057	-0.01	
-8055	H1B	SLES	1	-0.827066	-49.5788	-8.82563	HCA2	8054	0	0	0	0.09	
-8056	H1A	SLES	1	0.792486	-49.1638	-9.92223	HCA2	8054	0	0	0	0.09	
-8057	O1	SLES	1	0.656792	-48.5378	-8.38865	OC30A	8054	8058	0	0	-0.34	
-8058	C1	SLES	1	-0.0211082	-47.3195	-8.66055	CTL2	8057	8059	8060	8061	-0.18	
-8059	H11	SLES	1	-1.1458	-47.3673	-8.65338	HAL2	8058	0	0	0	0.09	
-8060	H12	SLES	1	0.28348	-46.9184	-9.65999	HAL2	8058	0	0	0	0.09	
-8061	C2	SLES	1	0.518503	-46.4768	-7.50567	CTL2	8058	8062	8063	8064	-0.18	
-8062	H21	SLES	1	0.176663	-46.8264	-6.50188	HAL2	8061	0	0	0	0.09	
-8063	H22	SLES	1	1.63312	-46.3997	-7.50285	HAL2	8061	0	0	0	0.09	
-8064	C3	SLES	1	-0.0521241	-45.1435	-7.77542	CTL2	8061	8065	8066	8067	-0.18	
-8065	H31	SLES	1	-1.16526	-45.299	-7.76565	HAL2	8064	0	0	0	0.09	
-8066	H32	SLES	1	0.329941	-44.8661	-8.79663	HAL2	8064	0	0	0	0.09	
-8067	C4	SLES	1	0.233177	-43.9819	-6.87972	CTL2	8064	8068	8069	8070	-0.18	
-8068	H41	SLES	1	-0.121143	-44.175	-5.83717	HAL2	8067	0	0	0	0.09	
-8069	H42	SLES	1	1.32523	-43.7594	-6.83707	HAL2	8067	0	0	0	0.09	
-8070	C5	SLES	1	-0.589096	-42.9254	-7.63001	CTL2	8067	8071	8072	8073	-0.18	
-8071	H51	SLES	1	-1.66356	-43.242	-7.70311	HAL2	8070	0	0	0	0.09	
-8072	H52	SLES	1	-0.233893	-42.8309	-8.68986	HAL2	8070	0	0	0	0.09	
-8073	C6	SLES	1	-0.596769	-41.567	-7.07521	CTL2	8070	8074	8075	8076	-0.18	
-8074	H61	SLES	1	-1.67606	-41.302	-6.90854	HAL2	8073	0	0	0	0.09	
-8075	H62	SLES	1	-0.242321	-40.8896	-7.89789	HAL2	8073	0	0	0	0.09	
-8076	C7	SLES	1	0.219079	-41.3351	-5.79763	CTL2	8073	8077	8078	8079	-0.18	
-8077	H71	SLES	1	-0.137471	-41.923	-4.91904	HAL2	8076	0	0	0	0.09	
-8078	H72	SLES	1	1.31388	-41.5053	-5.92088	HAL2	8076	0	0	0	0.09	
-8079	C8	SLES	1	-0.0617829	-39.8896	-5.59995	CTL2	8076	8080	8081	8082	-0.18	
-8080	H81	SLES	1	-1.1799	-39.7938	-5.50628	HAL2	8079	0	0	0	0.09	
-8081	H82	SLES	1	0.302254	-39.3677	-6.53032	HAL2	8079	0	0	0	0.09	
-8082	C9	SLES	1	0.526095	-39.1579	-4.44417	CTL2	8079	8083	8084	8085	-0.18	
-8083	H91	SLES	1	0.183926	-39.6119	-3.48735	HAL2	8082	0	0	0	0.09	
-8084	H92	SLES	1	1.63769	-39.1934	-4.49194	HAL2	8082	0	0	0	0.09	
-8085	C10	SLES	1	-0.0435056	-37.7618	-4.68726	CTL2	8082	8086	8087	8088	-0.18	
-8086	H10	SLES	1	-1.1661	-37.8045	-4.70153	HAL2	8085	0	0	0	0.09	
-8087	H10	SLES	1	0.277096	-37.3893	-5.69816	HAL2	8085	0	0	0	0.09	
-8088	C11	SLES	1	0.355008	-36.7314	-3.68133	CTL2	8085	8089	8090	8091	-0.18	
-8089	H11	SLES	1	0.0162057	-37.0938	-2.68289	HAL2	8088	0	0	0	0.09	
-8090	H11	SLES	1	1.46831	-36.6765	-3.68526	HAL2	8088	0	0	0	0.09	
-8091	C12	SLES	1	-0.285688	-35.3902	-4.04951	CTL3	8088	8092	8093	8094	-0.27	
-8092	H12	SLES	1	-0.961353	-35.0569	-3.23803	HAL3	8091	0	0	0	0.09	
-8093	H12	SLES	1	0.500563	-34.6359	-4.24783	HAL3	8091	0	0	0	0.09	
-8094	H12	SLES	1	-0.906853	-35.4548	-4.97655	HAL3	8091	0	0	0	0.09	
-8095	NA	SLES	1	16.36	-54.74	-11.287	NA	0	0	0	0	1	
-8096	S	SLES	1	13.7538	-53.7659	-12.4842	SL	8097	8098	8099	8100	1.33	
-8097	OS1	SLES	1	14.1688	-52.6961	-11.5609	OSL	8096	8101	0	0	-0.28	
-8098	OS2	SLES	1	13.7776	-54.7377	-11.4138	O2L	8096	0	0	0	-0.65	
-8099	OS3	SLES	1	14.9864	-53.6432	-13.2277	O2L	8096	0	0	0	-0.65	
-8100	OS4	SLES	1	12.5069	-53.3536	-13.0648	O2L	8096	0	0	0	-0.65	
-8101	C2	SLES	1	13.5379	-51.5037	-11.3132	CC32A	8097	8102	8103	8104	-0.11	
-8102	H2A	SLES	1	12.5055	-51.6765	-10.9094	HCA2	8101	0	0	0	0.09	
-8103	H2B	SLES	1	13.4812	-50.8792	-12.244	HCA2	8101	0	0	0	0.09	
-8104	C1	SLES	1	14.4607	-50.8642	-10.2534	CC32A	8101	8105	8106	8107	-0.01	
-8105	H1B	SLES	1	14.5344	-51.513	-9.34241	HCA2	8104	0	0	0	0.09	
-8106	H1A	SLES	1	15.488	-50.7055	-10.664	HCA2	8104	0	0	0	0.09	
-8107	O1	SLES	1	14.127	-49.6142	-9.74313	OC30A	8104	8108	0	0	-0.34	
-8108	C2	SLES	1	12.9399	-49.0005	-10.2111	CC32A	8107	8109	8110	8111	-0.01	
-8109	H2A	SLES	1	12.0464	-49.6512	-9.98832	HCA2	8108	0	0	0	0.09	
-8110	H2B	SLES	1	12.982	-48.8244	-11.3114	HCA2	8108	0	0	0	0.09	
-8111	C1	SLES	1	13.196	-47.8809	-9.13789	CC32A	8108	8112	8113	8114	-0.01	
-8112	H1B	SLES	1	12.2434	-48.1231	-8.64853	HCA2	8111	0	0	0	0.09	
-8113	H1A	SLES	1	13.3165	-47.2557	-10.0955	HCA2	8111	0	0	0	0.09	
-8114	O1	SLES	1	13.3217	-46.6042	-8.56654	OC30A	8111	8115	0	0	-0.34	
-8115	C1	SLES	1	12.2143	-45.7188	-8.65375	CTL2	8114	8116	8117	8118	-0.18	
-8116	H11	SLES	1	11.2123	-46.1518	-8.37843	HAL2	8115	0	0	0	0.09	
-8117	H12	SLES	1	12.1213	-45.3118	-9.69212	HAL2	8115	0	0	0	0.09	
-8118	C2	SLES	1	12.6695	-44.6591	-7.65134	CTL2	8115	8119	8120	8121	-0.18	
-8119	H21	SLES	1	12.7115	-45.0305	-6.59922	HAL2	8118	0	0	0	0.09	
-8120	H22	SLES	1	13.6542	-44.2014	-7.91419	HAL2	8118	0	0	0	0.09	
-8121	C3	SLES	1	11.6193	-43.6289	-7.76074	CTL2	8118	8122	8123	8124	-0.18	
-8122	H31	SLES	1	10.6664	-44.1585	-7.48695	HAL2	8121	0	0	0	0.09	
-8123	H32	SLES	1	11.6353	-43.3124	-8.84026	HAL2	8121	0	0	0	0.09	
-8124	C4	SLES	1	11.672	-42.3777	-6.94531	CTL2	8121	8125	8126	8127	-0.18	
-8125	H41	SLES	1	11.6562	-42.6042	-5.85068	HAL2	8124	0	0	0	0.09	
-8126	H42	SLES	1	12.594	-41.789	-7.16235	HAL2	8124	0	0	0	0.09	
-8127	C5	SLES	1	10.3818	-41.7289	-7.46443	CTL2	8124	8128	8129	8130	-0.18	
-8128	H51	SLES	1	9.50199	-42.4018	-7.2823	HAL2	8127	0	0	0	0.09	
-8129	H52	SLES	1	10.4292	-41.5956	-8.57726	HAL2	8127	0	0	0	0.09	
-8130	C6	SLES	1	10.0214	-40.4199	-6.90757	CTL2	8127	8131	8132	8133	-0.18	
-8131	H61	SLES	1	8.98647	-40.5329	-6.48447	HAL2	8130	0	0	0	0.09	
-8132	H62	SLES	1	9.91633	-39.7242	-7.78292	HAL2	8130	0	0	0	0.09	
-8133	C7	SLES	1	10.9709	-39.8271	-5.85944	CTL2	8130	8134	8135	8136	-0.18	
-8134	H71	SLES	1	11.0552	-40.4357	-4.92822	HAL2	8133	0	0	0	0.09	
-8135	H72	SLES	1	11.9963	-39.6169	-6.24294	HAL2	8133	0	0	0	0.09	
-8136	C8	SLES	1	10.2505	-38.5574	-5.58293	CTL2	8133	8137	8138	8139	-0.18	
-8137	H81	SLES	1	9.22351	-38.8474	-5.22347	HAL2	8136	0	0	0	0.09	
-8138	H82	SLES	1	10.1846	-38.0118	-6.567	HAL2	8136	0	0	0	0.09	
-8139	C9	SLES	1	10.7889	-37.5848	-4.59253	CTL2	8136	8140	8141	8142	-0.18	
-8140	H91	SLES	1	10.8568	-38.0574	-3.58718	HAL2	8139	0	0	0	0.09	
-8141	H92	SLES	1	11.7992	-37.2372	-4.90513	HAL2	8139	0	0	0	0.09	
-8142	C10	SLES	1	9.72356	-36.4935	-4.67553	CTL2	8139	8143	8144	8145	-0.18	
-8143	H10	SLES	1	8.71676	-36.9225	-4.42146	HAL2	8142	0	0	0	0.09	
-8144	H10	SLES	1	9.65257	-36.1086	-5.7292	HAL2	8142	0	0	0	0.09	
-8145	C11	SLES	1	9.95042	-35.3179	-3.78173	CTL2	8142	8146	8147	8148	-0.18	
-8146	H11	SLES	1	9.99852	-35.7006	-2.73568	HAL2	8145	0	0	0	0.09	
-8147	H11	SLES	1	10.9403	-34.882	-4.0511	HAL2	8145	0	0	0	0.09	
-8148	C12	SLES	1	8.81146	-34.3117	-3.96984	CTL3	8145	8149	8150	8151	-0.27	
-8149	H12	SLES	1	8.26556	-34.1739	-3.01639	HAL3	8148	0	0	0	0.09	
-8150	H12	SLES	1	9.21329	-33.3489	-4.34132	HAL3	8148	0	0	0	0.09	
-8151	H12	SLES	1	8.05942	-34.655	-4.72216	HAL3	8148	0	0	0	0.09	
-8152	NA	SLES	1	30.1162	-48.3502	-11.7177	NA	0	0	0	0	1	
-8153	S	SLES	1	27.1505	-48.4822	-12.3189	SL	8154	8155	8156	8157	1.33	
-8154	OS1	SLES	1	27.3294	-47.2247	-11.5734	OSL	8153	8158	0	0	-0.28	
-8155	OS2	SLES	1	27.737	-49.2404	-11.2364	O2L	8153	0	0	0	-0.65	
-8156	OS3	SLES	1	28.08	-48.0465	-13.3355	O2L	8153	0	0	0	-0.65	
-8157	OS4	SLES	1	25.7493	-48.5964	-12.6115	O2L	8153	0	0	0	-0.65	
-8158	C2	SLES	1	26.3755	-46.2954	-11.2452	CC32A	8154	8159	8160	8161	-0.11	
-8159	H2A	SLES	1	25.5781	-46.7542	-10.6028	HCA2	8158	0	0	0	0.09	
-8160	H2B	SLES	1	25.912	-45.8539	-12.167	HCA2	8158	0	0	0	0.09	
-8161	C1	SLES	1	27.1993	-45.2489	-10.4643	CC32A	8158	8162	8163	8164	-0.01	
-8162	H1B	SLES	1	27.683	-45.71	-9.56449	HCA2	8161	0	0	0	0.09	
-8163	H1A	SLES	1	27.9957	-44.806	-11.1114	HCA2	8161	0	0	0	0.09	
-8164	O1	SLES	1	26.5482	-44.1312	-9.9536	OC30A	8161	8165	0	0	-0.34	
-8165	C2	SLES	1	25.1518	-44.0228	-10.1609	CC32A	8164	8166	8167	8168	-0.01	
-8166	H2A	SLES	1	24.6165	-44.9031	-9.70275	HCA2	8165	0	0	0	0.09	
-8167	H2B	SLES	1	24.9055	-43.9875	-11.248	HCA2	8165	0	0	0	0.09	
-8168	C1	SLES	1	25.1981	-42.7532	-9.23513	CC32A	8165	8169	8170	8171	-0.01	
-8169	H1B	SLES	1	24.5157	-43.2384	-8.52484	HCA2	8168	0	0	0	0.09	
-8170	H1A	SLES	1	24.8905	-42.2544	-10.2245	HCA2	8168	0	0	0	0.09	
-8171	O1	SLES	1	24.9683	-41.4469	-8.77397	OC30A	8168	8172	0	0	-0.34	
-8172	C1	SLES	1	23.6233	-41.0089	-8.64392	CTL2	8171	8173	8174	8175	-0.18	
-8173	H11	SLES	1	22.9214	-41.7163	-8.12029	HAL2	8172	0	0	0	0.09	
-8174	H12	SLES	1	23.1834	-40.7962	-9.65077	HAL2	8172	0	0	0	0.09	
-8175	C2	SLES	1	23.8583	-39.7369	-7.83045	CTL2	8172	8176	8177	8178	-0.18	
-8176	H21	SLES	1	24.2417	-39.9319	-6.80011	HAL2	8175	0	0	0	0.09	
-8177	H22	SLES	1	24.5381	-39.0106	-8.33919	HAL2	8175	0	0	0	0.09	
-8178	C3	SLES	1	22.5089	-39.1474	-7.74261	CTL2	8175	8179	8180	8181	-0.18	
-8179	H31	SLES	1	21.8862	-39.9284	-7.22712	HAL2	8178	0	0	0	0.09	
-8180	H32	SLES	1	22.1926	-38.9874	-8.81039	HAL2	8178	0	0	0	0.09	
-8181	C4	SLES	1	22.2708	-37.8578	-7.0261	CTL2	8178	8182	8183	8184	-0.18	
-8182	H41	SLES	1	22.558	-37.9319	-5.94824	HAL2	8181	0	0	0	0.09	
-8183	H42	SLES	1	22.8555	-37.0248	-7.48226	HAL2	8181	0	0	0	0.09	
-8184	C5	SLES	1	20.7574	-37.7583	-7.26071	CTL2	8181	8185	8186	8187	-0.18	
-8185	H51	SLES	1	20.2345	-38.66	-6.84412	HAL2	8184	0	0	0	0.09	
-8186	H52	SLES	1	20.529	-37.7627	-8.35897	HAL2	8184	0	0	0	0.09	
-8187	C6	SLES	1	20.0702	-36.5886	-6.70146	CTL2	8184	8188	8189	8190	-0.18	
-8188	H61	SLES	1	19.2529	-36.9898	-6.04273	HAL2	8187	0	0	0	0.09	
-8189	H62	SLES	1	19.5482	-36.0898	-7.56172	HAL2	8187	0	0	0	0.09	
-8190	C7	SLES	1	20.9328	-35.578	-5.93588	CTL2	8187	8191	8192	8193	-0.18	
-8191	H71	SLES	1	21.4158	-35.9954	-5.02089	HAL2	8190	0	0	0	0.09	
-8192	H72	SLES	1	21.7144	-35.0842	-6.55882	HAL2	8190	0	0	0	0.09	
-8193	C8	SLES	1	19.8753	-34.6034	-5.56259	CTL2	8190	8194	8195	8196	-0.18	
-8194	H81	SLES	1	19.1162	-35.1752	-4.95859	HAL2	8193	0	0	0	0.09	
-8195	H82	SLES	1	19.4211	-34.2453	-6.53001	HAL2	8193	0	0	0	0.09	
-8196	C9	SLES	1	20.2151	-33.3858	-4.77589	CTL2	8193	8197	8198	8199	-0.18	
-8197	H91	SLES	1	20.6491	-33.6724	-3.79192	HAL2	8196	0	0	0	0.09	
-8198	H92	SLES	1	20.9478	-32.76	-5.33336	HAL2	8196	0	0	0	0.09	
-8199	C10	SLES	1	18.8352	-32.7412	-4.66193	CTL2	8196	8200	8201	8202	-0.18	
-8200	H10	SLES	1	18.1233	-33.4493	-4.15801	HAL2	8199	0	0	0	0.09	
-8201	H10	SLES	1	18.4202	-32.5436	-5.68768	HAL2	8199	0	0	0	0.09	
-8202	C11	SLES	1	18.7987	-31.4527	-3.90631	CTL2	8199	8203	8204	8205	-0.18	
-8203	H11	SLES	1	19.1905	-31.6571	-2.88271	HAL2	8202	0	0	0	0.09	
-8204	H11	SLES	1	19.4897	-30.7459	-4.42147	HAL2	8202	0	0	0	0.09	
-8205	C12	SLES	1	17.3612	-30.926	-3.87289	CTL3	8202	8206	8207	8208	-0.27	
-8206	H12	SLES	1	17.0059	-30.8588	-2.82631	HAL3	8205	0	0	0	0.09	
-8207	H12	SLES	1	17.3063	-29.941	-4.37601	HAL3	8205	0	0	0	0.09	
-8208	H12	SLES	1	16.6482	-31.5987	-4.41004	HAL3	8205	0	0	0	0.09	
-8209	NA	SLES	1	41.5632	-38.6671	-12.1987	NA	0	0	0	0	1	
-8210	S	SLES	1	38.7931	-39.8907	-12.1359	SL	8211	8212	8213	8214	1.33	
-8211	OS1	SLES	1	38.6199	-38.5348	-11.5875	OSL	8210	8215	0	0	-0.28	
-8212	OS2	SLES	1	39.7808	-40.2032	-11.1272	O2L	8210	0	0	0	-0.65	
-8213	OS3	SLES	1	39.3245	-39.3564	-13.3686	O2L	8210	0	0	0	-0.65	
-8214	OS4	SLES	1	37.5019	-40.5182	-12.1089	O2L	8210	0	0	0	-0.65	
-8215	C2	SLES	1	37.4595	-37.9367	-11.1669	CC32A	8211	8216	8217	8218	-0.11	
-8216	H2A	SLES	1	36.9977	-38.5145	-10.3232	HCA2	8215	0	0	0	0.09	
-8217	H2B	SLES	1	36.7257	-37.8473	-12.0114	HCA2	8215	0	0	0	0.09	
-8218	C1	SLES	1	37.9604	-36.5535	-10.6985	CC32A	8215	8219	8220	8221	-0.01	
-8219	H1B	SLES	1	38.7165	-36.6581	-9.87766	HCA2	8218	0	0	0	0.09	
-8220	H1A	SLES	1	38.4264	-35.9916	-11.5449	HCA2	8218	0	0	0	0.09	
-8221	O1	SLES	1	37.0387	-35.647	-10.1859	OC30A	8218	8222	0	0	-0.34	
-8222	C2	SLES	1	35.6846	-36.0519	-10.1014	CC32A	8221	8223	8224	8225	-0.01	
-8223	H2A	SLES	1	35.5869	-36.9646	-9.44645	HCA2	8222	0	0	0	0.09	
-8224	H2B	SLES	1	35.2712	-36.2949	-11.1082	HCA2	8222	0	0	0	0.09	
-8225	C1	SLES	1	35.4143	-34.6974	-9.35098	CC32A	8222	8226	8227	8228	-0.01	
-8226	H1B	SLES	1	35.0784	-35.249	-8.46297	HCA2	8225	0	0	0	0.09	
-8227	H1A	SLES	1	34.7918	-34.5148	-10.3005	HCA2	8225	0	0	0	0.09	
-8228	O1	SLES	1	34.8026	-33.484	-8.99682	OC30A	8225	8229	0	0	-0.34	
-8229	C1	SLES	1	33.43	-33.5067	-8.63171	CTL2	8228	8230	8231	8232	-0.18	
-8230	H11	SLES	1	33.1272	-34.3037	-7.89655	HAL2	8229	0	0	0	0.09	
-8231	H12	SLES	1	32.7874	-33.6363	-9.53874	HAL2	8229	0	0	0	0.09	
-8232	C2	SLES	1	33.314	-32.1066	-8.03081	CTL2	8229	8233	8234	8235	-0.18	
-8233	H21	SLES	1	33.9021	-31.9754	-7.09086	HAL2	8232	0	0	0	0.09	
-8234	H22	SLES	1	33.5921	-31.297	-8.74887	HAL2	8232	0	0	0	0.09	
-8235	C3	SLES	1	31.8755	-31.9982	-7.72228	CTL2	8232	8236	8237	8238	-0.18	
-8236	H31	SLES	1	31.6708	-32.838	-7.00386	HAL2	8235	0	0	0	0.09	
-8237	H32	SLES	1	31.3556	-32.1459	-8.70905	HAL2	8235	0	0	0	0.09	
-8238	C4	SLES	1	31.3033	-30.7577	-7.11659	CTL2	8235	8239	8240	8241	-0.18	
-8239	H41	SLES	1	31.7668	-30.5385	-6.1232	HAL2	8238	0	0	0	0.09	
-8240	H42	SLES	1	31.4639	-29.8719	-7.77499	HAL2	8238	0	0	0	0.09	
-8241	C5	SLES	1	29.8407	-31.2149	-7.03273	CTL2	8238	8242	8243	8244	-0.18	
-8242	H51	SLES	1	29.7555	-32.1505	-6.41842	HAL2	8241	0	0	0	0.09	
-8243	H52	SLES	1	29.4563	-31.4906	-8.04988	HAL2	8241	0	0	0	0.09	
-8244	C6	SLES	1	28.8747	-30.2638	-6.47095	CTL2	8241	8245	8246	8247	-0.18	
-8245	H61	SLES	1	28.3763	-30.7921	-5.61342	HAL2	8244	0	0	0	0.09	
-8246	H62	SLES	1	28.0763	-30.1302	-7.24937	HAL2	8244	0	0	0	0.09	
-8247	C7	SLES	1	29.4219	-28.9035	-6.02174	CTL2	8244	8248	8249	8250	-0.18	
-8248	H71	SLES	1	30.1637	-28.9652	-5.19074	HAL2	8247	0	0	0	0.09	
-8249	H72	SLES	1	29.8596	-28.2952	-6.847	HAL2	8247	0	0	0	0.09	
-8250	C8	SLES	1	28.1571	-28.2902	-5.5403	CTL2	8247	8251	8252	8253	-0.18	
-8251	H81	SLES	1	27.7653	-28.9666	-4.72969	HAL2	8250	0	0	0	0.09	
-8252	H82	SLES	1	27.4548	-28.2831	-6.42186	HAL2	8250	0	0	0	0.09	
-8253	C9	SLES	1	28.1527	-26.9101	-4.98175	CTL2	8250	8254	8255	8256	-0.18	
-8254	H91	SLES	1	28.8131	-26.8549	-4.08761	HAL2	8253	0	0	0	0.09	
-8255	H92	SLES	1	28.508	-26.1844	-5.74744	HAL2	8253	0	0	0	0.09	
-8256	C10	SLES	1	26.6704	-26.7562	-4.64739	CTL2	8253	8257	8258	8259	-0.18	
-8257	H10	SLES	1	26.3554	-27.5607	-3.92914	HAL2	8256	0	0	0	0.09	
-8258	H10	SLES	1	26.053	-26.8948	-5.57643	HAL2	8256	0	0	0	0.09	
-8259	C11	SLES	1	26.2899	-25.4422	-4.04658	CTL2	8256	8260	8261	8262	-0.18	
-8260	H11	SLES	1	26.8881	-25.318	-3.11395	HAL2	8259	0	0	0	0.09	
-8261	H11	SLES	1	26.5844	-24.648	-4.77115	HAL2	8259	0	0	0	0.09	
-8262	C12	SLES	1	24.7847	-25.4311	-3.76527	CTL3	8259	8263	8264	8265	-0.27	
-8263	H12	SLES	1	24.6022	-25.3021	-2.68075	HAL3	8262	0	0	0	0.09	
-8264	H12	SLES	1	24.2955	-24.6275	-4.34955	HAL3	8262	0	0	0	0.09	
-8265	H12	SLES	1	24.2887	-26.388	-4.06144	HAL3	8262	0	0	0	0.09	
-8266	NA	SLES	1	49.977	-26.4872	-12.6971	NA	0	0	0	0	1	
-8267	S	SLES	1	47.8657	-28.5257	-11.9478	SL	8268	8269	8270	8271	1.33	
-8268	OS1	SLES	1	47.2725	-27.2227	-11.6022	OSL	8267	8272	0	0	-0.28	
-8269	OS2	SLES	1	49.0032	-28.2663	-11.0936	O2L	8267	0	0	0	-0.65	
-8270	OS3	SLES	1	48.0286	-28.1199	-13.3247	O2L	8267	0	0	0	-0.65	
-8271	OS4	SLES	1	46.9021	-29.5289	-11.5915	O2L	8267	0	0	0	-0.65	
-8272	C2	SLES	1	46.0274	-26.9735	-11.0838	CC32A	8268	8273	8274	8275	-0.11	
-8273	H2A	SLES	1	45.9022	-27.4787	-10.0898	HCA2	8272	0	0	0	0.09	
-8274	H2B	SLES	1	45.2238	-27.3175	-11.7877	HCA2	8272	0	0	0	0.09	
-8275	C1	SLES	1	46.0392	-25.4363	-10.9401	CC32A	8272	8276	8277	8278	-0.01	
-8276	H1B	SLES	1	46.8662	-25.1038	-10.2606	HCA2	8275	0	0	0	0.09	
-8277	H1A	SLES	1	46.1737	-24.9447	-11.9348	HCA2	8275	0	0	0	0.09	
-8278	O1	SLES	1	44.9129	-24.8043	-10.4242	OC30A	8275	8279	0	0	-0.34	
-8279	C2	SLES	1	43.8164	-25.6121	-10.0367	CC32A	8278	8280	8281	8282	-0.01	
-8280	H2A	SLES	1	44.1293	-26.3428	-9.23687	HCA2	8279	0	0	0	0.09	
-8281	H2B	SLES	1	43.4125	-26.1882	-10.9018	HCA2	8279	0	0	0	0.09	
-8282	C1	SLES	1	43.1559	-24.2998	-9.47755	CC32A	8279	8283	8284	8285	-0.01	
-8283	H1B	SLES	1	43.1426	-24.7294	-8.46715	HCA2	8282	0	0	0	0.09	
-8284	H1A	SLES	1	42.41	-24.5433	-10.3182	HCA2	8282	0	0	0	0.09	
-8285	O1	SLES	1	42.1876	-23.316	-9.21989	OC30A	8282	8286	0	0	-0.34	
-8286	C1	SLES	1	40.9658	-23.7194	-8.61797	CTL2	8285	8287	8288	8289	-0.18	
-8287	H11	SLES	1	41.0555	-24.3956	-7.72245	HAL2	8286	0	0	0	0.09	
-8288	H12	SLES	1	40.3193	-24.2472	-9.36368	HAL2	8286	0	0	0	0.09	
-8289	C2	SLES	1	40.4151	-22.3454	-8.23876	CTL2	8286	8290	8291	8292	-0.18	
-8290	H21	SLES	1	41.0141	-21.8275	-7.45165	HAL2	8289	0	0	0	0.09	
-8291	H22	SLES	1	40.2998	-21.6622	-9.11531	HAL2	8289	0	0	0	0.09	
-8292	C3	SLES	1	39.0785	-22.6626	-7.70112	CTL2	8289	8293	8294	8295	-0.18	
-8293	H31	SLES	1	39.2727	-23.3489	-6.83239	HAL2	8292	0	0	0	0.09	
-8294	H32	SLES	1	38.5435	-23.1828	-8.54316	HAL2	8292	0	0	0	0.09	
-8295	C4	SLES	1	38.1643	-21.5871	-7.2106	CTL2	8292	8296	8297	8298	-0.18	
-8296	H41	SLES	1	38.6219	-21.0188	-6.36364	HAL2	8295	0	0	0	0.09	
-8297	H42	SLES	1	37.919	-20.8607	-8.0206	HAL2	8295	0	0	0	0.09	
-8298	C5	SLES	1	36.9865	-22.4793	-6.79603	CTL2	8295	8299	8300	8301	-0.18	
-8299	H51	SLES	1	37.3147	-23.2355	-6.03422	HAL2	8298	0	0	0	0.09	
-8300	H52	SLES	1	36.62	-23.078	-7.67105	HAL2	8298	0	0	0	0.09	
-8301	C6	SLES	1	35.8083	-21.8108	-6.23172	CTL2	8298	8302	8303	8304	-0.18	
-8302	H61	SLES	1	35.6328	-22.2801	-5.22579	HAL2	8301	0	0	0	0.09	
-8303	H62	SLES	1	34.9361	-22.1219	-6.86715	HAL2	8301	0	0	0	0.09	
-8304	C7	SLES	1	35.8692	-20.2833	-6.11117	CTL2	8301	8305	8306	8307	-0.18	
-8305	H71	SLES	1	36.6685	-19.914	-5.42618	HAL2	8304	0	0	0	0.09	
-8306	H72	SLES	1	35.963	-19.7541	-7.08785	HAL2	8304	0	0	0	0.09	
-8307	C8	SLES	1	34.5286	-20.0421	-5.5176	CTL2	8304	8308	8309	8310	-0.18	
-8308	H81	SLES	1	34.5004	-20.6214	-4.55236	HAL2	8307	0	0	0	0.09	
-8309	H82	SLES	1	33.7801	-20.459	-6.24992	HAL2	8307	0	0	0	0.09	
-8310	C9	SLES	1	34.0838	-18.658	-5.1961	CTL2	8307	8311	8312	8313	-0.18	
-8311	H91	SLES	1	34.7724	-18.1954	-4.4541	HAL2	8310	0	0	0	0.09	
-8312	H92	SLES	1	34.0653	-18.0361	-6.11915	HAL2	8310	0	0	0	0.09	
-8313	C10	SLES	1	32.693	-18.9427	-4.6329	CTL2	8310	8314	8315	8316	-0.18	
-8314	H10	SLES	1	32.7723	-19.6335	-3.75043	HAL2	8313	0	0	0	0.09	
-8315	H10	SLES	1	32.0708	-19.4749	-5.40304	HAL2	8313	0	0	0	0.09	
-8316	C11	SLES	1	31.9289	-17.7365	-4.19298	CTL2	8313	8317	8318	8319	-0.18	
-8317	H11	SLES	1	32.539	-17.2232	-3.41365	HAL2	8316	0	0	0	0.09	
-8318	H11	SLES	1	31.8336	-17.0633	-5.07629	HAL2	8316	0	0	0	0.09	
-8319	C12	SLES	1	30.5629	-18.1712	-3.65431	CTL3	8316	8320	8321	8322	-0.27	
-8320	H12	SLES	1	30.4656	-17.8829	-2.58963	HAL3	8319	0	0	0	0.09	
-8321	H12	SLES	1	29.7545	-17.7223	-4.26373	HAL3	8319	0	0	0	0.09	
-8322	H12	SLES	1	30.4195	-19.2788	-3.70013	HAL3	8319	0	0	0	0.09	
-8323	NA	SLES	1	54.901	-12.7311	-13.179	NA	0	0	0	0	1	
-8324	S	SLES	1	53.7049	-15.129	-11.7672	SL	8325	8326	8327	8328	1.33	
-8325	OS1	SLES	1	52.7008	-14.0621	-11.6165	OSL	8324	8329	0	0	-0.28	
-8326	OS2	SLES	1	54.7143	-14.307	-11.1379	O2L	8324	0	0	0	-0.65	
-8327	OS3	SLES	1	53.6414	-15.0263	-13.2068	O2L	8324	0	0	0	-0.65	
-8328	OS4	SLES	1	53.1858	-16.2865	-11.0943	O2L	8324	0	0	0	-0.65	
-8329	C2	SLES	1	51.4771	-14.1359	-11.0015	CC32A	8325	8330	8331	8332	-0.11	
-8330	H2A	SLES	1	51.5922	-14.4061	-9.91854	HCA2	8329	0	0	0	0.09	
-8331	H2B	SLES	1	50.8168	-14.8867	-11.5113	HCA2	8329	0	0	0	0.09	
-8332	C1	SLES	1	50.9424	-12.6977	-11.1725	CC32A	8329	8333	8334	8335	-0.01	
-8333	H1B	SLES	1	51.6275	-11.9551	-10.6871	HCA2	8332	0	0	0	0.09	
-8334	H1A	SLES	1	50.8409	-12.4371	-12.2546	HCA2	8332	0	0	0	0.09	
-8335	O1	SLES	1	49.6916	-12.3831	-10.6523	OC30A	8332	8336	0	0	-0.34	
-8336	C2	SLES	1	48.9801	-13.4002	-9.9711	CC32A	8335	8337	8338	8339	-0.01	
-8337	H2A	SLES	1	49.5746	-13.7727	-9.08831	HCA2	8336	0	0	0	0.09	
-8338	H2B	SLES	1	48.7675	-14.2647	-10.6427	HCA2	8336	0	0	0	0.09	
-8339	C1	SLES	1	47.9207	-12.2977	-9.60622	CC32A	8336	8340	8341	8342	-0.01	
-8340	H1B	SLES	1	48.1136	-12.4571	-8.5371	HCA2	8339	0	0	0	0.09	
-8341	H1A	SLES	1	47.2711	-12.9693	-10.2765	HCA2	8339	0	0	0	0.09	
-8342	O1	SLES	1	46.6776	-11.6694	-9.42798	OC30A	8339	8343	0	0	-0.34	
-8343	C1	SLES	1	45.7145	-12.3104	-8.60364	CTL2	8342	8344	8345	8346	-0.18	
-8344	H11	SLES	1	46.0864	-12.6865	-7.60987	HAL2	8343	0	0	0	0.09	
-8345	H12	SLES	1	45.2646	-13.1851	-9.13751	HAL2	8343	0	0	0	0.09	
-8346	C2	SLES	1	44.7263	-11.1565	-8.44012	CTL2	8343	8347	8348	8349	-0.18	
-8347	H21	SLES	1	45.1376	-10.2972	-7.85791	HAL2	8346	0	0	0	0.09	
-8348	H22	SLES	1	44.3291	-10.7784	-9.41354	HAL2	8346	0	0	0	0.09	
-8349	C3	SLES	1	43.6221	-11.773	-7.68058	CTL2	8346	8350	8351	8352	-0.18	
-8350	H31	SLES	1	44.0936	-12.1291	-6.7244	HAL2	8349	0	0	0	0.09	
-8351	H32	SLES	1	43.2685	-12.6255	-8.324	HAL2	8349	0	0	0	0.09	
-8352	C4	SLES	1	42.4081	-10.9883	-7.30174	CTL2	8349	8353	8354	8355	-0.18	
-8353	H41	SLES	1	42.6725	-10.117	-6.65316	HAL2	8352	0	0	0	0.09	
-8354	H42	SLES	1	41.8776	-10.5993	-8.20234	HAL2	8352	0	0	0	0.09	
-8355	C5	SLES	1	41.6525	-12.1036	-6.56674	CTL2	8352	8356	8357	8358	-0.18	
-8356	H51	SLES	1	42.2686	-12.503	-5.7177	HAL2	8355	0	0	0	0.09	
-8357	H52	SLES	1	41.4824	-12.9783	-7.24829	HAL2	8355	0	0	0	0.09	
-8358	C6	SLES	1	40.3427	-11.762	-6.0001	CTL2	8355	8359	8360	8361	-0.18	
-8359	H61	SLES	1	40.3985	-12.0136	-4.90627	HAL2	8358	0	0	0	0.09	
-8360	H62	SLES	1	39.61	-12.49	-6.44112	HAL2	8358	0	0	0	0.09	
-8361	C7	SLES	1	39.856	-10.3214	-6.19808	CTL2	8358	8362	8363	8364	-0.18	
-8362	H71	SLES	1	40.5023	-9.55345	-5.71117	HAL2	8361	0	0	0	0.09	
-8363	H72	SLES	1	39.7039	-10.036	-7.26493	HAL2	8361	0	0	0	0.09	
-8364	C8	SLES	1	38.55	-10.4173	-5.49601	CTL2	8361	8365	8366	8367	-0.18	
-8365	H81	SLES	1	38.7806	-10.7288	-4.4387	HAL2	8364	0	0	0	0.09	
-8366	H82	SLES	1	37.9657	-11.2224	-6.02591	HAL2	8364	0	0	0	0.09	
-8367	C9	SLES	1	37.6539	-9.23183	-5.40431	CTL2	8364	8368	8369	8370	-0.18	
-8368	H91	SLES	1	38.1663	-8.40309	-4.86642	HAL2	8367	0	0	0	0.09	
-8369	H92	SLES	1	37.3665	-8.88751	-6.42315	HAL2	8367	0	0	0	0.09	
-8370	C10	SLES	1	36.4887	-9.83111	-4.61946	CTL2	8367	8371	8372	8373	-0.18	
-8371	H10	SLES	1	36.8555	-10.227	-3.63408	HAL2	8370	0	0	0	0.09	
-8372	H10	SLES	1	36.0618	-10.7073	-5.17932	HAL2	8370	0	0	0	0.09	
-8373	C11	SLES	1	35.365	-8.88819	-4.33553	CTL2	8370	8374	8375	8376	-0.18	
-8374	H11	SLES	1	35.788	-8.03115	-3.76138	HAL2	8373	0	0	0	0.09	
-8375	H11	SLES	1	34.9897	-8.51394	-5.31611	HAL2	8373	0	0	0	0.09	
-8376	C12	SLES	1	34.2758	-9.62142	-3.54757	CTL3	8373	8377	8378	8379	-0.27	
-8377	H12	SLES	1	34.1349	-9.14256	-2.55916	HAL3	8376	0	0	0	0.09	
-8378	H12	SLES	1	33.3305	-9.62932	-4.12442	HAL3	8376	0	0	0	0.09	
-8379	H12	SLES	1	34.5383	-10.69	-3.35072	HAL3	8376	0	0	0	0.09	
-8380	NA	SLES	1	47.8631	1.64418	-27.3046	NA	0	0	0	0	1	
-8381	S	SLES	1	48.1029	-0.607557	-25.2931	SL	8382	8383	8384	8385	1.33	
-8382	OS1	SLES	1	46.8239	0.0495181	-24.9742	OSL	8381	8386	0	0	-0.28	
-8383	OS2	SLES	1	48.8176	0.637759	-25.1228	O2L	8381	0	0	0	-0.65	
-8384	OS3	SLES	1	47.6607	-0.880562	-26.6411	O2L	8381	0	0	0	-0.65	
-8385	OS4	SLES	1	48.2682	-1.67631	-24.3484	O2L	8381	0	0	0	-0.65	
-8386	C2	SLES	1	45.9184	-0.293442	-24.0028	CC32A	8382	8387	8388	8389	-0.11	
-8387	H2A	SLES	1	46.3878	-0.239842	-22.9851	HCA2	8386	0	0	0	0.09	
-8388	H2B	SLES	1	45.5126	-1.32482	-24.1791	HCA2	8386	0	0	0	0.09	
-8389	C1	SLES	1	44.829	0.785828	-24.1813	CC32A	8386	8390	8391	8392	-0.01	
-8390	H1B	SLES	1	45.2542	1.81251	-24.0347	HCA2	8389	0	0	0	0.09	
-8391	H1A	SLES	1	44.3756	0.728524	-25.2013	HCA2	8389	0	0	0	0.09	
-8392	O1	SLES	1	43.7214	0.763312	-23.3407	OC30A	8389	8393	0	0	-0.34	
-8393	C2	SLES	1	43.6622	-0.242648	-22.346	CC32A	8392	8394	8395	8396	-0.01	
-8394	H2A	SLES	1	44.5486	-0.164001	-21.6536	HCA2	8393	0	0	0	0.09	
-8395	H2B	SLES	1	43.6591	-1.26114	-22.8001	HCA2	8393	0	0	0	0.09	
-8396	C1	SLES	1	42.3714	0.478817	-21.8128	CC32A	8393	8397	8398	8399	-0.01	
-8397	H1B	SLES	1	42.862	0.65649	-20.8467	HCA2	8396	0	0	0	0.09	
-8398	H1A	SLES	1	41.9049	-0.515444	-22.1536	HCA2	8396	0	0	0	0.09	
-8399	O1	SLES	1	41.0631	0.661847	-21.3367	OC30A	8396	8400	0	0	-0.34	
-8400	C1	SLES	1	40.6653	-0.0556061	-20.1769	CTL2	8399	8401	8402	8403	-0.18	
-8401	H11	SLES	1	41.3828	-0.0306716	-19.3099	HAL2	8400	0	0	0	0.09	
-8402	H12	SLES	1	40.4893	-1.13244	-20.4259	HAL2	8400	0	0	0	0.09	
-8403	C2	SLES	1	39.3685	0.688909	-19.8621	CTL2	8400	8404	8405	8406	-0.18	
-8404	H21	SLES	1	39.5281	1.75006	-19.5537	HAL2	8403	0	0	0	0.09	
-8405	H22	SLES	1	38.6326	0.661981	-20.7023	HAL2	8403	0	0	0	0.09	
-8406	C3	SLES	1	38.8205	-0.0705721	-18.7223	CTL2	8403	8407	8408	8409	-0.18	
-8407	H31	SLES	1	39.6092	-0.00200562	-17.9244	HAL2	8406	0	0	0	0.09	
-8408	H32	SLES	1	38.6946	-1.1202	-19.1073	HAL2	8406	0	0	0	0.09	
-8409	C4	SLES	1	37.5235	0.312422	-18.0867	CTL2	8406	8410	8411	8412	-0.18	
-8410	H41	SLES	1	37.5642	1.34952	-17.6713	HAL2	8409	0	0	0	0.09	
-8411	H42	SLES	1	36.6827	0.266707	-18.818	HAL2	8409	0	0	0	0.09	
-8412	C5	SLES	1	37.4775	-0.785032	-17.015	CTL2	8409	8413	8414	8415	-0.18	
-8413	H51	SLES	1	38.3858	-0.731426	-16.3576	HAL2	8412	0	0	0	0.09	
-8414	H52	SLES	1	37.5137	-1.8004	-17.4905	HAL2	8412	0	0	0	0.09	
-8415	C6	SLES	1	36.318	-0.792326	-16.1156	CTL2	8412	8416	8417	8418	-0.18	
-8416	H61	SLES	1	36.7302	-0.739757	-15.0715	HAL2	8415	0	0	0	0.09	
-8417	H62	SLES	1	35.8555	-1.81162	-16.2075	HAL2	8415	0	0	0	0.09	
-8418	C7	SLES	1	35.2636	0.29928	-16.3348	CTL2	8415	8419	8420	8421	-0.18	
-8419	H71	SLES	1	35.6447	1.33595	-16.1779	HAL2	8418	0	0	0	0.09	
-8420	H72	SLES	1	34.7592	0.250531	-17.3278	HAL2	8418	0	0	0	0.09	
-8421	C8	SLES	1	34.315	-0.0712677	-15.253	CTL2	8418	8422	8423	8424	-0.18	
-8422	H81	SLES	1	34.897	-0.0213796	-14.2902	HAL2	8421	0	0	0	0.09	
-8423	H82	SLES	1	33.9934	-1.13052	-15.465	HAL2	8421	0	0	0	0.09	
-8424	C9	SLES	1	33.0699	0.716524	-15.0386	CTL2	8421	8425	8426	8427	-0.18	
-8425	H91	SLES	1	33.3205	1.77424	-14.7995	HAL2	8424	0	0	0	0.09	
-8426	H92	SLES	1	32.4338	0.685989	-15.9516	HAL2	8424	0	0	0	0.09	
-8427	C10	SLES	1	32.4672	-0.0423176	-13.8581	CTL2	8424	8428	8429	8430	-0.18	
-8428	H10	SLES	1	33.1862	-0.0391775	-12.9948	HAL2	8427	0	0	0	0.09	
-8429	H10	SLES	1	32.3059	-1.11881	-14.1385	HAL2	8427	0	0	0	0.09	
-8430	C11	SLES	1	31.1639	0.492708	-13.3604	CTL2	8427	8431	8432	8433	-0.18	
-8431	H11	SLES	1	31.3327	1.55386	-13.0629	HAL2	8430	0	0	0	0.09	
-8432	H11	SLES	1	30.4472	0.468091	-14.2137	HAL2	8430	0	0	0	0.09	
-8433	C12	SLES	1	30.6827	-0.360704	-12.1835	CTL3	8430	8434	8435	8436	-0.27	
-8434	H12	SLES	1	30.6033	0.261463	-11.271	HAL3	8433	0	0	0	0.09	
-8435	H12	SLES	1	29.7114	-0.832578	-12.4293	HAL3	8433	0	0	0	0.09	
-8436	H12	SLES	1	31.3896	-1.19245	-11.943	HAL3	8433	0	0	0	0.09	
-8437	NA	SLES	1	44.8982	15.8257	-27.6591	NA	0	0	0	0	1	
-8438	S	SLES	1	45.9752	14.4899	-25.1631	SL	8439	8440	8441	8442	1.33	
-8439	OS1	SLES	1	44.5132	14.5011	-24.9849	OSL	8438	8443	0	0	-0.28	
-8440	OS2	SLES	1	45.9955	15.9271	-25.3203	O2L	8438	0	0	0	-0.65	
-8441	OS3	SLES	1	45.8494	13.7411	-26.3923	O2L	8438	0	0	0	-0.65	
-8442	OS4	SLES	1	46.5324	13.8784	-23.9895	O2L	8438	0	0	0	-0.65	
-8443	C2	SLES	1	43.787	13.9935	-23.938	CC32A	8439	8444	8445	8446	-0.11	
-8444	H2A	SLES	1	44.0727	14.4952	-22.9758	HCA2	8443	0	0	0	0.09	
-8445	H2B	SLES	1	43.9366	12.885	-23.8464	HCA2	8443	0	0	0	0.09	
-8446	C1	SLES	1	42.3403	14.3412	-24.3499	CC32A	8443	8447	8448	8449	-0.01	
-8447	H1B	SLES	1	42.2128	15.4484	-24.4695	HCA2	8446	0	0	0	0.09	
-8448	H1A	SLES	1	42.0705	13.8437	-25.3137	HCA2	8446	0	0	0	0.09	
-8449	O1	SLES	1	41.2984	13.9778	-23.5034	OC30A	8446	8450	0	0	-0.34	
-8450	C2	SLES	1	41.6245	13.3225	-22.2913	CC32A	8449	8451	8452	8453	-0.01	
-8451	H2A	SLES	1	42.2955	13.973	-21.6605	HCA2	8450	0	0	0	0.09	
-8452	H2B	SLES	1	42.1479	12.3564	-22.4817	HCA2	8450	0	0	0	0.09	
-8453	C1	SLES	1	40.1007	13.431	-21.9209	CC32A	8450	8454	8455	8456	-0.01	
-8454	H1B	SLES	1	40.3514	14.0362	-21.0398	HCA2	8453	0	0	0	0.09	
-8455	H1A	SLES	1	40.1957	12.2874	-21.9965	HCA2	8453	0	0	0	0.09	
-8456	O1	SLES	1	38.8217	13.0624	-21.4734	OC30A	8453	8457	0	0	-0.34	
-8457	C1	SLES	1	38.6986	12.5252	-20.1641	CTL2	8456	8458	8459	8460	-0.18	
-8458	H11	SLES	1	39.23	13.0882	-19.3469	HAL2	8457	0	0	0	0.09	
-8459	H12	SLES	1	39.0782	11.4727	-20.1372	HAL2	8457	0	0	0	0.09	
-8460	C2	SLES	1	37.1802	12.601	-20.0109	CTL2	8457	8461	8462	8463	-0.18	
-8461	H21	SLES	1	36.7879	13.6458	-19.9758	HAL2	8460	0	0	0	0.09	
-8462	H22	SLES	1	36.631	12.0335	-20.8012	HAL2	8460	0	0	0	0.09	
-8463	C3	SLES	1	36.9474	11.9513	-18.707	CTL2	8460	8464	8465	8466	-0.18	
-8464	H31	SLES	1	37.5272	12.57	-17.9692	HAL2	8463	0	0	0	0.09	
-8465	H32	SLES	1	37.3713	10.9153	-18.8199	HAL2	8463	0	0	0	0.09	
-8466	C4	SLES	1	35.5681	11.7934	-18.1542	CTL2	8463	8467	8468	8469	-0.18	
-8467	H41	SLES	1	35.0726	12.7847	-18.0069	HAL2	8466	0	0	0	0.09	
-8468	H42	SLES	1	34.9253	11.184	-18.832	HAL2	8466	0	0	0	0.09	
-8469	C5	SLES	1	35.9414	11.0845	-16.8454	CTL2	8466	8470	8471	8472	-0.18	
-8470	H51	SLES	1	36.6469	11.7164	-16.2429	HAL2	8469	0	0	0	0.09	
-8471	H52	SLES	1	36.4999	10.1352	-17.0582	HAL2	8469	0	0	0	0.09	
-8472	C6	SLES	1	34.8412	10.7222	-15.9445	CTL2	8469	8473	8474	8475	-0.18	
-8473	H61	SLES	1	35.0747	11.2013	-14.9552	HAL2	8472	0	0	0	0.09	
-8474	H62	SLES	1	34.9271	9.61563	-15.7727	HAL2	8472	0	0	0	0.09	
-8475	C7	SLES	1	33.4233	11.088	-16.3997	CTL2	8472	8476	8477	8478	-0.18	
-8476	H71	SLES	1	33.2515	12.1847	-16.5107	HAL2	8475	0	0	0	0.09	
-8477	H72	SLES	1	33.1022	10.5792	-17.3382	HAL2	8475	0	0	0	0.09	
-8478	C8	SLES	1	32.6616	10.5612	-15.2379	CTL2	8475	8479	8480	8481	-0.18	
-8479	H81	SLES	1	33.0531	11.1016	-14.3308	HAL2	8478	0	0	0	0.09	
-8480	H82	SLES	1	32.9015	9.46163	-15.1761	HAL2	8478	0	0	0	0.09	
-8481	C9	SLES	1	31.1777	10.6758	-15.1938	CTL2	8478	8482	8483	8484	-0.18	
-8482	H91	SLES	1	30.8736	11.7459	-15.2274	HAL2	8481	0	0	0	0.09	
-8483	H92	SLES	1	30.7248	10.137	-16.0562	HAL2	8481	0	0	0	0.09	
-8484	C10	SLES	1	30.8928	10.0095	-13.8494	CTL2	8481	8485	8486	8487	-0.18	
-8485	H10	SLES	1	31.4361	10.5539	-13.0305	HAL2	8484	0	0	0	0.09	
-8486	H10	SLES	1	31.288	8.95725	-13.8534	HAL2	8484	0	0	0	0.09	
-8487	C11	SLES	1	29.4497	9.94613	-13.4674	CTL2	8484	8488	8489	8490	-0.18	
-8488	H11	SLES	1	29.0665	10.9929	-13.4432	HAL2	8487	0	0	0	0.09	
-8489	H11	SLES	1	28.9175	9.38687	-14.2715	HAL2	8487	0	0	0	0.09	
-8490	C12	SLES	1	29.3161	9.25751	-12.1062	CTL3	8487	8491	8492	8493	-0.27	
-8491	H12	SLES	1	28.8628	9.95193	-11.3724	HAL3	8490	0	0	0	0.09	
-8492	H12	SLES	1	28.7128	8.33415	-12.2057	HAL3	8490	0	0	0	0.09	
-8493	H12	SLES	1	30.3048	8.94883	-11.6859	HAL3	8490	0	0	0	0.09	
-8494	NA	SLES	1	38.0145	28.3538	-27.8817	NA	0	0	0	0	1	
-8495	S	SLES	1	39.1655	28.2038	-25.084	SL	8496	8497	8498	8499	1.33	
-8496	OS1	SLES	1	37.8591	27.5299	-24.9919	OSL	8495	8500	0	0	-0.28	
-8497	OS2	SLES	1	38.5404	29.4093	-25.5808	O2L	8495	0	0	0	-0.65	
-8498	OS3	SLES	1	39.605	27.2775	-26.1019	O2L	8495	0	0	0	-0.65	
-8499	OS4	SLES	1	39.7432	28.1724	-23.7698	O2L	8495	0	0	0	-0.65	
-8500	C2	SLES	1	37.2925	26.9347	-23.8938	CC32A	8496	8501	8502	8503	-0.11	
-8501	H2A	SLES	1	37.1507	27.6795	-23.0667	HCA2	8500	0	0	0	0.09	
-8502	H2B	SLES	1	37.9233	26.0804	-23.5305	HCA2	8500	0	0	0	0.09	
-8503	C1	SLES	1	35.9392	26.446	-24.4537	CC32A	8500	8504	8505	8506	-0.01	
-8504	H1B	SLES	1	35.3329	27.3047	-24.8426	HCA2	8503	0	0	0	0.09	
-8505	H1A	SLES	1	36.0933	25.7121	-25.2825	HCA2	8503	0	0	0	0.09	
-8506	O1	SLES	1	35.0636	25.7819	-23.6014	OC30A	8503	8507	0	0	-0.34	
-8507	C2	SLES	1	35.4543	25.607	-22.2517	CC32A	8506	8508	8509	8510	-0.01	
-8508	H2A	SLES	1	35.6326	26.6064	-21.761	HCA2	8507	0	0	0	0.09	
-8509	H2B	SLES	1	36.3901	25.0053	-22.176	HCA2	8507	0	0	0	0.09	
-8510	C1	SLES	1	34.0175	25.021	-22	CC32A	8507	8511	8512	8513	-0.01	
-8511	H1B	SLES	1	33.8104	25.822	-21.2782	HCA2	8510	0	0	0	0.09	
-8512	H1A	SLES	1	34.6444	24.0794	-21.7932	HCA2	8510	0	0	0	0.09	
-8513	O1	SLES	1	33.0031	24.1628	-21.5458	OC30A	8510	8514	0	0	-0.34	
-8514	C1	SLES	1	32.9322	23.8863	-20.1542	CTL2	8513	8515	8516	8517	-0.18	
-8515	H11	SLES	1	32.9992	24.7772	-19.4692	HAL2	8514	0	0	0	0.09	
-8516	H12	SLES	1	33.7475	23.1806	-19.8548	HAL2	8514	0	0	0	0.09	
-8517	C2	SLES	1	31.5507	23.2351	-20.1048	CTL2	8514	8518	8519	8520	-0.18	
-8518	H21	SLES	1	30.7177	23.9395	-20.343	HAL2	8517	0	0	0	0.09	
-8519	H22	SLES	1	31.4658	22.3367	-20.7636	HAL2	8517	0	0	0	0.09	
-8520	C3	SLES	1	31.4375	22.808	-18.6973	CTL2	8517	8521	8522	8523	-0.18	
-8521	H31	SLES	1	31.5339	23.7553	-18.1	HAL2	8520	0	0	0	0.09	
-8522	H32	SLES	1	32.3066	22.1122	-18.535	HAL2	8520	0	0	0	0.09	
-8523	C4	SLES	1	30.2206	22.0996	-18.197	CTL2	8520	8524	8525	8526	-0.18	
-8524	H41	SLES	1	29.3044	22.7284	-18.319	HAL2	8523	0	0	0	0.09	
-8525	H42	SLES	1	30.0554	21.1404	-18.7416	HAL2	8523	0	0	0	0.09	
-8526	C5	SLES	1	30.6616	21.9199	-16.7381	CTL2	8523	8527	8528	8529	-0.18	
-8527	H51	SLES	1	30.8831	22.9151	-16.2686	HAL2	8526	0	0	0	0.09	
-8528	H52	SLES	1	31.6238	21.3455	-16.6864	HAL2	8526	0	0	0	0.09	
-8529	C6	SLES	1	29.7257	21.2383	-15.8365	CTL2	8526	8530	8531	8532	-0.18	
-8530	H61	SLES	1	29.5446	21.9434	-14.9804	HAL2	8529	0	0	0	0.09	
-8531	H62	SLES	1	30.2871	20.3693	-15.3994	HAL2	8529	0	0	0	0.09	
-8532	C7	SLES	1	28.3962	20.7711	-16.4412	CTL2	8529	8533	8534	8535	-0.18	
-8533	H71	SLES	1	27.7548	21.6008	-16.8217	HAL2	8532	0	0	0	0.09	
-8534	H72	SLES	1	28.5067	20.0072	-17.2456	HAL2	8532	0	0	0	0.09	
-8535	C8	SLES	1	27.7888	20.1634	-15.2291	CTL2	8532	8536	8537	8538	-0.18	
-8536	H81	SLES	1	27.73	20.9829	-14.459	HAL2	8535	0	0	0	0.09	
-8537	H82	SLES	1	28.4989	19.3556	-14.892	HAL2	8535	0	0	0	0.09	
-8538	C9	SLES	1	26.4372	19.5421	-15.293	CTL2	8535	8539	8540	8541	-0.18	
-8539	H91	SLES	1	25.6804	20.2985	-15.599	HAL2	8538	0	0	0	0.09	
-8540	H92	SLES	1	26.4345	18.7019	-16.0233	HAL2	8538	0	0	0	0.09	
-8541	C10	SLES	1	26.2798	19.0827	-13.845	CTL2	8538	8542	8543	8544	-0.18	
-8542	H10	SLES	1	26.3656	19.9638	-13.1532	HAL2	8541	0	0	0	0.09	
-8543	H10	SLES	1	27.1137	18.3791	-13.5748	HAL2	8541	0	0	0	0.09	
-8544	C11	SLES	1	24.9913	18.392	-13.5364	CTL2	8541	8545	8546	8547	-0.18	
-8545	H11	SLES	1	24.1671	19.1005	-13.785	HAL2	8544	0	0	0	0.09	
-8546	H11	SLES	1	24.9196	17.5064	-14.2095	HAL2	8544	0	0	0	0.09	
-8547	C12	SLES	1	24.9732	17.9909	-12.0586	CTL3	8544	8548	8549	8550	-0.27	
-8548	H12	SLES	1	24.136	18.4958	-11.5386	HAL3	8547	0	0	0	0.09	
-8549	H12	SLES	1	24.894	16.8903	-11.9652	HAL3	8547	0	0	0	0.09	
-8550	H12	SLES	1	25.9084	18.2899	-11.5244	HAL3	8547	0	0	0	0.09	
-8551	NA	SLES	1	27.8794	38.2938	-27.9505	NA	0	0	0	0	1	
-8552	S	SLES	1	28.346	39.0818	-25.0633	SL	8553	8554	8555	8556	1.33	
-8553	OS1	SLES	1	27.5131	37.869	-24.9943	OSL	8552	8557	0	0	-0.28	
-8554	OS2	SLES	1	27.3561	39.7494	-25.8788	O2L	8552	0	0	0	-0.65	
-8555	OS3	SLES	1	29.3685	38.3736	-25.7984	O2L	8552	0	0	0	-0.65	
-8556	OS4	SLES	1	28.579	39.5037	-23.7107	O2L	8552	0	0	0	-0.65	
-8557	C2	SLES	1	27.0672	37.2144	-23.8745	CC32A	8553	8558	8559	8560	-0.11	
-8558	H2A	SLES	1	26.4254	37.8892	-23.2487	HCA2	8557	0	0	0	0.09	
-8559	H2B	SLES	1	27.9281	36.8352	-23.2624	HCA2	8557	0	0	0	0.09	
-8560	C1	SLES	1	26.2468	36.0566	-24.4826	CC32A	8557	8561	8562	8563	-0.01	
-8561	H1B	SLES	1	25.4104	36.4484	-25.1176	HCA2	8560	0	0	0	0.09	
-8562	H1A	SLES	1	26.8944	35.397	-25.1109	HCA2	8560	0	0	0	0.09	
-8563	O1	SLES	1	25.6188	35.1597	-23.6251	OC30A	8560	8564	0	0	-0.34	
-8564	C2	SLES	1	25.7496	35.3703	-22.231	CC32A	8563	8565	8566	8567	-0.01	
-8565	H2A	SLES	1	25.3371	36.38	-21.9452	HCA2	8564	0	0	0	0.09	
-8566	H2B	SLES	1	26.8174	35.323	-21.913	HCA2	8564	0	0	0	0.09	
-8567	C1	SLES	1	24.7299	34.189	-22.0423	CC32A	8564	8568	8569	8570	-0.01	
-8568	H1B	SLES	1	24.0281	34.8667	-21.5385	HCA2	8567	0	0	0	0.09	
-8569	H1A	SLES	1	25.661	33.7131	-21.5636	HCA2	8567	0	0	0	0.09	
-8570	O1	SLES	1	24.1567	33.0067	-21.5467	OC30A	8567	8571	0	0	-0.34	
-8571	C1	SLES	1	23.9281	32.9076	-20.1482	CTL2	8570	8572	8573	8574	-0.18	
-8572	H11	SLES	1	23.4287	33.7933	-19.6649	HAL2	8571	0	0	0	0.09	
-8573	H12	SLES	1	24.8927	32.7393	-19.6063	HAL2	8571	0	0	0	0.09	
-8574	C2	SLES	1	23.0291	31.672	-20.1347	CTL2	8571	8575	8576	8577	-0.18	
-8575	H21	SLES	1	22.0369	31.8381	-20.6191	HAL2	8574	0	0	0	0.09	
-8576	H22	SLES	1	23.511	30.7743	-20.5931	HAL2	8574	0	0	0	0.09	
-8577	C3	SLES	1	22.8303	31.4244	-18.6941	CTL2	8574	8578	8579	8580	-0.18	
-8578	H31	SLES	1	22.3487	32.3622	-18.3042	HAL2	8577	0	0	0	0.09	
-8579	H32	SLES	1	23.8657	31.274	-18.2804	HAL2	8577	0	0	0	0.09	
-8580	C4	SLES	1	22.0037	30.277	-18.2109	CTL2	8577	8581	8582	8583	-0.18	
-8581	H41	SLES	1	20.9501	30.3516	-18.5771	HAL2	8580	0	0	0	0.09	
-8582	H42	SLES	1	22.4204	29.3016	-18.5558	HAL2	8580	0	0	0	0.09	
-8583	C5	SLES	1	22.1568	30.522	-16.7037	CTL2	8580	8584	8585	8586	-0.18	
-8584	H51	SLES	1	21.788	31.5468	-16.4322	HAL2	8583	0	0	0	0.09	
-8585	H52	SLES	1	23.2398	30.5083	-16.4114	HAL2	8583	0	0	0	0.09	
-8586	C6	SLES	1	21.4747	29.5865	-15.8022	CTL2	8583	8587	8588	8589	-0.18	
-8587	H61	SLES	1	20.8112	30.2113	-15.1448	HAL2	8586	0	0	0	0.09	
-8588	H62	SLES	1	22.2669	29.1697	-15.1239	HAL2	8586	0	0	0	0.09	
-8589	C7	SLES	1	20.6742	28.4533	-16.4553	CTL2	8586	8590	8591	8592	-0.18	
-8590	H71	SLES	1	19.8192	28.8039	-17.0803	HAL2	8589	0	0	0	0.09	
-8591	H72	SLES	1	21.293	27.7495	-17.0589	HAL2	8589	0	0	0	0.09	
-8592	C8	SLES	1	20.1748	27.782	-15.2274	CTL2	8589	8593	8594	8595	-0.18	
-8593	H81	SLES	1	19.582	28.555	-14.6623	HAL2	8592	0	0	0	0.09	
-8594	H82	SLES	1	21.0881	27.4787	-14.6405	HAL2	8592	0	0	0	0.09	
-8595	C9	SLES	1	19.3118	26.5728	-15.3264	CTL2	8592	8596	8597	8598	-0.18	
-8596	H91	SLES	1	18.3755	26.8128	-15.8782	HAL2	8595	0	0	0	0.09	
-8597	H92	SLES	1	19.8527	25.7568	-15.8563	HAL2	8595	0	0	0	0.09	
-8598	C10	SLES	1	19.0812	26.2806	-13.8452	CTL2	8595	8599	8600	8601	-0.18	
-8599	H10	SLES	1	18.6011	27.168	-13.351	HAL2	8598	0	0	0	0.09	
-8600	H10	SLES	1	20.0671	26.1198	-13.3298	HAL2	8598	0	0	0	0.09	
-8601	C11	SLES	1	18.2255	25.0893	-13.5605	CTL2	8598	8602	8603	8604	-0.18	
-8602	H11	SLES	1	17.2412	25.262	-14.0549	HAL2	8601	0	0	0	0.09	
-8603	H11	SLES	1	18.7159	24.2074	-14.034	HAL2	8601	0	0	0	0.09	
-8604	C12	SLES	1	18.0816	24.9198	-12.0455	CTL3	8601	8605	8606	8607	-0.27	
-8605	H12	SLES	1	17.0172	25.0068	-11.7532	HAL3	8604	0	0	0	0.09	
-8606	H12	SLES	1	18.5023	23.9447	-11.7312	HAL3	8604	0	0	0	0.09	
-8607	H12	SLES	1	18.6353	25.705	-11.4742	HAL3	8604	0	0	0	0.09	
-8608	NA	SLES	1	15.3082	44.9051	-27.8589	NA	0	0	0	0	1	
-8609	S	SLES	1	14.645	45.9731	-25.1032	SL	8610	8611	8612	8613	1.33	
-8610	OS1	SLES	1	14.4829	44.5134	-24.992	OSL	8609	8614	0	0	-0.28	
-8611	OS2	SLES	1	13.6872	46.0255	-26.1852	O2L	8609	0	0	0	-0.65	
-8612	OS3	SLES	1	16.0223	45.8189	-25.5114	O2L	8609	0	0	0	-0.65	
-8613	OS4	SLES	1	14.322	46.5264	-23.8182	O2L	8609	0	0	0	-0.65	
-8614	C2	SLES	1	14.1382	43.7851	-23.8821	CC32A	8610	8615	8616	8617	-0.11	
-8615	H2A	SLES	1	13.127	44.0911	-23.5041	HCA2	8614	0	0	0	0.09	
-8616	H2B	SLES	1	14.9007	43.9096	-23.0681	HCA2	8614	0	0	0	0.09	
-8617	C1	SLES	1	14.1239	42.3432	-24.4338	CC32A	8614	8618	8619	8620	-0.01	
-8618	H1B	SLES	1	13.3817	42.2404	-25.2675	HCA2	8617	0	0	0	0.09	
-8619	H1A	SLES	1	15.1335	42.0532	-24.8156	HCA2	8617	0	0	0	0.09	
-8620	O1	SLES	1	13.7998	41.3008	-23.5721	OC30A	8617	8621	0	0	-0.34	
-8621	C2	SLES	1	13.4781	41.6224	-22.2313	CC32A	8620	8622	8623	8624	-0.01	
-8622	H2A	SLES	1	12.5883	42.3141	-22.1952	HCA2	8621	0	0	0	0.09	
-8623	H2B	SLES	1	14.3333	42.1215	-21.7184	HCA2	8621	0	0	0	0.09	
-8624	C1	SLES	1	13.1134	40.1049	-22.0436	CC32A	8621	8625	8626	8627	-0.01	
-8625	H1B	SLES	1	12.0791	40.3776	-21.7954	HCA2	8624	0	0	0	0.09	
-8626	H1A	SLES	1	14.0128	40.1726	-21.3303	HCA2	8624	0	0	0	0.09	
-8627	O1	SLES	1	13.0557	38.8218	-21.476	OC30A	8624	8628	0	0	-0.34	
-8628	C1	SLES	1	12.5707	38.698	-20.1466	CTL2	8627	8629	8630	8631	-0.18	
-8629	H11	SLES	1	11.6172	39.2497	-19.9149	HAL2	8628	0	0	0	0.09	
-8630	H12	SLES	1	13.3406	39.0531	-19.416	HAL2	8628	0	0	0	0.09	
-8631	C2	SLES	1	12.3762	37.1832	-20.0977	CTL2	8628	8632	8633	8634	-0.18	
-8632	H21	SLES	1	11.5702	36.8157	-20.7773	HAL2	8631	0	0	0	0.09	
-8633	H22	SLES	1	13.3146	36.6138	-20.3065	HAL2	8631	0	0	0	0.09	
-8634	C3	SLES	1	11.9756	36.9471	-18.6976	CTL2	8631	8635	8636	8637	-0.18	
-8635	H31	SLES	1	11.0354	37.5478	-18.5617	HAL2	8634	0	0	0	0.09	
-8636	H32	SLES	1	12.8283	37.3457	-18.0812	HAL2	8634	0	0	0	0.09	
-8637	C4	SLES	1	11.6889	35.5695	-18.1946	CTL2	8634	8638	8639	8640	-0.18	
-8638	H41	SLES	1	10.8446	35.0986	-18.756	HAL2	8637	0	0	0	0.09	
-8639	H42	SLES	1	12.5804	34.9066	-18.2928	HAL2	8637	0	0	0	0.09	
-8640	C5	SLES	1	11.3429	35.938	-16.7456	CTL2	8637	8641	8642	8643	-0.18	
-8641	H51	SLES	1	10.4868	36.6634	-16.7177	HAL2	8640	0	0	0	0.09	
-8642	H52	SLES	1	12.2017	36.4723	-16.2603	HAL2	8640	0	0	0	0.09	
-8643	C6	SLES	1	10.9801	34.8378	-15.8449	CTL2	8640	8644	8645	8646	-0.18	
-8644	H61	SLES	1	9.96615	35.0913	-15.4321	HAL2	8643	0	0	0	0.09	
-8645	H62	SLES	1	11.6858	34.8994	-14.9734	HAL2	8643	0	0	0	0.09	
-8646	C7	SLES	1	10.9822	33.4247	-16.4405	CTL2	8643	8647	8648	8649	-0.18	
-8647	H71	SLES	1	10.241	33.2775	-17.2613	HAL2	8646	0	0	0	0.09	
-8648	H72	SLES	1	11.9819	33.0834	-16.7966	HAL2	8646	0	0	0	0.09	
-8649	C8	SLES	1	10.5737	32.6614	-15.233	CTL2	8646	8650	8651	8652	-0.18	
-8650	H81	SLES	1	9.57328	33.0735	-14.9209	HAL2	8649	0	0	0	0.09	
-8651	H82	SLES	1	11.3517	32.8762	-14.4463	HAL2	8649	0	0	0	0.09	
-8652	C9	SLES	1	10.4246	31.1811	-15.2908	CTL2	8649	8653	8654	8655	-0.18	
-8653	H91	SLES	1	9.648	30.9017	-16.0374	HAL2	8652	0	0	0	0.09	
-8654	H92	SLES	1	11.3924	30.708	-15.5714	HAL2	8652	0	0	0	0.09	
-8655	C10	SLES	1	10.0079	30.8928	-13.85	CTL2	8652	8656	8657	8658	-0.18	
-8656	H10	SLES	1	9.06729	31.456	-13.6045	HAL2	8655	0	0	0	0.09	
-8657	H10	SLES	1	10.7987	31.2634	-13.1424	HAL2	8655	0	0	0	0.09	
-8658	C11	SLES	1	9.76448	29.4521	-13.5375	CTL2	8655	8659	8660	8661	-0.18	
-8659	H11	SLES	1	8.96444	29.0937	-14.2264	HAL2	8658	0	0	0	0.09	
-8660	H11	SLES	1	10.7063	28.8998	-13.762	HAL2	8658	0	0	0	0.09	
-8661	C12	SLES	1	9.35647	29.3148	-12.068	CTL3	8658	8662	8663	8664	-0.27	
-8662	H12	SLES	1	8.33882	28.8844	-11.9953	HAL3	8661	0	0	0	0.09	
-8663	H12	SLES	1	10.0928	28.6893	-11.5267	HAL3	8661	0	0	0	0.09	
-8664	H12	SLES	1	9.32558	30.2998	-11.5404	HAL3	8661	0	0	0	0.09	
-8665	NA	SLES	1	1.2519	47.6243	-27.6158	NA	0	0	0	0	1	
-8666	S	SLES	1	-0.48998	48.1745	-25.1998	SL	8667	8668	8669	8670	1.33	
-8667	OS1	SLES	1	0.0356554	46.8155	-24.9852	OSL	8666	8671	0	0	-0.28	
-8668	OS2	SLES	1	-1.06018	47.784	-26.4698	O2L	8666	0	0	0	-0.65	
-8669	OS3	SLES	1	0.848698	48.7134	-25.2692	O2L	8666	0	0	0	-0.65	
-8670	OS4	SLES	1	-1.34	48.4729	-24.0816	O2L	8666	0	0	0	-0.65	
-8671	C2	SLES	1	-0.183811	45.9852	-23.9158	CC32A	8667	8672	8673	8674	-0.11	
-8672	H2A	SLES	1	-1.27696	45.7565	-23.8079	HCA2	8671	0	0	0	0.09	
-8673	H2B	SLES	1	0.203164	46.4428	-22.9669	HCA2	8671	0	0	0	0.09	
-8674	C1	SLES	1	0.621073	44.7287	-24.3121	CC32A	8671	8675	8676	8677	-0.01	
-8675	H1B	SLES	1	0.245908	44.3005	-25.2776	HCA2	8674	0	0	0	0.09	
-8676	H1A	SLES	1	1.7063	44.9708	-24.4256	HCA2	8674	0	0	0	0.09	
-8677	O1	SLES	1	0.6284	43.6392	-23.4477	OC30A	8674	8678	0	0	-0.34	
-8678	C2	SLES	1	-0.124691	43.734	-22.2524	CC32A	8677	8679	8680	8681	-0.01	
-8679	H2A	SLES	1	-1.21367	43.9096	-22.4863	HCA2	8678	0	0	0	0.09	
-8680	H2B	SLES	1	0.23748	44.5714	-21.6112	HCA2	8678	0	0	0	0.09	
-8681	C1	SLES	1	0.238069	42.2248	-22.0038	CC32A	8678	8682	8683	8684	-0.01	
-8682	H1B	SLES	1	-0.827066	41.9589	-22.0237	HCA2	8681	0	0	0	0.09	
-8683	H1A	SLES	1	0.792486	42.7011	-21.116	HCA2	8681	0	0	0	0.09	
-8684	O1	SLES	1	0.656792	41.06	-21.3407	OC30A	8681	8685	0	0	-0.34	
-8685	C1	SLES	1	-0.0211082	40.6863	-20.1496	CTL2	8684	8686	8687	8688	-0.18	
-8686	H11	SLES	1	-1.1458	40.704	-20.1946	HAL2	8685	0	0	0	0.09	
-8687	H12	SLES	1	0.28348	41.3513	-19.3025	HAL2	8685	0	0	0	0.09	
-8688	C2	SLES	1	0.518503	39.2648	-19.9973	CTL2	8685	8689	8690	8691	-0.18	
-8689	H21	SLES	1	0.176663	38.5703	-20.8019	HAL2	8688	0	0	0	0.09	
-8690	H22	SLES	1	1.63312	39.2238	-19.9319	HAL2	8688	0	0	0	0.09	
-8691	C3	SLES	1	-0.0521241	38.8317	-18.7077	CTL2	8688	8692	8693	8694	-0.18	
-8692	H31	SLES	1	-1.16526	38.9011	-18.8473	HAL2	8691	0	0	0	0.09	
-8693	H32	SLES	1	0.329941	39.5774	-17.9569	HAL2	8691	0	0	0	0.09	
-8694	C4	SLES	1	0.233177	37.4752	-18.1495	CTL2	8691	8695	8696	8697	-0.18	
-8695	H41	SLES	1	-0.121143	36.6689	-18.8381	HAL2	8694	0	0	0	0.09	
-8696	H42	SLES	1	1.32523	37.3271	-17.9782	HAL2	8694	0	0	0	0.09	
-8697	C5	SLES	1	-0.589096	37.5968	-16.8595	CTL2	8694	8698	8699	8700	-0.18	
-8698	H51	SLES	1	-1.66356	37.8184	-17.0971	HAL2	8697	0	0	0	0.09	
-8699	H52	SLES	1	-0.233893	38.4674	-16.2477	HAL2	8697	0	0	0	0.09	
-8700	C6	SLES	1	-0.596769	36.4371	-15.9604	CTL2	8697	8701	8702	8703	-0.18	
-8701	H61	SLES	1	-1.67606	36.1602	-15.8143	HAL2	8700	0	0	0	0.09	
-8702	H62	SLES	1	-0.242321	36.8108	-14.9625	HAL2	8700	0	0	0	0.09	
-8703	C7	SLES	1	0.219079	35.2147	-16.3985	CTL2	8700	8704	8705	8706	-0.18	
-8704	H71	SLES	1	-0.137471	34.7478	-17.3468	HAL2	8703	0	0	0	0.09	
-8705	H72	SLES	1	1.31388	35.4065	-16.4842	HAL2	8703	0	0	0	0.09	
-8706	C8	SLES	1	-0.0617829	34.3208	-15.2454	CTL2	8703	8707	8708	8709	-0.18	
-8707	H81	SLES	1	-1.1799	34.1918	-15.2093	HAL2	8706	0	0	0	0.09	
-8708	H82	SLES	1	0.302254	34.8656	-14.3283	HAL2	8706	0	0	0	0.09	
-8709	C9	SLES	1	0.526095	32.954	-15.1897	CTL2	8706	8710	8711	8712	-0.18	
-8710	H91	SLES	1	0.183926	32.3524	-16.0612	HAL2	8709	0	0	0	0.09	
-8711	H92	SLES	1	1.63769	33.0131	-15.1965	HAL2	8709	0	0	0	0.09	
-8712	C10	SLES	1	-0.0435056	32.4665	-13.8591	CTL2	8709	8713	8714	8715	-0.18	
-8713	H10	SLES	1	-1.1661	32.5002	-13.8889	HAL2	8712	0	0	0	0.09	
-8714	H10	SLES	1	0.277096	33.1557	-13.031	HAL2	8712	0	0	0	0.09	
-8715	C11	SLES	1	0.355008	31.0801	-13.4696	CTL2	8712	8716	8717	8718	-0.18	
-8716	H11	SLES	1	0.0162057	30.3967	-14.2828	HAL2	8715	0	0	0	0.09	
-8717	H11	SLES	1	1.46831	31.0561	-13.4202	HAL2	8715	0	0	0	0.09	
-8718	C12	SLES	1	-0.285688	30.7283	-12.124	CTL3	8715	8719	8720	8721	-0.27	
-8719	H12	SLES	1	-0.961353	29.8589	-12.2411	HAL3	8718	0	0	0	0.09	
-8720	H12	SLES	1	0.500563	30.523	-11.3716	HAL3	8718	0	0	0	0.09	
-8721	H12	SLES	1	-0.906853	31.5635	-11.7164	HAL3	8718	0	0	0	0.09	
-8722	NA	SLES	1	-13.1891	46.0889	-27.2451	NA	0	0	0	0	1	
-8723	S	SLES	1	-15.4744	45.5098	-25.3435	SL	8724	8725	8726	8727	1.33	
-8724	OS1	SLES	1	-14.4225	44.5471	-24.9745	OSL	8723	8728	0	0	-0.28	
-8725	OS2	SLES	1	-15.4818	45.023	-26.705	O2L	8723	0	0	0	-0.65	
-8726	OS3	SLES	1	-14.5856	46.6214	-25.0953	O2L	8723	0	0	0	-0.65	
-8727	OS4	SLES	1	-16.5903	45.2593	-24.4752	O2L	8723	0	0	0	-0.65	
-8728	C2	SLES	1	-14.4493	43.6113	-23.9722	CC32A	8724	8729	8730	8731	-0.11	
-8729	H2A	SLES	1	-15.2886	42.8835	-24.1302	HCA2	8728	0	0	0	0.09	
-8730	H2B	SLES	1	-14.5568	44.1017	-22.9685	HCA2	8728	0	0	0	0.09	
-8731	C1	SLES	1	-13.0726	42.9305	-24.1293	CC32A	8728	8732	8733	8734	-0.01	
-8732	H1B	SLES	1	-12.9655	42.473	-25.1469	HCA2	8731	0	0	0	0.09	
-8733	H1A	SLES	1	-12.2452	43.6667	-23.979	HCA2	8731	0	0	0	0.09	
-8734	O1	SLES	1	-12.7361	41.895	-23.264	OC30A	8731	8735	0	0	-0.34	
-8735	C2	SLES	1	-13.6892	41.5045	-22.2924	CC32A	8734	8736	8737	8738	-0.01	
-8736	H2A	SLES	1	-14.6427	41.1664	-22.7902	HCA2	8735	0	0	0	0.09	
-8737	H2B	SLES	1	-13.9313	42.346	-21.6019	HCA2	8735	0	0	0	0.09	
-8738	C1	SLES	1	-12.7104	40.3301	-21.9268	CC32A	8735	8739	8740	8741	-0.01	
-8739	H1B	SLES	1	-13.4791	39.5955	-22.201	HCA2	8738	0	0	0	0.09	
-8740	H1A	SLES	1	-12.6714	40.922	-20.9417	HCA2	8738	0	0	0	0.09	
-8741	O1	SLES	1	-11.9439	39.4429	-21.154	OC30A	8738	8742	0	0	-0.34	
-8742	C1	SLES	1	-12.6064	38.6781	-20.1569	CTL2	8741	8743	8744	8745	-0.18	
-8743	H11	SLES	1	-13.5567	38.1663	-20.4767	HAL2	8742	0	0	0	0.09	
-8744	H12	SLES	1	-12.8607	39.3212	-19.277	HAL2	8742	0	0	0	0.09	
-8745	C2	SLES	1	-11.4985	37.6735	-19.8434	CTL2	8742	8746	8747	8748	-0.18	
-8746	H21	SLES	1	-11.2711	36.9828	-20.6907	HAL2	8745	0	0	0	0.09	
-8747	H22	SLES	1	-10.5501	38.1581	-19.5058	HAL2	8745	0	0	0	0.09	
-8748	C3	SLES	1	-12.0639	36.8978	-18.7232	CTL2	8745	8749	8750	8751	-0.18	
-8749	H31	SLES	1	-13.0079	36.4459	-19.1331	HAL2	8748	0	0	0	0.09	
-8750	H32	SLES	1	-12.2697	37.6577	-17.9195	HAL2	8748	0	0	0	0.09	
-8751	C4	SLES	1	-11.2942	35.79	-18.0802	CTL2	8748	8752	8753	8754	-0.18	
-8752	H41	SLES	1	-11.0497	34.984	-18.8154	HAL2	8751	0	0	0	0.09	
-8753	H42	SLES	1	-10.3371	36.1598	-17.643	HAL2	8751	0	0	0	0.09	
-8754	C5	SLES	1	-12.3401	35.3809	-17.0344	CTL2	8751	8755	8756	8757	-0.18	
-8755	H51	SLES	1	-13.3027	35.0903	-17.5334	HAL2	8754	0	0	0	0.09	
-8756	H52	SLES	1	-12.5976	36.2511	-16.3749	HAL2	8754	0	0	0	0.09	
-8757	C6	SLES	1	-11.9903	34.2734	-16.1375	CTL2	8754	8758	8759	8760	-0.18	
-8758	H61	SLES	1	-12.8033	33.5064	-16.2539	HAL2	8757	0	0	0	0.09	
-8759	H62	SLES	1	-12.096	34.6703	-15.0922	HAL2	8757	0	0	0	0.09	
-8760	C7	SLES	1	-10.6113	33.6319	-16.3331	CTL2	8757	8761	8762	8763	-0.18	
-8761	H71	SLES	1	-10.4737	33.1475	-17.3287	HAL2	8760	0	0	0	0.09	
-8762	H72	SLES	1	-9.75787	34.3259	-16.1524	HAL2	8760	0	0	0	0.09	
-8763	C8	SLES	1	-10.6783	32.603	-15.2633	CTL2	8760	8764	8765	8766	-0.18	
-8764	H81	SLES	1	-11.5706	31.9578	-15.4994	HAL2	8763	0	0	0	0.09	
-8765	H82	SLES	1	-10.8401	33.162	-14.2981	HAL2	8763	0	0	0	0.09	
-8766	C9	SLES	1	-9.53409	31.6786	-15.0329	CTL2	8763	8767	8768	8769	-0.18	
-8767	H91	SLES	1	-9.33666	31.0756	-15.9472	HAL2	8766	0	0	0	0.09	
-8768	H92	SLES	1	-8.62022	32.2566	-14.7684	HAL2	8766	0	0	0	0.09	
-8769	C10	SLES	1	-10.0816	30.8516	-13.8714	CTL2	8766	8770	8771	8772	-0.18	
-8770	H10	SLES	1	-11.0412	30.3533	-14.1763	HAL2	8769	0	0	0	0.09	
-8771	H10	SLES	1	-10.3297	31.5254	-13.0065	HAL2	8769	0	0	0	0.09	
-8772	C11	SLES	1	-9.16354	29.7878	-13.3635	CTL2	8769	8773	8774	8775	-0.18	
-8773	H11	SLES	1	-8.93701	29.109	-14.2185	HAL2	8772	0	0	0	0.09	
-8774	H11	SLES	1	-8.22085	30.2883	-13.042	HAL2	8772	0	0	0	0.09	
-8775	C12	SLES	1	-9.84007	29.0446	-12.2081	CTL3	8772	8776	8777	8778	-0.27	
-8776	H12	SLES	1	-9.96615	27.9754	-12.4667	HAL3	8775	0	0	0	0.09	
-8777	H12	SLES	1	-9.24547	29.1626	-11.2813	HAL3	8775	0	0	0	0.09	
-8778	H12	SLES	1	-10.8607	29.4422	-11.9851	HAL3	8775	0	0	0	0.09	
-8779	NA	SLES	1	-26.7673	40.2093	-26.7829	NA	0	0	0	0	1	
-8780	S	SLES	1	-28.7813	38.3321	-25.5203	SL	8781	8782	8783	8784	1.33	
-8781	OS1	SLES	1	-27.4814	37.9235	-24.9611	OSL	8780	8785	0	0	-0.28	
-8782	OS2	SLES	1	-28.298	38.1273	-26.8676	O2L	8780	0	0	0	-0.65	
-8783	OS3	SLES	1	-28.6146	39.6722	-25.0068	O2L	8780	0	0	0	-0.65	
-8784	OS4	SLES	1	-29.7694	37.4535	-24.9605	O2L	8780	0	0	0	-0.65	
-8785	C2	SLES	1	-27.2305	36.9332	-24.046	CC32A	8781	8786	8787	8788	-0.11	
-8786	H2A	SLES	1	-27.5599	35.9355	-24.4397	HCA2	8785	0	0	0	0.09	
-8787	H2B	SLES	1	-27.7476	37.1461	-23.0729	HCA2	8785	0	0	0	0.09	
-8788	C1	SLES	1	-25.695	37.0068	-23.9034	CC32A	8785	8789	8790	8791	-0.01	
-8789	H1B	SLES	1	-25.1919	36.8246	-24.8883	HCA2	8788	0	0	0	0.09	
-8790	H1A	SLES	1	-25.3786	38.0077	-23.5195	HCA2	8788	0	0	0	0.09	
-8791	O1	SLES	1	-25.0606	36.1211	-23.039	OC30A	8788	8792	0	0	-0.34	
-8792	C2	SLES	1	-25.8604	35.1795	-22.3473	CC32A	8791	8793	8794	8795	-0.01	
-8793	H2A	SLES	1	-26.4153	34.5231	-23.0771	HCA2	8792	0	0	0	0.09	
-8794	H2B	SLES	1	-26.6064	35.6863	-21.6915	HCA2	8792	0	0	0	0.09	
-8795	C1	SLES	1	-24.5184	34.5532	-21.8202	CC32A	8792	8796	8797	8798	-0.01	
-8796	H1B	SLES	1	-24.7629	33.6013	-22.3099	HCA2	8795	0	0	0	0.09	
-8797	H1A	SLES	1	-24.9569	34.9256	-20.8245	HCA2	8795	0	0	0	0.09	
-8798	O1	SLES	1	-23.5732	34.0116	-20.9341	OC30A	8795	8799	0	0	-0.34	
-8799	C1	SLES	1	-23.9468	32.8753	-20.1678	CTL2	8798	8800	8801	8802	-0.18	
-8800	H11	SLES	1	-24.4466	32.0402	-20.7336	HAL2	8799	0	0	0	0.09	
-8801	H12	SLES	1	-24.6409	33.173	-19.3419	HAL2	8799	0	0	0	0.09	
-8802	C2	SLES	1	-22.5684	32.4654	-19.6511	CTL2	8799	8803	8804	8805	-0.18	
-8803	H21	SLES	1	-21.88	32.1084	-20.4544	HAL2	8802	0	0	0	0.09	
-8804	H22	SLES	1	-22.0602	33.273	-19.07	HAL2	8802	0	0	0	0.09	
-8805	C3	SLES	1	-22.8766	31.3446	-18.7427	CTL2	8802	8806	8807	8808	-0.18	
-8806	H31	SLES	1	-23.3839	30.5793	-19.391	HAL2	8805	0	0	0	0.09	
-8807	H32	SLES	1	-23.5726	31.7788	-17.9727	HAL2	8805	0	0	0	0.09	
-8808	C4	SLES	1	-21.7966	30.6338	-17.9935	CTL2	8805	8809	8810	8811	-0.18	
-8809	H41	SLES	1	-21.0577	30.1663	-18.6901	HAL2	8808	0	0	0	0.09	
-8810	H42	SLES	1	-21.243	31.3293	-17.3198	HAL2	8808	0	0	0	0.09	
-8811	C5	SLES	1	-22.6802	29.6207	-17.2532	CTL2	8808	8812	8813	8814	-0.18	
-8812	H51	SLES	1	-23.2658	29.0016	-17.9837	HAL2	8811	0	0	0	0.09	
-8813	H52	SLES	1	-23.4475	30.1504	-16.6296	HAL2	8811	0	0	0	0.09	
-8814	C6	SLES	1	-22.0049	28.6734	-16.3588	CTL2	8811	8815	8816	8817	-0.18	
-8815	H61	SLES	1	-22.3002	27.6469	-16.7079	HAL2	8814	0	0	0	0.09	
-8816	H62	SLES	1	-22.4822	28.7989	-15.3499	HAL2	8814	0	0	0	0.09	
-8817	C7	SLES	1	-20.4795	28.7885	-16.251	CTL2	8814	8818	8819	8820	-0.18	
-8818	H71	SLES	1	-19.9413	28.5936	-17.2085	HAL2	8817	0	0	0	0.09	
-8819	H72	SLES	1	-20.1258	29.7598	-15.8335	HAL2	8817	0	0	0	0.09	
-8820	C8	SLES	1	-20.2297	27.6875	-15.285	CTL2	8817	8821	8822	8823	-0.18	
-8821	H81	SLES	1	-20.6302	26.7497	-15.7628	HAL2	8820	0	0	0	0.09	
-8822	H82	SLES	1	-20.8195	27.9411	-14.3586	HAL2	8820	0	0	0	0.09	
-8823	C9	SLES	1	-18.8444	27.3778	-14.8358	CTL2	8820	8824	8825	8826	-0.18	
-8824	H91	SLES	1	-18.2121	27.0942	-15.7066	HAL2	8823	0	0	0	0.09	
-8825	H92	SLES	1	-18.3979	28.2626	-14.3289	HAL2	8823	0	0	0	0.09	
-8826	C10	SLES	1	-19.1199	26.214	-13.8858	CTL2	8823	8827	8828	8829	-0.18	
-8827	H10	SLES	1	-19.637	25.3839	-14.4386	HAL2	8826	0	0	0	0.09	
-8828	H10	SLES	1	-19.8209	26.5437	-13.0713	HAL2	8826	0	0	0	0.09	
-8829	C11	SLES	1	-17.9101	25.6325	-13.2294	CTL2	8826	8830	8831	8832	-0.18	
-8830	H11	SLES	1	-17.2268	25.2868	-14.0398	HAL2	8829	0	0	0	0.09	
-8831	H11	SLES	1	-17.4115	26.4539	-12.6646	HAL2	8829	0	0	0	0.09	
-8832	C12	SLES	1	-18.3354	24.4826	-12.3119	CTL3	8829	8833	8834	8835	-0.27	
-8833	H12	SLES	1	-17.8712	23.5359	-12.6498	HAL3	8832	0	0	0	0.09	
-8834	H12	SLES	1	-18.0576	24.7106	-11.2644	HAL3	8832	0	0	0	0.09	
-8835	H12	SLES	1	-19.4409	24.3175	-12.32	HAL3	8832	0	0	0	0.09	
-8836	NA	SLES	1	-38.1471	30.2692	-26.2746	NA	0	0	0	0	1	
-8837	S	SLES	1	-39.1136	27.4541	-25.713	SL	8838	8839	8840	8841	1.33	
-8838	OS1	SLES	1	-37.8629	27.5844	-24.9461	OSL	8837	8842	0	0	-0.28	
-8839	OS2	SLES	1	-38.4281	27.7872	-26.9417	O2L	8837	0	0	0	-0.65	
-8840	OS3	SLES	1	-39.6949	28.5761	-25.0124	O2L	8837	0	0	0	-0.65	
-8841	OS4	SLES	1	-39.6013	26.1221	-25.4899	O2L	8837	0	0	0	-0.65	
-8842	C2	SLES	1	-37.273	26.6534	-24.1297	CC32A	8838	8843	8844	8845	-0.11	
-8843	H2A	SLES	1	-37.0155	25.7257	-24.7059	HCA2	8842	0	0	0	0.09	
-8844	H2B	SLES	1	-37.9448	26.3913	-23.2697	HCA2	8842	0	0	0	0.09	
-8845	C1	SLES	1	-36.005	27.3962	-23.6564	CC32A	8842	8846	8847	8848	-0.01	
-8846	H1B	SLES	1	-35.3589	27.6809	-24.527	HCA2	8845	0	0	0	0.09	
-8847	H1A	SLES	1	-36.274	28.3228	-23.0922	HCA2	8845	0	0	0	0.09	
-8848	O1	SLES	1	-35.1301	26.7434	-22.7947	OC30A	8845	8849	0	0	-0.34	
-8849	C2	SLES	1	-35.4411	25.4162	-22.4118	CC32A	8848	8850	8851	8852	-0.01	
-8850	H2A	SLES	1	-35.5041	24.7494	-23.3189	HCA2	8849	0	0	0	0.09	
-8851	H2B	SLES	1	-36.4153	25.3686	-21.8712	HCA2	8849	0	0	0	0.09	
-8852	C1	SLES	1	-34.0427	25.3853	-21.6944	CC32A	8849	8853	8854	8855	-0.01	
-8853	H1B	SLES	1	-33.7228	24.5566	-22.3398	HCA2	8852	0	0	0	0.09	
-8854	H1A	SLES	1	-34.7283	25.2919	-20.7759	HCA2	8852	0	0	0	0.09	
-8855	O1	SLES	1	-33.0726	25.1677	-20.7027	OC30A	8852	8856	0	0	-0.34	
-8856	C1	SLES	1	-32.9299	23.854	-20.1813	CTL2	8855	8857	8858	8859	-0.18	
-8857	H11	SLES	1	-32.8779	23.0241	-20.9401	HAL2	8856	0	0	0	0.09	
-8858	H12	SLES	1	-33.7775	23.6143	-19.4909	HAL2	8856	0	0	0	0.09	
-8859	C2	SLES	1	-31.6056	24.0284	-19.4392	CTL2	8856	8860	8861	8862	-0.18	
-8860	H21	SLES	1	-30.7365	24.2098	-20.1162	HAL2	8859	0	0	0	0.09	
-8861	H22	SLES	1	-31.6388	24.8354	-18.6672	HAL2	8859	0	0	0	0.09	
-8862	C3	SLES	1	-31.432	22.7282	-18.7642	CTL2	8859	8863	8864	8865	-0.18	
-8863	H31	SLES	1	-31.4105	21.9724	-19.5959	HAL2	8862	0	0	0	0.09	
-8864	H32	SLES	1	-32.3415	22.617	-18.1114	HAL2	8862	0	0	0	0.09	
-8865	C4	SLES	1	-30.2453	22.4563	-17.8977	CTL2	8862	8866	8867	8868	-0.18	
-8866	H41	SLES	1	-29.2916	22.5431	-18.4745	HAL2	8865	0	0	0	0.09	
-8867	H42	SLES	1	-30.1957	23.168	-17.0404	HAL2	8865	0	0	0	0.09	
-8868	C5	SLES	1	-30.5992	21.0186	-17.4943	CTL2	8865	8869	8870	8871	-0.18	
-8869	H51	SLES	1	-30.7069	20.3698	-18.404	HAL2	8868	0	0	0	0.09	
-8870	H52	SLES	1	-31.599	20.9877	-16.9866	HAL2	8868	0	0	0	0.09	
-8871	C6	SLES	1	-29.6625	20.3252	-16.6026	CTL2	8868	8872	8873	8874	-0.18	
-8872	H61	SLES	1	-29.3671	19.379	-17.132	HAL2	8871	0	0	0	0.09	
-8873	H62	SLES	1	-30.2615	19.9986	-15.7104	HAL2	8871	0	0	0	0.09	
-8874	C7	SLES	1	-28.4194	21.1063	-16.16	CTL2	8871	8875	8876	8877	-0.18	
-8875	H71	SLES	1	-27.7402	21.3905	-16.9982	HAL2	8874	0	0	0	0.09	
-8876	H72	SLES	1	-28.6458	22.0175	-15.559	HAL2	8874	0	0	0	0.09	
-8877	C8	SLES	1	-27.7822	20.0688	-15.3084	CTL2	8874	8878	8879	8880	-0.18	
-8878	H81	SLES	1	-27.6051	19.1776	-15.9736	HAL2	8877	0	0	0	0.09	
-8879	H82	SLES	1	-28.5309	19.818	-14.504	HAL2	8877	0	0	0	0.09	
-8880	C9	SLES	1	-26.4929	20.347	-14.6177	CTL2	8877	8881	8882	8883	-0.18	
-8881	H91	SLES	1	-25.6998	20.5799	-15.3629	HAL2	8880	0	0	0	0.09	
-8882	H92	SLES	1	-26.6079	21.2076	-13.9211	HAL2	8880	0	0	0	0.09	
-8883	C10	SLES	1	-26.2752	19.0161	-13.9008	CTL2	8880	8884	8885	8886	-0.18	
-8884	H10	SLES	1	-26.2421	18.1796	-14.6501	HAL2	8883	0	0	0	0.09	
-8885	H10	SLES	1	-27.1431	18.8031	-13.2191	HAL2	8883	0	0	0	0.09	
-8886	C11	SLES	1	-25.0289	18.9352	-13.0807	CTL2	8883	8887	8888	8889	-0.18	
-8887	H11	SLES	1	-24.1688	19.1253	-13.7642	HAL2	8886	0	0	0	0.09	
-8888	H11	SLES	1	-25.0751	19.753	-12.3247	HAL2	8886	0	0	0	0.09	
-8889	C12	SLES	1	-24.9429	17.5538	-12.4254	CTL3	8886	8890	8891	8892	-0.27	
-8890	H12	SLES	1	-24.0342	17.0249	-12.7727	HAL3	8889	0	0	0	0.09	
-8891	H12	SLES	1	-24.947	17.6561	-11.3226	HAL3	8889	0	0	0	0.09	
-8892	H12	SLES	1	-25.8123	16.9024	-12.6885	HAL3	8889	0	0	0	0.09	
-8893	NA	SLES	1	-46.0377	17.0095	-25.7699	NA	0	0	0	0	1	
-8894	S	SLES	1	-45.5292	14.0266	-25.9025	SL	8895	8896	8897	8898	1.33	
-8895	OS1	SLES	1	-44.5456	14.5349	-24.9311	OSL	8894	8899	0	0	-0.28	
-8896	OS2	SLES	1	-45.0305	14.9246	-26.9201	O2L	8894	0	0	0	-0.65	
-8897	OS3	SLES	1	-46.622	14.5436	-25.1115	O2L	8894	0	0	0	-0.65	
-8898	OS4	SLES	1	-45.3126	12.6113	-26.0116	O2L	8894	0	0	0	-0.65	
-8899	C2	SLES	1	-43.6197	13.8197	-24.2153	CC32A	8895	8900	8901	8902	-0.11	
-8900	H2A	SLES	1	-42.9103	13.2877	-24.9028	HCA2	8899	0	0	0	0.09	
-8901	H2B	SLES	1	-44.1215	13.0771	-23.5399	HCA2	8899	0	0	0	0.09	
-8902	C1	SLES	1	-42.9056	14.9285	-23.4127	CC32A	8899	8903	8904	8905	-0.01	
-8903	H1B	SLES	1	-42.4366	15.6809	-24.0984	HCA2	8902	0	0	0	0.09	
-8904	H1A	SLES	1	-43.6237	15.4571	-22.7388	HCA2	8902	0	0	0	0.09	
-8905	O1	SLES	1	-41.8704	14.572	-22.5551	OC30A	8902	8906	0	0	-0.34	
-8906	C2	SLES	1	-41.511	13.2046	-22.4795	CC32A	8905	8907	8908	8909	-0.01	
-8907	H2A	SLES	1	-41.1908	12.8253	-23.492	HCA2	8906	0	0	0	0.09	
-8908	H2B	SLES	1	-42.3641	12.581	-22.1234	HCA2	8906	0	0	0	0.09	
-8909	C1	SLES	1	-40.3174	13.6561	-21.5617	CC32A	8906	8910	8911	8912	-0.01	
-8910	H1B	SLES	1	-39.5986	13.2541	-22.2878	HCA2	8909	0	0	0	0.09	
-8911	H1A	SLES	1	-40.9171	13.0368	-20.8006	HCA2	8909	0	0	0	0.09	
-8912	O1	SLES	1	-39.4196	13.6834	-20.4823	OC30A	8909	8913	0	0	-0.34	
-8913	C1	SLES	1	-38.6794	12.5052	-20.196	CTL2	8912	8914	8915	8916	-0.18	
-8914	H11	SLES	1	-38.187	12.0048	-21.076	HAL2	8913	0	0	0	0.09	
-8915	H12	SLES	1	-39.3362	11.7408	-19.7094	HAL2	8913	0	0	0	0.09	
-8916	C2	SLES	1	-37.6522	13.0913	-19.2284	CTL2	8913	8917	8918	8919	-0.18	
-8917	H21	SLES	1	-36.9487	13.8128	-19.7093	HAL2	8916	0	0	0	0.09	
-8918	H22	SLES	1	-38.1176	13.5778	-18.3367	HAL2	8916	0	0	0	0.09	
-8919	C3	SLES	1	-36.9	11.902	-18.7857	CTL2	8916	8920	8921	8922	-0.18	
-8920	H31	SLES	1	-36.4665	11.4681	-19.7276	HAL2	8919	0	0	0	0.09	
-8921	H32	SLES	1	-37.6716	11.2273	-18.322	HAL2	8919	0	0	0	0.09	
-8922	C4	SLES	1	-35.7803	12.0139	-17.8023	CTL2	8919	8923	8924	8925	-0.18	
-8923	H41	SLES	1	-34.9623	12.6701	-18.1897	HAL2	8922	0	0	0	0.09	
-8924	H42	SLES	1	-36.1316	12.4372	-16.8321	HAL2	8922	0	0	0	0.09	
-8925	C5	SLES	1	-35.4052	10.5274	-17.7343	CTL2	8922	8926	8927	8928	-0.18	
-8926	H51	SLES	1	-35.1326	10.1433	-18.7533	HAL2	8925	0	0	0	0.09	
-8927	H52	SLES	1	-36.287	9.91398	-17.4111	HAL2	8925	0	0	0	0.09	
-8928	C6	SLES	1	-34.298	10.1579	-16.8451	CTL2	8925	8929	8930	8931	-0.18	
-8929	H61	SLES	1	-33.549	9.6164	-17.4844	HAL2	8928	0	0	0	0.09	
-8930	H62	SLES	1	-34.7066	9.38649	-16.1384	HAL2	8928	0	0	0	0.09	
-8931	C7	SLES	1	-33.6227	11.2951	-16.0691	CTL2	8928	8932	8933	8934	-0.18	
-8932	H71	SLES	1	-33.1264	12.0547	-16.7182	HAL2	8931	0	0	0	0.09	
-8933	H72	SLES	1	-34.2982	11.8216	-15.3555	HAL2	8931	0	0	0	0.09	
-8934	C8	SLES	1	-32.6053	10.5028	-15.3311	CTL2	8931	8935	8936	8937	-0.18	
-8935	H81	SLES	1	-31.979	9.98586	-16.1113	HAL2	8934	0	0	0	0.09	
-8936	H82	SLES	1	-33.1767	9.74745	-14.72	HAL2	8934	0	0	0	0.09	
-8937	C9	SLES	1	-31.6566	11.1733	-14.3999	CTL2	8934	8938	8939	8940	-0.18	
-8938	H91	SLES	1	-31.041	11.9198	-14.9498	HAL2	8937	0	0	0	0.09	
-8939	H92	SLES	1	-32.2155	11.6856	-13.5848	HAL2	8937	0	0	0	0.09	
-8940	C10	SLES	1	-30.8532	9.96835	-13.9151	CTL2	8937	8941	8942	8943	-0.18	
-8941	H10	SLES	1	-30.3746	9.45124	-14.7902	HAL2	8940	0	0	0	0.09	
-8942	H10	SLES	1	-31.5403	9.21928	-13.4353	HAL2	8940	0	0	0	0.09	
-8943	C11	SLES	1	-29.7728	10.2818	-12.9317	CTL2	8940	8944	8945	8946	-0.18	
-8944	H11	SLES	1	-29.0813	11.0082	-13.4187	HAL2	8943	0	0	0	0.09	
-8945	H11	SLES	1	-30.2541	10.7753	-12.0557	HAL2	8943	0	0	0	0.09	
-8946	C12	SLES	1	-29.0561	8.98736	-12.5373	CTL3	8943	8947	8948	8949	-0.27	
-8947	H12	SLES	1	-27.9877	9.04287	-12.8232	HAL3	8946	0	0	0	0.09	
-8948	H12	SLES	1	-29.1685	8.80748	-11.4504	HAL3	8946	0	0	0	0.09	
-8949	H12	SLES	1	-29.4793	8.0913	-13.0544	HAL3	8946	0	0	0	0.09	
-8950	NA	SLES	1	-49.3873	1.64418	-25.3182	NA	0	0	0	0	1	
-8951	S	SLES	1	-47.5064	-0.607557	-26.0705	SL	8952	8953	8954	8955	1.33	
-8952	OS1	SLES	1	-46.8673	0.0495181	-24.9176	OSL	8951	8956	0	0	-0.28	
-8953	OS2	SLES	1	-47.5268	0.637759	-26.805	O2L	8951	0	0	0	-0.65	
-8954	OS3	SLES	1	-48.694	-0.880562	-25.2945	O2L	8951	0	0	0	-0.65	
-8955	OS4	SLES	1	-46.6367	-1.67631	-26.4746	O2L	8951	0	0	0	-0.65	
-8956	C2	SLES	1	-45.6946	-0.293442	-24.2944	CC32A	8952	8957	8958	8959	-0.11	
-8957	H2A	SLES	1	-44.8331	-0.239842	-25.0112	HCA2	8956	0	0	0	0.09	
-8958	H2B	SLES	1	-45.7599	-1.32482	-23.8568	HCA2	8956	0	0	0	0.09	
-8959	C1	SLES	1	-45.5852	0.785828	-23.1959	CC32A	8956	8960	8961	8962	-0.01	
-8960	H1B	SLES	1	-45.5536	1.81251	-23.6445	HCA2	8959	0	0	0	0.09	
-8961	H1A	SLES	1	-46.453	0.728524	-22.4939	HCA2	8959	0	0	0	0.09	
-8962	O1	SLES	1	-44.4864	0.763312	-22.3436	OC30A	8959	8963	0	0	-0.34	
-8963	C2	SLES	1	-43.5104	-0.242648	-22.5438	CC32A	8962	8964	8965	8966	-0.01	
-8964	H2A	SLES	1	-43.071	-0.164001	-23.5793	HCA2	8963	0	0	0	0.09	
-8965	H2B	SLES	1	-43.9482	-1.26114	-22.4233	HCA2	8963	0	0	0	0.09	
-8966	C1	SLES	1	-42.6613	0.478817	-21.4351	CC32A	8963	8967	8968	8969	-0.01	
-8967	H1B	SLES	1	-41.8551	0.65649	-22.159	HCA2	8966	0	0	0	0.09	
-8968	H1A	SLES	1	-42.8697	-0.515444	-20.8962	HCA2	8966	0	0	0	0.09	
-8969	O1	SLES	1	-41.8627	0.661847	-20.2945	OC30A	8966	8970	0	0	-0.34	
-8970	C1	SLES	1	-40.6396	-0.0556061	-20.2104	CTL2	8969	8971	8972	8973	-0.18	
-8971	H11	SLES	1	-39.9878	-0.0306716	-21.128	HAL2	8970	0	0	0	0.09	
-8972	H12	SLES	1	-40.8345	-1.13244	-19.9761	HAL2	8970	0	0	0	0.09	
-8973	C2	SLES	1	-39.9998	0.688909	-19.0394	CTL2	8970	8974	8975	8976	-0.18	
-8974	H21	SLES	1	-39.7432	1.75006	-19.2733	HAL2	8973	0	0	0	0.09	
-8975	H22	SLES	1	-40.6209	0.661981	-18.111	HAL2	8973	0	0	0	0.09	
-8976	C3	SLES	1	-38.757	-0.0705721	-18.805	CTL2	8973	8977	8978	8979	-0.18	
-8977	H31	SLES	1	-38.1905	-0.00200562	-19.7734	HAL2	8976	0	0	0	0.09	
-8978	H32	SLES	1	-39.0964	-1.1202	-18.5838	HAL2	8976	0	0	0	0.09	
-8979	C4	SLES	1	-37.8074	0.312422	-17.7167	CTL2	8976	8980	8981	8982	-0.18	
-8980	H41	SLES	1	-37.4167	1.34952	-17.8635	HAL2	8979	0	0	0	0.09	
-8981	H42	SLES	1	-38.2962	0.266707	-16.7153	HAL2	8979	0	0	0	0.09	
-8982	C5	SLES	1	-36.7603	-0.785032	-17.9497	CTL2	8979	8983	8984	8985	-0.18	
-8983	H51	SLES	1	-36.3604	-0.731426	-18.9972	HAL2	8982	0	0	0	0.09	
-8984	H52	SLES	1	-37.229	-1.8004	-17.8616	HAL2	8982	0	0	0	0.09	
-8985	C6	SLES	1	-35.5914	-0.792326	-17.0625	CTL2	8982	8986	8987	8988	-0.18	
-8986	H61	SLES	1	-34.6896	-0.739757	-17.7309	HAL2	8985	0	0	0	0.09	
-8987	H62	SLES	1	-35.5605	-1.81162	-16.592	HAL2	8985	0	0	0	0.09	
-8988	C7	SLES	1	-35.5303	0.29928	-15.9872	CTL2	8985	8989	8990	8991	-0.18	
-8989	H71	SLES	1	-35.4774	1.33595	-16.396	HAL2	8988	0	0	0	0.09	
-8990	H72	SLES	1	-36.3589	0.250531	-15.2431	HAL2	8988	0	0	0	0.09	
-8991	C8	SLES	1	-34.2398	-0.0712677	-15.351	CTL2	8988	8992	8993	8994	-0.18	
-8992	H81	SLES	1	-33.4605	-0.0213796	-16.1624	HAL2	8991	0	0	0	0.09	
-8993	H82	SLES	1	-34.3614	-1.13052	-14.9854	HAL2	8991	0	0	0	0.09	
-8994	C9	SLES	1	-33.7105	0.716524	-14.2038	CTL2	8991	8995	8996	8997	-0.18	
-8995	H91	SLES	1	-33.5444	1.77424	-14.5077	HAL2	8994	0	0	0	0.09	
-8996	H92	SLES	1	-34.4277	0.685989	-13.353	HAL2	8994	0	0	0	0.09	
-8997	C10	SLES	1	-32.4142	-0.0423176	-13.9272	CTL2	8994	8998	8999	9000	-0.18	
-8998	H10	SLES	1	-31.7664	-0.0391775	-14.8451	HAL2	8997	0	0	0	0.09	
-8999	H10	SLES	1	-32.6433	-1.11881	-13.6988	HAL2	8997	0	0	0	0.09	
-9000	C11	SLES	1	-31.5962	0.492708	-12.7971	CTL2	8997	9001	9002	9003	-0.18	
-9001	H11	SLES	1	-31.3524	1.55386	-13.0372	HAL2	9000	0	0	0	0.09	
-9002	H11	SLES	1	-32.2349	0.468091	-11.8839	HAL2	9000	0	0	0	0.09	
-9003	C12	SLES	1	-30.3348	-0.360704	-12.6368	CTL3	9000	9004	9005	9006	-0.27	
-9004	H12	SLES	1	-29.4329	0.261463	-12.7964	HAL3	9003	0	0	0	0.09	
-9005	H12	SLES	1	-30.3208	-0.832578	-11.6351	HAL3	9003	0	0	0	0.09	
-9006	H12	SLES	1	-30.2855	-1.19245	-13.3819	HAL3	9003	0	0	0	0.09	
-9007	NA	SLES	1	-47.5925	-14.2263	-24.9638	NA	0	0	0	0	1	
-9008	S	SLES	1	-44.9546	-15.055	-26.2004	SL	9009	9010	9011	9012	1.33	
-9009	OS1	SLES	1	-44.5925	-14.451	-24.9069	OSL	9008	9013	0	0	-0.28	
-9010	OS2	SLES	1	-45.6335	-13.845	-26.6074	O2L	9008	0	0	0	-0.65	
-9011	OS3	SLES	1	-45.7893	-16.0342	-25.5433	O2L	9008	0	0	0	-0.65	
-9012	OS4	SLES	1	-43.7275	-15.4488	-26.8336	O2L	9008	0	0	0	-0.65	
-9013	C2	SLES	1	-43.3422	-14.3165	-24.3592	CC32A	9009	9014	9015	9016	-0.11	
-9014	H2A	SLES	1	-42.6835	-13.6937	-25.0204	HCA2	9013	0	0	0	0.09	
-9015	H2B	SLES	1	-42.8688	-15.3197	-24.1894	HCA2	9013	0	0	0	0.09	
-9016	C1	SLES	1	-43.6487	-13.5983	-23.0273	CC32A	9013	9017	9018	9019	-0.01	
-9017	H1B	SLES	1	-44.1505	-12.6128	-23.2097	HCA2	9016	0	0	0	0.09	
-9018	H1A	SLES	1	-44.3126	-14.2239	-22.3816	HCA2	9016	0	0	0	0.09	
-9019	O1	SLES	1	-42.5922	-13.2799	-22.1808	OC30A	9016	9020	0	0	-0.34	
-9020	C2	SLES	1	-41.2815	-13.6153	-22.5985	CC32A	9019	9021	9022	9023	-0.01	
-9021	H2A	SLES	1	-41.0357	-13.103	-23.5724	HCA2	9020	0	0	0	0.09	
-9022	H2B	SLES	1	-41.1716	-14.7157	-22.7417	HCA2	9020	0	0	0	0.09	
-9023	C1	SLES	1	-40.7702	-12.8456	-21.3269	CC32A	9020	9024	9025	9026	-0.01	
-9024	H1B	SLES	1	-40.2193	-12.1428	-21.966	HCA2	9023	0	0	0	0.09	
-9025	H1A	SLES	1	-40.4297	-13.9093	-21.0533	HCA2	9023	0	0	0	0.09	
-9026	O1	SLES	1	-40.0454	-12.5631	-20.1578	OC30A	9023	9027	0	0	-0.34	
-9027	C1	SLES	1	-38.6268	-12.5994	-20.2233	CTL2	9026	9028	9029	9030	-0.18	
-9028	H11	SLES	1	-38.158	-12.0567	-21.091	HAL2	9027	0	0	0	0.09	
-9029	H12	SLES	1	-38.2654	-13.6577	-20.2647	HAL2	9027	0	0	0	0.09	
-9030	C2	SLES	1	-38.3036	-11.9252	-18.8906	CTL2	9027	9031	9032	9033	-0.18	
-9031	H21	SLES	1	-38.6036	-10.8504	-18.8512	HAL2	9030	0	0	0	0.09	
-9032	H22	SLES	1	-38.7436	-12.4572	-18.0122	HAL2	9030	0	0	0	0.09	
-9033	C3	SLES	1	-36.8332	-12.0215	-18.8203	CTL2	9030	9034	9035	9036	-0.18	
-9034	H31	SLES	1	-36.4646	-11.4715	-19.7286	HAL2	9033	0	0	0	0.09	
-9035	H32	SLES	1	-36.6124	-13.1235	-18.8712	HAL2	9033	0	0	0	0.09	
-9036	C4	SLES	1	-36.0758	-11.4851	-17.6492	CTL2	9033	9037	9038	9039	-0.18	
-9037	H41	SLES	1	-36.2385	-10.3857	-17.528	HAL2	9036	0	0	0	0.09	
-9038	H42	SLES	1	-36.3838	-11.9857	-16.7013	HAL2	9036	0	0	0	0.09	
-9039	C5	SLES	1	-34.6629	-11.8563	-18.1193	CTL2	9036	9040	9041	9042	-0.18	
-9040	H51	SLES	1	-34.441	-11.3815	-19.1119	HAL2	9039	0	0	0	0.09	
-9041	H52	SLES	1	-34.5846	-12.9616	-18.2939	HAL2	9039	0	0	0	0.09	
-9042	C6	SLES	1	-33.5488	-11.4991	-17.2336	CTL2	9039	9043	9044	9045	-0.18	
-9043	H61	SLES	1	-32.8495	-10.8686	-17.8471	HAL2	9042	0	0	0	0.09	
-9044	H62	SLES	1	-32.9935	-12.4531	-17.0267	HAL2	9042	0	0	0	0.09	
-9045	C7	SLES	1	-33.9057	-10.7885	-15.9224	CTL2	9042	9046	9047	9048	-0.18	
-9046	H71	SLES	1	-34.3896	-9.79325	-16.0632	HAL2	9045	0	0	0	0.09	
-9047	H72	SLES	1	-34.5351	-11.3975	-15.2327	HAL2	9045	0	0	0	0.09	
-9048	C8	SLES	1	-32.5379	-10.6234	-15.3661	CTL2	9045	9049	9050	9051	-0.18	
-9049	H81	SLES	1	-31.9588	-10.0221	-16.1218	HAL2	9048	0	0	0	0.09	
-9050	H82	SLES	1	-32.1076	-11.6611	-15.2743	HAL2	9048	0	0	0	0.09	
-9051	C9	SLES	1	-32.3342	-9.96043	-14.0486	CTL2	9048	9052	9053	9054	-0.18	
-9052	H91	SLES	1	-32.7187	-8.91648	-14.0799	HAL2	9051	0	0	0	0.09	
-9053	H92	SLES	1	-32.8642	-10.5244	-13.2484	HAL2	9051	0	0	0	0.09	
-9054	C10	SLES	1	-30.8131	-10.04	-13.9358	CTL2	9051	9055	9056	9057	-0.18	
-9055	H10	SLES	1	-30.3375	-9.51755	-14.8094	HAL2	9054	0	0	0	0.09	
-9056	H10	SLES	1	-30.4823	-11.1132	-13.9838	HAL2	9054	0	0	0	0.09	
-9057	C11	SLES	1	-30.2387	-9.4478	-12.6901	CTL2	9054	9058	9059	9060	-0.18	
-9058	H11	SLES	1	-30.5506	-8.3779	-12.6568	HAL2	9057	0	0	0	0.09	
-9059	H11	SLES	1	-30.6967	-9.98295	-11.8262	HAL2	9057	0	0	0	0.09	
-9060	C12	SLES	1	-28.715	-9.59794	-12.7142	CTL3	9057	9061	9062	9063	-0.27	
-9061	H12	SLES	1	-28.235	-8.60028	-12.695	HAL3	9060	0	0	0	0.09	
-9062	H12	SLES	1	-28.3812	-10.2168	-11.8586	HAL3	9060	0	0	0	0.09	
-9063	H12	SLES	1	-28.3517	-10.1098	-13.6391	HAL3	9060	0	0	0	0.09	
-9064	NA	SLES	1	-40.6627	-28.8086	-24.7412	NA	0	0	0	0	1	
-9065	S	SLES	1	-38.184	-27.9939	-26.2796	SL	9066	9067	9068	9069	1.33	
-9066	OS1	SLES	1	-37.9387	-27.5404	-24.8999	OSL	9065	9070	0	0	-0.28	
-9067	OS2	SLES	1	-39.4039	-27.2206	-26.3469	O2L	9065	0	0	0	-0.65	
-9068	OS3	SLES	1	-38.3476	-29.3583	-25.8337	O2L	9065	0	0	0	-0.65	
-9069	OS4	SLES	1	-37.0365	-27.6113	-27.0533	O2L	9065	0	0	0	-0.65	
-9070	C2	SLES	1	-36.824	-26.9141	-24.4034	CC32A	9066	9071	9072	9073	-0.11	
-9071	H2A	SLES	1	-36.6486	-25.9388	-24.9296	HCA2	9070	0	0	0	0.09	
-9072	H2B	SLES	1	-35.9178	-27.5682	-24.5053	HCA2	9070	0	0	0	0.09	
-9073	C1	SLES	1	-37.2074	-26.6981	-22.9235	CC32A	9070	9074	9075	9076	-0.01	
-9074	H1B	SLES	1	-38.1321	-26.0707	-22.8366	HCA2	9073	0	0	0	0.09	
-9075	H1A	SLES	1	-37.3886	-27.6756	-22.4127	HCA2	9073	0	0	0	0.09	
-9076	O1	SLES	1	-36.298	-26.0653	-22.0828	OC30A	9073	9077	0	0	-0.34	
-9077	C2	SLES	1	-35.0698	-25.6318	-22.6381	CC32A	9076	9078	9079	9080	-0.01	
-9078	H2A	SLES	1	-35.2532	-24.8951	-23.4719	HCA2	9077	0	0	0	0.09	
-9079	H2B	SLES	1	-34.4857	-26.489	-23.0474	HCA2	9077	0	0	0	0.09	
-9080	C1	SLES	1	-34.7753	-24.9599	-21.2478	CC32A	9077	9081	9082	9083	-0.01	
-9081	H1B	SLES	1	-34.7272	-23.9734	-21.7276	HCA2	9080	0	0	0	0.09	
-9082	H1A	SLES	1	-33.9397	-25.7498	-21.2566	HCA2	9080	0	0	0	0.09	
-9083	O1	SLES	1	-34.0853	-24.5797	-20.0854	OC30A	9080	9084	0	0	-0.34	
-9084	C1	SLES	1	-32.8448	-23.9034	-20.2332	CTL2	9083	9085	9086	9087	-0.18	
-9085	H11	SLES	1	-32.831	-23.0513	-20.9687	HAL2	9084	0	0	0	0.09	
-9086	H12	SLES	1	-32.0448	-24.6203	-20.5471	HAL2	9084	0	0	0	0.09	
-9087	C2	SLES	1	-32.6596	-23.4164	-18.7967	CTL2	9084	9088	9089	9090	-0.18	
-9088	H21	SLES	1	-33.4141	-22.655	-18.484	HAL2	9087	0	0	0	0.09	
-9089	H22	SLES	1	-32.6516	-24.2473	-18.0498	HAL2	9087	0	0	0	0.09	
-9090	C3	SLES	1	-31.324	-22.7909	-18.83	CTL2	9087	9091	9092	9093	-0.18	
-9091	H31	SLES	1	-31.4074	-21.9742	-19.5977	HAL2	9090	0	0	0	0.09	
-9092	H32	SLES	1	-30.6276	-23.6122	-19.1562	HAL2	9090	0	0	0	0.09	
-9093	C4	SLES	1	-30.7233	-22.1788	-17.6063	CTL2	9090	9094	9095	9096	-0.18	
-9094	H41	SLES	1	-31.3564	-21.3442	-17.2159	HAL2	9093	0	0	0	0.09	
-9095	H42	SLES	1	-30.6038	-22.9311	-16.7917	HAL2	9093	0	0	0	0.09	
-9096	C5	SLES	1	-29.3981	-21.716	-18.2265	CTL2	9093	9097	9098	9099	-0.18	
-9097	H51	SLES	1	-29.5878	-21.0196	-19.0862	HAL2	9096	0	0	0	0.09	
-9098	H52	SLES	1	-28.8443	-22.5871	-18.6657	HAL2	9096	0	0	0	0.09	
-9099	C6	SLES	1	-28.4503	-21.0291	-17.3415	CTL2	9096	9100	9101	9102	-0.18	
-9100	H61	SLES	1	-28.2352	-20.0361	-17.8219	HAL2	9099	0	0	0	0.09	
-9101	H62	SLES	1	-27.4896	-21.6079	-17.4	HAL2	9099	0	0	0	0.09	
-9102	C7	SLES	1	-28.8773	-20.8405	-15.8809	CTL2	9099	9103	9104	9105	-0.18	
-9103	H71	SLES	1	-29.7842	-20.2037	-15.7522	HAL2	9102	0	0	0	0.09	
-9104	H72	SLES	1	-29.0291	-21.7949	-15.3253	HAL2	9102	0	0	0	0.09	
-9105	C8	SLES	1	-27.6732	-20.1321	-15.3749	CTL2	9102	9106	9107	9108	-0.18	
-9106	H81	SLES	1	-27.5724	-19.1966	-15.9936	HAL2	9105	0	0	0	0.09	
-9107	H82	SLES	1	-26.8012	-20.8223	-15.5584	HAL2	9105	0	0	0	0.09	
-9108	C9	SLES	1	-27.5892	-19.7105	-13.9494	CTL2	9105	9109	9110	9111	-0.18	
-9109	H91	SLES	1	-28.4145	-19.0037	-13.7082	HAL2	9108	0	0	0	0.09	
-9110	H92	SLES	1	-27.6575	-20.5982	-13.2813	HAL2	9108	0	0	0	0.09	
-9111	C10	SLES	1	-26.2104	-19.0537	-13.9403	CTL2	9108	9112	9113	9114	-0.18	
-9112	H10	SLES	1	-26.1822	-18.2144	-14.6867	HAL2	9111	0	0	0	0.09	
-9113	H10	SLES	1	-25.4313	-19.797	-14.2625	HAL2	9111	0	0	0	0.09	
-9114	C11	SLES	1	-25.7827	-18.4975	-12.6211	CTL2	9111	9115	9116	9117	-0.18	
-9115	H11	SLES	1	-26.5463	-17.7449	-12.315	HAL2	9114	0	0	0	0.09	
-9116	H11	SLES	1	-25.7913	-19.3372	-11.8881	HAL2	9114	0	0	0	0.09	
-9117	C12	SLES	1	-24.391	-17.8743	-12.7618	CTL3	9114	9118	9119	9120	-0.27	
-9118	H12	SLES	1	-24.4343	-16.7926	-12.5288	HAL3	9117	0	0	0	0.09	
-9119	H12	SLES	1	-23.6731	-18.3958	-12.0991	HAL3	9117	0	0	0	0.09	
-9120	H12	SLES	1	-23.9878	-17.9618	-13.8006	HAL3	9117	0	0	0	0.09	
-9121	NA	SLES	1	-29.2829	-40.3834	-24.6723	NA	0	0	0	0	1	
-9122	S	SLES	1	-27.8517	-38.2677	-26.3002	SL	9123	9124	9125	9126	1.33	
-9123	OS1	SLES	1	-27.5572	-37.9288	-24.8975	OSL	9122	9127	0	0	-0.28	
-9124	OS2	SLES	1	-29.2737	-38.1949	-26.0489	O2L	9122	0	0	0	-0.65	
-9125	OS3	SLES	1	-27.2673	-39.5789	-26.1372	O2L	9122	0	0	0	-0.65	
-9126	OS4	SLES	1	-27.2046	-37.2759	-27.1123	O2L	9122	0	0	0	-0.65	
-9127	C2	SLES	1	-26.7816	-36.9021	-24.4226	CC32A	9123	9128	9129	9130	-0.11	
-9128	H2A	SLES	1	-27.1929	-35.9101	-24.7476	HCA2	9127	0	0	0	0.09	
-9129	H2B	SLES	1	-25.7206	-37.0058	-24.7735	HCA2	9127	0	0	0	0.09	
-9130	C1	SLES	1	-26.8974	-37.09	-22.8946	CC32A	9127	9131	9132	9133	-0.01	
-9131	H1B	SLES	1	-27.9651	-37.0166	-22.5616	HCA2	9130	0	0	0	0.09	
-9132	H1A	SLES	1	-26.4933	-38.0848	-22.5843	HCA2	9130	0	0	0	0.09	
-9133	O1	SLES	1	-26.2284	-36.202	-22.0592	OC30A	9130	9134	0	0	-0.34	
-9134	C2	SLES	1	-25.4891	-35.1538	-22.6588	CC32A	9133	9135	9136	9137	-0.01	
-9135	H2A	SLES	1	-26.1644	-34.5057	-23.2877	HCA2	9134	0	0	0	0.09	
-9136	H2B	SLES	1	-24.6769	-35.5528	-23.3104	HCA2	9134	0	0	0	0.09	
-9137	C1	SLES	1	-25.251	-34.6039	-21.2056	CC32A	9134	9138	9139	9140	-0.01	
-9138	H1B	SLES	1	-25.7673	-33.6708	-21.4672	HCA2	9137	0	0	0	0.09	
-9139	H1A	SLES	1	-24.1683	-34.871	-21.4862	HCA2	9137	0	0	0	0.09	
-9140	O1	SLES	1	-24.5859	-34.0817	-20.0845	OC30A	9137	9141	0	0	-0.34	
-9141	C1	SLES	1	-23.8617	-32.8694	-20.2392	CTL2	9140	9142	9143	9144	-0.18	
-9142	H11	SLES	1	-24.3997	-32.0369	-20.7729	HAL2	9141	0	0	0	0.09	
-9143	H12	SLES	1	-22.9082	-33.0531	-20.7956	HAL2	9141	0	0	0	0.09	
-9144	C2	SLES	1	-23.6225	-32.5383	-18.7668	CTL2	9141	9145	9146	9147	-0.18	
-9145	H21	SLES	1	-24.5576	-32.2937	-18.2079	HAL2	9144	0	0	0	0.09	
-9146	H22	SLES	1	-23.073	-33.3431	-18.2202	HAL2	9144	0	0	0	0.09	
-9147	C3	SLES	1	-22.7686	-31.3372	-18.8333	CTL2	9144	9148	9149	9150	-0.18	
-9148	H31	SLES	1	-23.3808	-30.5791	-19.3936	HAL2	9147	0	0	0	0.09	
-9149	H32	SLES	1	-21.8587	-31.6602	-19.4107	HAL2	9147	0	0	0	0.09	
-9150	C4	SLES	1	-22.2746	-30.6669	-17.5924	CTL2	9147	9151	9152	9153	-0.18	
-9151	H41	SLES	1	-23.1225	-30.3092	-16.9577	HAL2	9150	0	0	0	0.09	
-9152	H42	SLES	1	-21.6511	-31.3575	-16.9775	HAL2	9150	0	0	0	0.09	
-9153	C5	SLES	1	-21.479	-29.5376	-18.2609	CTL2	9150	9154	9155	9156	-0.18	
-9154	H51	SLES	1	-22.1467	-28.9241	-18.9226	HAL2	9153	0	0	0	0.09	
-9155	H52	SLES	1	-20.6929	-29.9598	-18.9407	HAL2	9153	0	0	0	0.09	
-9156	C6	SLES	1	-20.7926	-28.5895	-17.3759	CTL2	9153	9157	9158	9159	-0.18	
-9157	H61	SLES	1	-21.1683	-27.5685	-17.6575	HAL2	9156	0	0	0	0.09	
-9158	H62	SLES	1	-19.7104	-28.6071	-17.6755	HAL2	9156	0	0	0	0.09	
-9159	C7	SLES	1	-20.9374	-28.8202	-15.8668	CTL2	9156	9160	9161	9162	-0.18	
-9160	H71	SLES	1	-21.9853	-28.7351	-15.4936	HAL2	9159	0	0	0	0.09	
-9161	H72	SLES	1	-20.5091	-29.7863	-15.5119	HAL2	9159	0	0	0	0.09	
-9162	C8	SLES	1	-20.1207	-27.68	-15.3765	CTL2	9159	9163	9164	9165	-0.18	
-9163	H81	SLES	1	-20.5975	-26.7474	-15.7902	HAL2	9162	0	0	0	0.09	
-9164	H82	SLES	1	-19.0898	-27.8214	-15.8099	HAL2	9162	0	0	0	0.09	
-9165	C9	SLES	1	-19.9407	-27.4536	-13.916	CTL2	9162	9166	9167	9168	-0.18	
-9166	H91	SLES	1	-20.9267	-27.2821	-13.4291	HAL2	9165	0	0	0	0.09	
-9167	H92	SLES	1	-19.4474	-28.3352	-13.4483	HAL2	9165	0	0	0	0.09	
-9168	C10	SLES	1	-19.0551	-26.2096	-13.9401	CTL2	9165	9169	9170	9171	-0.18	
-9169	H10	SLES	1	-19.5771	-25.3797	-14.4889	HAL2	9168	0	0	0	0.09	
-9170	H10	SLES	1	-18.1091	-26.4252	-14.5075	HAL2	9168	0	0	0	0.09	
-9171	C11	SLES	1	-18.664	-25.6847	-12.597	CTL2	9168	9172	9173	9174	-0.18	
-9172	H11	SLES	1	-19.6042	-25.4514	-12.0451	HAL2	9171	0	0	0	0.09	
-9173	H11	SLES	1	-18.1277	-26.5035	-12.0637	HAL2	9171	0	0	0	0.09	
-9174	C12	SLES	1	-17.7836	-24.4445	-12.7749	CTL3	9171	9175	9176	9177	-0.27	
-9175	H12	SLES	1	-18.2712	-23.5636	-12.3142	HAL3	9174	0	0	0	0.09	
-9176	H12	SLES	1	-16.7838	-24.6224	-12.3331	HAL3	9174	0	0	0	0.09	
-9177	H12	SLES	1	-17.6164	-24.1912	-13.8507	HAL3	9174	0	0	0	0.09	
-9178	NA	SLES	1	-14.7438	-47.5855	-24.7639	NA	0	0	0	0	1	
-9179	S	SLES	1	-14.8999	-44.9567	-26.2603	SL	9180	9181	9182	9183	1.33	
-9180	OS1	SLES	1	-14.4693	-44.5922	-24.8998	OSL	9179	9184	0	0	-0.28	
-9181	OS2	SLES	1	-16.0849	-45.6035	-25.7426	O2L	9179	0	0	0	-0.65	
-9182	OS3	SLES	1	-13.753	-45.8199	-26.4241	O2L	9179	0	0	0	-0.65	
-9183	OS4	SLES	1	-15.0052	-43.7334	-27.0049	O2L	9179	0	0	0	-0.65	
-9184	C2	SLES	1	-14.1718	-43.3441	-24.4151	CC32A	9180	9185	9186	9187	-0.11	
-9185	H2A	SLES	1	-15.0618	-42.6652	-24.4922	HCA2	9184	0	0	0	0.09	
-9186	H2B	SLES	1	-13.304	-42.8957	-24.9677	HCA2	9184	0	0	0	0.09	
-9187	C1	SLES	1	-13.8156	-43.6458	-22.9434	CC32A	9184	9188	9189	9190	-0.01	
-9188	H1B	SLES	1	-14.6794	-44.1228	-22.4117	HCA2	9187	0	0	0	0.09	
-9189	H1A	SLES	1	-12.9341	-44.3299	-22.8796	HCA2	9187	0	0	0	0.09	
-9190	O1	SLES	1	-13.4579	-42.5898	-22.1121	OC30A	9187	9191	0	0	-0.34	
-9191	C2	SLES	1	-13.4597	-41.2836	-22.6586	CC32A	9190	9192	9193	9194	-0.01	
-9192	H2A	SLES	1	-14.4877	-41.0171	-23.0377	HCA2	9191	0	0	0	0.09	
-9193	H2B	SLES	1	-12.7388	-41.198	-23.5051	HCA2	9191	0	0	0	0.09	
-9194	C1	SLES	1	-13.1632	-40.7659	-21.2043	CC32A	9191	9195	9196	9197	-0.01	
-9195	H1B	SLES	1	-14.0999	-40.1931	-21.2103	HCA2	9194	0	0	0	0.09	
-9196	H1A	SLES	1	-12.184	-40.4528	-21.7195	HCA2	9194	0	0	0	0.09	
-9197	O1	SLES	1	-12.5698	-40.0453	-20.1552	OC30A	9194	9198	0	0	-0.34	
-9198	C1	SLES	1	-12.5539	-38.6275	-20.2408	CTL2	9197	9199	9200	9201	-0.18	
-9199	H11	SLES	1	-13.5277	-38.1383	-20.523	HAL2	9198	0	0	0	0.09	
-9200	H12	SLES	1	-11.7899	-38.2904	-20.9859	HAL2	9198	0	0	0	0.09	
-9201	C2	SLES	1	-12.15	-38.3006	-18.8038	CTL2	9198	9202	9203	9204	-0.18	
-9202	H21	SLES	1	-12.926	-38.5758	-18.0497	HAL2	9201	0	0	0	0.09	
-9203	H22	SLES	1	-11.1761	-38.7607	-18.5068	HAL2	9201	0	0	0	0.09	
-9204	C3	SLES	1	-11.9971	-36.8335	-18.8297	CTL2	9201	9205	9206	9207	-0.18	
-9205	H31	SLES	1	-13.006	-36.4441	-19.1361	HAL2	9204	0	0	0	0.09	
-9206	H32	SLES	1	-11.2105	-36.638	-19.6099	HAL2	9204	0	0	0	0.09	
-9207	C4	SLES	1	-11.5896	-36.0744	-17.6088	CTL2	9204	9208	9209	9210	-0.18	
-9208	H41	SLES	1	-12.3258	-36.2125	-16.7789	HAL2	9207	0	0	0	0.09	
-9209	H42	SLES	1	-10.5893	-36.4025	-17.2405	HAL2	9207	0	0	0	0.09	
-9210	C5	SLES	1	-11.5978	-34.6663	-18.2191	CTL2	9207	9211	9212	9213	-0.18	
-9211	H51	SLES	1	-12.6111	-34.4245	-18.6371	HAL2	9210	0	0	0	0.09	
-9212	H52	SLES	1	-10.8951	-34.6122	-19.0918	HAL2	9210	0	0	0	0.09	
-9213	C6	SLES	1	-11.2411	-33.5522	-17.3332	CTL2	9210	9214	9215	9216	-0.18	
-9214	H61	SLES	1	-12.1038	-32.833	-17.3702	HAL2	9213	0	0	0	0.09	
-9215	H62	SLES	1	-10.3829	-33.0212	-17.826	HAL2	9213	0	0	0	0.09	
-9216	C7	SLES	1	-10.8943	-33.9043	-15.8815	CTL2	9213	9217	9218	9219	-0.18	
-9217	H71	SLES	1	-11.737	-34.3636	-15.3126	HAL2	9216	0	0	0	0.09	
-9218	H72	SLES	1	-9.99477	-34.5539	-15.7743	HAL2	9216	0	0	0	0.09	
-9219	C8	SLES	1	-10.6109	-32.5381	-15.3709	CTL2	9216	9220	9221	9222	-0.18	
-9220	H81	SLES	1	-11.5503	-31.9383	-15.5317	HAL2	9219	0	0	0	0.09	
-9221	H82	SLES	1	-9.77105	-32.133	-16.0041	HAL2	9219	0	0	0	0.09	
-9222	C9	SLES	1	-10.2116	-32.3308	-13.9516	CTL2	9219	9223	9224	9225	-0.18	
-9223	H91	SLES	1	-11.0144	-32.6906	-13.2698	HAL2	9222	0	0	0	0.09	
-9224	H92	SLES	1	-9.26889	-32.881	-13.7332	HAL2	9222	0	0	0	0.09	
-9225	C10	SLES	1	-10.0415	-30.8131	-13.9352	CTL2	9222	9226	9227	9228	-0.18	
-9226	H10	SLES	1	-11.0042	-30.3176	-14.2354	HAL2	9225	0	0	0	0.09	
-9227	H10	SLES	1	-9.2717	-30.507	-14.6949	HAL2	9225	0	0	0	0.09	
-9228	C11	SLES	1	-9.62945	-30.2363	-12.62	CTL2	9225	9229	9230	9231	-0.18	
-9229	H11	SLES	1	-10.4063	-30.5234	-11.8736	HAL2	9228	0	0	0	0.09	
-9230	H11	SLES	1	-8.66348	-30.7144	-12.3357	HAL2	9228	0	0	0	0.09	
-9231	C12	SLES	1	-9.49898	-28.7163	-12.7524	CTL3	9228	9232	9233	9234	-0.27	
-9232	H12	SLES	1	-10.2134	-28.2134	-12.0721	HAL3	9231	0	0	0	0.09	
-9233	H12	SLES	1	-8.45818	-28.4048	-12.5377	HAL3	9231	0	0	0	0.09	
-9234	H12	SLES	1	-9.73307	-28.3568	-13.7845	HAL3	9231	0	0	0	0.09	
-9235	NA	SLES	1	1.2519	-49.6261	-25.007	NA	0	0	0	0	1	
-9236	S	SLES	1	-0.48998	-47.4348	-26.1638	SL	9237	9238	9239	9240	1.33	
-9237	OS1	SLES	1	0.0356554	-46.8758	-24.9066	OSL	9236	9241	0	0	-0.28	
-9238	OS2	SLES	1	-1.06018	-48.5605	-25.4579	O2L	9236	0	0	0	-0.65	
-9239	OS3	SLES	1	0.848698	-47.6413	-26.6664	O2L	9236	0	0	0	-0.65	
-9240	OS4	SLES	1	-1.34	-46.4319	-26.7414	O2L	9236	0	0	0	-0.65	
-9241	C2	SLES	1	-0.183811	-45.6279	-24.3814	CC32A	9237	9242	9243	9244	-0.11	
-9242	H2A	SLES	1	-1.27696	-45.4645	-24.1884	HCA2	9241	0	0	0	0.09	
-9243	H2B	SLES	1	0.203164	-44.8298	-25.069	HCA2	9241	0	0	0	0.09	
-9244	C1	SLES	1	0.621073	-45.6855	-23.0652	CC32A	9241	9245	9246	9247	-0.01	
-9245	H1B	SLES	1	0.245908	-46.5072	-22.4016	HCA2	9244	0	0	0	0.09	
-9246	H1A	SLES	1	1.7063	-45.8578	-23.2696	HCA2	9244	0	0	0	0.09	
-9247	O1	SLES	1	0.6284	-44.5686	-22.2365	OC30A	9244	9248	0	0	-0.34	
-9248	C2	SLES	1	-0.124691	-43.4385	-22.6374	CC32A	9247	9249	9250	9251	-0.01	
-9249	H2A	SLES	1	-1.21367	-43.71	-22.7466	HCA2	9248	0	0	0	0.09	
-9250	H2B	SLES	1	0.23748	-43.0359	-23.6122	HCA2	9248	0	0	0	0.09	
-9251	C1	SLES	1	0.238069	-42.8078	-21.2441	CC32A	9248	9252	9253	9254	-0.01	
-9252	H1B	SLES	1	-0.827066	-42.7582	-20.982	HCA2	9251	0	0	0	0.09	
-9253	H1A	SLES	1	0.792486	-42.0735	-21.9338	HCA2	9251	0	0	0	0.09	
-9254	O1	SLES	1	0.656792	-41.8658	-20.2905	OC30A	9251	9255	0	0	-0.34	
-9255	C1	SLES	1	-0.0211082	-40.6186	-20.2378	CTL2	9254	9256	9257	9258	-0.18	
-9256	H11	SLES	1	-1.1458	-40.6666	-20.2433	HAL2	9255	0	0	0	0.09	
-9257	H12	SLES	1	0.28348	-39.9725	-21.0994	HAL2	9255	0	0	0	0.09	
-9258	C2	SLES	1	0.518503	-40.1036	-18.9042	CTL2	9255	9259	9260	9261	-0.18	
-9259	H21	SLES	1	0.176663	-40.701	-18.0251	HAL2	9258	0	0	0	0.09	
-9260	H22	SLES	1	1.63312	-40.0297	-18.8815	HAL2	9258	0	0	0	0.09	
-9261	C3	SLES	1	-0.0521241	-38.7458	-18.8197	CTL2	9258	9262	9263	9264	-0.18	
-9262	H31	SLES	1	-1.16526	-38.8986	-18.8505	HAL2	9261	0	0	0	0.09	
-9263	H32	SLES	1	0.329941	-38.2136	-19.7343	HAL2	9261	0	0	0	0.09	
-9264	C4	SLES	1	0.233177	-37.8556	-17.6538	CTL2	9261	9265	9266	9267	-0.18	
-9265	H41	SLES	1	-0.121143	-38.312	-16.6968	HAL2	9264	0	0	0	0.09	
-9266	H42	SLES	1	1.32523	-37.6518	-17.5551	HAL2	9264	0	0	0	0.09	
-9267	C5	SLES	1	-0.589096	-36.641	-18.1051	CTL2	9264	9268	9269	9270	-0.18	
-9268	H51	SLES	1	-1.66356	-36.9278	-18.2577	HAL2	9267	0	0	0	0.09	
-9269	H52	SLES	1	-0.233893	-36.2753	-19.1044	HAL2	9267	0	0	0	0.09	
-9270	C6	SLES	1	-0.596769	-35.4724	-17.2176	CTL2	9267	9271	9272	9273	-0.18	
-9271	H61	SLES	1	-1.67606	-35.2596	-16.9881	HAL2	9270	0	0	0	0.09	
-9272	H62	SLES	1	-0.242321	-34.6051	-17.837	HAL2	9270	0	0	0	0.09	
-9273	C7	SLES	1	0.219079	-35.5791	-15.9236	CTL2	9270	9274	9275	9276	-0.18	
-9274	H71	SLES	1	-0.137471	-36.3743	-15.2271	HAL2	9273	0	0	0	0.09	
-9275	H72	SLES	1	1.31388	-35.7116	-16.0867	HAL2	9273	0	0	0	0.09	
-9276	C8	SLES	1	-0.0617829	-34.234	-15.3585	CTL2	9273	9277	9278	9279	-0.18	
-9277	H81	SLES	1	-1.1799	-34.1657	-15.2432	HAL2	9276	0	0	0	0.09	
-9278	H82	SLES	1	0.302254	-33.4891	-16.1221	HAL2	9276	0	0	0	0.09	
-9279	C9	SLES	1	0.526095	-33.8264	-14.0527	CTL2	9276	9280	9281	9282	-0.18	
-9280	H91	SLES	1	0.183926	-34.5125	-13.246	HAL2	9279	0	0	0	0.09	
-9281	H92	SLES	1	1.63769	-33.8483	-14.1081	HAL2	9279	0	0	0	0.09	
-9282	C10	SLES	1	-0.0435056	-32.415	-13.9262	CTL2	9279	9283	9284	9285	-0.18	
-9283	H10	SLES	1	-1.1661	-32.4525	-13.951	HAL2	9282	0	0	0	0.09	
-9284	H10	SLES	1	0.277096	-31.7935	-14.8063	HAL2	9282	0	0	0	0.09	
-9285	C11	SLES	1	0.355008	-31.68	-12.6879	CTL2	9282	9286	9287	9288	-0.18	
-9286	H11	SLES	1	0.0162057	-32.2885	-11.8173	HAL2	9285	0	0	0	0.09	
-9287	H11	SLES	1	1.46831	-31.626	-12.6775	HAL2	9285	0	0	0	0.09	
-9288	C12	SLES	1	-0.285688	-30.2892	-12.6964	CTL3	9285	9289	9290	9291	-0.27	
-9289	H12	SLES	1	-0.961353	-30.1773	-11.8263	HAL3	9288	0	0	0	0.09	
-9290	H12	SLES	1	0.500563	-29.5093	-12.6927	HAL3	9288	0	0	0	0.09	
-9291	H12	SLES	1	-0.906853	-30.1116	-13.6085	HAL3	9288	0	0	0	0.09	
-9292	NA	SLES	1	16.863	-46.4017	-25.3778	NA	0	0	0	0	1	
-9293	S	SLES	1	14.0705	-45.42	-26.0201	SL	9294	9295	9296	9297	1.33	
-9294	OS1	SLES	1	14.5297	-44.5585	-24.9173	OSL	9293	9298	0	0	-0.28	
-9295	OS2	SLES	1	14.2903	-46.6061	-25.2227	O2L	9293	0	0	0	-0.65	
-9296	OS3	SLES	1	15.1896	-45.0173	-26.8402	O2L	9293	0	0	0	-0.65	
-9297	OS4	SLES	1	12.7369	-45.0005	-26.3478	O2L	9293	0	0	0	-0.65	
-9298	C2	SLES	1	13.8607	-43.518	-24.3249	CC32A	9294	9299	9300	9301	-0.11	
-9299	H2A	SLES	1	12.9002	-43.8727	-23.8661	HCA2	9298	0	0	0	0.09	
-9300	H2B	SLES	1	13.648	-42.7036	-25.0674	HCA2	9298	0	0	0	0.09	
-9301	C1	SLES	1	14.867	-43.0585	-23.248	CC32A	9298	9302	9303	9304	-0.01	
-9302	H1B	SLES	1	15.0957	-43.8903	-22.5323	HCA2	9301	0	0	0	0.09	
-9303	H1A	SLES	1	15.8224	-42.7164	-23.7162	HCA2	9301	0	0	0	0.09	
-9304	O1	SLES	1	14.5216	-41.9956	-22.4202	OC30A	9301	9305	0	0	-0.34	
-9305	C2	SLES	1	13.2486	-41.4015	-22.5974	CC32A	9304	9306	9307	9308	-0.01	
-9306	H2A	SLES	1	12.4332	-42.1648	-22.4426	HCA2	9305	0	0	0	0.09	
-9307	H2B	SLES	1	13.1408	-40.9735	-23.6215	HCA2	9305	0	0	0	0.09	
-9308	C1	SLES	1	13.5662	-40.5408	-21.321	CC32A	9305	9309	9310	9311	-0.01	
-9309	H1B	SLES	1	12.6999	-40.9752	-20.8048	HCA2	9308	0	0	0	0.09	
-9310	H1A	SLES	1	13.5254	-39.7034	-22.1081	HCA2	9308	0	0	0	0.09	
-9311	O1	SLES	1	13.6816	-39.4243	-20.4772	OC30A	9308	9312	0	0	-0.34	
-9312	C1	SLES	1	12.5181	-38.6474	-20.2305	CTL2	9311	9313	9314	9315	-0.18	
-9313	H11	SLES	1	11.5882	-39.2218	-19.9612	HAL2	9312	0	0	0	0.09	
-9314	H12	SLES	1	12.2697	-38.0223	-21.1249	HAL2	9312	0	0	0	0.09	
-9315	C2	SLES	1	13.0277	-37.8103	-19.0581	CTL2	9312	9316	9317	9318	-0.18	
-9316	H21	SLES	1	13.225	-38.4087	-18.1364	HAL2	9315	0	0	0	0.09	
-9317	H22	SLES	1	13.9406	-37.2164	-19.3076	HAL2	9315	0	0	0	0.09	
-9318	C3	SLES	1	11.9089	-36.8828	-18.8041	CTL2	9315	9319	9320	9321	-0.18	
-9319	H31	SLES	1	11.0335	-37.546	-18.5647	HAL2	9318	0	0	0	0.09	
-9320	H32	SLES	1	11.769	-36.326	-19.7717	HAL2	9318	0	0	0	0.09	
-9321	C4	SLES	1	11.9843	-35.8539	-17.7231	CTL2	9318	9322	9323	9324	-0.18	
-9322	H41	SLES	1	12.1207	-36.327	-16.7195	HAL2	9321	0	0	0	0.09	
-9323	H42	SLES	1	12.8326	-35.1494	-17.8903	HAL2	9321	0	0	0	0.09	
-9324	C5	SLES	1	10.6006	-35.2234	-17.9302	CTL2	9321	9325	9326	9327	-0.18	
-9325	H51	SLES	1	9.79511	-35.9976	-17.8214	HAL2	9324	0	0	0	0.09	
-9326	H52	SLES	1	10.4992	-34.8334	-18.9771	HAL2	9324	0	0	0	0.09	
-9327	C6	SLES	1	10.2309	-34.1165	-17.0406	CTL2	9324	9328	9329	9330	-0.18	
-9328	H61	SLES	1	9.26663	-34.4179	-16.5484	HAL2	9327	0	0	0	0.09	
-9329	H62	SLES	1	9.97274	-33.2503	-17.7072	HAL2	9327	0	0	0	0.09	
-9330	C7	SLES	1	11.2652	-33.6971	-15.9889	CTL2	9327	9331	9332	9333	-0.18	
-9331	H71	SLES	1	11.5043	-34.4936	-15.2452	HAL2	9330	0	0	0	0.09	
-9332	H72	SLES	1	12.2188	-33.3115	-16.4185	HAL2	9330	0	0	0	0.09	
-9333	C8	SLES	1	10.5063	-32.5965	-15.3406	CTL2	9330	9334	9335	9336	-0.18	
-9334	H81	SLES	1	9.55307	-33.0541	-14.9531	HAL2	9333	0	0	0	0.09	
-9335	H82	SLES	1	10.2827	-31.8471	-16.1523	HAL2	9333	0	0	0	0.09	
-9336	C9	SLES	1	11.1022	-31.8333	-14.2095	CTL2	9333	9337	9338	9339	-0.18	
-9337	H91	SLES	1	11.3257	-32.5167	-13.36	HAL2	9336	0	0	0	0.09	
-9338	H92	SLES	1	12.0411	-31.3324	-14.5362	HAL2	9336	0	0	0	0.09	
-9339	C10	SLES	1	9.9679	-30.8543	-13.9139	CTL2	9336	9340	9341	9342	-0.18	
-9340	H10	SLES	1	9.03025	-31.4203	-13.6636	HAL2	9339	0	0	0	0.09	
-9341	H10	SLES	1	9.74075	-30.245	-14.8307	HAL2	9339	0	0	0	0.09	
-9342	C11	SLES	1	10.2304	-29.9006	-12.794	CTL2	9339	9343	9344	9345	-0.18	
-9343	H11	SLES	1	10.4338	-30.5081	-11.8816	HAL2	9342	0	0	0	0.09	
-9344	H11	SLES	1	11.149	-29.3259	-13.0556	HAL2	9342	0	0	0	0.09	
-9345	C12	SLES	1	9.01538	-28.9865	-12.6123	CTL3	9342	9346	9347	9348	-0.27	
-9346	H12	SLES	1	8.58606	-29.1224	-11.6007	HAL3	9345	0	0	0	0.09	
-9347	H12	SLES	1	9.30551	-27.9314	-12.7831	HAL3	9345	0	0	0	0.09	
-9348	H12	SLES	1	8.19799	-29.2143	-13.3399	HAL3	9345	0	0	0	0.09	
-9349	NA	SLES	1	30.3951	-38.468	-25.8399	NA	0	0	0	0	1	
-9350	S	SLES	1	27.4164	-39.0174	-25.8432	SL	9351	9352	9353	9354	1.33	
-9351	OS1	SLES	1	27.5889	-37.8742	-24.9307	OSL	9350	9355	0	0	-0.28	
-9352	OS2	SLES	1	28.3319	-39.817	-25.0601	O2L	9350	0	0	0	-0.65	
-9353	OS3	SLES	1	28.0213	-38.2804	-26.9287	O2L	9350	0	0	0	-0.65	
-9354	OS4	SLES	1	26.0142	-39.3262	-25.8626	O2L	9350	0	0	0	-0.65	
-9355	C2	SLES	1	26.6183	-37.1833	-24.2512	CC32A	9351	9356	9357	9358	-0.11	
-9356	H2A	SLES	1	26.0585	-37.8638	-23.5566	HCA2	9355	0	0	0	0.09	
-9357	H2B	SLES	1	25.9011	-36.6949	-24.963	HCA2	9355	0	0	0	0.09	
-9358	C1	SLES	1	27.4491	-36.1398	-23.4739	CC32A	9355	9359	9360	9361	-0.01	
-9359	H1B	SLES	1	28.1835	-36.6403	-22.7909	HCA2	9358	0	0	0	0.09	
-9360	H1A	SLES	1	28.0091	-35.4742	-24.1757	HCA2	9358	0	0	0	0.09	
-9361	O1	SLES	1	26.7867	-35.2405	-22.6452	OC30A	9358	9362	0	0	-0.34	
-9362	C2	SLES	1	25.3783	-35.3446	-22.5425	CC32A	9361	9363	9364	9365	-0.01	
-9363	H2A	SLES	1	25.0862	-36.3627	-22.1557	HCA2	9362	0	0	0	0.09	
-9364	H2B	SLES	1	24.8878	-35.1894	-23.5319	HCA2	9362	0	0	0	0.09	
-9365	C1	SLES	1	25.4625	-34.2397	-21.4276	CC32A	9362	9366	9367	9368	-0.01	
-9366	H1B	SLES	1	25.0326	-34.9363	-20.6958	HCA2	9365	0	0	0	0.09	
-9367	H1A	SLES	1	24.8723	-33.6585	-22.2253	HCA2	9365	0	0	0	0.09	
-9368	O1	SLES	1	25.1693	-33.0768	-20.6971	OC30A	9365	9369	0	0	-0.34	
-9369	C1	SLES	1	23.843	-32.9017	-20.2195	CTL2	9368	9370	9371	9372	-0.18	
-9370	H11	SLES	1	23.3818	-33.79	-19.7043	HAL2	9369	0	0	0	0.09	
-9371	H12	SLES	1	23.16	-32.6193	-21.06	HAL2	9369	0	0	0	0.09	
-9372	C2	SLES	1	24.0831	-31.745	-19.2504	CTL2	9369	9373	9374	9375	-0.18	
-9373	H21	SLES	1	24.7145	-32.0234	-18.3726	HAL2	9372	0	0	0	0.09	
-9374	H22	SLES	1	24.5239	-30.8444	-19.7434	HAL2	9372	0	0	0	0.09	
-9375	C3	SLES	1	22.7223	-31.4169	-18.7847	CTL2	9372	9376	9377	9378	-0.18	
-9376	H31	SLES	1	22.3456	-32.362	-18.3068	HAL2	9375	0	0	0	0.09	
-9377	H32	SLES	1	22.1518	-31.1554	-19.7184	HAL2	9375	0	0	0	0.09	
-9378	C4	SLES	1	22.4818	-30.3101	-17.8099	CTL2	9375	9379	9380	9381	-0.18	
-9379	H41	SLES	1	23.0149	-30.4945	-16.8448	HAL2	9378	0	0	0	0.09	
-9380	H42	SLES	1	22.8284	-29.3299	-18.2135	HAL2	9378	0	0	0	0.09	
-9381	C5	SLES	1	20.9557	-30.4389	-17.7115	CTL2	9378	9382	9383	9384	-0.18	
-9382	H51	SLES	1	20.6689	-31.4694	-17.3711	HAL2	9381	0	0	0	0.09	
-9383	H52	SLES	1	20.4851	-30.3177	-18.7225	HAL2	9381	0	0	0	0.09	
-9384	C6	SLES	1	20.2624	-29.5026	-16.8193	CTL2	9381	9385	9386	9387	-0.18	
-9385	H61	SLES	1	19.6793	-30.1329	-16.0944	HAL2	9384	0	0	0	0.09	
-9386	H62	SLES	1	19.4951	-28.9778	-17.4495	HAL2	9384	0	0	0	0.09	
-9387	C7	SLES	1	21.1321	-28.485	-16.0711	CTL2	9384	9388	9389	9390	-0.18	
-9388	H71	SLES	1	21.8632	-28.9454	-15.3654	HAL2	9387	0	0	0	0.09	
-9389	H72	SLES	1	21.6764	-27.776	-16.7373	HAL2	9387	0	0	0	0.09	
-9390	C8	SLES	1	20.0658	-27.7745	-15.3189	CTL2	9387	9391	9392	9393	-0.18	
-9391	H81	SLES	1	19.5493	-28.5527	-14.6898	HAL2	9390	0	0	0	0.09	
-9392	H82	SLES	1	19.3583	-27.359	-16.0918	HAL2	9390	0	0	0	0.09	
-9393	C9	SLES	1	20.4081	-26.6487	-14.4066	CTL2	9390	9394	9395	9396	-0.18	
-9394	H91	SLES	1	21.0901	-27.0007	-13.6006	HAL2	9393	0	0	0	0.09	
-9395	H92	SLES	1	20.9023	-25.8295	-14.9757	HAL2	9393	0	0	0	0.09	
-9396	C10	SLES	1	19.0165	-26.2761	-13.8995	CTL2	9393	9397	9398	9399	-0.18	
-9397	H10	SLES	1	18.5412	-27.1639	-13.4013	HAL2	9396	0	0	0	0.09	
-9398	H10	SLES	1	18.3553	-26.0013	-14.7659	HAL2	9396	0	0	0	0.09	
-9399	C11	SLES	1	18.9793	-25.1415	-12.9281	CTL2	9396	9400	9401	9402	-0.18	
-9400	H11	SLES	1	19.6186	-25.4266	-12.0602	HAL2	9399	0	0	0	0.09	
-9401	H11	SLES	1	19.4321	-24.2569	-13.4331	HAL2	9399	0	0	0	0.09	
-9402	C12	SLES	1	17.5298	-24.8816	-12.5085	CTL3	9399	9403	9404	9405	-0.27	
-9403	H12	SLES	1	17.4172	-25.0344	-11.4176	HAL3	9402	0	0	0	0.09	
-9404	H12	SLES	1	17.2284	-23.8565	-12.8	HAL3	9402	0	0	0	0.09	
-9405	H12	SLES	1	16.8108	-25.5787	-13.005	HAL3	9402	0	0	0	0.09	
-9406	NA	SLES	1	40.5301	-26.8931	-26.3482	NA	0	0	0	0	1	
-9407	S	SLES	1	38.2359	-28.7436	-25.6506	SL	9408	9409	9410	9411	1.33	
-9408	OS1	SLES	1	37.9349	-27.4859	-24.9457	OSL	9407	9412	0	0	-0.28	
-9409	OS2	SLES	1	39.5162	-28.8427	-24.986	O2L	9407	0	0	0	-0.65	
-9410	OS3	SLES	1	38.2577	-28.0598	-26.9231	O2L	9407	0	0	0	-0.65	
-9411	OS4	SLES	1	37.1784	-29.6615	-25.3332	O2L	9407	0	0	0	-0.65	
-9412	C2	SLES	1	36.8435	-27.1954	-24.1675	CC32A	9408	9413	9414	9415	-0.11	
-9413	H2A	SLES	1	36.7838	-27.8926	-23.2904	HCA2	9412	0	0	0	0.09	
-9414	H2B	SLES	1	35.8962	-27.2574	-24.7661	HCA2	9412	0	0	0	0.09	
-9415	C1	SLES	1	37.1416	-25.7479	-23.7208	CC32A	9412	9416	9417	9418	-0.01	
-9416	H1B	SLES	1	38.1061	-25.6945	-23.1522	HCA2	9415	0	0	0	0.09	
-9417	H1A	SLES	1	37.2079	-25.0649	-24.6031	HCA2	9415	0	0	0	0.09	
-9418	O1	SLES	1	36.2315	-25.1038	-22.8895	OC30A	9415	9419	0	0	-0.34	
-9419	C2	SLES	1	35.083	-25.8225	-22.478	CC32A	9418	9420	9421	9422	-0.01	
-9420	H2A	SLES	1	35.3817	-26.7521	-21.9139	HCA2	9419	0	0	0	0.09	
-9421	H2B	SLES	1	34.4605	-26.1256	-23.3522	HCA2	9419	0	0	0	0.09	
-9422	C1	SLES	1	34.7501	-24.5957	-21.5534	CC32A	9419	9423	9424	9425	-0.01	
-9423	H1B	SLES	1	34.8148	-25.2388	-20.6659	HCA2	9422	0	0	0	0.09	
-9424	H1A	SLES	1	33.8558	-24.5373	-22.2739	HCA2	9422	0	0	0	0.09	
-9425	O1	SLES	1	34.0157	-23.5748	-20.9285	OC30A	9422	9426	0	0	-0.34	
-9426	C1	SLES	1	32.8471	-23.9357	-20.2061	CTL2	9425	9427	9428	9429	-0.18	
-9427	H11	SLES	1	32.9523	-24.8044	-19.4978	HAL2	9426	0	0	0	0.09	
-9428	H12	SLES	1	32.0148	-24.1866	-20.911	HAL2	9426	0	0	0	0.09	
-9429	C2	SLES	1	32.6047	-22.6231	-19.4623	CTL2	9426	9430	9431	9432	-0.18	
-9430	H21	SLES	1	33.3954	-22.3847	-18.7108	HAL2	9429	0	0	0	0.09	
-9431	H22	SLES	1	32.4787	-21.7486	-20.1462	HAL2	9429	0	0	0	0.09	
-9432	C3	SLES	1	31.3295	-22.8707	-18.7631	CTL2	9429	9433	9434	9435	-0.18	
-9433	H31	SLES	1	31.5308	-23.7571	-18.1019	HAL2	9432	0	0	0	0.09	
-9434	H32	SLES	1	30.5927	-23.1074	-19.5797	HAL2	9432	0	0	0	0.09	
-9435	C4	SLES	1	30.6986	-21.822	-17.9057	CTL2	9432	9436	9437	9438	-0.18	
-9436	H41	SLES	1	31.3692	-21.5296	-17.0604	HAL2	9435	0	0	0	0.09	
-9437	H42	SLES	1	30.4635	-20.9034	-18.4929	HAL2	9435	0	0	0	0.09	
-9438	C5	SLES	1	29.4604	-22.6173	-17.4703	CTL2	9435	9439	9440	9441	-0.18	
-9439	H51	SLES	1	29.764	-23.5649	-16.9507	HAL2	9438	0	0	0	0.09	
-9440	H52	SLES	1	28.8691	-22.945	-18.3655	HAL2	9438	0	0	0	0.09	
-9441	C6	SLES	1	28.5135	-21.9421	-16.5755	CTL2	9438	9442	9443	9444	-0.18	
-9442	H61	SLES	1	28.4127	-22.6005	-15.6704	HAL2	9441	0	0	0	0.09	
-9443	H62	SLES	1	27.5153	-21.9787	-17.089	HAL2	9441	0	0	0	0.09	
-9444	C7	SLES	1	28.8541	-20.5053	-16.1621	CTL2	9441	9445	9446	9447	-0.18	
-9445	H71	SLES	1	29.7988	-20.414	-15.5757	HAL2	9444	0	0	0	0.09	
-9446	H72	SLES	1	28.89	-19.7847	-17.0119	HAL2	9444	0	0	0	0.09	
-9447	C8	SLES	1	27.6797	-20.2267	-15.2955	CTL2	9444	9448	9449	9450	-0.18	
-9448	H81	SLES	1	27.6973	-21.0019	-14.4789	HAL2	9447	0	0	0	0.09	
-9449	H82	SLES	1	26.7692	-20.3599	-15.9464	HAL2	9447	0	0	0	0.09	
-9450	C9	SLES	1	27.5335	-18.9055	-14.6247	CTL2	9447	9451	9452	9453	-0.18	
-9451	H91	SLES	1	28.395	-18.7223	-13.9443	HAL2	9450	0	0	0	0.09	
-9452	H92	SLES	1	27.4841	-18.0925	-15.3835	HAL2	9450	0	0	0	0.09	
-9453	C10	SLES	1	26.215	-19.1203	-13.8844	CTL2	9450	9454	9455	9456	-0.18	
-9454	H10	SLES	1	26.3057	-19.9986	-13.1898	HAL2	9453	0	0	0	0.09	
-9455	H10	SLES	1	25.4019	-19.3731	-14.6182	HAL2	9453	0	0	0	0.09	
-9456	C11	SLES	1	25.7451	-17.9543	-13.0768	CTL2	9453	9457	9458	9459	-0.18	
-9457	H11	SLES	1	26.5445	-17.7201	-12.3358	HAL2	9456	0	0	0	0.09	
-9458	H11	SLES	1	25.6358	-17.0906	-13.773	HAL2	9456	0	0	0	0.09	
-9459	C12	SLES	1	24.4213	-18.3114	-12.395	CTL3	9456	9460	9461	9462	-0.27	
-9460	H12	SLES	1	24.5361	-18.2635	-11.2947	HAL3	9459	0	0	0	0.09	
-9461	H12	SLES	1	23.6201	-17.6299	-12.7417	HAL3	9459	0	0	0	0.09	
-9462	H12	SLES	1	24.0839	-19.3493	-12.6365	HAL3	9459	0	0	0	0.09	
-9463	NA	SLES	1	46.4529	-13.0425	-26.8529	NA	0	0	0	0	1	
-9464	S	SLES	1	45.4007	-15.5183	-25.461	SL	9465	9466	9467	9468	1.33	
-9465	OS1	SLES	1	44.56	-14.4173	-24.9607	OSL	9464	9469	0	0	-0.28	
-9466	OS2	SLES	1	46.5986	-14.8475	-25.0076	O2L	9464	0	0	0	-0.65	
-9467	OS3	SLES	1	45.0168	-15.2316	-26.824	O2L	9464	0	0	0	-0.65	
-9468	OS4	SLES	1	44.9473	-16.716	-24.8114	O2L	9464	0	0	0	-0.65	
-9469	C2	SLES	1	43.5095	-14.4903	-24.0818	CC32A	9465	9470	9471	9472	-0.11	
-9470	H2A	SLES	1	43.8459	-14.9012	-23.0934	HCA2	9469	0	0	0	0.09	
-9471	H2B	SLES	1	42.6838	-15.1276	-24.496	HCA2	9469	0	0	0	0.09	
-9472	C1	SLES	1	43.0834	-13.011	-23.9646	CC32A	9469	9473	9474	9475	-0.01	
-9473	H1B	SLES	1	43.9267	-12.3802	-23.5808	HCA2	9472	0	0	0	0.09	
-9474	H1A	SLES	1	42.7594	-12.6104	-24.9565	HCA2	9472	0	0	0	0.09	
-9475	O1	SLES	1	42.0202	-12.6857	-23.1291	OC30A	9472	9476	0	0	-0.34	
-9476	C2	SLES	1	41.395	-13.7332	-22.4103	CC32A	9475	9477	9478	9479	-0.01	
-9477	H2A	SLES	1	42.1405	-14.2506	-21.7409	HCA2	9476	0	0	0	0.09	
-9478	H2B	SLES	1	40.9554	-14.4912	-23.1001	HCA2	9476	0	0	0	0.09	
-9479	C1	SLES	1	40.5535	-12.6204	-21.6862	CC32A	9476	9480	9481	9482	-0.01	
-9480	H1B	SLES	1	40.9722	-12.9249	-20.7179	HCA2	9479	0	0	0	0.09	
-9481	H1A	SLES	1	39.7083	-13.16	-22.2492	HCA2	9479	0	0	0	0.09	
-9482	O1	SLES	1	39.4475	-11.942	-21.1489	OC30A	9479	9483	0	0	-0.34	
-9483	C1	SLES	1	38.6461	-12.6193	-20.1914	CTL2	9482	9484	9485	9486	-0.18	
-9484	H11	SLES	1	39.201	-13.1402	-19.3619	HAL2	9483	0	0	0	0.09	
-9485	H12	SLES	1	38.0073	-13.3897	-20.6925	HAL2	9483	0	0	0	0.09	
-9486	C2	SLES	1	37.8316	-11.4349	-19.6731	CTL2	9483	9487	9488	9489	-0.18	
-9487	H21	SLES	1	38.4428	-10.6834	-19.1178	HAL2	9486	0	0	0	0.09	
-9488	H22	SLES	1	37.257	-10.9129	-20.4766	HAL2	9486	0	0	0	0.09	
-9489	C3	SLES	1	36.8807	-12.0708	-18.7416	CTL2	9486	9490	9491	9492	-0.18	
-9490	H31	SLES	1	37.5253	-12.5733	-17.9702	HAL2	9489	0	0	0	0.09	
-9491	H32	SLES	1	36.312	-12.8115	-19.3691	HAL2	9489	0	0	0	0.09	
-9492	C4	SLES	1	35.8635	-11.2646	-18.001	CTL2	9489	9493	9494	9495	-0.18	
-9493	H41	SLES	1	36.3487	-10.5003	-17.3452	HAL2	9492	0	0	0	0.09	
-9494	H42	SLES	1	35.1775	-10.7326	-18.7012	HAL2	9492	0	0	0	0.09	
-9495	C5	SLES	1	35.1991	-12.4133	-17.2303	CTL2	9492	9496	9497	9498	-0.18	
-9496	H51	SLES	1	35.9553	-12.9545	-16.6015	HAL2	9495	0	0	0	0.09	
-9497	H52	SLES	1	34.7975	-13.1828	-17.9409	HAL2	9495	0	0	0	0.09	
-9498	C6	SLES	1	34.092	-12.0634	-16.333	CTL2	9495	9499	9500	9501	-0.18	
-9499	H61	SLES	1	34.3752	-12.4535	-15.3179	HAL2	9498	0	0	0	0.09	
-9500	H62	SLES	1	33.2141	-12.6823	-16.661	HAL2	9498	0	0	0	0.09	
-9501	C7	SLES	1	33.7063	-10.5814	-16.253	CTL2	9498	9502	9503	9504	-0.18	
-9502	H71	SLES	1	34.5148	-9.92325	-15.8557	HAL2	9501	0	0	0	0.09	
-9503	H72	SLES	1	33.3391	-10.1551	-17.2154	HAL2	9501	0	0	0	0.09	
-9504	C8	SLES	1	32.5942	-10.6818	-15.2728	CTL2	9501	9505	9506	9507	-0.18	
-9505	H81	SLES	1	33.0328	-11.1378	-14.3413	HAL2	9504	0	0	0	0.09	
-9506	H82	SLES	1	31.8325	-11.3753	-15.7304	HAL2	9504	0	0	0	0.09	
-9507	C9	SLES	1	31.8553	-9.46295	-14.8425	CTL2	9504	9508	9509	9510	-0.18	
-9508	H91	SLES	1	32.5513	-8.74255	-14.3574	HAL2	9507	0	0	0	0.09	
-9509	H92	SLES	1	31.3735	-8.97575	-15.7198	HAL2	9507	0	0	0	0.09	
-9510	C10	SLES	1	30.8527	-10.0811	-13.8702	CTL2	9507	9511	9512	9513	-0.18	
-9511	H10	SLES	1	31.399	-10.6202	-13.0497	HAL2	9510	0	0	0	0.09	
-9512	H10	SLES	1	30.2301	-10.8511	-14.402	HAL2	9510	0	0	0	0.09	
-9513	C11	SLES	1	29.9156	-9.1121	-13.2258	CTL2	9510	9514	9515	9516	-0.18	
-9514	H11	SLES	1	30.5359	-8.36258	-12.6813	HAL2	9513	0	0	0	0.09	
-9515	H11	SLES	1	29.3601	-8.59451	-14.0419	HAL2	9513	0	0	0	0.09	
-9516	C12	SLES	1	28.975	-9.86809	-12.2831	CTL3	9513	9517	9518	9519	-0.27	
-9517	H12	SLES	1	29.1101	-9.50934	-11.2442	HAL3	9516	0	0	0	0.09	
-9518	H12	SLES	1	27.9255	-9.7435	-12.614	HAL3	9516	0	0	0	0.09	
-9519	H12	SLES	1	29.1772	-10.9674	-12.2706	HAL3	9516	0	0	0	0.09	
-9520	NA	SLES	1	36.3182	1.64418	-38.3873	NA	0	0	0	0	1	
-9521	S	SLES	1	37.0705	-0.607557	-36.5064	SL	9522	9523	9524	9525	1.33	
-9522	OS1	SLES	1	35.9176	0.0495181	-35.8673	OSL	9521	9526	0	0	-0.28	
-9523	OS2	SLES	1	37.805	0.637759	-36.5268	O2L	9521	0	0	0	-0.65	
-9524	OS3	SLES	1	36.2945	-0.880562	-37.694	O2L	9521	0	0	0	-0.65	
-9525	OS4	SLES	1	37.4746	-1.67631	-35.6367	O2L	9521	0	0	0	-0.65	
-9526	C2	SLES	1	35.2944	-0.293442	-34.6946	CC32A	9522	9527	9528	9529	-0.11	
-9527	H2A	SLES	1	36.0112	-0.239842	-33.8331	HCA2	9526	0	0	0	0.09	
-9528	H2B	SLES	1	34.8568	-1.32482	-34.7599	HCA2	9526	0	0	0	0.09	
-9529	C1	SLES	1	34.1959	0.785828	-34.5852	CC32A	9526	9530	9531	9532	-0.01	
-9530	H1B	SLES	1	34.6445	1.81251	-34.5536	HCA2	9529	0	0	0	0.09	
-9531	H1A	SLES	1	33.4939	0.728524	-35.453	HCA2	9529	0	0	0	0.09	
-9532	O1	SLES	1	33.3436	0.763312	-33.4864	OC30A	9529	9533	0	0	-0.34	
-9533	C2	SLES	1	33.5438	-0.242648	-32.5104	CC32A	9532	9534	9535	9536	-0.01	
-9534	H2A	SLES	1	34.5793	-0.164001	-32.071	HCA2	9533	0	0	0	0.09	
-9535	H2B	SLES	1	33.4233	-1.26114	-32.9482	HCA2	9533	0	0	0	0.09	
-9536	C1	SLES	1	32.4351	0.478817	-31.6613	CC32A	9533	9537	9538	9539	-0.01	
-9537	H1B	SLES	1	33.159	0.65649	-30.8551	HCA2	9536	0	0	0	0.09	
-9538	H1A	SLES	1	31.8962	-0.515444	-31.8697	HCA2	9536	0	0	0	0.09	
-9539	O1	SLES	1	31.2945	0.661847	-30.8627	OC30A	9536	9540	0	0	-0.34	
-9540	C1	SLES	1	31.2104	-0.0556061	-29.6396	CTL2	9539	9541	9542	9543	-0.18	
-9541	H11	SLES	1	32.128	-0.0306716	-28.9878	HAL2	9540	0	0	0	0.09	
-9542	H12	SLES	1	30.9761	-1.13244	-29.8345	HAL2	9540	0	0	0	0.09	
-9543	C2	SLES	1	30.0394	0.688909	-28.9998	CTL2	9540	9544	9545	9546	-0.18	
-9544	H21	SLES	1	30.2733	1.75006	-28.7432	HAL2	9543	0	0	0	0.09	
-9545	H22	SLES	1	29.111	0.661981	-29.6209	HAL2	9543	0	0	0	0.09	
-9546	C3	SLES	1	29.805	-0.0705721	-27.757	CTL2	9543	9547	9548	9549	-0.18	
-9547	H31	SLES	1	30.7734	-0.00200562	-27.1905	HAL2	9546	0	0	0	0.09	
-9548	H32	SLES	1	29.5838	-1.1202	-28.0964	HAL2	9546	0	0	0	0.09	
-9549	C4	SLES	1	28.7167	0.312422	-26.8074	CTL2	9546	9550	9551	9552	-0.18	
-9550	H41	SLES	1	28.8635	1.34952	-26.4167	HAL2	9549	0	0	0	0.09	
-9551	H42	SLES	1	27.7153	0.266707	-27.2962	HAL2	9549	0	0	0	0.09	
-9552	C5	SLES	1	28.9497	-0.785032	-25.7603	CTL2	9549	9553	9554	9555	-0.18	
-9553	H51	SLES	1	29.9972	-0.731426	-25.3604	HAL2	9552	0	0	0	0.09	
-9554	H52	SLES	1	28.8616	-1.8004	-26.229	HAL2	9552	0	0	0	0.09	
-9555	C6	SLES	1	28.0625	-0.792326	-24.5914	CTL2	9552	9556	9557	9558	-0.18	
-9556	H61	SLES	1	28.7309	-0.739757	-23.6896	HAL2	9555	0	0	0	0.09	
-9557	H62	SLES	1	27.592	-1.81162	-24.5605	HAL2	9555	0	0	0	0.09	
-9558	C7	SLES	1	26.9872	0.29928	-24.5303	CTL2	9555	9559	9560	9561	-0.18	
-9559	H71	SLES	1	27.396	1.33595	-24.4774	HAL2	9558	0	0	0	0.09	
-9560	H72	SLES	1	26.2431	0.250531	-25.3589	HAL2	9558	0	0	0	0.09	
-9561	C8	SLES	1	26.351	-0.0712677	-23.2398	CTL2	9558	9562	9563	9564	-0.18	
-9562	H81	SLES	1	27.1624	-0.0213796	-22.4605	HAL2	9561	0	0	0	0.09	
-9563	H82	SLES	1	25.9854	-1.13052	-23.3614	HAL2	9561	0	0	0	0.09	
-9564	C9	SLES	1	25.2038	0.716524	-22.7105	CTL2	9561	9565	9566	9567	-0.18	
-9565	H91	SLES	1	25.5077	1.77424	-22.5444	HAL2	9564	0	0	0	0.09	
-9566	H92	SLES	1	24.353	0.685989	-23.4277	HAL2	9564	0	0	0	0.09	
-9567	C10	SLES	1	24.9272	-0.0423176	-21.4142	CTL2	9564	9568	9569	9570	-0.18	
-9568	H10	SLES	1	25.8451	-0.0391775	-20.7664	HAL2	9567	0	0	0	0.09	
-9569	H10	SLES	1	24.6988	-1.11881	-21.6433	HAL2	9567	0	0	0	0.09	
-9570	C11	SLES	1	23.7971	0.492708	-20.5962	CTL2	9567	9571	9572	9573	-0.18	
-9571	H11	SLES	1	24.0372	1.55386	-20.3524	HAL2	9570	0	0	0	0.09	
-9572	H11	SLES	1	22.8839	0.468091	-21.2349	HAL2	9570	0	0	0	0.09	
-9573	C12	SLES	1	23.6368	-0.360704	-19.3348	CTL3	9570	9574	9575	9576	-0.27	
-9574	H12	SLES	1	23.7964	0.261463	-18.4329	HAL3	9573	0	0	0	0.09	
-9575	H12	SLES	1	22.6351	-0.832578	-19.3208	HAL3	9573	0	0	0	0.09	
-9576	H12	SLES	1	24.3819	-1.19245	-19.2855	HAL3	9573	0	0	0	0.09	
-9577	NA	SLES	1	32.3683	15.4981	-38.7285	NA	0	0	0	0	1	
-9578	S	SLES	1	34.1587	14.819	-36.3817	SL	9579	9580	9581	9582	1.33	
-9579	OS1	SLES	1	32.7875	14.6316	-35.8777	OSL	9578	9583	0	0	-0.28	
-9580	OS2	SLES	1	33.8698	16.1896	-36.7406	O2L	9578	0	0	0	-0.65	
-9581	OS3	SLES	1	33.937	13.8513	-37.4313	O2L	9578	0	0	0	-0.65	
-9582	OS4	SLES	1	35.0462	14.5238	-35.2921	O2L	9578	0	0	0	-0.65	
-9583	C2	SLES	1	32.3967	14.2123	-34.6317	CC32A	9579	9584	9585	9586	-0.11	
-9584	H2A	SLES	1	32.7665	14.9173	-33.8409	HCA2	9583	0	0	0	0.09	
-9585	H2B	SLES	1	32.7724	13.1759	-34.4212	HCA2	9583	0	0	0	0.09	
-9586	C1	SLES	1	30.8575	14.248	-34.7471	CC32A	9583	9587	9588	9589	-0.01	
-9587	H1B	SLES	1	30.4976	15.2814	-34.9894	HCA2	9586	0	0	0	0.09	
-9588	H1A	SLES	1	30.502	13.5492	-35.5436	HCA2	9586	0	0	0	0.09	
-9589	O1	SLES	1	30.0956	13.8829	-33.6424	OC30A	9586	9590	0	0	-0.34	
-9590	C2	SLES	1	30.7771	13.5157	-32.4568	CC32A	9589	9591	9592	9593	-0.01	
-9591	H2A	SLES	1	31.4222	14.3664	-32.0942	HCA2	9590	0	0	0	0.09	
-9592	H2B	SLES	1	31.4283	12.6259	-32.6234	HCA2	9590	0	0	0	0.09	
-9593	C1	SLES	1	29.3661	13.4475	-31.7673	CC32A	9590	9594	9595	9596	-0.01	
-9594	H1B	SLES	1	29.6662	14.2329	-31.0611	HCA2	9593	0	0	0	0.09	
-9595	H1A	SLES	1	29.6629	12.3385	-31.7004	HCA2	9593	0	0	0	0.09	
-9596	O1	SLES	1	28.2978	12.9684	-30.992	OC30A	9593	9597	0	0	-0.34	
-9597	C1	SLES	1	28.5444	12.6626	-29.6269	CTL2	9596	9598	9599	9600	-0.18	
-9598	H11	SLES	1	29.1094	13.4398	-29.0405	HAL2	9597	0	0	0	0.09	
-9599	H12	SLES	1	29.1173	11.7052	-29.5391	HAL2	9597	0	0	0	0.09	
-9600	C2	SLES	1	27.1015	12.5244	-29.1431	CTL2	9597	9601	9602	9603	-0.18	
-9601	H21	SLES	1	26.5302	13.4834	-29.1672	HAL2	9600	0	0	0	0.09	
-9602	H22	SLES	1	26.5256	11.7448	-29.6989	HAL2	9600	0	0	0	0.09	
-9603	C3	SLES	1	27.2634	12.0911	-27.7423	CTL2	9600	9604	9605	9606	-0.18	
-9604	H31	SLES	1	27.8484	12.9157	-27.2513	HAL2	9603	0	0	0	0.09	
-9605	H32	SLES	1	27.8479	11.1316	-27.8016	HAL2	9603	0	0	0	0.09	
-9606	C4	SLES	1	26.079	11.8197	-26.8724	CTL2	9603	9607	9608	9609	-0.18	
-9607	H41	SLES	1	25.4413	12.7306	-26.7572	HAL2	9606	0	0	0	0.09	
-9608	H42	SLES	1	25.4437	11.0049	-27.2925	HAL2	9606	0	0	0	0.09	
-9609	C5	SLES	1	26.8356	11.4252	-25.5969	CTL2	9606	9610	9611	9612	-0.18	
-9610	H51	SLES	1	27.5117	12.2582	-25.2668	HAL2	9609	0	0	0	0.09	
-9611	H52	SLES	1	27.5127	10.5532	-25.7955	HAL2	9609	0	0	0	0.09	
-9612	C6	SLES	1	26.0282	11.0619	-24.4267	CTL2	9609	9613	9614	9615	-0.18	
-9613	H61	SLES	1	26.3576	11.7416	-23.5946	HAL2	9612	0	0	0	0.09	
-9614	H62	SLES	1	26.3584	10.0318	-24.1247	HAL2	9612	0	0	0	0.09	
-9615	C7	SLES	1	24.5046	11.1119	-24.5929	CTL2	9612	9616	9617	9618	-0.18	
-9616	H71	SLES	1	24.1059	12.1298	-24.8154	HAL2	9615	0	0	0	0.09	
-9617	H72	SLES	1	24.107	10.3987	-25.3518	HAL2	9615	0	0	0	0.09	
-9618	C8	SLES	1	24.1062	10.689	-23.2254	CTL2	9615	9619	9620	9621	-0.18	
-9619	H81	SLES	1	24.5592	11.4384	-22.5173	HAL2	9618	0	0	0	0.09	
-9620	H82	SLES	1	24.5611	9.67023	-23.0655	HAL2	9618	0	0	0	0.09	
-9621	C9	SLES	1	22.6674	10.5745	-22.8602	CTL2	9618	9622	9623	9624	-0.18	
-9622	H91	SLES	1	22.1621	11.5596	-22.974	HAL2	9621	0	0	0	0.09	
-9623	H92	SLES	1	22.164	9.8249	-23.5114	HAL2	9621	0	0	0	0.09	
-9624	C10	SLES	1	22.7904	10.124	-21.406	CTL2	9621	9625	9626	9627	-0.18	
-9625	H10	SLES	1	23.3708	10.8853	-20.8181	HAL2	9624	0	0	0	0.09	
-9626	H10	SLES	1	23.3722	9.1638	-21.3517	HAL2	9624	0	0	0	0.09	
-9627	C11	SLES	1	21.4924	9.90368	-20.6995	CTL2	9624	9628	9629	9630	-0.18	
-9628	H11	SLES	1	20.9273	10.8641	-20.7363	HAL2	9627	0	0	0	0.09	
-9629	H11	SLES	1	20.9285	9.13233	-21.2735	HAL2	9627	0	0	0	0.09	
-9630	C12	SLES	1	21.7685	9.45847	-19.2606	CTL3	9627	9631	9632	9633	-0.27	
-9631	H12	SLES	1	21.3456	10.1932	-18.5482	HAL3	9630	0	0	0	0.09	
-9632	H12	SLES	1	21.3471	8.44891	-19.0883	HAL3	9630	0	0	0	0.09	
-9633	H12	SLES	1	22.8618	9.39002	-19.038	HAL3	9630	0	0	0	0.09	
-9634	NA	SLES	1	23.7467	26.6272	-38.879	NA	0	0	0	0	1	
-9635	S	SLES	1	24.9902	27.691	-36.3302	SL	9636	9637	9638	9639	1.33	
-9636	OS1	SLES	1	24.0154	26.6817	-35.8825	OSL	9635	9640	0	0	-0.28	
-9637	OS2	SLES	1	23.956	28.4211	-37.0289	O2L	9635	0	0	0	-0.65	
-9638	OS3	SLES	1	25.6888	26.7071	-37.1247	O2L	9635	0	0	0	-0.65	
-9639	OS4	SLES	1	25.5949	28.2379	-35.1482	O2L	9635	0	0	0	-0.65	
-9640	C2	SLES	1	23.7445	26.2816	-34.5989	CC32A	9636	9641	9642	9643	-0.11	
-9641	H2A	SLES	1	23.3806	27.1451	-33.9818	HCA2	9640	0	0	0	0.09	
-9642	H2B	SLES	1	24.653	25.8295	-34.1197	HCA2	9640	0	0	0	0.09	
-9643	C1	SLES	1	22.6328	25.2324	-34.8156	CC32A	9640	9644	9645	9646	-0.01	
-9644	H1B	SLES	1	21.7444	25.689	-35.324	HCA2	9643	0	0	0	0.09	
-9645	H1A	SLES	1	23.0042	24.3822	-35.4389	HCA2	9643	0	0	0	0.09	
-9646	O1	SLES	1	22.0879	24.5965	-33.7052	OC30A	9643	9647	0	0	-0.34	
-9647	C2	SLES	1	22.5708	24.9633	-32.4257	CC32A	9646	9648	9649	9650	-0.01	
-9648	H2A	SLES	1	22.4009	26.0626	-32.2412	HCA2	9647	0	0	0	0.09	
-9649	H2B	SLES	1	23.6621	24.7545	-32.3298	HCA2	9647	0	0	0	0.09	
-9650	C1	SLES	1	21.4496	24.0366	-31.8299	CC32A	9647	9651	9652	9653	-0.01	
-9651	H1B	SLES	1	21.0002	24.8982	-31.3186	HCA2	9650	0	0	0	0.09	
-9652	H1A	SLES	1	22.3792	23.4591	-31.4769	HCA2	9650	0	0	0	0.09	
-9653	O1	SLES	1	20.828	23.0642	-31.0298	OC30A	9650	9654	0	0	-0.34	
-9654	C1	SLES	1	20.9181	23.1997	-29.6187	CTL2	9653	9655	9656	9657	-0.18	
-9655	H11	SLES	1	20.6911	24.2217	-29.2047	HAL2	9654	0	0	0	0.09	
-9656	H12	SLES	1	21.9433	22.9232	-29.2651	HAL2	9654	0	0	0	0.09	
-9657	C2	SLES	1	19.8633	22.1735	-29.207	CTL2	9654	9658	9659	9660	-0.18	
-9658	H21	SLES	1	18.8248	22.4609	-29.4993	HAL2	9657	0	0	0	0.09	
-9659	H22	SLES	1	20.0775	21.1466	-29.5915	HAL2	9657	0	0	0	0.09	
-9660	C3	SLES	1	19.9684	22.1645	-27.7356	CTL2	9657	9661	9662	9663	-0.18	
-9661	H31	SLES	1	19.745	23.2212	-27.4243	HAL2	9660	0	0	0	0.09	
-9662	H32	SLES	1	21.0345	21.8746	-27.5231	HAL2	9660	0	0	0	0.09	
-9663	C4	SLES	1	19.1063	21.2732	-26.9017	CTL2	9660	9664	9665	9666	-0.18	
-9664	H41	SLES	1	18.0218	21.4993	-27.0516	HAL2	9663	0	0	0	0.09	
-9665	H42	SLES	1	19.2719	20.1986	-27.1499	HAL2	9663	0	0	0	0.09	
-9666	C5	SLES	1	19.6424	21.6843	-25.5238	CTL2	9663	9667	9668	9669	-0.18	
-9667	H51	SLES	1	19.5134	22.7879	-25.3646	HAL2	9666	0	0	0	0.09	
-9668	H52	SLES	1	20.7475	21.5018	-25.4616	HAL2	9666	0	0	0	0.09	
-9669	C6	SLES	1	19.0496	21.0272	-24.3532	CTL2	9666	9670	9671	9672	-0.18	
-9670	H61	SLES	1	18.6644	21.8506	-23.6925	HAL2	9669	0	0	0	0.09	
-9671	H62	SLES	1	19.9018	20.5607	-23.7897	HAL2	9669	0	0	0	0.09	
-9672	C7	SLES	1	17.9506	19.9921	-24.6216	CTL2	9669	9673	9674	9675	-0.18	
-9673	H71	SLES	1	17.0401	20.4136	-25.1094	HAL2	9672	0	0	0	0.09	
-9674	H72	SLES	1	18.293	19.1078	-25.2076	HAL2	9672	0	0	0	0.09	
-9675	C8	SLES	1	17.6508	19.6006	-23.22	CTL2	9672	9676	9677	9678	-0.18	
-9676	H81	SLES	1	17.3354	20.5419	-22.6885	HAL2	9675	0	0	0	0.09	
-9677	H82	SLES	1	18.6158	19.2087	-22.789	HAL2	9675	0	0	0	0.09	
-9678	C9	SLES	1	16.6086	18.578	-22.9286	CTL2	9675	9679	9680	9681	-0.18	
-9679	H91	SLES	1	15.6197	18.9174	-23.31	HAL2	9678	0	0	0	0.09	
-9680	H92	SLES	1	16.8757	17.6095	-23.4082	HAL2	9678	0	0	0	0.09	
-9681	C10	SLES	1	16.6856	18.5372	-21.4038	CTL2	9678	9682	9683	9684	-0.18	
-9682	H10	SLES	1	16.4799	19.5586	-20.9836	HAL2	9681	0	0	0	0.09	
-9683	H10	SLES	1	17.7261	18.2603	-21.0813	HAL2	9681	0	0	0	0.09	
-9684	C11	SLES	1	15.7424	17.5821	-20.7475	CTL2	9681	9685	9686	9687	-0.18	
-9685	H11	SLES	1	14.7101	17.8731	-21.0521	HAL2	9684	0	0	0	0.09	
-9686	H11	SLES	1	15.9637	16.5669	-21.1509	HAL2	9684	0	0	0	0.09	
-9687	C12	SLES	1	15.9298	17.6485	-19.2292	CTL3	9684	9688	9689	9690	-0.27	
-9688	H12	SLES	1	14.99	17.9772	-18.7448	HAL3	9687	0	0	0	0.09	
-9689	H12	SLES	1	16.2526	16.6619	-18.8434	HAL3	9687	0	0	0	0.09	
-9690	H12	SLES	1	16.718	18.3819	-18.9287	HAL3	9687	0	0	0	0.09	
-9691	NA	SLES	1	11.7008	33.8026	-38.8126	NA	0	0	0	0	1	
-9692	S	SLES	1	11.2494	35.5227	-36.3607	SL	9693	9694	9695	9696	1.33	
-9693	OS1	SLES	1	11.1113	34.137	-35.881	OSL	9692	9697	0	0	-0.28	
-9694	OS2	SLES	1	10.2077	35.3167	-37.342	O2L	9692	0	0	0	-0.65	
-9695	OS3	SLES	1	12.5911	35.2589	-36.8272	O2L	9692	0	0	0	-0.65	
-9696	OS4	SLES	1	11.0248	36.3785	-35.2298	O2L	9692	0	0	0	-0.65	
-9697	C2	SLES	1	10.8638	33.7077	-34.6021	CC32A	9693	9698	9699	9700	-0.11	
-9698	H2A	SLES	1	9.88315	34.1075	-34.2314	HCA2	9697	0	0	0	0.09	
-9699	H2B	SLES	1	11.6878	34.0211	-33.9075	HCA2	9697	0	0	0	0.09	
-9700	C1	SLES	1	10.8199	32.1746	-34.7789	CC32A	9697	9701	9702	9703	-0.01	
-9701	H1B	SLES	1	10.0145	31.8773	-35.4995	HCA2	9700	0	0	0	0.09	
-9702	H1A	SLES	1	11.7986	31.7895	-35.1571	HCA2	9700	0	0	0	0.09	
-9703	O1	SLES	1	10.5763	31.3797	-33.664	OC30A	9700	9704	0	0	-0.34	
-9704	C2	SLES	1	10.3596	32.0247	-32.4223	CC32A	9703	9705	9706	9707	-0.01	
-9705	H2A	SLES	1	9.46866	32.7128	-32.4865	HCA2	9704	0	0	0	0.09	
-9706	H2B	SLES	1	11.2481	32.626	-32.1182	HCA2	9704	0	0	0	0.09	
-9707	C1	SLES	1	10.0263	30.6039	-31.8383	CC32A	9704	9708	9709	9710	-0.01	
-9708	H1B	SLES	1	9.0125	30.9396	-31.583	HCA2	9707	0	0	0	0.09	
-9709	H1A	SLES	1	10.9792	30.836	-31.238	HCA2	9707	0	0	0	0.09	
-9710	O1	SLES	1	10.027	29.5005	-30.9696	OC30A	9707	9711	0	0	-0.34	
-9711	C1	SLES	1	9.6512	29.7127	-29.6162	CTL2	9710	9712	9713	9714	-0.18	
-9712	H11	SLES	1	8.71376	30.314	-29.452	HAL2	9711	0	0	0	0.09	
-9713	H12	SLES	1	10.4734	30.229	-29.0596	HAL2	9711	0	0	0	0.09	
-9714	C2	SLES	1	9.47641	28.2585	-29.1806	CTL2	9711	9715	9716	9717	-0.18	
-9715	H21	SLES	1	8.62232	27.7431	-29.6821	HAL2	9714	0	0	0	0.09	
-9716	H22	SLES	1	10.4007	27.6459	-29.3172	HAL2	9714	0	0	0	0.09	
-9717	C3	SLES	1	9.19148	28.3783	-27.7381	CTL2	9714	9718	9719	9720	-0.18	
-9718	H31	SLES	1	8.25916	29.0034	-27.6795	HAL2	9717	0	0	0	0.09	
-9719	H32	SLES	1	10.0866	28.9078	-27.309	HAL2	9717	0	0	0	0.09	
-9720	C4	SLES	1	8.95969	27.1699	-26.8902	CTL2	9717	9721	9722	9723	-0.18	
-9721	H41	SLES	1	8.07796	26.5838	-27.249	HAL2	9720	0	0	0	0.09	
-9722	H42	SLES	1	9.8471	26.4943	-26.8931	HAL2	9720	0	0	0	0.09	
-9723	C5	SLES	1	8.72706	27.8871	-25.5536	CTL2	9720	9724	9725	9726	-0.18	
-9724	H51	SLES	1	7.86863	28.6056	-25.6367	HAL2	9723	0	0	0	0.09	
-9725	H52	SLES	1	9.61645	28.5158	-25.285	HAL2	9723	0	0	0	0.09	
-9726	C6	SLES	1	8.44851	27.0462	-24.3837	CTL2	9723	9727	9728	9729	-0.18	
-9727	H61	SLES	1	7.46828	27.4036	-23.9663	HAL2	9726	0	0	0	0.09	
-9728	H62	SLES	1	9.22097	27.3134	-23.6135	HAL2	9726	0	0	0	0.09	
-9729	C7	SLES	1	8.41704	25.53	-24.6114	CTL2	9726	9730	9731	9732	-0.18	
-9730	H71	SLES	1	7.61409	25.1928	-25.3087	HAL2	9729	0	0	0	0.09	
-9731	H72	SLES	1	9.38849	25.1016	-24.9513	HAL2	9729	0	0	0	0.09	
-9732	C8	SLES	1	8.11411	25.0916	-23.2245	CTL2	9729	9733	9734	9735	-0.18	
-9733	H81	SLES	1	7.13779	25.5778	-22.9444	HAL2	9732	0	0	0	0.09	
-9734	H82	SLES	1	8.95037	25.4856	-22.5797	HAL2	9732	0	0	0	0.09	
-9735	C9	SLES	1	7.97574	23.6442	-22.904	CTL2	9732	9736	9737	9738	-0.18	
-9736	H91	SLES	1	7.14471	23.1973	-23.4943	HAL2	9735	0	0	0	0.09	
-9737	H92	SLES	1	8.92268	23.1069	-23.136	HAL2	9735	0	0	0	0.09	
-9738	C10	SLES	1	7.6785	23.7236	-21.408	CTL2	9735	9739	9740	9741	-0.18	
-9739	H10	SLES	1	6.75493	24.3393	-21.2343	HAL2	9738	0	0	0	0.09	
-9740	H10	SLES	1	8.5196	24.249	-20.879	HAL2	9738	0	0	0	0.09	
-9741	C11	SLES	1	7.47527	22.4066	-20.7321	CTL2	9738	9742	9743	9744	-0.18	
-9742	H11	SLES	1	6.62633	21.8977	-21.2453	HAL2	9741	0	0	0	0.09	
-9743	H11	SLES	1	8.40165	21.8067	-20.8883	HAL2	9741	0	0	0	0.09	
-9744	C12	SLES	1	7.18749	22.6394	-19.2462	CTL3	9741	9745	9746	9747	-0.27	
-9745	H12	SLES	1	6.18328	22.2504	-18.9886	HAL3	9744	0	0	0	0.09	
-9746	H12	SLES	1	7.97099	22.159	-18.6282	HAL3	9744	0	0	0	0.09	
-9747	H12	SLES	1	7.18904	23.7242	-18.9766	HAL3	9744	0	0	0	0.09	
-9748	NA	SLES	1	-2.36621	36.0682	-38.541	NA	0	0	0	0	1	
-9749	S	SLES	1	-4.42794	36.8596	-36.468	SL	9750	9751	9752	9753	1.33	
-9750	OS1	SLES	1	-3.71318	35.7173	-35.8733	OSL	9749	9754	0	0	-0.28	
-9751	OS2	SLES	1	-4.78428	36.0703	-37.6258	O2L	9749	0	0	0	-0.65	
-9752	OS3	SLES	1	-3.19628	37.6048	-36.5902	O2L	9749	0	0	0	-0.65	
-9753	OS4	SLES	1	-5.4323	37.2593	-35.5228	O2L	9749	0	0	0	-0.65	
-9754	C2	SLES	1	-3.90894	35.1488	-34.6406	CC32A	9750	9755	9756	9757	-0.11	
-9755	H2A	SLES	1	-4.95496	34.7539	-34.5465	HCA2	9754	0	0	0	0.09	
-9756	H2B	SLES	1	-3.70817	35.8891	-33.8213	HCA2	9754	0	0	0	0.09	
-9757	C1	SLES	1	-2.87054	34.0063	-34.6433	CC32A	9754	9758	9759	9760	-0.01	
-9758	H1B	SLES	1	-3.06274	33.2922	-35.4856	HCA2	9757	0	0	0	0.09	
-9759	H1A	SLES	1	-1.83389	34.4111	-34.7468	HCA2	9757	0	0	0	0.09	
-9760	O1	SLES	1	-2.77907	33.1833	-33.526	OC30A	9757	9761	0	0	-0.34	
-9761	C2	SLES	1	-3.66343	33.4262	-32.4473	CC32A	9760	9762	9763	9764	-0.01	
-9762	H2A	SLES	1	-4.73434	33.3329	-32.7877	HCA2	9761	0	0	0	0.09	
-9763	H2B	SLES	1	-3.51567	34.4477	-32.025	HCA2	9761	0	0	0	0.09	
-9764	C1	SLES	1	-3.08746	32.1191	-31.7911	CC32A	9761	9765	9766	9767	-0.01	
-9765	H1B	SLES	1	-4.08594	31.6626	-31.8086	HCA2	9764	0	0	0	0.09	
-9766	H1A	SLES	1	-2.71892	32.8933	-31.0248	HCA2	9764	0	0	0	0.09	
-9767	O1	SLES	1	-2.55833	31.2516	-30.8218	OC30A	9764	9768	0	0	-0.34	
-9768	C1	SLES	1	-3.29169	31.0619	-29.6201	CTL2	9767	9769	9770	9771	-0.18	
-9769	H11	SLES	1	-4.39234	30.858	-29.7397	HAL2	9768	0	0	0	0.09	
-9770	H12	SLES	1	-3.19458	31.9591	-28.9582	HAL2	9768	0	0	0	0.09	
-9771	C2	SLES	1	-2.54619	29.8475	-29.0683	CTL2	9768	9772	9773	9774	-0.18	
-9772	H21	SLES	1	-2.67961	28.9257	-29.6839	HAL2	9771	0	0	0	0.09	
-9773	H22	SLES	1	-1.45383	30.0324	-28.9236	HAL2	9771	0	0	0	0.09	
-9774	C3	SLES	1	-3.17541	29.6455	-27.7494	CTL2	9771	9775	9776	9777	-0.18	
-9775	H31	SLES	1	-4.26286	29.4697	-27.9728	HAL2	9774	0	0	0	0.09	
-9776	H32	SLES	1	-3.00507	30.6103	-27.1963	HAL2	9774	0	0	0	0.09	
-9777	C4	SLES	1	-2.7342	28.5451	-26.8397	CTL2	9774	9778	9779	9780	-0.18	
-9778	H41	SLES	1	-2.87419	27.543	-27.3152	HAL2	9777	0	0	0	0.09	
-9779	H42	SLES	1	-1.65794	28.6498	-26.5666	HAL2	9777	0	0	0	0.09	
-9780	C5	SLES	1	-3.70112	28.8239	-25.6811	CTL2	9777	9781	9782	9783	-0.18	
-9781	H51	SLES	1	-4.76492	28.7761	-26.0361	HAL2	9780	0	0	0	0.09	
-9782	H52	SLES	1	-3.56242	29.8684	-25.2962	HAL2	9780	0	0	0	0.09	
-9783	C6	SLES	1	-3.61663	27.9397	-24.513	CTL2	9780	9784	9785	9786	-0.18	
-9784	H61	SLES	1	-4.64533	27.511	-24.3687	HAL2	9783	0	0	0	0.09	
-9785	H62	SLES	1	-3.43936	28.6062	-23.6266	HAL2	9783	0	0	0	0.09	
-9786	C7	SLES	1	-2.56852	26.8215	-24.5642	CTL2	9783	9787	9788	9789	-0.18	
-9787	H71	SLES	1	-2.73798	26.0781	-25.3786	HAL2	9786	0	0	0	0.09	
-9788	H72	SLES	1	-1.51726	27.1871	-24.6271	HAL2	9786	0	0	0	0.09	
-9789	C8	SLES	1	-2.82316	26.2015	-23.2382	CTL2	9786	9790	9791	9792	-0.18	
-9790	H81	SLES	1	-3.90216	25.8792	-23.2409	HAL2	9789	0	0	0	0.09	
-9791	H82	SLES	1	-2.65571	27.0126	-22.4737	HAL2	9789	0	0	0	0.09	
-9792	C9	SLES	1	-2.02878	25.0245	-22.7905	CTL2	9789	9793	9794	9795	-0.18	
-9793	H91	SLES	1	-2.17044	24.1745	-23.4949	HAL2	9792	0	0	0	0.09	
-9794	H92	SLES	1	-0.947903	25.2863	-22.7418	HAL2	9792	0	0	0	0.09	
-9795	C10	SLES	1	-2.65253	24.7809	-21.4179	CTL2	9792	9796	9797	9798	-0.18	
-9796	H10	SLES	1	-3.7554	24.5964	-21.5268	HAL2	9795	0	0	0	0.09	
-9797	H10	SLES	1	-2.54162	25.6995	-20.7796	HAL2	9795	0	0	0	0.09	
-9798	C11	SLES	1	-2.07701	23.6318	-20.6557	CTL2	9795	9799	9800	9801	-0.18	
-9799	H11	SLES	1	-2.20834	22.719	-21.2823	HAL2	9798	0	0	0	0.09	
-9800	H11	SLES	1	-0.986977	23.8286	-20.531	HAL2	9798	0	0	0	0.09	
-9801	C12	SLES	1	-2.79437	23.5078	-19.3086	CTL3	9798	9802	9803	9804	-0.27	
-9802	H12	SLES	1	-3.30145	22.526	-19.2376	HAL3	9801	0	0	0	0.09	
-9803	H12	SLES	1	-2.07198	23.6435	-18.4802	HAL3	9801	0	0	0	0.09	
-9804	H12	SLES	1	-3.5848	24.2865	-19.1733	HAL3	9801	0	0	0	0.09	
-9805	NA	SLES	1	-16.6883	32.7175	-38.111	NA	0	0	0	0	1	
-9806	S	SLES	1	-19.083	31.5965	-36.6335	SL	9807	9808	9809	9810	1.33	
-9807	OS1	SLES	1	-17.9148	31.1407	-35.8609	OSL	9806	9811	0	0	-0.28	
-9808	OS2	SLES	1	-18.5715	30.9683	-37.8312	O2L	9806	0	0	0	-0.65	
-9809	OS3	SLES	1	-18.6995	32.9779	-36.4548	O2L	9806	0	0	0	-0.65	
-9810	OS4	SLES	1	-20.2467	31.0711	-35.9765	O2L	9806	0	0	0	-0.65	
-9811	C2	SLES	1	-17.9036	30.3981	-34.7078	CC32A	9807	9812	9813	9814	-0.11	
-9812	H2A	SLES	1	-18.3898	29.4004	-34.8727	HCA2	9811	0	0	0	0.09	
-9813	H2B	SLES	1	-18.4257	30.9413	-33.876	HCA2	9811	0	0	0	0.09	
-9814	C1	SLES	1	-16.3915	30.2524	-34.4323	CC32A	9811	9815	9816	9817	-0.01	
-9815	H1B	SLES	1	-15.8767	29.7376	-35.2846	HCA2	9814	0	0	0	0.09	
-9816	H1A	SLES	1	-15.9168	31.2526	-34.279	HCA2	9814	0	0	0	0.09	
-9817	O1	SLES	1	-15.9816	29.5328	-33.3151	OC30A	9814	9818	0	0	-0.34	
-9818	C2	SLES	1	-16.9797	28.951	-32.4963	CC32A	9817	9819	9820	9821	-0.01	
-9819	H2A	SLES	1	-17.6051	28.2268	-33.0928	HCA2	9818	0	0	0	0.09	
-9820	H2B	SLES	1	-17.6542	29.7281	-32.0665	HCA2	9818	0	0	0	0.09	
-9821	C1	SLES	1	-15.8088	28.2728	-31.6963	CC32A	9818	9822	9823	9824	-0.01	
-9822	H1B	SLES	1	-16.1979	27.2795	-31.9564	HCA2	9821	0	0	0	0.09	
-9823	H1A	SLES	1	-16.2255	28.9606	-30.8743	HCA2	9821	0	0	0	0.09	
-9824	O1	SLES	1	-15.0315	27.8348	-30.6119	OC30A	9821	9825	0	0	-0.34	
-9825	C1	SLES	1	-15.6517	27.0173	-29.6295	CTL2	9824	9826	9827	9828	-0.18	
-9826	H11	SLES	1	-16.2654	26.1572	-30.0179	HAL2	9825	0	0	0	0.09	
-9827	H12	SLES	1	-16.3235	27.6317	-28.9786	HAL2	9825	0	0	0	0.09	
-9828	C2	SLES	1	-14.4044	26.5361	-28.8895	CTL2	9825	9829	9830	9831	-0.18	
-9829	H21	SLES	1	-13.7503	25.8723	-29.5045	HAL2	9828	0	0	0	0.09	
-9830	H22	SLES	1	-13.7884	27.3728	-28.4787	HAL2	9828	0	0	0	0.09	
-9831	C3	SLES	1	-14.9654	25.76	-27.7674	CTL2	9828	9832	9833	9834	-0.18	
-9832	H31	SLES	1	-15.5688	24.9457	-28.2535	HAL2	9831	0	0	0	0.09	
-9833	H32	SLES	1	-15.6106	26.4897	-27.2045	HAL2	9831	0	0	0	0.09	
-9834	C4	SLES	1	-14.0796	25.1029	-26.7591	CTL2	9831	9835	9836	9837	-0.18	
-9835	H41	SLES	1	-13.4026	24.3536	-27.2388	HAL2	9834	0	0	0	0.09	
-9836	H42	SLES	1	-13.4451	25.8497	-26.2267	HAL2	9834	0	0	0	0.09	
-9837	C5	SLES	1	-15.1758	24.4798	-25.8843	CTL2	9834	9838	9839	9840	-0.18	
-9838	H51	SLES	1	-15.8244	23.7959	-26.4939	HAL2	9837	0	0	0	0.09	
-9839	H52	SLES	1	-15.8651	25.2737	-25.4934	HAL2	9837	0	0	0	0.09	
-9840	C6	SLES	1	-14.739	23.7028	-24.7187	CTL2	9837	9841	9842	9843	-0.18	
-9841	H61	SLES	1	-15.1997	22.6838	-24.83	HAL2	9840	0	0	0	0.09	
-9842	H62	SLES	1	-15.2403	24.1657	-23.8267	HAL2	9840	0	0	0	0.09	
-9843	C7	SLES	1	-13.2272	23.589	-24.488	CTL2	9840	9844	9845	9846	-0.18	
-9844	H71	SLES	1	-12.6819	23.0635	-25.3072	HAL2	9843	0	0	0	0.09	
-9845	H72	SLES	1	-12.7233	24.5637	-24.2912	HAL2	9843	0	0	0	0.09	
-9846	C8	SLES	1	-13.2404	22.7548	-23.2586	CTL2	9843	9847	9848	9849	-0.18	
-9847	H81	SLES	1	-13.7806	21.8038	-23.5266	HAL2	9846	0	0	0	0.09	
-9848	H82	SLES	1	-13.8238	23.3365	-22.4893	HAL2	9846	0	0	0	0.09	
-9849	C9	SLES	1	-11.964	22.3499	-22.6078	CTL2	9846	9850	9851	9852	-0.18	
-9850	H91	SLES	1	-11.3476	21.7474	-23.3119	HAL2	9849	0	0	0	0.09	
-9851	H92	SLES	1	-11.39	23.2506	-22.2939	HAL2	9849	0	0	0	0.09	
-9852	C10	SLES	1	-12.5032	21.5385	-21.4316	CTL2	9849	9853	9854	9855	-0.18	
-9853	H10	SLES	1	-13.1337	20.6893	-21.8106	HAL2	9852	0	0	0	0.09	
-9854	H10	SLES	1	-13.1753	22.1814	-20.8004	HAL2	9852	0	0	0	0.09	
-9855	C11	SLES	1	-11.4609	20.9585	-20.5317	CTL2	9852	9856	9857	9858	-0.18	
-9856	H11	SLES	1	-10.8094	20.3044	-21.1568	HAL2	9855	0	0	0	0.09	
-9857	H11	SLES	1	-10.8509	21.8056	-20.1409	HAL2	9855	0	0	0	0.09	
-9858	C12	SLES	1	-12.1428	20.1764	-19.4056	CTL3	9855	9859	9860	9861	-0.27	
-9859	H12	SLES	1	-11.8442	19.111	-19.4486	HAL3	9858	0	0	0	0.09	
-9860	H12	SLES	1	-11.8865	20.6224	-18.4248	HAL3	9858	0	0	0	0.09	
-9861	H12	SLES	1	-13.2575	20.1995	-19.4849	HAL3	9858	0	0	0	0.09	
-9862	NA	SLES	1	-29.001	23.6242	-37.597	NA	0	0	0	0	1	
-9863	S	SLES	1	-30.1092	20.912	-36.8285	SL	9864	9865	9866	9867	1.33	
-9864	OS1	SLES	1	-29.0448	21.1777	-35.8458	OSL	9863	9868	0	0	-0.28	
-9865	OS2	SLES	1	-29.1763	21.0653	-37.9226	O2L	9863	0	0	0	-0.65	
-9866	OS3	SLES	1	-30.806	22.1179	-36.4443	O2L	9863	0	0	0	-0.65	
-9867	OS4	SLES	1	-30.6542	19.6217	-36.5126	O2L	9863	0	0	0	-0.65	
-9868	C2	SLES	1	-28.6541	20.3914	-34.7921	CC32A	9864	9869	9870	9871	-0.11	
-9869	H2A	SLES	1	-28.2967	19.3912	-35.1536	HCA2	9868	0	0	0	0.09	
-9870	H2B	SLES	1	-29.4952	20.2523	-34.0622	HCA2	9868	0	0	0	0.09	
-9871	C1	SLES	1	-27.5015	21.218	-34.1824	CC32A	9868	9872	9873	9874	-0.01	
-9872	H1B	SLES	1	-26.6829	21.3774	-34.9313	HCA2	9871	0	0	0	0.09	
-9873	H1A	SLES	1	-27.8675	22.2152	-33.8346	HCA2	9871	0	0	0	0.09	
-9874	O1	SLES	1	-26.8371	20.7182	-33.0675	OC30A	9871	9875	0	0	-0.34	
-9875	C2	SLES	1	-27.2428	19.4598	-32.5608	CC32A	9874	9876	9877	9878	-0.01	
-9876	H2A	SLES	1	-27.1252	18.6619	-33.3489	HCA2	9875	0	0	0	0.09	
-9877	H2B	SLES	1	-28.3092	19.4792	-32.2354	HCA2	9875	0	0	0	0.09	
-9878	C1	SLES	1	-26.0264	19.561	-31.5704	CC32A	9875	9879	9880	9881	-0.01	
-9879	H1B	SLES	1	-25.5918	18.6491	-32.0008	HCA2	9878	0	0	0	0.09	
-9880	H1A	SLES	1	-26.8905	19.5974	-30.8126	HCA2	9878	0	0	0	0.09	
-9881	O1	SLES	1	-25.2891	19.5126	-30.3762	OC30A	9878	9882	0	0	-0.34	
-9882	C1	SLES	1	-25.28	18.296	-29.6429	CTL2	9881	9883	9884	9885	-0.18	
-9883	H11	SLES	1	-25.0837	17.3612	-30.2386	HAL2	9882	0	0	0	0.09	
-9884	H12	SLES	1	-26.2571	18.1504	-29.1171	HAL2	9882	0	0	0	0.09	
-9885	C2	SLES	1	-24.1378	18.6027	-28.6753	CTL2	9882	9886	9887	9888	-0.18	
-9886	H21	SLES	1	-23.1433	18.693	-29.1749	HAL2	9885	0	0	0	0.09	
-9887	H22	SLES	1	-24.3188	19.5171	-28.0593	HAL2	9885	0	0	0	0.09	
-9888	C3	SLES	1	-24.1304	17.4233	-27.7892	CTL2	9885	9889	9890	9891	-0.18	
-9889	H31	SLES	1	-23.9475	16.5502	-28.473	HAL2	9888	0	0	0	0.09	
-9890	H32	SLES	1	-25.1582	17.398	-27.3322	HAL2	9888	0	0	0	0.09	
-9891	C4	SLES	1	-23.156	17.3057	-26.6624	CTL2	9888	9892	9893	9894	-0.18	
-9892	H41	SLES	1	-22.1014	17.3191	-27.033	HAL2	9891	0	0	0	0.09	
-9893	H42	SLES	1	-23.2755	18.1402	-25.9322	HAL2	9891	0	0	0	0.09	
-9894	C5	SLES	1	-23.6098	15.9405	-26.1281	CTL2	9891	9895	9896	9897	-0.18	
-9895	H51	SLES	1	-23.5352	15.1592	-26.9307	HAL2	9894	0	0	0	0.09	
-9896	H52	SLES	1	-24.6941	15.971	-25.8423	HAL2	9894	0	0	0	0.09	
-9897	C6	SLES	1	-22.892	15.4061	-24.9651	CTL2	9894	9898	9899	9900	-0.18	
-9898	H61	SLES	1	-22.5076	14.3953	-25.2706	HAL2	9897	0	0	0	0.09	
-9899	H62	SLES	1	-23.6697	15.2093	-24.1791	HAL2	9897	0	0	0	0.09	
-9900	C7	SLES	1	-21.7566	16.2655	-24.3961	CTL2	9897	9901	9902	9903	-0.18	
-9901	H71	SLES	1	-20.9124	16.4298	-25.1068	HAL2	9900	0	0	0	0.09	
-9902	H72	SLES	1	-22.089	17.2537	-24.0016	HAL2	9900	0	0	0	0.09	
-9903	C8	SLES	1	-21.3288	15.3801	-23.2823	CTL2	9900	9904	9905	9906	-0.18	
-9904	H81	SLES	1	-21.0307	14.4011	-23.7522	HAL2	9903	0	0	0	0.09	
-9905	H82	SLES	1	-22.2333	15.2425	-22.624	HAL2	9903	0	0	0	0.09	
-9906	C9	SLES	1	-20.2084	15.781	-22.3875	CTL2	9903	9907	9908	9909	-0.18	
-9907	H91	SLES	1	-19.2731	15.9106	-22.9767	HAL2	9906	0	0	0	0.09	
-9908	H92	SLES	1	-20.4527	16.7356	-21.8696	HAL2	9906	0	0	0	0.09	
-9909	C10	SLES	1	-20.1671	14.5783	-21.447	CTL2	9906	9910	9911	9912	-0.18	
-9910	H10	SLES	1	-19.9914	13.6382	-22.0366	HAL2	9909	0	0	0	0.09	
-9911	H10	SLES	1	-21.1619	14.4575	-20.9378	HAL2	9909	0	0	0	0.09	
-9912	C11	SLES	1	-19.1216	14.6433	-20.3815	CTL2	9909	9913	9914	9915	-0.18	
-9913	H11	SLES	1	-18.1346	14.7412	-20.8906	HAL2	9912	0	0	0	0.09	
-9914	H11	SLES	1	-19.3119	15.5658	-19.7854	HAL2	9912	0	0	0	0.09	
-9915	C12	SLES	1	-19.1972	13.3793	-19.5204	CTL3	9912	9916	9917	9918	-0.27	
-9916	H12	SLES	1	-18.2446	12.8185	-19.5851	HAL3	9915	0	0	0	0.09	
-9917	H12	SLES	1	-19.4304	13.6481	-18.4717	HAL3	9915	0	0	0	0.09	
-9918	H12	SLES	1	-20.0027	12.6815	-19.8575	HAL3	9915	0	0	0	0.09	
-9919	NA	SLES	1	-36.7926	9.73079	-37.0878	NA	0	0	0	0	1	
-9920	S	SLES	1	-35.751	6.88741	-37.0195	SL	9921	9922	9923	9924	1.33	
-9921	OS1	SLES	1	-35.1679	7.53226	-35.8306	OSL	9920	9925	0	0	-0.28	
-9922	OS2	SLES	1	-35.1646	7.88688	-37.8843	O2L	9920	0	0	0	-0.65	
-9923	OS3	SLES	1	-37.0886	7.18326	-36.5605	O2L	9920	0	0	0	-0.65	
-9924	OS4	SLES	1	-35.268	5.53531	-37.0382	O2L	9920	0	0	0	-0.65	
-9925	C2	SLES	1	-34.356	6.97007	-34.8788	CC32A	9921	9926	9927	9928	-0.11	
-9926	H2A	SLES	1	-33.4067	6.58955	-35.3405	HCA2	9925	0	0	0	0.09	
-9927	H2B	SLES	1	-34.8813	6.13261	-34.3476	HCA2	9925	0	0	0	0.09	
-9928	C1	SLES	1	-34.0886	8.16359	-33.9367	CC32A	9925	9929	9930	9931	-0.01	
-9929	H1B	SLES	1	-33.5933	9.00525	-34.4868	HCA2	9928	0	0	0	0.09	
-9930	H1A	SLES	1	-35.0418	8.53958	-33.4905	HCA2	9928	0	0	0	0.09	
-9931	O1	SLES	1	-33.274	7.9695	-32.8263	OC30A	9928	9932	0	0	-0.34	
-9932	C2	SLES	1	-32.7133	6.68427	-32.6298	CC32A	9931	9933	9934	9935	-0.01	
-9933	H2A	SLES	1	-32.0729	6.39532	-33.5117	HCA2	9932	0	0	0	0.09	
-9934	H2B	SLES	1	-33.5072	5.91151	-32.5026	HCA2	9932	0	0	0	0.09	
-9935	C1	SLES	1	-31.9068	7.31142	-31.4352	CC32A	9932	9936	9937	9938	-0.01	
-9936	H1B	SLES	1	-30.9611	7.06168	-31.9341	HCA2	9935	0	0	0	0.09	
-9937	H1A	SLES	1	-32.5694	6.57585	-30.8502	HCA2	9935	0	0	0	0.09	
-9938	O1	SLES	1	-31.3491	7.46491	-30.1556	OC30A	9935	9939	0	0	-0.34	
-9939	C1	SLES	1	-30.5172	6.42654	-29.6579	CTL2	9938	9940	9941	9942	-0.18	
-9940	H11	SLES	1	-29.7277	6.0446	-30.3637	HAL2	9939	0	0	0	0.09	
-9941	H12	SLES	1	-31.1351	5.54578	-29.3498	HAL2	9939	0	0	0	0.09	
-9942	C2	SLES	1	-29.9052	7.15567	-28.4626	CTL2	9939	9943	9944	9945	-0.18	
-9943	H21	SLES	1	-29.2371	8.00215	-28.752	HAL2	9942	0	0	0	0.09	
-9944	H22	SLES	1	-30.6698	7.52818	-27.7381	HAL2	9942	0	0	0	0.09	
-9945	C3	SLES	1	-29.1017	6.1041	-27.8109	CTL2	9942	9946	9947	9948	-0.18	
-9946	H31	SLES	1	-28.3632	5.7791	-28.5934	HAL2	9945	0	0	0	0.09	
-9947	H32	SLES	1	-29.8381	5.29222	-27.5572	HAL2	9945	0	0	0	0.09	
-9948	C4	SLES	1	-28.3231	6.38224	-26.5661	CTL2	9945	9949	9950	9951	-0.18	
-9949	H41	SLES	1	-27.5599	7.18181	-26.7334	HAL2	9948	0	0	0	0.09	
-9950	H42	SLES	1	-28.9894	6.71028	-25.7341	HAL2	9948	0	0	0	0.09	
-9951	C5	SLES	1	-27.7245	4.98278	-26.3703	CTL2	9948	9952	9953	9954	-0.18	
-9952	H51	SLES	1	-27.1267	4.68092	-27.2711	HAL2	9951	0	0	0	0.09	
-9953	H52	SLES	1	-28.5386	4.21595	-26.2827	HAL2	9951	0	0	0	0.09	
-9954	C6	SLES	1	-26.8479	4.78753	-25.2098	CTL2	9951	9955	9956	9957	-0.18	
-9955	H61	SLES	1	-25.8724	4.40334	-25.6143	HAL2	9954	0	0	0	0.09	
-9956	H62	SLES	1	-27.2882	3.93716	-24.623	HAL2	9954	0	0	0	0.09	
-9957	C7	SLES	1	-26.6152	6.00307	-24.3044	CTL2	9954	9958	9959	9960	-0.18	
-9958	H71	SLES	1	-26.105	6.85553	-24.812	HAL2	9957	0	0	0	0.09	
-9959	H72	SLES	1	-27.5383	6.38325	-23.8084	HAL2	9957	0	0	0	0.09	
-9960	C8	SLES	1	-25.709	5.38021	-23.3052	CTL2	9957	9961	9962	9963	-0.18	
-9961	H81	SLES	1	-24.8164	5.00271	-23.8786	HAL2	9960	0	0	0	0.09	
-9962	H82	SLES	1	-26.2808	4.51988	-22.8543	HAL2	9960	0	0	0	0.09	
-9963	C9	SLES	1	-25.1766	6.1798	-22.1676	CTL2	9960	9964	9965	9966	-0.18	
-9964	H91	SLES	1	-24.5776	7.03747	-22.5475	HAL2	9963	0	0	0	0.09	
-9965	H92	SLES	1	-26.0139	6.56351	-21.5424	HAL2	9963	0	0	0	0.09	
-9966	C10	SLES	1	-24.333	5.12057	-21.4613	CTL2	9963	9967	9968	9969	-0.18	
-9967	H10	SLES	1	-23.5549	4.71972	-22.1657	HAL2	9966	0	0	0	0.09	
-9968	H10	SLES	1	-24.9805	4.24986	-21.168	HAL2	9966	0	0	0	0.09	
-9969	C11	SLES	1	-23.627	5.59024	-20.231	CTL2	9966	9970	9971	9972	-0.18	
-9970	H11	SLES	1	-22.9694	6.43959	-20.5296	HAL2	9969	0	0	0	0.09	
-9971	H11	SLES	1	-24.4036	5.96735	-19.526	HAL2	9969	0	0	0	0.09	
-9972	C12	SLES	1	-22.8257	4.43032	-19.6332	CTL3	9969	9973	9974	9975	-0.27	
-9973	H12	SLES	1	-21.7468	4.67955	-19.6236	HAL3	9972	0	0	0	0.09	
-9974	H12	SLES	1	-23.1908	4.20318	-18.6127	HAL3	9972	0	0	0	0.09	
-9975	H12	SLES	1	-22.9312	3.48896	-20.2266	HAL3	9972	0	0	0	0.09	
-9976	NA	SLES	1	-37.9919	-6.69734	-36.6716	NA	0	0	0	0	1	
-9977	S	SLES	1	-35.3079	-8.00833	-37.1733	SL	9978	9979	9980	9981	1.33	
-9978	OS1	SLES	1	-35.204	-7.4409	-35.8181	OSL	9977	9982	0	0	-0.28	
-9979	OS2	SLES	1	-35.6298	-6.71024	-37.7228	O2L	9977	0	0	0	-0.65	
-9980	OS3	SLES	1	-36.4463	-8.80786	-36.7834	O2L	9977	0	0	0	-0.65	
-9981	OS4	SLES	1	-34.0453	-8.62803	-37.4625	O2L	9977	0	0	0	-0.65	
-9982	C2	SLES	1	-34.1419	-7.51146	-34.9531	CC32A	9978	9983	9984	9985	-0.11	
-9983	H2A	SLES	1	-33.2318	-7.03205	-35.4012	HCA2	9982	0	0	0	0.09	
-9984	H2B	SLES	1	-33.915	-8.57685	-34.683	HCA2	9982	0	0	0	0.09	
-9985	C1	SLES	1	-34.6618	-6.71377	-33.7378	CC32A	9982	9986	9987	9988	-0.01	
-9986	H1B	SLES	1	-34.9153	-5.66125	-34.028	HCA2	9985	0	0	0	0.09	
-9987	H1A	SLES	1	-35.5732	-7.19548	-33.3061	HCA2	9985	0	0	0	0.09	
-9988	O1	SLES	1	-33.8308	-6.56122	-32.6331	OC30A	9985	9989	0	0	-0.34	
-9989	C2	SLES	1	-32.5363	-7.13195	-32.6912	CC32A	9988	9990	9991	9992	-0.01	
-9990	H2A	SLES	1	-31.9532	-6.6979	-33.5533	HCA2	9989	0	0	0	0.09	
-9991	H2B	SLES	1	-32.5873	-8.23825	-32.8219	HCA2	9989	0	0	0	0.09	
-9992	C1	SLES	1	-32.2561	-6.42802	-31.314	CC32A	9989	9993	9994	9995	-0.01	
-9993	H1B	SLES	1	-31.44	-5.85049	-31.7679	HCA2	9992	0	0	0	0.09	
-9994	H1A	SLES	1	-32.1935	-7.52682	-30.9806	HCA2	9992	0	0	0	0.09	
-9995	O1	SLES	1	-31.8319	-6.24383	-29.988	OC30A	9992	9996	0	0	-0.34	
-9996	C1	SLES	1	-30.4766	-6.52913	-29.672	CTL2	9995	9997	9998	9999	-0.18	
-9997	H11	SLES	1	-29.7053	-6.10119	-30.3715	HAL2	9996	0	0	0	0.09	
-9998	H12	SLES	1	-30.3091	-7.63509	-29.6364	HAL2	9996	0	0	0	0.09	
-9999	C2	SLES	1	-30.4077	-5.88467	-28.2882	CTL2	9996	10000	10001	10002	-0.18	
-10000	H21	SLES	1	-30.5136	-4.77336	-28.309	HAL2	9999	0	0	0	0.09	
-10001	H22	SLES	1	-31.1527	-6.30686	-27.5705	HAL2	9999	0	0	0	0.09	
-10002	C3	SLES	1	-29.0502	-6.23431	-27.8287	CTL2	9999	10003	10004	10005	-0.18	
-10003	H31	SLES	1	-28.3618	-5.7828	-28.594	HAL2	10002	0	0	0	0.09	
-10004	H32	SLES	1	-29.021	-7.35893	-27.8408	HAL2	10002	0	0	0	0.09	
-10005	C4	SLES	1	-28.551	-5.80584	-26.487	CTL2	10002	10006	10007	10008	-0.18	
-10006	H41	SLES	1	-28.5443	-4.692	-26.3918	HAL2	10005	0	0	0	0.09	
-10007	H42	SLES	1	-29.1839	-6.21822	-25.6666	HAL2	10005	0	0	0	0.09	
-10008	C5	SLES	1	-27.1519	-6.43113	-26.569	CTL2	10005	10009	10010	10011	-0.18	
-10009	H51	SLES	1	-26.5931	-6.03037	-27.4563	HAL2	10008	0	0	0	0.09	
-10010	H52	SLES	1	-27.2253	-7.53761	-26.7385	HAL2	10008	0	0	0	0.09	
-10011	C6	SLES	1	-26.27	-6.24934	-25.4104	CTL2	10008	10012	10013	10014	-0.18	
-10012	H61	SLES	1	-25.3328	-5.76815	-25.8015	HAL2	10011	0	0	0	0.09	
-10013	H62	SLES	1	-25.9668	-7.27952	-25.0816	HAL2	10011	0	0	0	0.09	
-10014	C7	SLES	1	-26.8335	-5.45092	-24.2286	CTL2	10011	10015	10016	10017	-0.18	
-10015	H71	SLES	1	-27.0795	-4.39075	-24.4738	HAL2	10014	0	0	0	0.09	
-10016	H72	SLES	1	-27.7211	-5.92104	-23.745	HAL2	10014	0	0	0	0.09	
-10017	C8	SLES	1	-25.657	-5.5117	-23.3232	CTL2	10014	10018	10019	10020	-0.18	
-10018	H81	SLES	1	-24.8008	-5.04215	-23.884	HAL2	10017	0	0	0	0.09	
-10019	H82	SLES	1	-25.4562	-6.60564	-23.1405	HAL2	10017	0	0	0	0.09	
-10020	C9	SLES	1	-25.6992	-4.85784	-21.9862	CTL2	10017	10021	10022	10023	-0.18	
-10021	H91	SLES	1	-25.8718	-3.76407	-22.0984	HAL2	10020	0	0	0	0.09	
-10022	H92	SLES	1	-26.5142	-5.29789	-21.3687	HAL2	10020	0	0	0	0.09	
-10023	C10	SLES	1	-24.3021	-5.19864	-21.472	CTL2	10020	10024	10025	10026	-0.18	
-10024	H10	SLES	1	-23.5264	-4.792	-22.1756	HAL2	10023	0	0	0	0.09	
-10025	H10	SLES	1	-24.1644	-6.31402	-21.4512	HAL2	10023	0	0	0	0.09	
-10026	C11	SLES	1	-23.9864	-4.68122	-20.1063	CTL2	10023	10027	10028	10029	-0.18	
-10027	H11	SLES	1	-24.1028	-3.57279	-20.1363	HAL2	10026	0	0	0	0.09	
-10028	H11	SLES	1	-24.7451	-5.10374	-19.4075	HAL2	10026	0	0	0	0.09	
-10029	C12	SLES	1	-22.5626	-5.0958	-19.7245	CTL3	10026	10030	10031	10032	-0.27	
-10030	H12	SLES	1	-21.9376	-4.19717	-19.5575	HAL3	10029	0	0	0	0.09	
-10031	H12	SLES	1	-22.5835	-5.73925	-18.8234	HAL3	10029	0	0	0	0.09	
-10032	H12	SLES	1	-22.0613	-5.68898	-20.5285	HAL3	10029	0	0	0	0.09	
-10033	NA	SLES	1	-31.8053	-22.3732	-36.4203	NA	0	0	0	0	1	
-10034	S	SLES	1	-29.0729	-21.3743	-37.2633	SL	10035	10036	10037	10038	1.33	
-10035	OS1	SLES	1	-29.1293	-21.14	-35.8103	OSL	10034	10039	0	0	-0.28	
-10036	OS2	SLES	1	-30.264	-20.5801	-37.4662	O2L	10034	0	0	0	-0.65	
-10037	OS3	SLES	1	-29.3041	-22.7878	-37.0744	O2L	10034	0	0	0	-0.65	
-10038	OS4	SLES	1	-27.7952	-20.8971	-37.7122	O2L	10034	0	0	0	-0.65	
-10039	C2	SLES	1	-28.1536	-20.6147	-35.0021	CC32A	10035	10040	10041	10042	-0.11	
-10040	H2A	SLES	1	-27.8877	-19.5737	-35.3252	HCA2	10039	0	0	0	0.09	
-10041	H2B	SLES	1	-27.2356	-21.2603	-35.0103	HCA2	10039	0	0	0	0.09	
-10042	C1	SLES	1	-28.8417	-20.6202	-33.62	CC32A	10039	10043	10044	10045	-0.01	
-10043	H1B	SLES	1	-29.7743	-19.9984	-33.6342	HCA2	10042	0	0	0	0.09	
-10044	H1A	SLES	1	-29.1101	-21.6609	-33.3133	HCA2	10042	0	0	0	0.09	
-10045	O1	SLES	1	-28.139	-20.1374	-32.5213	OC30A	10042	10046	0	0	-0.34	
-10046	C2	SLES	1	-26.8289	-19.6444	-32.7345	CC32A	10045	10047	10048	10049	-0.01	
-10047	H2A	SLES	1	-26.8455	-18.7866	-33.4662	HCA2	10046	0	0	0	0.09	
-10048	H2B	SLES	1	-26.1582	-20.4387	-33.1379	HCA2	10046	0	0	0	0.09	
-10049	C1	SLES	1	-26.843	-19.1967	-31.2278	CC32A	10046	10050	10051	10052	-0.01	
-10050	H1B	SLES	1	-26.7115	-18.1496	-31.531	HCA2	10049	0	0	0	0.09	
-10051	H1A	SLES	1	-26.0114	-19.9896	-31.1814	HCA2	10049	0	0	0	0.09	
-10052	O1	SLES	1	-26.4179	-19.0091	-29.9026	OC30A	10049	10053	0	0	-0.34	
-10053	C1	SLES	1	-25.1851	-18.3383	-29.6827	CTL2	10052	10054	10055	10056	-0.18	
-10054	H11	SLES	1	-25.0314	-17.3846	-30.2606	HAL2	10053	0	0	0	0.09	
-10055	H12	SLES	1	-24.3256	-19.012	-29.9275	HAL2	10053	0	0	0	0.09	
-10056	C2	SLES	1	-25.3128	-18.0786	-28.1823	CTL2	10053	10057	10058	10059	-0.18	
-10057	H21	SLES	1	-26.1282	-17.3615	-27.9224	HAL2	10056	0	0	0	0.09	
-10058	H22	SLES	1	-25.4478	-19.0135	-27.5856	HAL2	10056	0	0	0	0.09	
-10059	C3	SLES	1	-24.0101	-17.477	-27.8397	CTL2	10056	10060	10061	10062	-0.18	
-10060	H31	SLES	1	-23.9441	-16.5518	-28.4744	HAL2	10059	0	0	0	0.09	
-10061	H32	SLES	1	-23.2476	-18.2503	-28.1338	HAL2	10059	0	0	0	0.09	
-10062	C4	SLES	1	-23.6889	-17.068	-26.4388	CTL2	10059	10063	10064	10065	-0.18	
-10063	H41	SLES	1	-24.4031	-16.2924	-26.0672	HAL2	10062	0	0	0	0.09	
-10064	H42	SLES	1	-23.7304	-17.9373	-25.7413	HAL2	10062	0	0	0	0.09	
-10065	C5	SLES	1	-22.2708	-16.5377	-26.6899	CTL2	10062	10066	10067	10068	-0.18	
-10066	H51	SLES	1	-22.2877	-15.7157	-27.4541	HAL2	10065	0	0	0	0.09	
-10067	H52	SLES	1	-21.6234	-17.3408	-27.1308	HAL2	10065	0	0	0	0.09	
-10068	C6	SLES	1	-21.5406	-16.0089	-25.5322	CTL2	10065	10069	10070	10071	-0.18	
-10069	H61	SLES	1	-21.2459	-14.9581	-25.8	HAL2	10068	0	0	0	0.09	
-10070	H62	SLES	1	-20.5798	-16.5877	-25.4756	HAL2	10068	0	0	0	0.09	
-10071	C7	SLES	1	-22.267	-16.0378	-24.182	CTL2	10068	10072	10073	10074	-0.18	
-10072	H71	SLES	1	-23.191	-15.4134	-24.1507	HAL2	10071	0	0	0	0.09	
-10073	H72	SLES	1	-22.5163	-17.0631	-23.8223	HAL2	10071	0	0	0	0.09	
-10074	C8	SLES	1	-21.2072	-15.4343	-23.3333	CTL2	10071	10075	10076	10077	-0.18	
-10075	H81	SLES	1	-20.9942	-14.4173	-23.7675	HAL2	10074	0	0	0	0.09	
-10076	H82	SLES	1	-20.3051	-16.1026	-23.433	HAL2	10074	0	0	0	0.09	
-10077	C9	SLES	1	-21.4304	-15.2358	-21.8747	CTL2	10074	10078	10079	10080	-0.18	
-10078	H91	SLES	1	-22.2992	-14.5607	-21.707	HAL2	10077	0	0	0	0.09	
-10079	H92	SLES	1	-21.6227	-16.2137	-21.3787	HAL2	10077	0	0	0	0.09	
-10080	C10	SLES	1	-20.0949	-14.6105	-21.4773	CTL2	10077	10081	10082	10083	-0.18	
-10081	H10	SLES	1	-19.9246	-13.668	-22.0646	HAL2	10080	0	0	0	0.09	
-10082	H10	SLES	1	-19.2536	-15.3087	-21.7385	HAL2	10080	0	0	0	0.09	
-10083	C11	SLES	1	-19.962	-14.2684	-20.0289	CTL2	10080	10084	10085	10086	-0.18	
-10084	H11	SLES	1	-20.7848	-13.559	-19.7786	HAL2	10083	0	0	0	0.09	
-10085	H11	SLES	1	-20.1102	-15.2096	-19.4504	HAL2	10083	0	0	0	0.09	
-10086	C12	SLES	1	-18.582	-13.6538	-19.7785	CTL3	10083	10087	10088	10089	-0.27	
-10087	H12	SLES	1	-18.6906	-12.6196	-19.398	HAL3	10086	0	0	0	0.09	
-10088	H12	SLES	1	-18.0104	-14.2816	-19.0675	HAL3	10086	0	0	0	0.09	
-10089	H12	SLES	1	-17.9689	-13.5887	-20.7109	HAL3	10086	0	0	0	0.09	
-10090	NA	SLES	1	-19.2419	-33.8521	-36.3773	NA	0	0	0	0	1	
-10091	S	SLES	1	-18.1394	-31.1772	-37.2741	SL	10092	10093	10094	10095	1.33	
-10092	OS1	SLES	1	-17.9917	-31.1748	-35.8087	OSL	10091	10096	0	0	-0.28	
-10093	OS2	SLES	1	-19.562	-31.4084	-37.1587	O2L	10091	0	0	0	-0.65	
-10094	OS3	SLES	1	-17.3319	-32.3703	-37.3832	O2L	10091	0	0	0	-0.65	
-10095	OS4	SLES	1	-17.6433	-29.9144	-37.7441	O2L	10091	0	0	0	-0.65	
-10096	C2	SLES	1	-17.4478	-30.1956	-35.0172	CC32A	10092	10097	10098	10099	-0.11	
-10097	H2A	SLES	1	-18.0173	-29.2349	-35.1256	HCA2	10096	0	0	0	0.09	
-10098	H2B	SLES	1	-16.3681	-30.0271	-35.2729	HCA2	10096	0	0	0	0.09	
-10099	C1	SLES	1	-17.6119	-30.7946	-33.6038	CC32A	10096	10100	10101	10102	-0.01	
-10100	H1B	SLES	1	-18.6916	-30.9883	-33.3734	HCA2	10099	0	0	0	0.09	
-10101	H1A	SLES	1	-17.0482	-31.7553	-33.5109	HCA2	10099	0	0	0	0.09	
-10102	O1	SLES	1	-17.1671	-30.0595	-32.5102	OC30A	10099	10103	0	0	-0.34	
-10103	C2	SLES	1	-16.6028	-28.7836	-32.7521	CC32A	10102	10104	10105	10106	-0.01	
-10104	H2A	SLES	1	-17.3504	-28.1136	-33.2657	HCA2	10103	0	0	0	0.09	
-10105	H2B	SLES	1	-15.6955	-28.8579	-33.3962	HCA2	10103	0	0	0	0.09	
-10106	C1	SLES	1	-16.5525	-28.6032	-31.1914	CC32A	10103	10107	10108	10109	-0.01	
-10107	H1B	SLES	1	-17.2175	-27.7325	-31.2642	HCA2	10106	0	0	0	0.09	
-10108	H1A	SLES	1	-15.425	-28.605	-31.4178	HCA2	10106	0	0	0	0.09	
-10109	O1	SLES	1	-16.0594	-28.2915	-29.9141	OC30A	10106	10110	0	0	-0.34	
-10110	C1	SLES	1	-15.5653	-26.979	-29.6882	CTL2	10109	10111	10112	10113	-0.18	
-10111	H11	SLES	1	-16.2177	-26.136	-30.0502	HAL2	10110	0	0	0	0.09	
-10112	H12	SLES	1	-14.5647	-26.8503	-30.1726	HAL2	10110	0	0	0	0.09	
-10113	C2	SLES	1	-15.4743	-27.0114	-28.1632	CTL2	10110	10114	10115	10116	-0.18	
-10114	H21	SLES	1	-16.4683	-27.0799	-27.6592	HAL2	10113	0	0	0	0.09	
-10115	H22	SLES	1	-14.8165	-27.8295	-27.7807	HAL2	10113	0	0	0	0.09	
-10116	C3	SLES	1	-14.8558	-25.7113	-27.8418	CTL2	10113	10117	10118	10119	-0.18	
-10117	H31	SLES	1	-15.5657	-24.9443	-28.2556	HAL2	10116	0	0	0	0.09	
-10118	H32	SLES	1	-13.8709	-25.7167	-28.3856	HAL2	10116	0	0	0	0.09	
-10119	C4	SLES	1	-14.5648	-25.3185	-26.4297	CTL2	10116	10120	10121	10122	-0.18	
-10120	H41	SLES	1	-15.4985	-25.2849	-25.8158	HAL2	10119	0	0	0	0.09	
-10121	H42	SLES	1	-13.8594	-26.0338	-25.9454	HAL2	10119	0	0	0	0.09	
-10122	C5	SLES	1	-13.9565	-23.9381	-26.7121	CTL2	10119	10123	10124	10125	-0.18	
-10123	H51	SLES	1	-14.6884	-23.2912	-27.2651	HAL2	10122	0	0	0	0.09	
-10124	H52	SLES	1	-13.069	-24.0314	-27.3917	HAL2	10122	0	0	0	0.09	
-10125	C6	SLES	1	-13.5085	-23.156	-25.5541	CTL2	10122	10126	10127	10128	-0.18	
-10126	H61	SLES	1	-14.0507	-22.1733	-25.6101	HAL2	10125	0	0	0	0.09	
-10127	H62	SLES	1	-12.4267	-22.9156	-25.7368	HAL2	10125	0	0	0	0.09	
-10128	C7	SLES	1	-13.6921	-23.7955	-24.1725	CTL2	10125	10129	10130	10131	-0.18	
-10129	H71	SLES	1	-14.7567	-23.9854	-23.8986	HAL2	10128	0	0	0	0.09	
-10130	H72	SLES	1	-13.1124	-24.7366	-24.0271	HAL2	10128	0	0	0	0.09	
-10131	C8	SLES	1	-13.1297	-22.7056	-23.3338	CTL2	10128	10132	10133	10134	-0.18	
-10132	H81	SLES	1	-13.7474	-21.789	-23.5492	HAL2	10131	0	0	0	0.09	
-10133	H82	SLES	1	-12.068	-22.5564	-23.6814	HAL2	10131	0	0	0	0.09	
-10134	C9	SLES	1	-13.0768	-22.8444	-21.8523	CTL2	10131	10135	10136	10137	-0.18	
-10135	H91	SLES	1	-14.1031	-22.9717	-21.4411	HAL2	10134	0	0	0	0.09	
-10136	H92	SLES	1	-12.4554	-23.724	-21.5706	HAL2	10134	0	0	0	0.09	
-10137	C10	SLES	1	-12.4375	-21.5093	-21.4763	CTL2	10134	10138	10139	10140	-0.18	
-10138	H10	SLES	1	-13.0728	-20.6623	-21.8519	HAL2	10137	0	0	0	0.09	
-10139	H10	SLES	1	-11.4376	-21.4093	-21.9801	HAL2	10137	0	0	0	0.09	
-10140	C11	SLES	1	-12.2261	-21.2985	-20.0122	CTL2	10137	10141	10142	10143	-0.18	
-10141	H11	SLES	1	-13.2227	-21.3766	-19.5185	HAL2	10140	0	0	0	0.09	
-10142	H11	SLES	1	-11.5779	-22.1286	-19.6473	HAL2	10140	0	0	0	0.09	
-10143	C12	SLES	1	-11.5826	-19.9275	-19.7859	CTL3	10140	10144	10145	10146	-0.27	
-10144	H12	SLES	1	-12.2502	-19.2914	-19.1729	HAL3	10143	0	0	0	0.09	
-10145	H12	SLES	1	-10.5934	-20.0479	-19.3027	HAL3	10143	0	0	0	0.09	
-10146	H12	SLES	1	-11.4055	-19.3767	-20.7422	HAL3	10143	0	0	0	0.09	
-10147	NA	SLES	1	-2.97926	-38.6126	-36.5501	NA	0	0	0	0	1	
-10148	S	SLES	1	-4.2014	-35.9194	-37.2036	SL	10149	10150	10151	10152	1.33	
-10149	OS1	SLES	1	-3.73164	-35.7939	-35.8134	OSL	10148	10153	0	0	-0.28	
-10150	OS2	SLES	1	-5.02208	-37.0572	-36.8536	O2L	10148	0	0	0	-0.65	
-10151	OS3	SLES	1	-2.86795	-36.2421	-37.6564	O2L	10148	0	0	0	-0.65	
-10152	OS4	SLES	1	-4.80727	-34.6652	-37.5526	O2L	10148	0	0	0	-0.65	
-10153	C2	SLES	1	-3.79953	-34.6947	-34.9959	CC32A	10149	10154	10155	10156	-0.11	
-10154	H2A	SLES	1	-4.86553	-34.3828	-34.8369	HCA2	10153	0	0	0	0.09	
-10155	H2B	SLES	1	-3.2142	-33.8389	-35.4254	HCA2	10153	0	0	0	0.09	
-10156	C1	SLES	1	-3.16355	-35.2224	-33.6918	CC32A	10153	10157	10158	10159	-0.01	
-10157	H1B	SLES	1	-3.73855	-36.097	-33.2909	HCA2	10156	0	0	0	0.09	
-10158	H1A	SLES	1	-2.10552	-35.5385	-33.8647	HCA2	10156	0	0	0	0.09	
-10159	O1	SLES	1	-3.06368	-34.3645	-32.6018	OC30A	10156	10160	0	0	-0.34	
-10160	C2	SLES	1	-3.57296	-33.0507	-32.7411	CC32A	10159	10161	10162	10163	-0.01	
-10161	H2A	SLES	1	-4.67319	-33.0791	-32.9863	HCA2	10160	0	0	0	0.09	
-10162	H2B	SLES	1	-3.04544	-32.496	-33.5521	HCA2	10160	0	0	0	0.09	
-10163	C1	SLES	1	-3.26599	-32.8601	-31.2113	CC32A	10160	10164	10165	10166	-0.01	
-10164	H1B	SLES	1	-4.33072	-32.6786	-31.0137	HCA2	10163	0	0	0	0.09	
-10165	H1A	SLES	1	-2.52673	-32.0957	-31.6489	HCA2	10163	0	0	0	0.09	
-10166	O1	SLES	1	-2.8051	-32.2759	-30.0204	OC30A	10163	10167	0	0	-0.34	
-10167	C1	SLES	1	-3.27096	-30.9759	-29.6874	CTL2	10166	10168	10169	10170	-0.18	
-10168	H11	SLES	1	-4.3809	-30.8106	-29.7768	HAL2	10167	0	0	0	0.09	
-10169	H12	SLES	1	-2.77234	-30.2067	-30.3295	HAL2	10167	0	0	0	0.09	
-10170	C2	SLES	1	-2.80306	-30.9136	-28.2341	CTL2	10167	10171	10172	10173	-0.18	
-10171	H21	SLES	1	-3.33214	-31.634	-27.5649	HAL2	10170	0	0	0	0.09	
-10172	H22	SLES	1	-1.70066	-31.0568	-28.1221	HAL2	10170	0	0	0	0.09	
-10173	C3	SLES	1	-3.1491	-29.5363	-27.8348	CTL2	10170	10174	10175	10176	-0.18	
-10174	H31	SLES	1	-4.26212	-29.4666	-27.9752	HAL2	10173	0	0	0	0.09	
-10175	H32	SLES	1	-2.5874	-28.8768	-28.5527	HAL2	10173	0	0	0	0.09	
-10176	C4	SLES	1	-2.85069	-29.0286	-26.4614	CTL2	10173	10177	10178	10179	-0.18	
-10177	H41	SLES	1	-3.37738	-29.6315	-25.6811	HAL2	10176	0	0	0	0.09	
-10178	H42	SLES	1	-1.75739	-29.0625	-26.2436	HAL2	10176	0	0	0	0.09	
-10179	C5	SLES	1	-3.40841	-27.609	-26.6316	CTL2	10176	10180	10181	10182	-0.18	
-10180	H51	SLES	1	-4.4922	-27.6442	-26.9218	HAL2	10179	0	0	0	0.09	
-10181	H52	SLES	1	-2.89113	-27.0823	-27.4762	HAL2	10179	0	0	0	0.09	
-10182	C6	SLES	1	-3.3212	-26.7136	-25.4724	CTL2	10179	10183	10184	10185	-0.18	
-10183	H61	SLES	1	-4.3695	-26.3662	-25.2644	HAL2	10182	0	0	0	0.09	
-10184	H62	SLES	1	-2.76388	-25.8027	-25.8202	HAL2	10182	0	0	0	0.09	
-10185	C7	SLES	1	-2.68011	-27.2846	-24.2018	CTL2	10182	10186	10187	10188	-0.18	
-10186	H71	SLES	1	-3.2361	-28.1455	-23.761	HAL2	10185	0	0	0	0.09	
-10187	H72	SLES	1	-1.61068	-27.5748	-24.3238	HAL2	10185	0	0	0	0.09	
-10188	C8	SLES	1	-2.79659	-26.0912	-23.3245	CTL2	10185	10189	10190	10191	-0.18	
-10189	H81	SLES	1	-3.89419	-25.8461	-23.2668	HAL2	10188	0	0	0	0.09	
-10190	H82	SLES	1	-2.23419	-25.2631	-23.8426	HAL2	10188	0	0	0	0.09	
-10191	C9	SLES	1	-2.29594	-26.1333	-21.9229	CTL2	10188	10192	10193	10194	-0.18	
-10192	H91	SLES	1	-2.83198	-26.9202	-21.3466	HAL2	10191	0	0	0	0.09	
-10193	H92	SLES	1	-1.20368	-26.3479	-21.9112	HAL2	10191	0	0	0	0.09	
-10194	C10	SLES	1	-2.63675	-24.7154	-21.4691	CTL2	10191	10195	10196	10197	-0.18	
-10195	H10	SLES	1	-3.74079	-24.5357	-21.5742	HAL2	10194	0	0	0	0.09	
-10196	H10	SLES	1	-2.12446	-23.9681	-22.1343	HAL2	10194	0	0	0	0.09	
-10197	C11	SLES	1	-2.26072	-24.3943	-20.0591	CTL2	10194	10198	10199	10200	-0.18	
-10198	H11	SLES	1	-2.78771	-25.1236	-19.4008	HAL2	10197	0	0	0	0.09	
-10199	H11	SLES	1	-1.16151	-24.553	-19.9642	HAL2	10197	0	0	0	0.09	
-10200	C12	SLES	1	-2.65988	-22.9496	-19.7453	CTL3	10197	10201	10202	10203	-0.27	
-10201	H12	SLES	1	-3.39894	-22.9306	-18.921	HAL3	10200	0	0	0	0.09	
-10202	H12	SLES	1	-1.76155	-22.3551	-19.4883	HAL3	10200	0	0	0	0.09	
-10203	H12	SLES	1	-3.14018	-22.4411	-20.6172	HAL3	10200	0	0	0	0.09	
-10204	NA	SLES	1	13.434	-35.8483	-36.9088	NA	0	0	0	0	1	
-10205	S	SLES	1	10.609	-34.7667	-37.0642	SL	10206	10207	10208	10209	1.33	
-10206	OS1	SLES	1	11.1635	-34.1986	-35.8236	OSL	10205	10210	0	0	-0.28	
-10207	OS2	SLES	1	10.88	-36.1102	-36.6036	O2L	10205	0	0	0	-0.65	
-10208	OS3	SLES	1	11.6629	-34.1633	-37.8468	O2L	10205	0	0	0	-0.65	
-10209	OS4	SLES	1	9.25775	-34.2928	-37.1709	O2L	10205	0	0	0	-0.65	
-10210	C2	SLES	1	10.5545	-33.3426	-34.9419	CC32A	10206	10211	10212	10213	-0.11	
-10211	H2A	SLES	1	9.63033	-33.809	-34.5091	HCA2	10210	0	0	0	0.09	
-10212	H2B	SLES	1	10.2913	-32.3728	-35.4415	HCA2	10210	0	0	0	0.09	
-10213	C1	SLES	1	11.6483	-33.1524	-33.869	CC32A	10210	10214	10215	10216	-0.01	
-10214	H1B	SLES	1	11.9251	-34.1324	-33.4007	HCA2	10213	0	0	0	0.09	
-10215	H1A	SLES	1	12.5666	-32.696	-34.3135	HCA2	10213	0	0	0	0.09	
-10216	O1	SLES	1	11.3809	-32.3294	-32.7802	OC30A	10213	10217	0	0	-0.34	
-10217	C2	SLES	1	10.1038	-31.7228	-32.7033	CC32A	10216	10218	10219	10220	-0.01	
-10218	H2A	SLES	1	9.29578	-32.5088	-32.6764	HCA2	10217	0	0	0	0.09	
-10219	H2B	SLES	1	9.91872	-31.0569	-33.5785	HCA2	10217	0	0	0	0.09	
-10220	C1	SLES	1	10.531	-31.1996	-31.2839	CC32A	10217	10221	10222	10223	-0.01	
-10221	H1B	SLES	1	9.70451	-31.7564	-30.8229	HCA2	10220	0	0	0	0.09	
-10222	H1A	SLES	1	10.4359	-30.1947	-31.8348	HCA2	10220	0	0	0	0.09	
-10223	O1	SLES	1	10.7247	-30.324	-30.2033	OC30A	10220	10224	0	0	-0.34	
-10224	C1	SLES	1	9.59258	-29.6435	-29.6806	CTL2	10223	10225	10226	10227	-0.18	
-10225	H11	SLES	1	8.68143	-30.2758	-29.4875	HAL2	10224	0	0	0	0.09	
-10226	H12	SLES	1	9.27971	-28.82	-30.3709	HAL2	10224	0	0	0	0.09	
-10227	C2	SLES	1	10.2026	-29.1157	-28.3829	CTL2	10224	10228	10229	10230	-0.18	
-10228	H21	SLES	1	10.4671	-29.9206	-27.6557	HAL2	10227	0	0	0	0.09	
-10229	H22	SLES	1	11.0985	-28.4695	-28.5507	HAL2	10227	0	0	0	0.09	
-10230	C3	SLES	1	9.11709	-28.2905	-27.8198	CTL2	10227	10231	10232	10233	-0.18	
-10231	H31	SLES	1	8.25705	-29.0009	-27.6818	HAL2	10230	0	0	0	0.09	
-10232	H32	SLES	1	8.90582	-27.514	-28.6061	HAL2	10230	0	0	0	0.09	
-10233	C4	SLES	1	9.28902	-27.5586	-26.5284	CTL2	10230	10234	10235	10236	-0.18	
-10234	H41	SLES	1	9.5005	-28.2628	-25.6863	HAL2	10233	0	0	0	0.09	
-10235	H42	SLES	1	10.1282	-26.8262	-26.5843	HAL2	10233	0	0	0	0.09	
-10236	C5	SLES	1	7.89955	-26.9104	-26.4626	CTL2	10233	10237	10238	10239	-0.18	
-10237	H51	SLES	1	7.09763	-27.6956	-26.4836	HAL2	10236	0	0	0	0.09	
-10238	H52	SLES	1	7.71864	-26.2758	-27.3697	HAL2	10236	0	0	0	0.09	
-10239	C6	SLES	1	7.61331	-26.0604	-25.3012	CTL2	10236	10240	10241	10242	-0.18	
-10240	H61	SLES	1	6.6885	-26.4832	-24.8229	HAL2	10239	0	0	0	0.09	
-10241	H62	SLES	1	7.31133	-25.0594	-25.7113	HAL2	10239	0	0	0	0.09	
-10242	C7	SLES	1	8.73252	-25.9024	-24.2649	CTL2	10239	10243	10244	10245	-0.18	
-10243	H71	SLES	1	9.02232	-26.855	-23.7617	HAL2	10242	0	0	0	0.09	
-10244	H72	SLES	1	9.65258	-25.4134	-24.6612	HAL2	10242	0	0	0	0.09	
-10245	C8	SLES	1	8.03899	-25.0029	-23.307	CTL2	10242	10246	10247	10248	-0.18	
-10246	H81	SLES	1	7.11526	-25.5512	-22.9692	HAL2	10245	0	0	0	0.09	
-10247	H82	SLES	1	7.75868	-24.079	-23.8887	HAL2	10245	0	0	0	0.09	
-10248	C9	SLES	1	8.73103	-24.5357	-22.0743	CTL2	10245	10249	10250	10251	-0.18	
-10249	H91	SLES	1	9.01495	-25.4049	-21.4398	HAL2	10248	0	0	0	0.09	
-10250	H92	SLES	1	9.64579	-23.9604	-22.3416	HAL2	10248	0	0	0	0.09	
-10251	C10	SLES	1	7.63389	-23.6709	-21.457	CTL2	10248	10252	10253	10254	-0.18	
-10252	H10	SLES	1	6.71363	-24.2905	-21.2796	HAL2	10251	0	0	0	0.09	
-10253	H10	SLES	1	7.34025	-22.857	-22.1745	HAL2	10251	0	0	0	0.09	
-10254	C11	SLES	1	7.99464	-23.0197	-20.1616	CTL2	10251	10255	10256	10257	-0.18	
-10255	H11	SLES	1	8.26426	-23.831	-19.446	HAL2	10254	0	0	0	0.09	
-10256	H11	SLES	1	8.89507	-22.3891	-20.3462	HAL2	10254	0	0	0	0.09	
-10257	C12	SLES	1	6.80727	-22.1906	-19.6639	CTL3	10254	10258	10259	10260	-0.27	
-10258	H12	SLES	1	6.45889	-22.5757	-18.6859	HAL3	10257	0	0	0	0.09	
-10259	H12	SLES	1	7.09336	-21.1231	-19.5923	HAL3	10257	0	0	0	0.09	
-10260	H12	SLES	1	5.93207	-22.2405	-20.3573	HAL3	10257	0	0	0	0.09	
-10261	NA	SLES	1	26.6791	-26.5956	-37.3913	NA	0	0	0	0	1	
-10262	S	SLES	1	23.9066	-27.7027	-36.8799	SL	10263	10264	10265	10266	1.33	
-10263	OS1	SLES	1	24.1037	-26.6807	-35.8377	OSL	10262	10267	0	0	-0.28	
-10264	OS2	SLES	1	25.0935	-28.4088	-36.4519	O2L	10262	0	0	0	-0.65	
-10265	OS3	SLES	1	24.1182	-26.724	-37.9214	O2L	10262	0	0	0	-0.65	
-10266	OS4	SLES	1	22.6051	-28.2701	-36.6649	O2L	10262	0	0	0	-0.65	
-10267	C2	SLES	1	23.2211	-26.2872	-34.8644	CC32A	10263	10268	10269	10270	-0.11	
-10268	H2A	SLES	1	22.9528	-27.1497	-34.1988	HCA2	10267	0	0	0	0.09	
-10269	H2B	SLES	1	22.2902	-25.8549	-35.3184	HCA2	10267	0	0	0	0.09	
-10270	C1	SLES	1	24.0344	-25.2173	-34.1046	CC32A	10267	10271	10272	10273	-0.01	
-10271	H1B	SLES	1	24.977	-25.6542	-33.6841	HCA2	10270	0	0	0	0.09	
-10272	H1A	SLES	1	24.3035	-24.3682	-34.7798	HCA2	10270	0	0	0	0.09	
-10273	O1	SLES	1	23.4493	-24.5819	-33.0146	OC30A	10270	10274	0	0	-0.34	
-10274	C2	SLES	1	22.1381	-24.9679	-32.6452	CC32A	10273	10275	10276	10277	-0.01	
-10275	H2A	SLES	1	22.1084	-26.0658	-32.3896	HCA2	10274	0	0	0	0.09	
-10276	H2B	SLES	1	21.4128	-24.7787	-33.4709	HCA2	10274	0	0	0	0.09	
-10277	C1	SLES	1	22.3036	-24.0274	-31.3967	CC32A	10274	10278	10279	10280	-0.01	
-10278	H1B	SLES	1	22.1711	-24.8856	-30.7247	HCA2	10277	0	0	0	0.09	
-10279	H1A	SLES	1	21.4599	-23.469	-31.9433	HCA2	10277	0	0	0	0.09	
-10280	O1	SLES	1	22.0084	-23.0515	-30.431	OC30A	10277	10281	0	0	-0.34	
-10281	C1	SLES	1	20.8189	-23.2008	-29.669	CTL2	10280	10282	10283	10284	-0.18	
-10282	H11	SLES	1	20.6364	-24.2223	-29.2325	HAL2	10281	0	0	0	0.09	
-10283	H12	SLES	1	19.9235	-22.9449	-30.2897	HAL2	10281	0	0	0	0.09	
-10284	C2	SLES	1	21.092	-22.1603	-28.5837	CTL2	10281	10285	10286	10287	-0.18	
-10285	H21	SLES	1	21.9461	-22.4273	-27.9159	HAL2	10284	0	0	0	0.09	
-10286	H22	SLES	1	21.2582	-21.1339	-28.9925	HAL2	10284	0	0	0	0.09	
-10287	C3	SLES	1	19.8426	-22.1659	-27.7995	CTL2	10284	10288	10289	10290	-0.18	
-10288	H31	SLES	1	19.7414	-23.2212	-27.4261	HAL2	10287	0	0	0	0.09	
-10289	H32	SLES	1	19.0366	-21.8961	-28.5367	HAL2	10287	0	0	0	0.09	
-10290	C4	SLES	1	19.6636	-21.2672	-26.6191	CTL2	10287	10291	10292	10293	-0.18	
-10291	H41	SLES	1	20.4288	-21.4734	-25.8306	HAL2	10290	0	0	0	0.09	
-10292	H42	SLES	1	19.7476	-20.1934	-26.9086	HAL2	10290	0	0	0	0.09	
-10293	C5	SLES	1	18.2422	-21.6994	-26.2341	CTL2	10290	10294	10295	10296	-0.18	
-10294	H51	SLES	1	18.2089	-22.802	-26.0264	HAL2	10293	0	0	0	0.09	
-10295	H52	SLES	1	17.5364	-21.5363	-27.0906	HAL2	10293	0	0	0	0.09	
-10296	C6	SLES	1	17.6365	-21.0424	-25.0701	CTL2	10293	10297	10298	10299	-0.18	
-10297	H61	SLES	1	17.345	-21.8648	-24.3618	HAL2	10296	0	0	0	0.09	
-10298	H62	SLES	1	16.6707	-20.5954	-25.4289	HAL2	10296	0	0	0	0.09	
-10299	C7	SLES	1	18.4843	-19.9863	-24.3508	CTL2	10296	10300	10301	10302	-0.18	
-10300	H71	SLES	1	19.4228	-20.3879	-23.9007	HAL2	10299	0	0	0	0.09	
-10301	H72	SLES	1	18.7398	-19.103	-24.9809	HAL2	10299	0	0	0	0.09	
-10302	C8	SLES	1	17.5237	-19.602	-23.2845	CTL2	10299	10303	10304	10305	-0.18	
-10303	H81	SLES	1	17.2972	-20.5423	-22.7078	HAL2	10302	0	0	0	0.09	
-10304	H82	SLES	1	16.5995	-19.2304	-23.8119	HAL2	10302	0	0	0	0.09	
-10305	C9	SLES	1	17.8866	-18.5642	-22.2803	CTL2	10302	10306	10307	10308	-0.18	
-10306	H91	SLES	1	18.7841	-18.8833	-21.7047	HAL2	10305	0	0	0	0.09	
-10307	H92	SLES	1	18.0992	-17.5964	-22.7875	HAL2	10305	0	0	0	0.09	
-10308	C10	SLES	1	16.6101	-18.538	-21.4421	CTL2	10305	10309	10310	10311	-0.18	
-10309	H10	SLES	1	16.41	-19.5594	-21.019	HAL2	10308	0	0	0	0.09	
-10310	H10	SLES	1	15.7307	-18.2818	-22.0936	HAL2	10308	0	0	0	0.09	
-10311	C11	SLES	1	16.6212	-17.5727	-20.3017	CTL2	10308	10312	10313	10314	-0.18	
-10312	H11	SLES	1	17.4815	-17.8433	-19.6462	HAL2	10311	0	0	0	0.09	
-10313	H11	SLES	1	16.7986	-16.5579	-20.7274	HAL2	10311	0	0	0	0.09	
-10314	C12	SLES	1	15.2865	-17.6554	-19.5556	CTL3	10311	10315	10316	10317	-0.27	
-10315	H12	SLES	1	15.4563	-17.9722	-18.5082	HAL3	10314	0	0	0	0.09	
-10316	H12	SLES	1	14.7677	-16.6778	-19.5967	HAL3	10314	0	0	0	0.09	
-10317	H12	SLES	1	14.5912	-18.4048	-20.0076	HAL3	10314	0	0	0	0.09	
-10318	NA	SLES	1	34.5595	-13.1853	-37.9143	NA	0	0	0	0	1	
-10319	S	SLES	1	33.349	-15.6736	-36.6826	SL	10320	10321	10322	10323	1.33	
-10320	OS1	SLES	1	32.8535	-14.5619	-35.8532	OSL	10319	10324	0	0	-0.28	
-10321	OS2	SLES	1	34.7197	-15.2925	-36.4247	O2L	10319	0	0	0	-0.65	
-10322	OS3	SLES	1	32.7634	-15.0899	-37.8674	O2L	10319	0	0	0	-0.65	
-10323	OS4	SLES	1	32.8121	-16.8818	-36.1223	O2L	10319	0	0	0	-0.65	
-10324	C2	SLES	1	32.0056	-14.6251	-34.777	CC32A	10320	10325	10326	10327	-0.11	
-10325	H2A	SLES	1	32.4468	-15.2546	-33.9597	HCA2	10324	0	0	0	0.09	
-10326	H2B	SLES	1	31.0068	-15.0395	-35.0773	HCA2	10324	0	0	0	0.09	
-10327	C1	SLES	1	31.9048	-13.1426	-34.3579	CC32A	10324	10328	10329	10330	-0.01	
-10328	H1B	SLES	1	32.9132	-12.7319	-34.0918	HCA2	10327	0	0	0	0.09	
-10329	H1A	SLES	1	31.4729	-12.5244	-35.1828	HCA2	10327	0	0	0	0.09	
-10330	O1	SLES	1	31.1128	-12.8092	-33.2644	OC30A	10327	10331	0	0	-0.34	
-10331	C2	SLES	1	30.4537	-13.857	-32.577	CC32A	10330	10332	10333	10334	-0.01	
-10332	H2A	SLES	1	31.2037	-14.5971	-32.1755	HCA2	10331	0	0	0	0.09	
-10333	H2B	SLES	1	29.7475	-14.3998	-33.248	HCA2	10331	0	0	0	0.09	
-10334	C1	SLES	1	30.0043	-12.7739	-31.5302	CC32A	10331	10335	10336	10337	-0.01	
-10335	H1B	SLES	1	30.5411	-13.3095	-30.736	HCA2	10334	0	0	0	0.09	
-10336	H1A	SLES	1	28.9759	-13.0635	-31.9557	HCA2	10334	0	0	0	0.09	
-10337	O1	SLES	1	29.1798	-12.0374	-30.6643	OC30A	10334	10338	0	0	-0.34	
-10338	C1	SLES	1	28.4703	-12.7408	-29.6544	CTL2	10337	10339	10340	10341	-0.18	
-10339	H11	SLES	1	29.0686	-13.483	-29.0557	HAL2	10338	0	0	0	0.09	
-10340	H12	SLES	1	27.6081	-13.2981	-30.0999	HAL2	10338	0	0	0	0.09	
-10341	C2	SLES	1	28.0197	-11.5554	-28.802	CTL2	10338	10342	10343	10344	-0.18	
-10342	H21	SLES	1	28.8625	-11.0217	-28.3006	HAL2	10341	0	0	0	0.09	
-10343	H22	SLES	1	27.4079	-10.8137	-29.3711	HAL2	10341	0	0	0	0.09	
-10344	C3	SLES	1	27.1693	-12.1903	-27.7773	CTL2	10341	10345	10346	10347	-0.18	
-10345	H31	SLES	1	27.8457	-12.9185	-27.2523	HAL2	10344	0	0	0	0.09	
-10346	H32	SLES	1	26.355	-12.7073	-28.3564	HAL2	10344	0	0	0	0.09	
-10347	C4	SLES	1	26.4954	-11.3803	-26.7177	CTL2	10344	10348	10349	10350	-0.18	
-10348	H41	SLES	1	27.2398	-10.8324	-26.0889	HAL2	10347	0	0	0	0.09	
-10349	H42	SLES	1	25.7992	-10.6298	-27.1604	HAL2	10347	0	0	0	0.09	
-10350	C5	SLES	1	25.7894	-12.5295	-25.9856	CTL2	10347	10351	10352	10353	-0.18	
-10351	H51	SLES	1	26.5369	-13.2871	-25.6291	HAL2	10350	0	0	0	0.09	
-10352	H52	SLES	1	25.1133	-13.0857	-26.6871	HAL2	10350	0	0	0	0.09	
-10353	C6	SLES	1	24.9723	-12.1764	-24.819	CTL2	10350	10354	10355	10356	-0.18	
-10354	H61	SLES	1	25.3717	-12.7822	-23.9609	HAL2	10353	0	0	0	0.09	
-10355	H62	SLES	1	23.944	-12.5801	-25.0218	HAL2	10353	0	0	0	0.09	
-10356	C7	SLES	1	24.9034	-10.6909	-24.4447	CTL2	10353	10357	10358	10359	-0.18	
-10357	H71	SLES	1	25.8864	-10.2506	-24.1538	HAL2	10356	0	0	0	0.09	
-10358	H72	SLES	1	24.4409	-10.0463	-25.2277	HAL2	10356	0	0	0	0.09	
-10359	C8	SLES	1	24.0112	-10.7893	-23.2607	CTL2	10356	10360	10361	10362	-0.18	
-10360	H81	SLES	1	24.5307	-11.4685	-22.5279	HAL2	10359	0	0	0	0.09	
-10361	H82	SLES	1	23.0545	-11.2605	-23.6254	HAL2	10359	0	0	0	0.09	
-10362	C9	SLES	1	23.6223	-9.56657	-22.5054	CTL2	10359	10363	10364	10365	-0.18	
-10363	H91	SLES	1	24.5267	-9.06385	-22.0954	HAL2	10362	0	0	0	0.09	
-10364	H92	SLES	1	23.0783	-8.85997	-23.1716	HAL2	10362	0	0	0	0.09	
-10365	C10	SLES	1	22.734	-10.1835	-21.427	CTL2	10362	10366	10367	10368	-0.18	
-10366	H10	SLES	1	23.3186	-10.9405	-20.8375	HAL2	10365	0	0	0	0.09	
-10367	H10	SLES	1	21.8811	-10.7376	-21.9057	HAL2	10365	0	0	0	0.09	
-10368	C11	SLES	1	22.149	-9.21062	-20.4555	CTL2	10365	10369	10370	10371	-0.18	
-10369	H11	SLES	1	22.9982	-8.67837	-19.9669	HAL2	10368	0	0	0	0.09	
-10370	H11	SLES	1	21.5523	-8.47389	-21.0417	HAL2	10368	0	0	0	0.09	
-10371	C12	SLES	1	21.2878	-9.96584	-19.4392	CTL3	10368	10372	10373	10374	-0.27	
-10372	H12	SLES	1	21.694	-9.82537	-18.4187	HAL3	10371	0	0	0	0.09	
-10373	H12	SLES	1	20.2375	-9.62004	-19.5006	HAL3	10371	0	0	0	0.09	
-10374	H12	SLES	1	21.2726	-11.0674	-19.6285	HAL3	10371	0	0	0	0.09	
-10375	NA	SLES	1	22.2983	1.64418	-46.1043	NA	0	0	0	0	1	
-10376	S	SLES	1	23.5118	-0.607557	-44.4822	SL	10377	10378	10379	10380	1.33	
-10377	OS1	SLES	1	22.5636	0.0495181	-43.5665	OSL	10376	10381	0	0	-0.28	
-10378	OS2	SLES	1	24.2159	0.637759	-44.6921	O2L	10376	0	0	0	-0.65	
-10379	OS3	SLES	1	22.4548	-0.880562	-45.4285	O2L	10376	0	0	0	-0.65	
-10380	OS4	SLES	1	24.1272	-1.67631	-43.7467	O2L	10376	0	0	0	-0.65	
-10381	C2	SLES	1	22.2651	-0.293442	-42.2725	CC32A	10377	10382	10383	10384	-0.11	
-10382	H2A	SLES	1	23.1805	-0.239842	-41.6258	HCA2	10381	0	0	0	0.09	
-10383	H2B	SLES	1	21.8255	-1.32482	-42.2223	HCA2	10381	0	0	0	0.09	
-10384	C1	SLES	1	21.2324	0.785828	-41.8824	CC32A	10381	10385	10386	10387	-0.01	
-10385	H1B	SLES	1	21.6739	1.81251	-41.968	HCA2	10384	0	0	0	0.09	
-10386	H1A	SLES	1	20.3297	0.728524	-42.539	HCA2	10384	0	0	0	0.09	
-10387	O1	SLES	1	20.6935	0.763312	-40.6006	OC30A	10384	10388	0	0	-0.34	
-10388	C2	SLES	1	21.1396	-0.242648	-39.7096	CC32A	10387	10389	10390	10391	-0.01	
-10389	H2A	SLES	1	22.2535	-0.164001	-39.5531	HCA2	10388	0	0	0	0.09	
-10390	H2B	SLES	1	20.9098	-1.26114	-40.1013	HCA2	10388	0	0	0	0.09	
-10391	C1	SLES	1	20.2883	0.478817	-38.6024	CC32A	10388	10392	10393	10394	-0.01	
-10392	H1B	SLES	1	21.1963	0.65649	-38.0111	HCA2	10391	0	0	0	0.09	
-10393	H1A	SLES	1	19.7139	-0.515444	-38.6643	HCA2	10391	0	0	0	0.09	
-10394	O1	SLES	1	19.3933	0.661847	-37.5359	OC30A	10391	10395	0	0	-0.34	
-10395	C1	SLES	1	19.6287	-0.0556061	-36.3327	CTL2	10394	10396	10397	10398	-0.18	
-10396	H11	SLES	1	20.6836	-0.0306716	-35.9406	HAL2	10395	0	0	0	0.09	
-10397	H12	SLES	1	19.3518	-1.13244	-36.4603	HAL2	10395	0	0	0	0.09	
-10398	C2	SLES	1	18.6631	0.688909	-35.4116	CTL2	10395	10399	10400	10401	-0.18	
-10399	H21	SLES	1	18.9555	1.75006	-35.2243	HAL2	10398	0	0	0	0.09	
-10400	H22	SLES	1	17.6056	0.661981	-35.7713	HAL2	10398	0	0	0	0.09	
-10401	C3	SLES	1	18.7584	-0.0705721	-34.1505	CTL2	10398	10402	10403	10404	-0.18	
-10402	H31	SLES	1	19.8404	-0.00200562	-33.8539	HAL2	10401	0	0	0	0.09	
-10403	H32	SLES	1	18.4569	-1.1202	-34.421	HAL2	10401	0	0	0	0.09	
-10404	C4	SLES	1	17.9529	0.312422	-32.9515	CTL2	10401	10405	10406	10407	-0.18	
-10405	H41	SLES	1	18.1959	1.34952	-32.6122	HAL2	10404	0	0	0	0.09	
-10406	H42	SLES	1	16.8591	0.266707	-33.1645	HAL2	10404	0	0	0	0.09	
-10407	C5	SLES	1	18.449	-0.785032	-32.0004	CTL2	10404	10408	10409	10410	-0.18	
-10408	H51	SLES	1	19.5643	-0.731426	-31.8853	HAL2	10407	0	0	0	0.09	
-10409	H52	SLES	1	18.2426	-1.8004	-32.4303	HAL2	10407	0	0	0	0.09	
-10410	C6	SLES	1	17.8945	-0.792326	-30.6418	CTL2	10407	10411	10412	10413	-0.18	
-10411	H61	SLES	1	18.7736	-0.739757	-29.9436	HAL2	10410	0	0	0	0.09	
-10412	H62	SLES	1	17.448	-1.81162	-30.4901	HAL2	10410	0	0	0	0.09	
-10413	C7	SLES	1	16.8717	0.29928	-30.3044	CTL2	10410	10414	10415	10416	-0.18	
-10414	H71	SLES	1	17.2803	1.33595	-30.3591	HAL2	10413	0	0	0	0.09	
-10415	H72	SLES	1	15.9385	0.250531	-30.9122	HAL2	10413	0	0	0	0.09	
-10416	C8	SLES	1	16.5912	-0.0712677	-28.8932	CTL2	10413	10417	10418	10419	-0.18	
-10417	H81	SLES	1	17.5766	-0.0213796	-28.3505	HAL2	10416	0	0	0	0.09	
-10418	H82	SLES	1	16.2066	-1.13052	-28.916	HAL2	10416	0	0	0	0.09	
-10419	C9	SLES	1	15.6201	0.716524	-28.085	CTL2	10416	10420	10421	10422	-0.18	
-10420	H91	SLES	1	15.9566	1.77424	-28.0033	HAL2	10419	0	0	0	0.09	
-10421	H92	SLES	1	14.6127	0.685989	-28.5576	HAL2	10419	0	0	0	0.09	
-10422	C10	SLES	1	15.6884	-0.0423176	-26.7614	CTL2	10419	10423	10424	10425	-0.18	
-10423	H10	SLES	1	16.7427	-0.0391775	-26.3732	HAL2	10422	0	0	0	0.09	
-10424	H10	SLES	1	15.4085	-1.11881	-26.9235	HAL2	10422	0	0	0	0.09	
-10425	C11	SLES	1	14.8085	0.492708	-25.6787	CTL2	10422	10426	10427	10428	-0.18	
-10426	H11	SLES	1	15.1035	1.55386	-25.5054	HAL2	10425	0	0	0	0.09	
-10427	H11	SLES	1	13.7612	0.468091	-26.0593	HAL2	10425	0	0	0	0.09	
-10428	C12	SLES	1	14.9802	-0.360704	-24.4189	CTL3	10425	10429	10430	10431	-0.27	
-10429	H12	SLES	1	15.3678	0.261463	-23.5889	HAL3	10428	0	0	0	0.09	
-10430	H12	SLES	1	14.0162	-0.832578	-24.1461	HAL3	10428	0	0	0	0.09	
-10431	H12	SLES	1	15.7127	-1.19245	-24.5641	HAL3	10428	0	0	0	0.09	
-10432	NA	SLES	1	17.1468	13.1925	-46.3827	NA	0	0	0	0	1	
-10433	S	SLES	1	19.3381	13.7984	-44.3813	SL	10434	10435	10436	10437	1.33	
-10434	OS1	SLES	1	18.2264	13.2659	-43.575	OSL	10433	10438	0	0	-0.28	
-10435	OS2	SLES	1	18.49	14.8418	-44.913	O2L	10433	0	0	0	-0.65	
-10436	OS3	SLES	1	19.3863	12.5878	-45.1684	O2L	10433	0	0	0	-0.65	
-10437	OS4	SLES	1	20.3987	14.1178	-43.4676	O2L	10433	0	0	0	-0.65	
-10438	C2	SLES	1	18.1916	13.0571	-42.2199	CC32A	10434	10439	10440	10441	-0.11	
-10439	H2A	SLES	1	18.3494	14.0195	-41.6652	HCA2	10438	0	0	0	0.09	
-10440	H2B	SLES	1	18.9684	12.3089	-41.9095	HCA2	10438	0	0	0	0.09	
-10441	C1	SLES	1	16.7617	12.5127	-42.0138	CC32A	10438	10442	10443	10444	-0.01	
-10442	H1B	SLES	1	15.9964	13.2559	-42.3577	HCA2	10441	0	0	0	0.09	
-10443	H1A	SLES	1	16.6137	11.5594	-42.5782	HCA2	10441	0	0	0	0.09	
-10444	O1	SLES	1	16.3499	12.1856	-40.7263	OC30A	10441	10445	0	0	-0.34	
-10445	C2	SLES	1	17.2634	12.3905	-39.6641	CC32A	10444	10446	10447	10448	-0.01	
-10446	H2A	SLES	1	17.5609	13.4765	-39.605	HCA2	10445	0	0	0	0.09	
-10447	H2B	SLES	1	18.1861	11.7793	-39.8003	HCA2	10445	0	0	0	0.09	
-10448	C1	SLES	1	16.0918	11.9972	-38.6927	CC32A	10445	10449	10450	10451	-0.01	
-10449	H1B	SLES	1	16.1437	12.9865	-38.2192	HCA2	10448	0	0	0	0.09	
-10450	H1A	SLES	1	16.8073	11.12	-38.4905	HCA2	10448	0	0	0	0.09	
-10451	O1	SLES	1	15.4047	11.3768	-37.6368	OC30A	10448	10452	0	0	-0.34	
-10452	C1	SLES	1	15.9205	11.5266	-36.3217	CTL2	10451	10453	10454	10455	-0.18	
-10453	H11	SLES	1	16.202	12.5733	-36.0174	HAL2	10452	0	0	0	0.09	
-10454	H12	SLES	1	16.8304	10.8896	-36.1848	HAL2	10452	0	0	0	0.09	
-10455	C2	SLES	1	14.7217	11.0081	-35.5287	CTL2	10452	10456	10457	10458	-0.18	
-10456	H21	SLES	1	13.8205	11.6629	-35.605	HAL2	10455	0	0	0	0.09	
-10457	H22	SLES	1	14.435	9.96308	-35.8008	HAL2	10455	0	0	0	0.09	
-10458	C3	SLES	1	15.215	11.0216	-34.1385	CTL2	10455	10459	10460	10461	-0.18	
-10459	H31	SLES	1	15.4841	12.0945	-33.9386	HAL2	10458	0	0	0	0.09	
-10460	H32	SLES	1	16.1178	10.3504	-34.1449	HAL2	10458	0	0	0	0.09	
-10461	C4	SLES	1	14.3523	10.5705	-33.0048	CTL2	10458	10462	10463	10464	-0.18	
-10462	H41	SLES	1	13.427	11.1928	-32.9246	HAL2	10461	0	0	0	0.09	
-10463	H42	SLES	1	14.0423	9.50623	-33.1276	HAL2	10461	0	0	0	0.09	
-10464	C5	SLES	1	15.3561	10.7998	-31.8669	CTL2	10461	10465	10466	10467	-0.18	
-10465	H51	SLES	1	15.6848	11.8729	-31.8423	HAL2	10464	0	0	0	0.09	
-10466	H52	SLES	1	16.2915	10.206	-32.0425	HAL2	10464	0	0	0	0.09	
-10467	C6	SLES	1	14.9105	10.4744	-30.5072	CTL2	10464	10468	10469	10470	-0.18	
-10468	H61	SLES	1	15.0466	11.41	-29.8997	HAL2	10467	0	0	0	0.09	
-10469	H62	SLES	1	15.6548	9.73834	-30.1003	HAL2	10467	0	0	0	0.09	
-10470	C7	SLES	1	13.4827	9.93585	-30.3557	CTL2	10467	10471	10472	10473	-0.18	
-10471	H71	SLES	1	12.6907	10.6562	-30.6697	HAL2	10470	0	0	0	0.09	
-10472	H72	SLES	1	13.3068	8.96388	-30.8725	HAL2	10470	0	0	0	0.09	
-10473	C8	SLES	1	13.4576	9.75113	-28.8817	CTL2	10470	10474	10475	10476	-0.18	
-10474	H81	SLES	1	13.6633	10.7628	-28.4319	HAL2	10473	0	0	0	0.09	
-10475	H82	SLES	1	14.2933	9.03454	-28.6397	HAL2	10473	0	0	0	0.09	
-10476	C9	SLES	1	12.2383	9.22592	-28.2077	CTL2	10473	10477	10478	10479	-0.18	
-10477	H91	SLES	1	11.3758	9.90561	-28.3889	HAL2	10476	0	0	0	0.09	
-10478	H92	SLES	1	11.9939	8.21022	-28.5922	HAL2	10476	0	0	0	0.09	
-10479	C10	SLES	1	12.7096	9.22337	-26.755	CTL2	10476	10480	10481	10482	-0.18	
-10480	H10	SLES	1	13.0116	10.2615	-26.4496	HAL2	10479	0	0	0	0.09	
-10481	H10	SLES	1	13.6246	8.57871	-26.6516	HAL2	10479	0	0	0	0.09	
-10482	C11	SLES	1	11.7029	8.73746	-25.7636	CTL2	10479	10483	10484	10485	-0.18	
-10483	H11	SLES	1	10.8053	9.39262	-25.8537	HAL2	10482	0	0	0	0.09	
-10484	H11	SLES	1	11.4217	7.69963	-26.0573	HAL2	10482	0	0	0	0.09	
-10485	C12	SLES	1	12.3097	8.79042	-24.3586	CTL3	10482	10486	10487	10488	-0.27	
-10486	H12	SLES	1	11.7242	9.47807	-23.718	HAL3	10485	0	0	0	0.09	
-10487	H12	SLES	1	12.3454	7.7732	-23.9222	HAL3	10485	0	0	0	0.09	
-10488	H12	SLES	1	13.36	9.17302	-24.3621	HAL3	10485	0	0	0	0.09	
-10489	NA	SLES	1	7.34024	20.3822	-46.3717	NA	0	0	0	0	1	
-10490	S	SLES	1	7.06922	22.6573	-44.3906	SL	10491	10492	10493	10494	1.33	
-10491	OS1	SLES	1	6.98382	21.4338	-43.5751	OSL	10490	10495	0	0	-0.28	
-10492	OS2	SLES	1	5.95445	22.2266	-45.2045	O2L	10490	0	0	0	-0.65	
-10493	OS3	SLES	1	8.37188	22.2734	-44.8836	O2L	10490	0	0	0	-0.65	
-10494	OS4	SLES	1	6.92715	23.7674	-43.491	O2L	10490	0	0	0	-0.65	
-10495	C2	SLES	1	6.84371	21.335	-42.2143	CC32A	10491	10496	10497	10498	-0.11	
-10496	H2A	SLES	1	5.89185	21.8235	-41.8762	HCA2	10495	0	0	0	0.09	
-10497	H2B	SLES	1	7.71736	21.8015	-41.6864	HCA2	10495	0	0	0	0.09	
-10498	C1	SLES	1	6.80113	19.8061	-42.0042	CC32A	10495	10499	10500	10501	-0.01	
-10499	H1B	SLES	1	5.94372	19.3486	-42.5627	HCA2	10498	0	0	0	0.09	
-10500	H1A	SLES	1	7.75027	19.33	-42.353	HCA2	10498	0	0	0	0.09	
-10501	O1	SLES	1	6.65541	19.3125	-40.7122	OC30A	10498	10502	0	0	-0.34	
-10502	C2	SLES	1	6.5323	20.2454	-39.6542	CC32A	10501	10503	10504	10505	-0.01	
-10503	H2A	SLES	1	5.63223	20.9055	-39.8144	HCA2	10502	0	0	0	0.09	
-10504	H2B	SLES	1	7.4362	20.8942	-39.5795	HCA2	10502	0	0	0	0.09	
-10505	C1	SLES	1	6.261	19.0155	-38.7137	CC32A	10502	10506	10507	10508	-0.01	
-10506	H1B	SLES	1	5.26757	19.4139	-38.4687	HCA2	10505	0	0	0	0.09	
-10507	H1A	SLES	1	7.2565	19.3787	-38.2672	HCA2	10505	0	0	0	0.09	
-10508	O1	SLES	1	6.34229	18.16	-37.6031	OC30A	10505	10509	0	0	-0.34	
-10509	C1	SLES	1	6.07378	18.7025	-36.318	CTL2	10508	10510	10511	10512	-0.18	
-10510	H11	SLES	1	5.14651	19.3351	-36.2324	HAL2	10509	0	0	0	0.09	
-10511	H12	SLES	1	6.93268	19.3317	-35.9731	HAL2	10509	0	0	0	0.09	
-10512	C2	SLES	1	5.94897	17.4022	-35.5252	CTL2	10509	10513	10514	10515	-0.18	
-10513	H21	SLES	1	5.06271	16.7878	-35.8145	HAL2	10512	0	0	0	0.09	
-10514	H22	SLES	1	6.86549	16.7655	-35.5804	HAL2	10512	0	0	0	0.09	
-10515	C3	SLES	1	5.77913	17.8762	-34.1386	CTL2	10512	10516	10517	10518	-0.18	
-10516	H31	SLES	1	4.84828	18.5058	-34.1613	HAL2	10515	0	0	0	0.09	
-10517	H32	SLES	1	6.70039	18.486	-33.9261	HAL2	10515	0	0	0	0.09	
-10518	C4	SLES	1	5.62802	16.9161	-33.0036	CTL2	10515	10519	10520	10521	-0.18	
-10519	H41	SLES	1	4.72633	16.2685	-33.1354	HAL2	10518	0	0	0	0.09	
-10520	H42	SLES	1	6.51907	16.2517	-32.9112	HAL2	10518	0	0	0	0.09	
-10521	C5	SLES	1	5.49586	17.9425	-31.8705	CTL2	10518	10522	10523	10524	-0.18	
-10522	H51	SLES	1	4.62638	18.627	-32.059	HAL2	10521	0	0	0	0.09	
-10523	H52	SLES	1	6.39754	18.6091	-31.8369	HAL2	10521	0	0	0	0.09	
-10524	C6	SLES	1	5.3202	17.4182	-30.5112	CTL2	10521	10525	10526	10527	-0.18	
-10525	H61	SLES	1	4.37297	17.8772	-30.1176	HAL2	10524	0	0	0	0.09	
-10526	H62	SLES	1	6.14908	17.8591	-29.8948	HAL2	10524	0	0	0	0.09	
-10527	C7	SLES	1	5.28581	15.8931	-30.3554	CTL2	10524	10528	10529	10530	-0.18	
-10528	H71	SLES	1	4.43308	15.4027	-30.8817	HAL2	10527	0	0	0	0.09	
-10529	H72	SLES	1	6.23121	15.3845	-30.656	HAL2	10527	0	0	0	0.09	
-10530	C8	SLES	1	5.09918	15.8126	-28.8836	CTL2	10527	10531	10532	10533	-0.18	
-10531	H81	SLES	1	4.14357	16.3626	-28.6547	HAL2	10530	0	0	0	0.09	
-10532	H82	SLES	1	5.98035	16.3448	-28.4247	HAL2	10530	0	0	0	0.09	
-10533	C9	SLES	1	5.00139	14.4901	-28.2067	CTL2	10530	10534	10535	10536	-0.18	
-10534	H91	SLES	1	4.13033	13.92	-28.6004	HAL2	10533	0	0	0	0.09	
-10535	H92	SLES	1	5.93208	13.9027	-28.3742	HAL2	10533	0	0	0	0.09	
-10536	C10	SLES	1	4.82396	14.9382	-26.7575	CTL2	10533	10537	10538	10539	-0.18	
-10537	H10	SLES	1	3.91113	15.587	-26.6673	HAL2	10536	0	0	0	0.09	
-10538	H10	SLES	1	5.69938	15.5693	-26.443	HAL2	10536	0	0	0	0.09	
-10539	C11	SLES	1	4.68865	13.8303	-25.7641	CTL2	10536	10540	10541	10542	-0.18	
-10540	H11	SLES	1	3.80652	13.2192	-26.0667	HAL2	10539	0	0	0	0.09	
-10541	H11	SLES	1	5.60553	13.2011	-25.8414	HAL2	10539	0	0	0	0.09	
-10542	C12	SLES	1	4.51832	14.4245	-24.3631	CTL3	10539	10543	10544	10545	-0.27	
-10543	H12	SLES	1	3.54187	14.1209	-23.9383	HAL3	10542	0	0	0	0.09	
-10544	H12	SLES	1	5.3535	14.1032	-23.7107	HAL3	10542	0	0	0	0.09	
-10545	H12	SLES	1	4.53056	15.5422	-24.3699	HAL3	10542	0	0	0	0.09	
-10546	NA	SLES	1	-5.29642	21.7979	-46.0756	NA	0	0	0	0	1	
-10547	S	SLES	1	-7.86915	22.1032	-44.5065	SL	10548	10549	10550	10551	1.33	
-10548	OS1	SLES	1	-6.92561	21.4741	-43.5667	OSL	10547	10552	0	0	-0.28	
-10549	OS2	SLES	1	-7.68527	21.0277	-45.4553	O2L	10547	0	0	0	-0.65	
-10550	OS3	SLES	1	-6.98632	23.2331	-44.6828	O2L	10547	0	0	0	-0.65	
-10551	OS4	SLES	1	-9.1148	22.2521	-43.8079	O2L	10547	0	0	0	-0.65	
-10552	C2	SLES	1	-7.14379	21.1272	-42.2578	CC32A	10548	10553	10554	10555	-0.11	
-10553	H2A	SLES	1	-7.97659	20.3795	-42.1782	HCA2	10552	0	0	0	0.09	
-10554	H2B	SLES	1	-7.38568	22.0313	-41.6384	HCA2	10552	0	0	0	0.09	
-10555	C1	SLES	1	-5.78719	20.5084	-41.8573	CC32A	10552	10556	10557	10558	-0.01	
-10556	H1B	SLES	1	-5.54226	19.6267	-42.5045	HCA2	10555	0	0	0	0.09	
-10557	H1A	SLES	1	-4.96462	21.2595	-41.9494	HCA2	10555	0	0	0	0.09	
-10558	O1	SLES	1	-5.6295	20.0231	-40.5636	OC30A	10555	10559	0	0	-0.34	
-10559	C2	SLES	1	-6.73586	20.1044	-39.6837	CC32A	10558	10560	10561	10562	-0.01	
-10560	H2A	SLES	1	-7.61364	19.5331	-40.1014	HCA2	10559	0	0	0	0.09	
-10561	H2B	SLES	1	-7.0485	21.1628	-39.5233	HCA2	10559	0	0	0	0.09	
-10562	C1	SLES	1	-5.87234	19.2847	-38.6574	CC32A	10559	10563	10564	10565	-0.01	
-10563	H1B	SLES	1	-6.61782	18.4786	-38.6643	HCA2	10562	0	0	0	0.09	
-10564	H1A	SLES	1	-5.96271	20.2749	-38.0797	HCA2	10562	0	0	0	0.09	
-10565	O1	SLES	1	-5.27003	18.9027	-37.4478	OC30A	10562	10566	0	0	-0.34	
-10566	C1	SLES	1	-6.10824	18.6787	-36.323	CTL2	10565	10567	10568	10569	-0.18	
-10567	H11	SLES	1	-7.01712	18.0394	-36.5034	HAL2	10566	0	0	0	0.09	
-10568	H12	SLES	1	-6.46988	19.6523	-35.9061	HAL2	10566	0	0	0	0.09	
-10569	C2	SLES	1	-5.10248	17.9885	-35.4026	CTL2	10566	10570	10571	10572	-0.18	
-10570	H21	SLES	1	-4.7743	16.9875	-35.7727	HAL2	10569	0	0	0	0.09	
-10571	H22	SLES	1	-4.1993	18.6123	-35.1941	HAL2	10569	0	0	0	0.09	
-10572	C3	SLES	1	-5.86423	17.8172	-34.151	CTL2	10569	10573	10574	10575	-0.18	
-10573	H31	SLES	1	-6.75065	17.1881	-34.4369	HAL2	10572	0	0	0	0.09	
-10574	H32	SLES	1	-6.16173	18.8591	-33.848	HAL2	10572	0	0	0	0.09	
-10575	C4	SLES	1	-5.24734	17.1797	-32.9484	CTL2	10572	10576	10577	10578	-0.18	
-10576	H41	SLES	1	-4.9241	16.1315	-33.164	HAL2	10575	0	0	0	0.09	
-10577	H42	SLES	1	-4.35553	17.7503	-32.5977	HAL2	10575	0	0	0	0.09	
-10578	C5	SLES	1	-6.45761	17.2764	-32.0098	CTL2	10575	10579	10580	10581	-0.18	
-10579	H51	SLES	1	-7.34226	16.7458	-32.4524	HAL2	10578	0	0	0	0.09	
-10580	H52	SLES	1	-6.77939	18.3446	-31.8923	HAL2	10578	0	0	0	0.09	
-10581	C6	SLES	1	-6.29447	16.7434	-30.6524	CTL2	10578	10582	10583	10584	-0.18	
-10582	H61	SLES	1	-7.10926	15.9819	-30.514	HAL2	10581	0	0	0	0.09	
-10583	H62	SLES	1	-6.54468	17.5851	-29.9521	HAL2	10581	0	0	0	0.09	
-10584	C7	SLES	1	-4.92815	16.1408	-30.3036	CTL2	10581	10585	10586	10587	-0.18	
-10585	H71	SLES	1	-4.65751	15.2472	-30.9142	HAL2	10584	0	0	0	0.09	
-10586	H72	SLES	1	-4.08621	16.8703	-30.3452	HAL2	10584	0	0	0	0.09	
-10587	C8	SLES	1	-5.20005	15.7427	-28.8982	CTL2	10584	10588	10589	10590	-0.18	
-10588	H81	SLES	1	-6.06984	15.0283	-28.9337	HAL2	10587	0	0	0	0.09	
-10589	H82	SLES	1	-5.48689	16.6866	-28.3532	HAL2	10587	0	0	0	0.09	
-10590	C9	SLES	1	-4.1425	15.085	-28.0823	CTL2	10587	10591	10592	10593	-0.18	
-10591	H91	SLES	1	-3.83006	14.128	-28.5569	HAL2	10590	0	0	0	0.09	
-10592	H92	SLES	1	-3.25842	15.7547	-27.9869	HAL2	10590	0	0	0	0.09	
-10593	C10	SLES	1	-4.89499	14.889	-26.7678	CTL2	10590	10594	10595	10596	-0.18	
-10594	H10	SLES	1	-5.81488	14.2683	-26.9431	HAL2	10593	0	0	0	0.09	
-10595	H10	SLES	1	-5.247	15.8826	-26.3775	HAL2	10593	0	0	0	0.09	
-10596	C11	SLES	1	-4.10907	14.2317	-25.6802	CTL2	10593	10597	10598	10599	-0.18	
-10597	H11	SLES	1	-3.78006	13.2376	-26.0628	HAL2	10596	0	0	0	0.09	
-10598	H11	SLES	1	-3.2084	14.8615	-25.4941	HAL2	10596	0	0	0	0.09	
-10599	C12	SLES	1	-4.98473	14.1014	-24.4307	CTL3	10596	10600	10601	10602	-0.27	
-10600	H12	SLES	1	-5.11134	13.0338	-24.1657	HAL3	10599	0	0	0	0.09	
-10601	H12	SLES	1	-4.53629	14.6693	-23.5923	HAL3	10599	0	0	0	0.09	
-10602	H12	SLES	1	-6.01107	14.5167	-24.5843	HAL3	10599	0	0	0	0.09	
-10603	NA	SLES	1	-17.7957	15.4831	-45.6075	NA	0	0	0	0	1	
-10604	S	SLES	1	-19.0841	12.9018	-44.6847	SL	10605	10606	10607	10608	1.33	
-10605	OS1	SLES	1	-18.2449	13.3311	-43.553	OSL	10604	10609	0	0	-0.28	
-10606	OS2	SLES	1	-17.9404	12.902	-45.5694	O2L	10604	0	0	0	-0.65	
-10607	OS3	SLES	1	-19.8262	14.1407	-44.6429	O2L	10604	0	0	0	-0.65	
-10608	OS4	SLES	1	-19.7041	11.666	-44.2973	O2L	10604	0	0	0	-0.65	
-10609	C2	SLES	1	-18.0963	12.7208	-42.3337	CC32A	10605	10610	10611	10612	-0.11	
-10610	H2A	SLES	1	-17.6874	11.6831	-42.4559	HCA2	10609	0	0	0	0.09	
-10611	H2B	SLES	1	-19.0737	12.6807	-41.7837	HCA2	10609	0	0	0	0.09	
-10612	C1	SLES	1	-17.0836	13.649	-41.6292	CC32A	10609	10613	10614	10615	-0.01	
-10613	H1B	SLES	1	-16.1239	13.7059	-42.2055	HCA2	10612	0	0	0	0.09	
-10614	H1A	SLES	1	-17.4982	14.6814	-41.5217	HCA2	10612	0	0	0	0.09	
-10615	O1	SLES	1	-16.6756	13.3354	-40.3372	OC30A	10612	10616	0	0	-0.34	
-10616	C2	SLES	1	-17.1987	12.1624	-39.7413	CC32A	10615	10617	10618	10619	-0.01	
-10617	H2A	SLES	1	-16.9318	11.2559	-40.3565	HCA2	10616	0	0	0	0.09	
-10618	H2B	SLES	1	-18.3092	12.2138	-39.6532	HCA2	10616	0	0	0	0.09	
-10619	C1	SLES	1	-16.2152	12.4328	-38.5453	CC32A	10616	10620	10621	10622	-0.01	
-10620	H1B	SLES	1	-15.715	11.4732	-38.7313	HCA2	10619	0	0	0	0.09	
-10621	H1A	SLES	1	-17.2181	12.57	-37.9998	HCA2	10619	0	0	0	0.09	
-10622	O1	SLES	1	-15.7452	12.5786	-37.2301	OC30A	10619	10623	0	0	-0.34	
-10623	C1	SLES	1	-15.9096	11.488	-36.3348	CTL2	10622	10624	10625	10626	-0.18	
-10624	H11	SLES	1	-15.6081	10.4768	-36.7269	HAL2	10623	0	0	0	0.09	
-10625	H12	SLES	1	-16.9774	11.4083	-36.0093	HAL2	10623	0	0	0	0.09	
-10626	C2	SLES	1	-14.9905	11.9568	-35.2076	CTL2	10623	10627	10628	10629	-0.18	
-10627	H21	SLES	1	-13.9121	11.9862	-35.4956	HAL2	10626	0	0	0	0.09	
-10628	H22	SLES	1	-15.2816	12.9512	-34.7896	HAL2	10626	0	0	0	0.09	
-10629	C3	SLES	1	-15.1879	10.9262	-34.1707	CTL2	10626	10630	10631	10632	-0.18	
-10630	H31	SLES	1	-14.88	9.96236	-34.6601	HAL2	10629	0	0	0	0.09	
-10631	H32	SLES	1	-16.2889	10.9541	-33.9406	HAL2	10629	0	0	0	0.09	
-10632	C4	SLES	1	-14.4731	10.9972	-32.8604	CTL2	10629	10633	10634	10635	-0.18	
-10633	H41	SLES	1	-13.3642	10.9712	-32.9996	HAL2	10632	0	0	0	0.09	
-10634	H42	SLES	1	-14.7293	11.931	-32.3071	HAL2	10632	0	0	0	0.09	
-10635	C5	SLES	1	-15.0507	9.72196	-32.2316	CTL2	10632	10636	10637	10638	-0.18	
-10636	H51	SLES	1	-14.8224	8.82904	-32.8724	HAL2	10635	0	0	0	0.09	
-10637	H52	SLES	1	-16.1702	9.77804	-32.1873	HAL2	10635	0	0	0	0.09	
-10638	C6	SLES	1	-14.6011	9.38243	-30.8767	CTL2	10635	10639	10640	10641	-0.18	
-10639	H61	SLES	1	-14.1777	8.34325	-30.9376	HAL2	10638	0	0	0	0.09	
-10640	H62	SLES	1	-15.5292	9.29496	-30.2504	HAL2	10638	0	0	0	0.09	
-10641	C7	SLES	1	-13.5962	10.3367	-30.2201	CTL2	10638	10642	10643	10644	-0.18	
-10642	H71	SLES	1	-12.6195	10.4047	-30.7548	HAL2	10641	0	0	0	0.09	
-10643	H72	SLES	1	-13.9879	11.3679	-30.059	HAL2	10641	0	0	0	0.09	
-10644	C8	SLES	1	-13.4256	9.63808	-28.92	CTL2	10641	10645	10646	10647	-0.18	
-10645	H81	SLES	1	-13.0516	8.60393	-29.1625	HAL2	10644	0	0	0	0.09	
-10646	H82	SLES	1	-14.4499	9.58758	-28.4525	HAL2	10644	0	0	0	0.09	
-10647	C9	SLES	1	-12.511	10.1885	-27.882	CTL2	10644	10648	10649	10650	-0.18	
-10648	H91	SLES	1	-11.4711	10.2421	-28.2751	HAL2	10647	0	0	0	0.09	
-10649	H92	SLES	1	-12.8429	11.2067	-27.5782	HAL2	10647	0	0	0	0.09	
-10650	C10	SLES	1	-12.6871	9.14377	-26.782	CTL2	10647	10651	10652	10653	-0.18	
-10651	H10	SLES	1	-12.4071	8.1279	-27.1717	HAL2	10650	0	0	0	0.09	
-10652	H10	SLES	1	-13.7682	9.08572	-26.48	HAL2	10650	0	0	0	0.09	
-10653	C11	SLES	1	-11.887	9.38703	-25.5437	CTL2	10650	10654	10655	10656	-0.18	
-10654	H11	SLES	1	-10.8137	9.42227	-25.8437	HAL2	10653	0	0	0	0.09	
-10655	H11	SLES	1	-12.1828	10.3862	-25.1481	HAL2	10653	0	0	0	0.09	
-10656	C12	SLES	1	-12.1617	8.26769	-24.5355	CTL3	10653	10657	10658	10659	-0.27	
-10657	H12	SLES	1	-11.2259	7.71906	-24.3133	HAL3	10656	0	0	0	0.09	
-10658	H12	SLES	1	-12.6049	8.68909	-23.6123	HAL3	10656	0	0	0	0.09	
-10659	H12	SLES	1	-12.8899	7.51373	-24.9236	HAL3	10656	0	0	0	0.09	
-10660	NA	SLES	1	-24.6115	1.64418	-45.1462	NA	0	0	0	0	1	
-10661	S	SLES	1	-22.6065	-0.607557	-44.8572	SL	10662	10663	10664	10665	1.33	
-10662	OS1	SLES	1	-22.6295	0.0495181	-43.5392	OSL	10661	10666	0	0	-0.28	
-10663	OS2	SLES	1	-22.257	0.637759	-45.5035	O2L	10661	0	0	0	-0.65	
-10664	OS3	SLES	1	-24.023	-0.880562	-44.7789	O2L	10661	0	0	0	-0.65	
-10665	OS4	SLES	1	-21.6512	-1.67631	-44.7723	O2L	10661	0	0	0	-0.65	
-10666	C2	SLES	1	-21.9255	-0.293442	-42.4132	CC32A	10662	10667	10668	10669	-0.11	
-10667	H2A	SLES	1	-20.821	-0.239842	-42.6032	HCA2	10666	0	0	0	0.09	
-10668	H2B	SLES	1	-22.2009	-1.32482	-42.0668	HCA2	10666	0	0	0	0.09	
-10669	C1	SLES	1	-22.38	0.785828	-41.4071	CC32A	10666	10670	10671	10672	-0.01	
-10670	H1B	SLES	1	-22.1283	1.81251	-41.7798	HCA2	10669	0	0	0	0.09	
-10671	H1A	SLES	1	-23.4825	0.728524	-41.2331	HCA2	10669	0	0	0	0.09	
-10672	O1	SLES	1	-21.8546	0.763312	-40.1196	OC30A	10669	10673	0	0	-0.34	
-10673	C2	SLES	1	-20.9092	-0.242648	-39.805	CC32A	10672	10674	10675	10676	-0.01	
-10674	H2A	SLES	1	-20.0109	-0.164001	-40.4821	HCA2	10673	0	0	0	0.09	
-10675	H2B	SLES	1	-21.3486	-1.26114	-39.9195	HCA2	10673	0	0	0	0.09	
-10676	C1	SLES	1	-20.7282	0.478817	-38.4202	CC32A	10673	10677	10678	10679	-0.01	
-10677	H1B	SLES	1	-19.668	0.65649	-38.6441	HCA2	10676	0	0	0	0.09	
-10678	H1A	SLES	1	-21.1782	-0.515444	-38.0578	HCA2	10676	0	0	0	0.09	
-10679	O1	SLES	1	-20.6069	0.661847	-37.0332	OC30A	10676	10680	0	0	-0.34	
-10680	C1	SLES	1	-19.5897	-0.0556061	-36.3488	CTL2	10679	10681	10682	10683	-0.18	
-10681	H11	SLES	1	-18.5665	-0.0306716	-36.8175	HAL2	10680	0	0	0	0.09	
-10682	H12	SLES	1	-19.8756	-1.13244	-36.2433	HAL2	10680	0	0	0	0.09	
-10683	C2	SLES	1	-19.6212	0.688909	-35.0148	CTL2	10680	10684	10685	10686	-0.18	
-10684	H21	SLES	1	-19.2819	1.75006	-35.0891	HAL2	10683	0	0	0	0.09	
-10685	H22	SLES	1	-20.6232	0.661981	-34.5214	HAL2	10683	0	0	0	0.09	
-10686	C3	SLES	1	-18.6621	-0.0705721	-34.1904	CTL2	10683	10687	10688	10689	-0.18	
-10687	H31	SLES	1	-17.6872	-0.00200562	-34.7457	HAL2	10686	0	0	0	0.09	
-10688	H32	SLES	1	-19.0665	-1.1202	-34.1685	HAL2	10686	0	0	0	0.09	
-10689	C4	SLES	1	-18.3838	0.312422	-32.7731	CTL2	10686	10690	10691	10692	-0.18	
-10690	H41	SLES	1	-17.972	1.34952	-32.7049	HAL2	10689	0	0	0	0.09	
-10691	H42	SLES	1	-19.3078	0.266707	-32.1502	HAL2	10689	0	0	0	0.09	
-10692	C5	SLES	1	-17.3605	-0.785032	-32.4513	CTL2	10689	10693	10694	10695	-0.18	
-10693	H51	SLES	1	-16.4904	-0.731426	-33.1585	HAL2	10692	0	0	0	0.09	
-10694	H52	SLES	1	-17.8104	-1.8004	-32.6094	HAL2	10692	0	0	0	0.09	
-10695	C6	SLES	1	-16.7919	-0.792326	-31.0985	CTL2	10692	10696	10697	10698	-0.18	
-10696	H61	SLES	1	-15.6766	-0.739757	-31.2264	HAL2	10695	0	0	0	0.09	
-10697	H62	SLES	1	-17.0003	-1.81162	-30.6756	HAL2	10695	0	0	0	0.09	
-10698	C7	SLES	1	-17.2765	0.29928	-30.1368	CTL2	10695	10699	10700	10701	-0.18	
-10699	H71	SLES	1	-17.0263	1.33595	-30.4643	HAL2	10698	0	0	0	0.09	
-10700	H72	SLES	1	-18.3662	0.250531	-29.9066	HAL2	10698	0	0	0	0.09	
-10701	C8	SLES	1	-16.477	-0.0712677	-28.9405	CTL2	10698	10702	10703	10704	-0.18	
-10702	H81	SLES	1	-15.3964	-0.0213796	-29.2535	HAL2	10701	0	0	0	0.09	
-10703	H82	SLES	1	-16.7651	-1.13052	-28.6847	HAL2	10701	0	0	0	0.09	
-10704	C9	SLES	1	-16.5922	0.716524	-27.6824	CTL2	10701	10705	10706	10707	-0.18	
-10705	H91	SLES	1	-16.2965	1.77424	-27.8625	HAL2	10704	0	0	0	0.09	
-10706	H92	SLES	1	-17.6387	0.685989	-27.3042	HAL2	10704	0	0	0	0.09	
-10707	C10	SLES	1	-15.608	-0.0423176	-26.7947	CTL2	10704	10708	10709	10710	-0.18	
-10708	H10	SLES	1	-14.588	-0.0391775	-27.2657	HAL2	10707	0	0	0	0.09	
-10709	H10	SLES	1	-15.9205	-1.11881	-26.7114	HAL2	10707	0	0	0	0.09	
-10710	C11	SLES	1	-15.4645	0.492708	-25.407	CTL2	10707	10711	10712	10713	-0.18	
-10711	H11	SLES	1	-15.1334	1.55386	-25.493	HAL2	10710	0	0	0	0.09	
-10712	H11	SLES	1	-16.4743	0.468091	-24.9355	HAL2	10710	0	0	0	0.09	
-10713	C12	SLES	1	-14.4523	-0.360704	-24.6375	CTL3	10710	10714	10715	10716	-0.27	
-10714	H12	SLES	1	-13.5914	0.261463	-24.3247	HAL3	10713	0	0	0	0.09	
-10715	H12	SLES	1	-14.9411	-0.832578	-23.7629	HAL3	10713	0	0	0	0.09	
-10716	H12	SLES	1	-14.037	-1.19245	-25.2581	HAL3	10713	0	0	0	0.09	
-10717	NA	SLES	1	-20.8041	-14.3805	-44.8678	NA	0	0	0	0	1	
-10718	S	SLES	1	-17.9724	-13.3093	-44.958	SL	10719	10720	10721	10722	1.33	
-10719	OS1	SLES	1	-18.3355	-13.2979	-43.5307	OSL	10718	10723	0	0	-0.28	
-10720	OS2	SLES	1	-19.1074	-12.4743	-45.2825	O2L	10718	0	0	0	-0.65	
-10721	OS3	SLES	1	-18.2151	-14.7312	-45.039	O2L	10718	0	0	0	-0.65	
-10722	OS4	SLES	1	-16.6369	-12.7901	-45.0514	O2L	10718	0	0	0	-0.65	
-10723	C2	SLES	1	-17.5594	-12.9175	-42.4658	CC32A	10719	10724	10725	10726	-0.11	
-10724	H2A	SLES	1	-17.2486	-11.8439	-42.5638	HCA2	10723	0	0	0	0.09	
-10725	H2B	SLES	1	-16.6497	-13.5691	-42.3797	HCA2	10723	0	0	0	0.09	
-10726	C1	SLES	1	-18.5215	-13.122	-41.2757	CC32A	10723	10727	10728	10729	-0.01	
-10727	H1B	SLES	1	-19.4403	-12.4903	-41.3901	HCA2	10726	0	0	0	0.09	
-10728	H1A	SLES	1	-18.8312	-14.1928	-41.1939	HCA2	10726	0	0	0	0.09	
-10729	O1	SLES	1	-18.0723	-12.8235	-39.9938	OC30A	10726	10730	0	0	-0.34	
-10730	C2	SLES	1	-16.7547	-12.3251	-39.8505	CC32A	10729	10731	10732	10733	-0.01	
-10731	H2A	SLES	1	-16.6317	-11.3658	-40.4302	HCA2	10730	0	0	0	0.09	
-10732	H2B	SLES	1	-16.0017	-13.0596	-40.2206	HCA2	10730	0	0	0	0.09	
-10733	C1	SLES	1	-17.0913	-12.1117	-38.3299	CC32A	10730	10734	10735	10736	-0.01	
-10734	H1B	SLES	1	-16.9162	-11.0329	-38.436	HCA2	10733	0	0	0	0.09	
-10735	H1A	SLES	1	-16.275	-12.9157	-38.2316	HCA2	10733	0	0	0	0.09	
-10736	O1	SLES	1	-16.9562	-12.1347	-36.9323	OC30A	10733	10737	0	0	-0.34	
-10737	C1	SLES	1	-15.8078	-11.5253	-36.3598	CTL2	10736	10738	10739	10740	-0.18	
-10738	H11	SLES	1	-15.5519	-10.4973	-36.7407	HAL2	10737	0	0	0	0.09	
-10739	H12	SLES	1	-14.9053	-12.1677	-36.5187	HAL2	10737	0	0	0	0.09	
-10740	C2	SLES	1	-16.251	-11.4948	-34.8977	CTL2	10737	10741	10742	10743	-0.18	
-10741	H21	SLES	1	-17.1142	-10.8125	-34.7083	HAL2	10740	0	0	0	0.09	
-10742	H22	SLES	1	-16.4928	-12.5073	-34.4918	HAL2	10740	0	0	0	0.09	
-10743	C3	SLES	1	-15.0588	-10.9736	-34.2025	CTL2	10740	10744	10745	10746	-0.18	
-10744	H31	SLES	1	-14.8764	-9.9637	-34.661	HAL2	10743	0	0	0	0.09	
-10745	H32	SLES	1	-14.2392	-11.7053	-34.4446	HAL2	10743	0	0	0	0.09	
-10746	C4	SLES	1	-15.0448	-10.7877	-32.7198	CTL2	10743	10747	10748	10749	-0.18	
-10747	H41	SLES	1	-15.8335	-10.0661	-32.3925	HAL2	10746	0	0	0	0.09	
-10748	H42	SLES	1	-15.2173	-11.7522	-32.1871	HAL2	10746	0	0	0	0.09	
-10749	C5	SLES	1	-13.6143	-10.2484	-32.5848	CTL2	10746	10750	10751	10752	-0.18	
-10750	H51	SLES	1	-13.4841	-9.31956	-33.2015	HAL2	10749	0	0	0	0.09	
-10751	H52	SLES	1	-12.876	-10.9854	-32.9972	HAL2	10749	0	0	0	0.09	
-10752	C6	SLES	1	-13.1514	-9.91379	-31.2332	CTL2	10749	10753	10754	10755	-0.18	
-10753	H61	SLES	1	-12.8242	-8.83935	-31.2703	HAL2	10752	0	0	0	0.09	
-10754	H62	SLES	1	-12.2145	-10.5099	-31.0654	HAL2	10752	0	0	0	0.09	
-10755	C7	SLES	1	-14.1438	-10.136	-30.0855	CTL2	10752	10756	10757	10758	-0.18	
-10756	H71	SLES	1	-15.0639	-9.50872	-30.1538	HAL2	10755	0	0	0	0.09	
-10757	H72	SLES	1	-14.4463	-11.1999	-29.9463	HAL2	10755	0	0	0	0.09	
-10758	C8	SLES	1	-13.2952	-9.68588	-28.952	CTL2	10755	10759	10760	10761	-0.18	
-10759	H81	SLES	1	-13.0125	-8.61827	-29.1721	HAL2	10758	0	0	0	0.09	
-10760	H82	SLES	1	-12.3814	-10.3457	-28.9611	HAL2	10758	0	0	0	0.09	
-10761	C9	SLES	1	-13.822	-9.708	-27.5597	CTL2	10758	10762	10763	10764	-0.18	
-10762	H91	SLES	1	-14.7175	-9.05228	-27.4769	HAL2	10761	0	0	0	0.09	
-10763	H92	SLES	1	-14.098	-10.7467	-27.2696	HAL2	10761	0	0	0	0.09	
-10764	C10	SLES	1	-12.6096	-9.17215	-26.801	CTL2	10761	10765	10766	10767	-0.18	
-10765	H10	SLES	1	-12.3354	-8.15417	-27.1893	HAL2	10764	0	0	0	0.09	
-10766	H10	SLES	1	-11.7211	-9.83603	-26.9833	HAL2	10764	0	0	0	0.09	
-10767	C11	SLES	1	-12.7885	-9.0566	-25.3221	CTL2	10764	10768	10769	10770	-0.18	
-10768	H11	SLES	1	-13.6569	-8.38021	-25.1447	HAL2	10767	0	0	0	0.09	
-10769	H11	SLES	1	-13.0393	-10.0723	-24.9375	HAL2	10767	0	0	0	0.09	
-10770	C12	SLES	1	-11.5017	-8.50959	-24.6978	CTL3	10767	10771	10772	10773	-0.27	
-10771	H12	SLES	1	-11.7043	-7.54371	-24.1956	HAL3	10770	0	0	0	0.09	
-10772	H12	SLES	1	-11.0815	-9.24745	-23.9868	HAL3	10770	0	0	0	0.09	
-10773	H12	SLES	1	-10.708	-8.31343	-25.4601	HAL3	10770	0	0	0	0.09	
-10774	NA	SLES	1	-7.15571	-24.2318	-44.8788	NA	0	0	0	0	1	
-10775	S	SLES	1	-7.18211	-21.2038	-44.9487	SL	10776	10777	10778	10779	1.33	
-10776	OS1	SLES	1	-6.98161	-21.5474	-43.5306	OSL	10775	10780	0	0	-0.28	
-10777	OS2	SLES	1	-8.40647	-21.9718	-44.991	O2L	10775	0	0	0	-0.65	
-10778	OS3	SLES	1	-5.99056	-21.9296	-45.3238	O2L	10775	0	0	0	-0.65	
-10779	OS4	SLES	1	-7.21918	-19.7706	-45.0281	O2L	10775	0	0	0	-0.65	
-10780	C2	SLES	1	-6.81196	-20.6928	-42.4714	CC32A	10776	10781	10782	10783	-0.11	
-10781	H2A	SLES	1	-7.70536	-20.0244	-42.3528	HCA2	10780	0	0	0	0.09	
-10782	H2B	SLES	1	-5.88754	-20.0701	-42.6027	HCA2	10780	0	0	0	0.09	
-10783	C1	SLES	1	-6.67582	-21.6717	-41.2853	CC32A	10780	10784	10785	10786	-0.01	
-10784	H1B	SLES	1	-7.5919	-22.3098	-41.1852	HCA2	10783	0	0	0	0.09	
-10785	H1A	SLES	1	-5.78846	-22.338	-41.4191	HCA2	10783	0	0	0	0.09	
-10786	O1	SLES	1	-6.49267	-21.1531	-40.008	OC30A	10783	10787	0	0	-0.34	
-10787	C2	SLES	1	-6.46147	-19.7452	-39.8603	CC32A	10786	10788	10789	10790	-0.01	
-10788	H2A	SLES	1	-7.42818	-19.2903	-40.2208	HCA2	10787	0	0	0	0.09	
-10789	H2B	SLES	1	-5.62237	-19.2959	-40.4413	HCA2	10787	0	0	0	0.09	
-10790	C1	SLES	1	-6.4138	-19.9935	-38.3089	CC32A	10787	10791	10792	10793	-0.01	
-10791	H1B	SLES	1	-7.36019	-19.4504	-38.1864	HCA2	10790	0	0	0	0.09	
-10792	H1A	SLES	1	-5.37983	-19.5119	-38.4549	HCA2	10790	0	0	0	0.09	
-10793	O1	SLES	1	-6.01846	-19.8825	-36.966	OC30A	10790	10794	0	0	-0.34	
-10794	C1	SLES	1	-6.04536	-18.5963	-36.3635	CTL2	10793	10795	10796	10797	-0.18	
-10795	H11	SLES	1	-6.98243	-17.994	-36.5257	HAL2	10794	0	0	0	0.09	
-10796	H12	SLES	1	-5.18928	-17.9759	-36.7304	HAL2	10794	0	0	0	0.09	
-10797	C2	SLES	1	-5.88152	-19.0083	-34.9012	CTL2	10794	10798	10799	10800	-0.18	
-10798	H21	SLES	1	-6.75331	-19.5782	-34.4989	HAL2	10797	0	0	0	0.09	
-10799	H22	SLES	1	-4.94789	-19.5923	-34.7123	HAL2	10797	0	0	0	0.09	
-10800	C3	SLES	1	-5.78442	-17.7128	-34.2023	CTL2	10797	10801	10802	10803	-0.18	
-10801	H31	SLES	1	-6.74839	-17.1851	-34.4383	HAL2	10800	0	0	0	0.09	
-10802	H32	SLES	1	-4.89499	-17.2009	-34.6634	HAL2	10800	0	0	0	0.09	
-10803	C4	SLES	1	-5.60064	-17.6422	-32.721	CTL2	10800	10804	10805	10806	-0.18	
-10804	H41	SLES	1	-6.45018	-18.1292	-32.1817	HAL2	10803	0	0	0	0.09	
-10805	H42	SLES	1	-4.65713	-18.1451	-32.4036	HAL2	10803	0	0	0	0.09	
-10806	C5	SLES	1	-5.56987	-16.1143	-32.5812	CTL2	10803	10807	10808	10809	-0.18	
-10807	H51	SLES	1	-6.51514	-15.6631	-32.9848	HAL2	10806	0	0	0	0.09	
-10808	H52	SLES	1	-4.74345	-15.6794	-33.2028	HAL2	10806	0	0	0	0.09	
-10809	C6	SLES	1	-5.39848	-15.5705	-31.2291	CTL2	10806	10810	10811	10812	-0.18	
-10810	H61	SLES	1	-6.27272	-14.8868	-31.0525	HAL2	10809	0	0	0	0.09	
-10811	H62	SLES	1	-4.49605	-14.9033	-31.2708	HAL2	10809	0	0	0	0.09	
-10812	C7	SLES	1	-5.26658	-16.5839	-30.0858	CTL2	10809	10813	10814	10815	-0.18	
-10813	H71	SLES	1	-6.16824	-17.2249	-29.9418	HAL2	10812	0	0	0	0.09	
-10814	H72	SLES	1	-4.36952	-17.2412	-30.1629	HAL2	10812	0	0	0	0.09	
-10815	C8	SLES	1	-5.11946	-15.6372	-28.9501	CTL2	10812	10816	10817	10818	-0.18	
-10816	H81	SLES	1	-6.04566	-14.9967	-28.9493	HAL2	10815	0	0	0	0.09	
-10817	H82	SLES	1	-4.20847	-15.0131	-29.1761	HAL2	10815	0	0	0	0.09	
-10818	C9	SLES	1	-4.95276	-16.1457	-27.5607	CTL2	10815	10819	10820	10821	-0.18	
-10819	H91	SLES	1	-5.83642	-16.7545	-27.2654	HAL2	10818	0	0	0	0.09	
-10820	H92	SLES	1	-4.03416	-16.7702	-27.4876	HAL2	10818	0	0	0	0.09	
-10821	C10	SLES	1	-4.84713	-14.8264	-26.7986	CTL2	10818	10822	10823	10824	-0.18	
-10822	H10	SLES	1	-5.77058	-14.2103	-26.9716	HAL2	10821	0	0	0	0.09	
-10823	H10	SLES	1	-3.98182	-14.2264	-27.1919	HAL2	10821	0	0	0	0.09	
-10824	C11	SLES	1	-4.66624	-14.9611	-25.3215	CTL2	10821	10825	10826	10827	-0.18	
-10825	H11	SLES	1	-5.53721	-15.5378	-24.9318	HAL2	10824	0	0	0	0.09	
-10826	H11	SLES	1	-3.73773	-15.5545	-25.1534	HAL2	10824	0	0	0	0.09	
-10827	C12	SLES	1	-4.57683	-13.5675	-24.6933	CTL3	10824	10828	10829	10830	-0.27	
-10828	H12	SLES	1	-5.40701	-13.4209	-23.9754	HAL3	10827	0	0	0	0.09	
-10829	H12	SLES	1	-3.59479	-13.4368	-24.1983	HAL3	10827	0	0	0	0.09	
-10830	H12	SLES	1	-4.66261	-12.7515	-25.4523	HAL3	10827	0	0	0	0.09	
-10831	NA	SLES	1	9.19953	-22.8161	-45.1749	NA	0	0	0	0	1	
-10832	S	SLES	1	6.38218	-21.7579	-44.8329	SL	10833	10834	10835	10836	1.33	
-10833	OS1	SLES	1	7.03982	-21.5071	-43.5391	OSL	10832	10837	0	0	-0.28	
-10834	OS2	SLES	1	6.67565	-23.1707	-44.7403	O2L	10832	0	0	0	-0.65	
-10835	OS3	SLES	1	7.37612	-20.9699	-45.5245	O2L	10832	0	0	0	-0.65	
-10836	OS4	SLES	1	5.03153	-21.2859	-44.7112	O2L	10832	0	0	0	-0.65	
-10837	C2	SLES	1	6.51187	-20.9006	-42.4279	CC32A	10833	10838	10839	10840	-0.11	
-10838	H2A	SLES	1	5.62063	-21.4685	-42.0508	HCA2	10837	0	0	0	0.09	
-10839	H2B	SLES	1	6.21922	-19.8403	-42.6508	HCA2	10837	0	0	0	0.09	
-10840	C1	SLES	1	7.68977	-20.9694	-41.4322	CC32A	10837	10841	10842	10843	-0.01	
-10841	H1B	SLES	1	7.99336	-22.0317	-41.2433	HCA2	10840	0	0	0	0.09	
-10842	H1A	SLES	1	8.57411	-20.4084	-41.8227	HCA2	10840	0	0	0	0.09	
-10843	O1	SLES	1	7.51858	-20.4425	-40.1566	OC30A	10840	10844	0	0	-0.34	
-10844	C2	SLES	1	6.2579	-19.8862	-39.8308	CC32A	10843	10845	10846	10847	-0.01	
-10845	H2A	SLES	1	5.44677	-20.6627	-39.9338	HCA2	10844	0	0	0	0.09	
-10846	H2B	SLES	1	6.01007	-19.0273	-40.4975	HCA2	10844	0	0	0	0.09	
-10847	C1	SLES	1	6.80246	-19.7243	-38.3652	CC32A	10844	10848	10849	10850	-0.01	
-10848	H1B	SLES	1	6.00995	-20.3857	-37.9908	HCA2	10847	0	0	0	0.09	
-10849	H1A	SLES	1	6.67362	-18.6157	-38.6424	HCA2	10847	0	0	0	0.09	
-10850	O1	SLES	1	7.09072	-19.1398	-37.1213	OC30A	10847	10851	0	0	-0.34	
-10851	C1	SLES	1	6.0109	-18.6202	-36.3585	CTL2	10850	10852	10853	10854	-0.18	
-10852	H11	SLES	1	5.11183	-19.2897	-36.2547	HAL2	10851	0	0	0	0.09	
-10853	H12	SLES	1	5.65209	-17.6553	-36.7975	HAL2	10851	0	0	0	0.09	
-10854	C2	SLES	1	6.72801	-18.422	-35.0238	CTL2	10851	10855	10856	10857	-0.18	
-10855	H21	SLES	1	7.04173	-19.3784	-34.5406	HAL2	10854	0	0	0	0.09	
-10856	H22	SLES	1	7.61407	-17.7455	-35.0985	HAL2	10854	0	0	0	0.09	
-10857	C3	SLES	1	5.69933	-17.7717	-34.19	CTL2	10854	10858	10859	10860	-0.18	
-10858	H31	SLES	1	4.84601	-18.5028	-34.1627	HAL2	10857	0	0	0	0.09	
-10859	H32	SLES	1	5.43364	-16.8278	-34.7415	HAL2	10857	0	0	0	0.09	
-10860	C4	SLES	1	5.98132	-17.3785	-32.7762	CTL2	10857	10861	10862	10863	-0.18	
-10861	H41	SLES	1	6.2524	-18.2662	-32.1531	HAL2	10860	0	0	0	0.09	
-10862	H42	SLES	1	6.82067	-16.6465	-32.717	HAL2	10860	0	0	0	0.09	
-10863	C5	SLES	1	4.60813	-16.7804	-32.4419	CTL2	10860	10864	10865	10866	-0.18	
-10864	H51	SLES	1	3.79927	-17.5443	-32.5914	HAL2	10863	0	0	0	0.09	
-10865	H52	SLES	1	4.36161	-15.9439	-33.1475	HAL2	10863	0	0	0	0.09	
-10866	C6	SLES	1	4.42422	-16.2453	-31.088	CTL2	10863	10867	10868	10869	-0.18	
-10867	H61	SLES	1	3.53643	-16.7822	-30.6561	HAL2	10866	0	0	0	0.09	
-10868	H62	SLES	1	4.10044	-15.1773	-31.2135	HAL2	10866	0	0	0	0.09	
-10869	C7	SLES	1	5.62425	-16.3361	-30.1376	CTL2	10866	10870	10871	10872	-0.18	
-10870	H71	SLES	1	5.94381	-17.3803	-29.9092	HAL2	10869	0	0	0	0.09	
-10871	H72	SLES	1	6.51452	-15.7554	-30.4736	HAL2	10869	0	0	0	0.09	
-10872	C8	SLES	1	5.01859	-15.7071	-28.9355	CTL2	10869	10873	10874	10875	-0.18	
-10873	H81	SLES	1	4.11939	-16.3309	-28.6703	HAL2	10872	0	0	0	0.09	
-10874	H82	SLES	1	4.70192	-14.6713	-29.2476	HAL2	10872	0	0	0	0.09	
-10875	C9	SLES	1	5.81165	-15.5507	-27.6851	CTL2	10872	10876	10877	10878	-0.18	
-10876	H91	SLES	1	6.13669	-16.5465	-27.3089	HAL2	10875	0	0	0	0.09	
-10877	H92	SLES	1	6.70781	-14.9182	-27.8749	HAL2	10875	0	0	0	0.09	
-10878	C10	SLES	1	4.77611	-14.8756	-26.7883	CTL2	10875	10879	10880	10881	-0.18	
-10879	H10	SLES	1	3.86683	-15.529	-26.6958	HAL2	10878	0	0	0	0.09	
-10880	H10	SLES	1	4.4342	-13.9131	-27.2574	HAL2	10878	0	0	0	0.09	
-10881	C11	SLES	1	5.24582	-14.5597	-25.4055	CTL2	10878	10882	10883	10884	-0.18	
-10882	H11	SLES	1	5.56366	-15.5195	-24.9356	HAL2	10881	0	0	0	0.09	
-10883	H11	SLES	1	6.13486	-13.8941	-25.5007	HAL2	10881	0	0	0	0.09	
-10884	C12	SLES	1	4.11042	-13.8905	-24.6257	CTL3	10881	10885	10886	10887	-0.27	
-10885	H12	SLES	1	3.83754	-14.508	-23.748	HAL3	10884	0	0	0	0.09	
-10886	H12	SLES	1	4.41199	-12.8707	-24.3167	HAL3	10884	0	0	0	0.09	
-10887	H12	SLES	1	3.1821	-13.777	-25.2378	HAL3	10884	0	0	0	0.09	
-10888	NA	SLES	1	20.1552	-12.0898	-45.643	NA	0	0	0	0	1	
-10889	S	SLES	1	18.2264	-14.2058	-44.6546	SL	10890	10891	10892	10893	1.33	
-10890	OS1	SLES	1	18.317	-13.2327	-43.5528	OSL	10889	10894	0	0	-0.28	
-10891	OS2	SLES	1	19.6569	-14.4141	-44.6261	O2L	10889	0	0	0	-0.65	
-10892	OS3	SLES	1	17.7751	-13.1783	-45.5645	O2L	10889	0	0	0	-0.65	
-10893	OS4	SLES	1	17.3315	-15.242	-44.2217	O2L	10889	0	0	0	-0.65	
-10894	C2	SLES	1	17.6547	-13.2539	-42.3519	CC32A	10890	10895	10896	10897	-0.11	
-10895	H2A	SLES	1	17.9105	-14.1804	-41.7731	HCA2	10894	0	0	0	0.09	
-10896	H2B	SLES	1	16.5444	-13.1974	-42.5055	HCA2	10894	0	0	0	0.09	
-10897	C1	SLES	1	18.1995	-11.9857	-41.6603	CC32A	10894	10898	10899	10900	-0.01	
-10898	H1B	SLES	1	19.3128	-12.0404	-41.5423	HCA2	10897	0	0	0	0.09	
-10899	H1A	SLES	1	17.9467	-11.0708	-42.2505	HCA2	10897	0	0	0	0.09	
-10900	O1	SLES	1	17.7465	-11.6737	-40.3829	OC30A	10897	10901	0	0	-0.34	
-10901	C2	SLES	1	16.8194	-12.5532	-39.7733	CC32A	10900	10902	10903	10904	-0.01	
-10902	H2A	SLES	1	17.2608	-13.5865	-39.6787	HCA2	10901	0	0	0	0.09	
-10903	H2B	SLES	1	15.8786	-12.6251	-40.3676	HCA2	10901	0	0	0	0.09	
-10904	C1	SLES	1	16.9679	-11.6761	-38.4773	CC32A	10901	10905	10906	10907	-0.01	
-10905	H1B	SLES	1	17.3449	-12.5462	-37.9238	HCA2	10904	0	0	0	0.09	
-10906	H1A	SLES	1	15.8642	-11.4657	-38.7223	HCA2	10904	0	0	0	0.09	
-10907	O1	SLES	1	16.6157	-10.933	-37.339	OC30A	10904	10908	0	0	-0.34	
-10908	C1	SLES	1	15.8188	-11.5639	-36.3467	CTL2	10907	10909	10910	10911	-0.18	
-10909	H11	SLES	1	16.1459	-12.5938	-36.0312	HAL2	10908	0	0	0	0.09	
-10910	H12	SLES	1	14.7584	-11.6491	-36.6943	HAL2	10908	0	0	0	0.09	
-10911	C2	SLES	1	15.9822	-10.5461	-35.2188	CTL2	10908	10912	10913	10914	-0.18	
-10912	H21	SLES	1	17.0226	-10.4893	-34.8177	HAL2	10911	0	0	0	0.09	
-10913	H22	SLES	1	15.6462	-9.51914	-35.503	HAL2	10911	0	0	0	0.09	
-10914	C3	SLES	1	15.0858	-11.0689	-34.1702	CTL2	10911	10915	10916	10917	-0.18	
-10915	H31	SLES	1	15.4804	-12.0958	-33.9395	HAL2	10914	0	0	0	0.09	
-10916	H32	SLES	1	14.0682	-11.1016	-34.6489	HAL2	10914	0	0	0	0.09	
-10917	C4	SLES	1	14.9239	-10.361	-32.8642	CTL2	10914	10918	10919	10920	-0.18	
-10918	H41	SLES	1	15.8963	-10.2878	-32.3175	HAL2	10917	0	0	0	0.09	
-10919	H42	SLES	1	14.5303	-9.32737	-33.0077	HAL2	10917	0	0	0	0.09	
-10920	C5	SLES	1	13.9197	-11.3263	-32.22	CTL2	10917	10921	10922	10923	-0.18	
-10921	H51	SLES	1	14.3465	-12.3634	-32.1714	HAL2	10920	0	0	0	0.09	
-10922	H52	SLES	1	12.9973	-11.4134	-32.8524	HAL2	10920	0	0	0	0.09	
-10923	C6	SLES	1	13.4608	-11.0057	-30.8636	CTL2	10920	10924	10925	10926	-0.18	
-10924	H61	SLES	1	13.693	-11.9061	-30.2325	HAL2	10923	0	0	0	0.09	
-10925	H62	SLES	1	12.3401	-10.9533	-30.9153	HAL2	10923	0	0	0	0.09	
-10926	C7	SLES	1	14.0303	-9.73514	-30.2211	CTL2	10923	10927	10928	10929	-0.18	
-10927	H71	SLES	1	15.1351	-9.76025	-30.0687	HAL2	10926	0	0	0	0.09	
-10928	H72	SLES	1	13.7652	-8.79587	-30.7598	HAL2	10926	0	0	0	0.09	
-10929	C8	SLES	1	13.3272	-9.79892	-28.9138	CTL2	10926	10930	10931	10932	-0.18	
-10930	H81	SLES	1	13.6241	-10.7771	-28.4415	HAL2	10929	0	0	0	0.09	
-10931	H82	SLES	1	12.2247	-9.7927	-29.1482	HAL2	10929	0	0	0	0.09	
-10932	C9	SLES	1	13.5493	-8.7454	-27.8854	CTL2	10929	10933	10934	10935	-0.18	
-10933	H91	SLES	1	14.6222	-8.71574	-27.5908	HAL2	10932	0	0	0	0.09	
-10934	H92	SLES	1	13.2491	-7.75017	-28.2836	HAL2	10932	0	0	0	0.09	
-10935	C10	SLES	1	12.6322	-9.25175	-26.7741	CTL2	10932	10936	10937	10938	-0.18	
-10936	H10	SLES	1	12.9399	-10.2878	-26.4673	HAL2	10935	0	0	0	0.09	
-10937	H10	SLES	1	11.5775	-9.32902	-27.1549	HAL2	10935	0	0	0	0.09	
-10938	C11	SLES	1	12.6045	-8.40704	-25.5419	CTL2	10935	10939	10940	10941	-0.18	
-10939	H11	SLES	1	13.6485	-8.35055	-25.1547	HAL2	10938	0	0	0	0.09	
-10940	H11	SLES	1	12.2781	-7.38571	-25.8467	HAL2	10938	0	0	0	0.09	
-10941	C12	SLES	1	11.6498	-9.03232	-24.5209	CTL3	10938	10942	10943	10944	-0.27	
-10942	H12	SLES	1	12.2026	-9.30272	-23.6004	HAL3	10941	0	0	0	0.09	
-10943	H12	SLES	1	10.822	-8.33156	-24.2968	HAL3	10941	0	0	0	0.09	
-10944	H12	SLES	1	11.1781	-9.97272	-24.8986	HAL3	10941	0	0	0	0.09	
-10945	NA	SLES	1	6.75885	1.64418	-49.9298	NA	0	0	0	0	1	
-10946	S	SLES	1	8.35083	-0.607557	-48.677	SL	10947	10948	10949	10950	1.33	
-10947	OS1	SLES	1	7.67191	0.0495181	-47.5471	OSL	10946	10951	0	0	-0.28	
-10948	OS2	SLES	1	8.97663	0.637759	-49.0619	O2L	10946	0	0	0	-0.65	
-10949	OS3	SLES	1	7.08492	-0.880562	-49.3175	O2L	10946	0	0	0	-0.65	
-10950	OS4	SLES	1	9.13563	-1.67631	-48.1259	O2L	10946	0	0	0	-0.65	
-10951	C2	SLES	1	7.71854	-0.293442	-46.2199	CC32A	10947	10952	10953	10954	-0.11	
-10952	H2A	SLES	1	8.77009	-0.239842	-45.8322	HCA2	10951	0	0	0	0.09	
-10953	H2B	SLES	1	7.30687	-1.32482	-46.0576	HCA2	10951	0	0	0	0.09	
-10954	C1	SLES	1	6.82192	0.785828	-45.5759	CC32A	10951	10955	10956	10957	-0.01	
-10955	H1B	SLES	1	7.22625	1.81251	-45.7728	HCA2	10954	0	0	0	0.09	
-10956	H1A	SLES	1	5.78007	0.728524	-45.9765	HCA2	10954	0	0	0	0.09	
-10957	O1	SLES	1	6.63316	0.763312	-44.1982	OC30A	10954	10958	0	0	-0.34	
-10958	C2	SLES	1	7.29464	-0.242648	-43.453	CC32A	10957	10959	10960	10961	-0.01	
-10959	H2A	SLES	1	8.41108	-0.164001	-43.5902	HCA2	10958	0	0	0	0.09	
-10960	H2B	SLES	1	6.97133	-1.26114	-43.7719	HCA2	10958	0	0	0	0.09	
-10961	C1	SLES	1	6.75895	0.478817	-42.1633	CC32A	10958	10962	10963	10964	-0.01	
-10962	H1B	SLES	1	7.78902	0.65649	-41.8271	HCA2	10961	0	0	0	0.09	
-10963	H1A	SLES	1	6.18805	-0.515444	-42.0744	HCA2	10961	0	0	0	0.09	
-10964	O1	SLES	1	6.1705	0.661847	-40.9014	OC30A	10961	10965	0	0	-0.34	
-10965	C1	SLES	1	6.70925	-0.0556061	-39.8001	CTL2	10964	10966	10967	10968	-0.18	
-10966	H11	SLES	1	7.82974	-0.0306716	-39.6944	HAL2	10965	0	0	0	0.09	
-10967	H12	SLES	1	6.40883	-1.13244	-39.8517	HAL2	10965	0	0	0	0.09	
-10968	C2	SLES	1	6.01496	0.688909	-38.6606	CTL2	10965	10969	10970	10971	-0.18	
-10969	H21	SLES	1	6.34589	1.75006	-38.5553	HAL2	10968	0	0	0	0.09	
-10970	H22	SLES	1	4.90043	0.661981	-38.7343	HAL2	10968	0	0	0	0.09	
-10971	C3	SLES	1	6.43339	-0.0705721	-37.4671	CTL2	10968	10972	10973	10974	-0.18	
-10972	H31	SLES	1	7.55528	-0.00200562	-37.4606	HAL2	10971	0	0	0	0.09	
-10973	H32	SLES	1	6.07215	-1.1202	-37.6503	HAL2	10971	0	0	0	0.09	
-10974	C4	SLES	1	5.96571	0.312422	-36.1005	CTL2	10971	10975	10976	10977	-0.18	
-10975	H41	SLES	1	6.28821	1.34952	-35.8356	HAL2	10974	0	0	0	0.09	
-10976	H42	SLES	1	4.85404	0.266707	-36.0231	HAL2	10974	0	0	0	0.09	
-10977	C5	SLES	1	6.69103	-0.785032	-35.3102	CTL2	10974	10978	10979	10980	-0.18	
-10978	H51	SLES	1	7.79812	-0.731426	-35.4876	HAL2	10977	0	0	0	0.09	
-10979	H52	SLES	1	6.3804	-1.8004	-35.672	HAL2	10977	0	0	0	0.09	
-10980	C6	SLES	1	6.5071	-0.792326	-33.8543	CTL2	10977	10981	10982	10983	-0.18	
-10981	H61	SLES	1	7.53688	-0.739757	-33.4075	HAL2	10980	0	0	0	0.09	
-10982	H62	SLES	1	6.11509	-1.81162	-33.5923	HAL2	10980	0	0	0	0.09	
-10983	C7	SLES	1	5.60646	0.29928	-33.2638	CTL2	10980	10984	10985	10986	-0.18	
-10984	H71	SLES	1	5.98696	1.33595	-33.4223	HAL2	10983	0	0	0	0.09	
-10985	H72	SLES	1	4.54771	0.250531	-33.6093	HAL2	10983	0	0	0	0.09	
-10986	C8	SLES	1	5.70073	-0.0712677	-31.828	CTL2	10983	10987	10988	10989	-0.18	
-10987	H81	SLES	1	6.79305	-0.0213796	-31.5588	HAL2	10986	0	0	0	0.09	
-10988	H82	SLES	1	5.32335	-1.13052	-31.7505	HAL2	10986	0	0	0	0.09	
-10989	C9	SLES	1	4.97192	0.716524	-30.796	CTL2	10986	10990	10991	10992	-0.18	
-10990	H91	SLES	1	5.31811	1.77424	-30.8042	HAL2	10989	0	0	0	0.09	
-10991	H92	SLES	1	3.8765	0.685989	-30.9918	HAL2	10989	0	0	0	0.09	
-10992	C10	SLES	1	5.38043	-0.0423176	-29.5351	CTL2	10989	10993	10994	10995	-0.18	
-10993	H10	SLES	1	6.49928	-0.0391775	-29.4331	HAL2	10992	0	0	0	0.09	
-10994	H10	SLES	1	5.06815	-1.11881	-29.6193	HAL2	10992	0	0	0	0.09	
-10995	C11	SLES	1	4.81082	0.492708	-28.2616	CTL2	10992	10996	10997	10998	-0.18	
-10996	H11	SLES	1	5.14056	1.55386	-28.1706	HAL2	10995	0	0	0	0.09	
-10997	H11	SLES	1	3.70062	0.468091	-28.3582	HAL2	10995	0	0	0	0.09	
-10998	C12	SLES	1	5.30269	-0.360704	-27.0892	CTL3	10995	10999	11000	11001	-0.27	
-10999	H12	SLES	1	5.89185	0.261463	-26.3878	HAL3	10998	0	0	0	0.09	
-11000	H12	SLES	1	4.44211	-0.832578	-26.5761	HAL3	10998	0	0	0	0.09	
-11001	H12	SLES	1	5.97263	-1.19245	-27.419	HAL3	10998	0	0	0	0.09	
-11002	NA	SLES	1	-1.95358	7.19624	-49.8705	NA	0	0	0	0	1	
-11003	S	SLES	1	-4.70247	6.68869	-48.7042	SL	11004	11005	11006	11007	1.33	
-11004	OS1	SLES	1	-3.79302	6.68099	-47.5457	OSL	11003	11008	0	0	-0.28	
-11005	OS2	SLES	1	-3.94517	5.6347	-49.3416	O2L	11003	0	0	0	-0.65	
-11006	OS3	SLES	1	-4.29634	8.03091	-49.0518	O2L	11003	0	0	0	-0.65	
-11007	OS4	SLES	1	-6.02193	6.43303	-48.1987	O2L	11003	0	0	0	-0.65	
-11008	C2	SLES	1	-4.11349	6.51297	-46.2227	CC32A	11004	11009	11010	11011	-0.11	
-11009	H2A	SLES	1	-4.60006	5.51593	-46.0551	HCA2	11008	0	0	0	0.09	
-11010	H2B	SLES	1	-4.79455	7.33147	-45.8681	HCA2	11008	0	0	0	0.09	
-11011	C1	SLES	1	-2.72934	6.58891	-45.5431	CC32A	11008	11012	11013	11014	-0.01	
-11012	H1B	SLES	1	-2.04858	5.78668	-45.9295	HCA2	11011	0	0	0	0.09	
-11013	H1A	SLES	1	-2.25087	7.58253	-45.7247	HCA2	11011	0	0	0	0.09	
-11014	O1	SLES	1	-2.65433	6.44916	-44.1614	OC30A	11011	11015	0	0	-0.34	
-11015	C2	SLES	1	-3.85736	6.22252	-43.45	CC32A	11014	11016	11017	11018	-0.01	
-11016	H2A	SLES	1	-4.35475	5.2765	-43.8093	HCA2	11015	0	0	0	0.09	
-11017	H2B	SLES	1	-4.57165	7.06851	-43.5829	HCA2	11015	0	0	0	0.09	
-11018	C1	SLES	1	-2.96505	6.02679	-42.1708	CC32A	11015	11019	11020	11021	-0.01	
-11019	H1B	SLES	1	-3.33371	4.99812	-42.0632	HCA2	11018	0	0	0	0.09	
-11020	H1A	SLES	1	-3.53342	6.97724	-41.861	HCA2	11018	0	0	0	0.09	
-11021	O1	SLES	1	-2.51031	6.14743	-40.8477	OC30A	11018	11022	0	0	-0.34	
-11022	C1	SLES	1	-3.40271	5.8015	-39.798	CTL2	11021	11023	11024	11025	-0.18	
-11023	H11	SLES	1	-3.94867	4.82404	-39.9153	HAL2	11022	0	0	0	0.09	
-11024	H12	SLES	1	-4.17912	6.59701	-39.6682	HAL2	11022	0	0	0	0.09	
-11025	C2	SLES	1	-2.41009	5.76138	-38.6369	CTL2	11022	11026	11027	11028	-0.18	
-11026	H21	SLES	1	-1.6627	4.93593	-38.7185	HAL2	11025	0	0	0	0.09	
-11027	H22	SLES	1	-1.8689	6.72765	-38.4894	HAL2	11025	0	0	0	0.09	
-11028	C3	SLES	1	-3.27788	5.51661	-37.4693	CTL2	11025	11029	11030	11031	-0.18	
-11029	H31	SLES	1	-3.78684	4.53871	-37.6885	HAL2	11028	0	0	0	0.09	
-11030	H32	SLES	1	-3.99993	6.37935	-37.4591	HAL2	11028	0	0	0	0.09	
-11031	C4	SLES	1	-2.71195	5.41353	-36.0901	CTL2	11028	11032	11033	11034	-0.18	
-11032	H41	SLES	1	-1.98116	4.57117	-36.0118	HAL2	11031	0	0	0	0.09	
-11033	H42	SLES	1	-2.18853	6.35272	-35.7938	HAL2	11031	0	0	0	0.09	
-11034	C5	SLES	1	-4.02624	5.16828	-35.3368	CTL2	11031	11035	11036	11037	-0.18	
-11035	H51	SLES	1	-4.54046	4.25152	-35.7306	HAL2	11034	0	0	0	0.09	
-11036	H52	SLES	1	-4.74422	6.01172	-35.5143	HAL2	11034	0	0	0	0.09	
-11037	C6	SLES	1	-3.94062	4.99939	-33.8816	CTL2	11034	11038	11039	11040	-0.18	
-11038	H61	SLES	1	-4.4171	4.00787	-33.652	HAL2	11037	0	0	0	0.09	
-11039	H62	SLES	1	-4.6213	5.77299	-33.4349	HAL2	11037	0	0	0	0.09	
-11040	C7	SLES	1	-2.54375	5.08464	-33.2547	CTL2	11037	11041	11042	11043	-0.18	
-11041	H71	SLES	1	-1.84235	4.28888	-33.6002	HAL2	11040	0	0	0	0.09	
-11042	H72	SLES	1	-2.04938	6.07587	-33.3803	HAL2	11040	0	0	0	0.09	
-11043	C8	SLES	1	-2.91222	4.86583	-31.8321	CTL2	11040	11044	11045	11046	-0.18	
-11044	H81	SLES	1	-3.42253	3.86298	-31.7874	HAL2	11043	0	0	0	0.09	
-11045	H82	SLES	1	-3.6346	5.68832	-31.5635	HAL2	11043	0	0	0	0.09	
-11046	C9	SLES	1	-1.86471	4.85752	-30.774	CTL2	11043	11047	11048	11049	-0.18	
-11047	H91	SLES	1	-1.12791	4.04641	-30.9687	HAL2	11046	0	0	0	0.09	
-11048	H92	SLES	1	-1.3362	5.83692	-30.7487	HAL2	11046	0	0	0	0.09	
-11049	C10	SLES	1	-2.72699	4.60561	-29.5389	CTL2	11046	11050	11051	11052	-0.18	
-11050	H10	SLES	1	-3.29091	3.64109	-29.657	HAL2	11049	0	0	0	0.09	
-11051	H10	SLES	1	-3.49707	5.41824	-29.4386	HAL2	11049	0	0	0	0.09	
-11052	C11	SLES	1	-1.97826	4.53404	-28.2478	CTL2	11049	11053	11054	11055	-0.18	
-11053	H11	SLES	1	-1.23025	3.71279	-28.3431	HAL2	11052	0	0	0	0.09	
-11054	H11	SLES	1	-1.43724	5.50067	-28.1236	HAL2	11052	0	0	0	0.09	
-11055	C12	SLES	1	-2.96422	4.27865	-27.1043	CTL3	11052	11056	11057	11058	-0.27	
-11056	H12	SLES	1	-2.72663	3.31901	-26.6056	HAL3	11055	0	0	0	0.09	
-11057	H12	SLES	1	-2.93579	5.11937	-26.384	HAL3	11055	0	0	0	0.09	
-11058	H12	SLES	1	-4.02041	4.20039	-27.4617	HAL3	11055	0	0	0	0.09	
Index: tests/regression/Molecules/CreateMicelle/pre/tensid.data
===================================================================
--- tests/regression/Molecules/CreateMicelle/pre/tensid.data	(revision 2034f3c5f9db8e8024a0f4db0cd3d1231e98ac24)
+++ 	(revision )
@@ -1,59 +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	32.397	35.231	26.737	NA	0	0	0	0	1	
-2	S	SLES	1	31.282	33.88	29.208	SL	3	4	5	6	1.33	
-3	OS1	SLES	1	30.788	33.072	28.08	OSL	2	7	0	0	-0.28	
-4	OS2	SLES	1	30.674	35.071	28.658	O2L	2	0	0	0	-0.65	
-5	OS3	SLES	1	32.652	33.652	28.81	O2L	2	0	0	0	-0.65	
-6	OS4	SLES	1	30.761	33.284	30.406	O2L	2	0	0	0	-0.65	
-7	C2	SLES	1	30.018	31.938	28.128	CC32A	3	8	9	10	-0.11	
-8	H2A	SLES	1	29.033	32.147	28.623	HCA2	7	0	0	0	0.09	
-9	H2B	SLES	1	30.55	31.115	28.675	HCA2	7	0	0	0	0.09	
-10	C1	SLES	1	29.84	31.605	26.631	CC32A	7	11	12	13	-0.01	
-11	H1B	SLES	1	29.337	32.448	26.09	HCA2	10	0	0	0	0.09	
-12	H1A	SLES	1	30.828	31.408	26.147	HCA2	10	0	0	0	0.09	
-13	O1	SLES	1	29.087	30.49	26.279	OC30A	10	14	0	0	-0.34	
-14	C2	SLES	1	28.503	29.727	27.319	CC32A	13	15	16	17	-0.01	
-15	H2A	SLES	1	27.804	30.366	27.931	HCA2	14	0	0	0	0.09	
-16	H2B	SLES	1	29.281	29.306	27.998	HCA2	14	0	0	0	0.09	
-17	C1	SLES	1	27.786	28.897	26.193	CC32A	14	18	19	20	-0.01	
-18	H1B	SLES	1	26.806	29.197	26.587	HCA2	17	0	0	0	0.09	
-19	H1A	SLES	1	28.461	28.076	26.632	HCA2	17	0	0	0	0.09	
-20	O1	SLES	1	27.309	27.793	25.468	OC30A	17	21	0	0	-0.34	
-21	C1	SLES	1	26.479	26.857	26.141	CTL2	20	22	23	24	-0.18	
-22	H11	SLES	1	25.639	27.291	26.752	HAL2	21	0	0	0	0.09	
-23	H12	SLES	1	27.089	26.219	26.829	HAL2	21	0	0	0	0.09	
-24	C2	SLES	1	25.959	26.079	24.933	CTL2	21	25	26	27	-0.18	
-25	H21	SLES	1	25.299	26.683	24.265	HAL2	24	0	0	0	0.09	
-26	H22	SLES	1	26.775	25.623	24.321	HAL2	24	0	0	0	0.09	
-27	C3	SLES	1	25.166	25	25.552	CTL2	24	28	29	30	-0.18	
-28	H31	SLES	1	24.374	25.53	26.148	HAL2	27	0	0	0	0.09	
-29	H32	SLES	1	25.893	24.446	26.208	HAL2	27	0	0	0	0.09	
-30	C4	SLES	1	24.47	23.973	24.719	CTL2	27	31	32	33	-0.18	
-31	H41	SLES	1	23.721	24.443	24.035	HAL2	30	0	0	0	0.09	
-32	H42	SLES	1	25.193	23.397	24.095	HAL2	30	0	0	0	0.09	
-33	C5	SLES	1	23.845	23.159	25.86	CTL2	30	34	35	36	-0.18	
-34	H51	SLES	1	23.187	23.811	26.494	HAL2	33	0	0	0	0.09	
-35	H52	SLES	1	24.641	22.777	26.552	HAL2	33	0	0	0	0.09	
-36	C6	SLES	1	23.033	21.996	25.484	CTL2	33	37	38	39	-0.18	
-37	H61	SLES	1	22.025	22.151	25.956	HAL2	36	0	0	0	0.09	
-38	H62	SLES	1	23.483	21.114	26.014	HAL2	36	0	0	0	0.09	
-39	C7	SLES	1	22.888	21.707	23.985	CTL2	36	40	41	42	-0.18	
-40	H71	SLES	1	22.373	22.516	23.415	HAL2	39	0	0	0	0.09	
-41	H72	SLES	1	23.849	21.466	23.474	HAL2	39	0	0	0	0.09	
-42	C8	SLES	1	22.025	20.5	24.062	CTL2	39	43	44	45	-0.18	
-43	H81	SLES	1	21.09	20.813	24.606	HAL2	42	0	0	0	0.09	
-44	H82	SLES	1	22.598	19.741	24.667	HAL2	42	0	0	0	0.09	
-45	C9	SLES	1	21.583	19.808	22.82	CTL2	42	46	47	48	-0.18	
-46	H91	SLES	1	20.987	20.501	22.185	HAL2	45	0	0	0	0.09	
-47	H92	SLES	1	22.466	19.449	22.245	HAL2	45	0	0	0	0.09	
-48	C10	SLES	1	20.753	18.675	23.42	CTL2	45	49	50	51	-0.18	
-49	H10	SLES	1	19.924	19.1	24.048	HAL2	48	0	0	0	0.09	
-50	H10	SLES	1	21.392	18.056	24.107	HAL2	48	0	0	0	0.09	
-51	C11	SLES	1	20.134	17.748	22.425	CTL2	48	52	53	54	-0.18	
-52	H11	SLES	1	19.484	18.362	21.759	HAL2	51	0	0	0	0.09	
-53	H11	SLES	1	20.961	17.312	21.818	HAL2	51	0	0	0	0.09	
-54	C12	SLES	1	19.337	16.67	23.165	CTL3	51	55	56	57	-0.27	
-55	H12	SLES	1	18.268	16.727	22.882	HAL3	54	0	0	0	0.09	
-56	H12	SLES	1	19.755	15.669	22.942	HAL3	54	0	0	0	0.09	
-57	H12	SLES	1	19.381	16.794	24.275	HAL3	54	0	0	0	0.09	
Index: tests/regression/Molecules/CreateMicelle/pre/tensid.potentials
===================================================================
--- tests/regression/Molecules/CreateMicelle/pre/tensid.potentials	(revision 2034f3c5f9db8e8024a0f4db0cd3d1231e98ac24)
+++ 	(revision )
@@ -1,1534 +1,0 @@
-particles	{
-	particle:	particle_type=CC30A,	element_name=C,	sigma=4,	epsilon=0.032,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CEL2,	element_name=C,	sigma=4.16,	epsilon=0.064,	sigma14=4.16,	epsilon14=0.064,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CTL3,	element_name=C,	sigma=4.08,	epsilon=0.078,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=OBL,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=2.8,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=HT,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HCA25A,	element_name=H,	sigma=2.6,	epsilon=0.035,	sigma14=2.6,	epsilon14=0.035,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=NTL,	element_name=N,	sigma=3.7,	epsilon=0.2,	sigma14=3.7,	epsilon14=0.2,	mass=14.007,	free=3,	charge=0;
-	particle:	particle_type=HOL,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=CC326A,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CC33A,	element_name=C,	sigma=4.08,	epsilon=0.078,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=NE,	element_name=Ne,	sigma=3.06,	epsilon=0.086,	sigma14=3.06,	epsilon14=0.086,	mass=20.1797,	free=3,	charge=0;
-	particle:	particle_type=CLA,	element_name=Cl,	sigma=4.54,	epsilon=0.15,	sigma14=4.54,	epsilon14=0.15,	mass=35.45,	free=3,	charge=0;
-	particle:	particle_type=DUM,	element_name=H,	sigma=0,	epsilon=0,	sigma14=0,	epsilon14=0,	mass=0,	free=3,	charge=0;
-	particle:	particle_type=NA,	element_name=Na,	sigma=2.7275,	epsilon=0.0469,	sigma14=2.7275,	epsilon14=0.0469,	mass=22.98977,	free=3,	charge=0;
-	particle:	particle_type=CC32A,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=O2L,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=3.4,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=CC31A,	element_name=C,	sigma=4,	epsilon=0.032,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=OSL,	element_name=O,	sigma=3.54,	epsilon=0.1521,	sigma14=3.54,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=CTL5,	element_name=C,	sigma=4.12,	epsilon=0.08,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=HEL1,	element_name=H,	sigma=2.5,	epsilon=0.031,	sigma14=2.5,	epsilon14=0.031,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=SL,	element_name=S,	sigma=4.2,	epsilon=0.47,	sigma14=4.2,	epsilon14=0.47,	mass=32.06,	free=3,	charge=0;
-	particle:	particle_type=OT,	element_name=O,	sigma=3.5364,	epsilon=0.1521,	sigma14=3.5364,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=HAL1,	element_name=H,	sigma=2.64,	epsilon=0.022,	sigma14=2.64,	epsilon14=0.022,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HEL2,	element_name=H,	sigma=2.52,	epsilon=0.026,	sigma14=2.52,	epsilon14=0.026,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HE,	element_name=He,	sigma=2.96,	epsilon=0.02127,	sigma14=2.96,	epsilon14=0.02127,	mass=4.0026,	free=3,	charge=0;
-	particle:	particle_type=HCA3,	element_name=H,	sigma=2.68,	epsilon=0.024,	sigma14=2.68,	epsilon14=0.024,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=OHL,	element_name=O,	sigma=3.54,	epsilon=0.1521,	sigma14=3.54,	epsilon14=0.1521,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=OC305A,	element_name=O,	sigma=3.3,	epsilon=0.1,	sigma14=3.3,	epsilon14=0.1,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=CC325B,	element_name=C,	sigma=4.04,	epsilon=0.06,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=NH3L,	element_name=N,	sigma=3.7,	epsilon=0.2,	sigma14=3.7,	epsilon14=0.2,	mass=14.007,	free=3,	charge=0;
-	particle:	particle_type=HL,	element_name=H,	sigma=1.4,	epsilon=0.046,	sigma14=1.4,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=CEL1,	element_name=C,	sigma=4.18,	epsilon=0.068,	sigma14=4.18,	epsilon14=0.068,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CTL1,	element_name=C,	sigma=4.55,	epsilon=0.02,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=HAL2,	element_name=H,	sigma=2.68,	epsilon=0.028,	sigma14=2.68,	epsilon14=0.028,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=OCL,	element_name=O,	sigma=3.4,	epsilon=0.12,	sigma14=3.4,	epsilon14=0.12,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=MG,	element_name=Mg,	sigma=2.37,	epsilon=0.015,	sigma14=2.37,	epsilon14=0.015,	mass=24.305,	free=3,	charge=0;
-	particle:	particle_type=OC30A,	element_name=O,	sigma=3.3,	epsilon=0.1,	sigma14=3.3,	epsilon14=0.1,	mass=15.9994,	free=3,	charge=0;
-	particle:	particle_type=HAL3,	element_name=H,	sigma=2.68,	epsilon=0.024,	sigma14=2.68,	epsilon14=0.024,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HCA2,	element_name=H,	sigma=2.68,	epsilon=0.035,	sigma14=2.68,	epsilon14=0.035,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=PL,	element_name=P,	sigma=4.3,	epsilon=0.585,	sigma14=4.3,	epsilon14=0.585,	mass=30.974,	free=3,	charge=0;
-	particle:	particle_type=HCA1,	element_name=H,	sigma=2.68,	epsilon=0.045,	sigma14=2.68,	epsilon14=0.045,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=HCL,	element_name=H,	sigma=0.449,	epsilon=0.046,	sigma14=0.449,	epsilon14=0.046,	mass=1.008,	free=3,	charge=0;
-	particle:	particle_type=CC325A,	element_name=C,	sigma=4.04,	epsilon=0.06,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=CTL2,	element_name=C,	sigma=4.02,	epsilon=0.056,	sigma14=3.8,	epsilon14=0.01,	mass=12.011,	free=3,	charge=0;
-	particle:	particle_type=POT,	element_name=K,	sigma=3.5275,	epsilon=0.087,	sigma14=3.5275,	epsilon14=0.087,	mass=39.102,	free=3,	charge=0;
-	particle:	particle_type=CL,	element_name=C,	sigma=4,	epsilon=0.07,	sigma14=4,	epsilon14=0.07,	mass=12.011,	free=3,	charge=0;
-	};
-bonds	{
-	bond:	particle_type1=CC30A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CC30A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=HEL2,	particle_type2=CEL2,	bond_type=harmonic,	k_b=365,	r_0=1.1,	k=0,	e_0=0;
-	bond:	particle_type1=CEL2,	particle_type2=CEL2,	bond_type=harmonic,	k_b=510,	r_0=1.33,	k=0,	e_0=0;
-	bond:	particle_type1=CTL3,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CTL3,	particle_type2=HAL3,	bond_type=harmonic,	k_b=322,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=CTL3,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
-	bond:	particle_type1=CTL3,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
-	bond:	particle_type1=OBL,	particle_type2=CL,	bond_type=harmonic,	k_b=750,	r_0=1.22,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=CTL3,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=CTL2,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=CTL1,	bond_type=harmonic,	k_b=428,	r_0=1.42,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=CL,	bond_type=harmonic,	k_b=230,	r_0=1.4,	k=0,	e_0=0;
-	bond:	particle_type1=OHL,	particle_type2=PL,	bond_type=harmonic,	k_b=237,	r_0=1.59,	k=0,	e_0=0;
-	bond:	particle_type1=HT,	particle_type2=HT,	bond_type=harmonic,	k_b=0,	r_0=1.5139,	k=0,	e_0=0;
-	bond:	particle_type1=HT,	particle_type2=OT,	bond_type=harmonic,	k_b=450,	r_0=0.9572,	k=0,	e_0=0;
-	bond:	particle_type1=CC325B,	particle_type2=OC305A,	bond_type=harmonic,	k_b=350,	r_0=1.425,	k=0,	e_0=0;
-	bond:	particle_type1=CC325B,	particle_type2=HCA25A,	bond_type=harmonic,	k_b=307,	r_0=1.1,	k=0,	e_0=0;
-	bond:	particle_type1=CC325B,	particle_type2=CC325B,	bond_type=harmonic,	k_b=195,	r_0=1.518,	k=0,	e_0=0;
-	bond:	particle_type1=CC325B,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
-	bond:	particle_type1=NTL,	particle_type2=CTL5,	bond_type=harmonic,	k_b=215,	r_0=1.51,	k=0,	e_0=0;
-	bond:	particle_type1=NTL,	particle_type2=CTL2,	bond_type=harmonic,	k_b=215,	r_0=1.51,	k=0,	e_0=0;
-	bond:	particle_type1=HOL,	particle_type2=OHL,	bond_type=harmonic,	k_b=545,	r_0=0.96,	k=0,	e_0=0;
-	bond:	particle_type1=CC326A,	particle_type2=CC326A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CC326A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
-	bond:	particle_type1=CC326A,	particle_type2=HCA2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=NH3L,	particle_type2=HCL,	bond_type=harmonic,	k_b=410,	r_0=1.04,	k=0,	e_0=0;
-	bond:	particle_type1=NH3L,	particle_type2=CTL2,	bond_type=harmonic,	k_b=261,	r_0=1.51,	k=0,	e_0=0;
-	bond:	particle_type1=CC33A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CC33A,	particle_type2=HCA3,	bond_type=harmonic,	k_b=322,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=CC33A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
-	bond:	particle_type1=CEL1,	particle_type2=CEL2,	bond_type=harmonic,	k_b=500,	r_0=1.342,	k=0,	e_0=0;
-	bond:	particle_type1=CEL1,	particle_type2=CTL3,	bond_type=harmonic,	k_b=383,	r_0=1.504,	k=0,	e_0=0;
-	bond:	particle_type1=CEL1,	particle_type2=CEL1,	bond_type=harmonic,	k_b=440,	r_0=1.34,	k=0,	e_0=0;
-	bond:	particle_type1=CEL1,	particle_type2=CTL2,	bond_type=harmonic,	k_b=365,	r_0=1.502,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=CTL1,	bond_type=harmonic,	k_b=222.5,	r_0=1.5,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
-	bond:	particle_type1=CTL1,	particle_type2=HAL1,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=HCA2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=O2L,	particle_type2=PL,	bond_type=harmonic,	k_b=580,	r_0=1.48,	k=0,	e_0=0;
-	bond:	particle_type1=CC31A,	particle_type2=CC32A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CC31A,	particle_type2=HCA1,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=CC31A,	particle_type2=CC33A,	bond_type=harmonic,	k_b=222.5,	r_0=1.538,	k=0,	e_0=0;
-	bond:	particle_type1=CC31A,	particle_type2=CC31A,	bond_type=harmonic,	k_b=222.5,	r_0=1.5,	k=0,	e_0=0;
-	bond:	particle_type1=OCL,	particle_type2=CL,	bond_type=harmonic,	k_b=525,	r_0=1.26,	k=0,	e_0=0;
-	bond:	particle_type1=OSL,	particle_type2=CL,	bond_type=harmonic,	k_b=150,	r_0=1.334,	k=0,	e_0=0;
-	bond:	particle_type1=OSL,	particle_type2=PL,	bond_type=harmonic,	k_b=270,	r_0=1.6,	k=0,	e_0=0;
-	bond:	particle_type1=CTL5,	particle_type2=HL,	bond_type=harmonic,	k_b=300,	r_0=1.08,	k=0,	e_0=0;
-	bond:	particle_type1=CC325A,	particle_type2=HCA25A,	bond_type=harmonic,	k_b=307,	r_0=1.116,	k=0,	e_0=0;
-	bond:	particle_type1=CC325A,	particle_type2=CC325A,	bond_type=harmonic,	k_b=195,	r_0=1.548,	k=0,	e_0=0;
-	bond:	particle_type1=HEL1,	particle_type2=CEL1,	bond_type=harmonic,	k_b=360.5,	r_0=1.1,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=CTL3,	bond_type=harmonic,	k_b=222.5,	r_0=1.528,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=HL,	bond_type=harmonic,	k_b=300,	r_0=1.08,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=OSL,	bond_type=harmonic,	k_b=340,	r_0=1.43,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=CL,	bond_type=harmonic,	k_b=200,	r_0=1.522,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=HAL2,	bond_type=harmonic,	k_b=309,	r_0=1.111,	k=0,	e_0=0;
-	bond:	particle_type1=SL,	particle_type2=O2L,	bond_type=harmonic,	k_b=540,	r_0=1.448,	k=0,	e_0=0;
-	bond:	particle_type1=SL,	particle_type2=OSL,	bond_type=harmonic,	k_b=250,	r_0=1.575,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=OSL,	bond_type=harmonic,	k_b=349.86,	r_0=1.4225,	k=0,	e_0=0;
-	bond:	particle_type1=CC32A,	particle_type2=CTL2,	bond_type=harmonic,	k_b=222.5,	r_0=1.53,	k=0,	e_0=0;
-	bond:	particle_type1=CTL2,	particle_type2=OC30A,	bond_type=harmonic,	k_b=360,	r_0=1.415,	k=0,	e_0=0;
-	};
-angles	{
-	angle:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=47,	theta_0=125.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=48,	theta_0=126,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CL,	angle_type=harmonic,	k_th=52,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=20,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=70,	theta_0=125,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HT,	particle_type2=OT,	particle_type3=HT,	angle_type=harmonic,	k_th=55,	theta_0=104.52,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=OC305A,	angle_type=harmonic,	k_th=70,	theta_0=107.3,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=HCA25A,	angle_type=SongHiLee,	k_th=38.5,	theta_0=106.8,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=35,	theta_0=111.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=HCA25A,	angle_type=SongHiLee,	k_th=38.5,	theta_0=106.8,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=CC325A,	angle_type=SongHiLee,	k_th=35,	theta_0=111.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NTL,	particle_type2=CTL5,	particle_type3=HL,	angle_type=SongHiLee,	k_th=40,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=67.7,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=HL,	angle_type=SongHiLee,	k_th=40,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=67.7,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL3,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL2,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CTL1,	angle_type=harmonic,	k_th=57.5,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=CL,	angle_type=harmonic,	k_th=55,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HOL,	particle_type2=OHL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=30,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=112,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=114,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=OC30A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC33A,	particle_type2=OC30A,	particle_type3=CC33A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=OC30A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=O2L,	particle_type2=SL,	particle_type3=O2L,	angle_type=SongHiLee,	k_th=130,	theta_0=109.47,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=O2L,	particle_type2=SL,	particle_type3=OSL,	angle_type=harmonic,	k_th=85,	theta_0=98,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=O2L,	particle_type2=PL,	particle_type3=O2L,	angle_type=harmonic,	k_th=120,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OHL,	angle_type=harmonic,	k_th=98.9,	theta_0=108.23,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=108.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=53.35,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=55,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=55,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CL,	particle_type3=OBL,	angle_type=SongHiLee,	k_th=90,	theta_0=125.9,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=O2L,	angle_type=harmonic,	k_th=98.9,	theta_0=111.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	angle_type=harmonic,	k_th=80,	theta_0=104.3,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OHL,	angle_type=harmonic,	k_th=48.1,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL5,	particle_type2=NTL,	particle_type3=CTL5,	angle_type=SongHiLee,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL5,	particle_type2=NTL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL2,	angle_type=harmonic,	k_th=42,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=22,	theta_0=117,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL1,	angle_type=harmonic,	k_th=52,	theta_0=119.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=40,	theta_0=116,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL1,	particle_type2=CTL1,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=HEL2,	angle_type=harmonic,	k_th=19,	theta_0=119,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=CEL2,	angle_type=harmonic,	k_th=55.5,	theta_0=120.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HEL2,	particle_type2=CEL2,	particle_type3=CEL1,	angle_type=harmonic,	k_th=45,	theta_0=120.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC30A,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=HCA3,	angle_type=SongHiLee,	k_th=35.5,	theta_0=108.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=37.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL3,	particle_type3=HAL3,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=75.7,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CTL1,	particle_type3=HAL1,	angle_type=harmonic,	k_th=45.9,	theta_0=108.89,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=harmonic,	k_th=55,	theta_0=110.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=harmonic,	k_th=55,	theta_0=110.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OHL,	particle_type2=CL,	particle_type3=OBL,	angle_type=SongHiLee,	k_th=50,	theta_0=123,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=harmonic,	k_th=45,	theta_0=111.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC325B,	particle_type2=OC305A,	particle_type3=CC325B,	angle_type=harmonic,	k_th=95,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	angle_type=SongHiLee,	k_th=58,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=67.7,	theta_0=110,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=SongHiLee,	k_th=45,	theta_0=107.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HL,	particle_type2=CTL5,	particle_type3=HL,	angle_type=SongHiLee,	k_th=24,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=HL,	angle_type=SongHiLee,	k_th=24,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HL,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL3,	angle_type=harmonic,	k_th=48,	theta_0=123.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	angle_type=harmonic,	k_th=48,	theta_0=123.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL1,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=harmonic,	k_th=32,	theta_0=112.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CEL1,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=32,	theta_0=112.2,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=53.35,	theta_0=108.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL1,	particle_type2=CTL1,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=53.35,	theta_0=111,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CEL1,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CL,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=HAL2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=OCL,	angle_type=SongHiLee,	k_th=100,	theta_0=124,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=40,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OCL,	particle_type2=CL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=40,	theta_0=118,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=37.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CEL1,	angle_type=harmonic,	k_th=42,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=HAL3,	angle_type=SongHiLee,	k_th=35.5,	theta_0=108.4,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=33.43,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CL,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC30A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.6,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=HCA2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=OC30A,	angle_type=harmonic,	k_th=45,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=HCA2,	angle_type=SongHiLee,	k_th=35.5,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC33A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC31A,	angle_type=SongHiLee,	k_th=34.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCL,	particle_type2=NH3L,	particle_type3=HCL,	angle_type=harmonic,	k_th=41,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCL,	particle_type2=NH3L,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=33,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	angle_type=SongHiLee,	k_th=58,	theta_0=106,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58,	theta_0=115,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CL,	angle_type=harmonic,	k_th=52,	theta_0=108,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=58.35,	theta_0=113.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=PL,	angle_type=SongHiLee,	k_th=20,	theta_0=120,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL3,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CL,	particle_type2=OSL,	particle_type3=CTL1,	angle_type=SongHiLee,	k_th=40,	theta_0=109.6,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OSL,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CTL2,	angle_type=SongHiLee,	k_th=26.5,	theta_0=110.1,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CTL2,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=OSL,	particle_type3=SL,	angle_type=SongHiLee,	k_th=15,	theta_0=109,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=CC32A,	particle_type2=OC30A,	particle_type3=CTL2,	angle_type=harmonic,	k_th=95,	theta_0=109.7,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OC30A,	particle_type2=CTL2,	particle_type3=CTL2,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=OC30A,	angle_type=harmonic,	k_th=60,	theta_0=109.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	angle:	particle_type1=OSL,	particle_type2=CC32A,	particle_type3=CC32A,	angle_type=harmonic,	k_th=45,	theta_0=111.5,	k_1=39.36892,	k_2=21.65365,	k=0,	cos_theta_0=0,	k_ub=16.0521,	S_0=2.561;
-	};
-torsions	{
-	torsion:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC30A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL2,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA3,	particle_type2=CC33A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=HEL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL3,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OBL,	particle_type2=CL,	particle_type3=OSL,	particle_type4=CTL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OHL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0;
-	torsion:	particle_type1=OHL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0;
-	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC305A,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325B,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA25A,	particle_type2=CC325B,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA25A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=NTL,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0,	k_4=0,	n_4=2,	delta_4=0;
-	torsion:	particle_type1=CC326A,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0,	k_4=0,	n_4=1,	delta_4=0;
-	torsion:	particle_type1=CC326A,	particle_type2=OC30A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=NH3L,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=5,	delta_1=0,	k_2=0,	n_2=5,	delta_2=0,	k_3=0,	n_3=5,	delta_3=0,	k_4=0,	n_4=5,	delta_4=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=6,	delta_1=0,	k_2=0,	n_2=6,	delta_2=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=OC305A,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC325B,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325B,	particle_type3=CC325B,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC33A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC325A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL1,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=5,	delta_1=0,	k_2=0,	n_2=5,	delta_2=0,	k_3=0,	n_3=5,	delta_3=0,	k_4=0,	n_4=5,	delta_4=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=O2L,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CEL2,	particle_type3=CEL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL5,	particle_type3=NTL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=CL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL3,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=NTL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=NH3L,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL2,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CL,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CL,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL3,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL2,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=CTL1,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=CTL1,	particle_type3=OHL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=X,	particle_type2=OHL,	particle_type3=PL,	particle_type4=X,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC30A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC30A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC31A,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=4,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0,	k_4=0,	n_4=1,	delta_4=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=OSL,	particle_type4=SL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HAL3,	particle_type2=CTL3,	particle_type3=CL,	particle_type4=OHL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=CC326A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC326A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC326A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=OSL,	particle_type2=CL,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=6,	delta_1=0;
-	torsion:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=OSL,	particle_type2=PL,	particle_type3=OSL,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC33A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=CC31A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC33A,	particle_type4=HCA3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA1,	particle_type2=CC31A,	particle_type3=CC31A,	particle_type4=HCA1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=HCA25A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CC325A,	particle_type2=CC325A,	particle_type3=CC325A,	particle_type4=CC325A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL3,	particle_type4=HAL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CEL1,	particle_type4=HEL1,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HEL1,	particle_type2=CEL1,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CEL1,	particle_type3=CEL2,	particle_type4=HEL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=2,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL3,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=2,	delta_1=0,	k_2=0,	n_2=2,	delta_2=0,	k_3=0,	n_3=2,	delta_3=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CL,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL1,	particle_type3=OSL,	particle_type4=CL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=1,	delta_1=0;
-	torsion:	particle_type1=CC32A,	particle_type2=OSL,	particle_type3=SL,	particle_type4=O2L,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CC32A,	particle_type3=OC30A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=3,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0,	k_3=0,	n_3=1,	delta_3=0;
-	torsion:	particle_type1=OC30A,	particle_type2=CC32A,	particle_type3=CTL2,	particle_type4=CTL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=HAL2,	particle_type2=CTL2,	particle_type3=CC32A,	particle_type4=OC30A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CTL2,	particle_type4=HAL2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=CTL2,	particle_type2=CTL2,	particle_type3=CC32A,	particle_type4=HCA2,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=OSL,	particle_type4=SL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	torsion:	particle_type1=OSL,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=CC32A,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=2,	k_1=0,	n_1=1,	delta_1=0,	k_2=0,	n_2=1,	delta_2=0;
-	torsion:	particle_type1=HCA2,	particle_type2=CC32A,	particle_type3=CC32A,	particle_type4=OSL,	torsion_type=cosine,	k=0,	a0=0,	a1=0,	a2=0,	a3=0,	a4=0,	a5=0,	mult=1,	k_1=0,	n_1=3,	delta_1=0;
-	};
-impropers	{
-	improper:	particle_type1=HEL2,	particle_type2=HEL2,	particle_type3=CEL2,	particle_type4=CEL2,	improper_type=harmonic,	k_psi=3,	psi_0=0;
-	improper:	particle_type1=OCL,	particle_type2=X,	particle_type3=X,	particle_type4=CL,	improper_type=harmonic,	k_psi=96,	psi_0=0;
-	improper:	particle_type1=OBL,	particle_type2=X,	particle_type3=X,	particle_type4=CL,	improper_type=harmonic,	k_psi=100,	psi_0=0;
-	};
-nonbonded_2body_potentials	{
-	ljspline:	particle_type1=CC30A,	particle_type2=CC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC30A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CTL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OBL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OBL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCA25A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA25A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=NTL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NTL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HOL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HOL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC326A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC326A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC33A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC33A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=NE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NE,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CLA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CLA,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=DUM,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=DUM,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=NA,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NA,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CC32A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC32A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=O2L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=O2L,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CC31A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC31A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OSL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OSL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CTL5,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL5,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=SL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=SL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HAL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HEL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HEL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HE,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HE,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HCA3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=OHL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OHL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=OC305A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC305A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CC325B,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325B,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=NH3L,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=NH3L,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CEL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CEL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=CTL1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HAL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=OCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OCL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=MG,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=MG,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=OC30A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=OC30A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=HAL3,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HAL3,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=HCA2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=PL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=PL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=HCA1,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCA1,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=HCL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=HCL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325A,	particle_type2=CC325A,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325A,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325A,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CC325A,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL2,	particle_type2=CTL2,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL2,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CTL2,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=POT,	particle_type2=POT,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=POT,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	ljspline:	particle_type1=CL,	particle_type2=CL,	r_cut=12.75,	r_l=11.3;
-	};
Index: tests/regression/Molecules/CreateMicelle/testsuite-molecules-create-micelle.at
===================================================================
--- tests/regression/Molecules/CreateMicelle/testsuite-molecules-create-micelle.at	(revision 2034f3c5f9db8e8024a0f4db0cd3d1231e98ac24)
+++ 	(revision )
@@ -1,41 +1,0 @@
-### create Micelle
-
-AT_SETUP([Molecules - Create micelle])
-AT_KEYWORDS([molecules create-micelle])
-
-file=tensid.data
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/pre/tensid.data $file], 0)
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/pre/tensid.potentials .], 0)
-AT_CHECK([chmod u+w $file], 0)
-AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --create-micelle 200 --position "0,0,10" --radius 50.], 0, [stdout], [stderr])
-AT_CHECK([grep "Shifting 194 copy of tenside molecule" stdout], 0, [ignore], [ignore])
-AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/post/tensid.data], 0, [ignore], [ignore])
-
-AT_CLEANUP
-
-
-AT_SETUP([Molecules - Create micelle with Undo])
-AT_KEYWORDS([molecules create-micelle undo])
-
-file=tensid.data
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/pre/tensid.data $file], 0)
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/pre/tensid.potentials .], 0)
-AT_CHECK([chmod u+w $file], 0)
-AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --create-micelle 200 --position "0,0,10" --radius 50. --undo], 0, [stdout], [stderr])
-AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/pre/$file], 0, [ignore], [ignore])
-
-AT_CLEANUP
-
-
-AT_SETUP([Molecules - Create micelle with Redo])
-AT_XFAIL_IF([/bin/true])
-AT_KEYWORDS([molecules create-micelle redo])
-
-file=tensid.data
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/pre/tensid.data $file], 0)
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/pre/tensid.potentials .], 0)
-AT_CHECK([chmod u+w $file], 0)
-AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --create-micelle 200 --position "0,0,10" --radius 50. --undo --redo], 0, [stdout], [stderr])
-AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/CreateMicelle/post/tensid.data], 0, [ignore], [ignore])
-
-AT_CLEANUP
Index: tests/regression/Molecules/testsuite-molecules.at
===================================================================
--- tests/regression/Molecules/testsuite-molecules.at	(revision 2034f3c5f9db8e8024a0f4db0cd3d1231e98ac24)
+++ tests/regression/Molecules/testsuite-molecules.at	(revision 91be2dbe71d6dc407a0ef58370bc1566d7b01d91)
@@ -12,7 +12,4 @@
 # copy molecule
 m4_include([Molecules/Copy/testsuite-molecules-copy-molecule.at])
-
-# create micelle
-m4_include([Molecules/CreateMicelle/testsuite-molecules-create-micelle.at])
 
 # Storing adjacency info
