@<TRIPOS>MOLECULE
101945877
284 287 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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224	H84    28.6215    -9.8000    -7.6931	H	1	noname	0.0279
225	H85    24.5646    -9.8370   -12.1003	H	1	noname	0.0566
226	H86    31.8136     2.5415     8.0588	H	1	noname	0.0380
227	H87    33.2570     2.1676     7.1594	H	1	noname	0.0380
228	H88    24.8388    -4.9303    -9.2937	H	1	noname	0.2101
229	H89    23.4361    -1.3246    12.4285	H	1	noname	0.1184
230	H90    24.8697    -0.5211    12.7190	H	1	noname	0.1184
231	H91    33.7143    -0.7750    10.5413	H	1	noname	0.1318
232	H92    26.2880   -10.4576   -13.7926	H	1	noname	0.0292
233	H93    26.4542    -8.7782   -14.2362	H	1	noname	0.0292
234	H94    26.0242    -8.6171    -6.6235	H	1	noname	0.0425
235	H95    27.1295    -9.6401    -5.6825	H	1	noname	0.0425
236	H96    32.0369    -3.0470    11.3657	H	1	noname	0.0566
237	H97    25.3756    -7.1356   -12.9407	H	1	noname	0.1318
238	H98    23.7585   -10.2028   -14.3630	H	1	noname	0.0361
239	H99    24.1028    -8.6849   -15.0106	H	1	noname	0.0361
240	H100    34.1206    -3.9630    12.4232	H	1	noname	0.0292
241	H101    35.0390    -2.7140    11.6517	H	1	noname	0.0292
242	H102    21.5374    -7.6854   -12.6053	H	1	noname	0.0569
243	H103    25.3902   -10.9405    -6.7945	H	1	noname	0.1184
244	H104    25.8362   -10.3240    -8.2799	H	1	noname	0.1184
245	H105    33.6702    -4.9256    10.1187	H	1	noname	0.0361
246	H106    34.5683    -3.6593     9.3931	H	1	noname	0.0361
247	H107    21.7899    -6.3904   -10.5199	H	1	noname	0.0318
248	H108    34.0432     6.0504     8.6509	H	1	noname	0.0343
249	H109    32.4631     5.4941     8.0491	H	1	noname	0.0343
250	H110    33.9409     5.1514     7.1181	H	1	noname	0.0343
251	H111    34.2488    -2.4257    13.8043	H	1	noname	0.1319
252	H112    33.3838     0.2954    14.4920	H	1	noname	0.0593
253	H113    22.8639    -9.7646   -11.0637	H	1	noname	0.1319
254	H114    20.0808    -7.4712    -9.1205	H	1	noname	0.0234
255	H115    19.6541    -7.4594   -10.8486	H	1	noname	0.0234
256	H116    22.1598    -7.4467    -8.3196	H	1	noname	0.0234
257	H117    22.6204    -8.9695    -9.1178	H	1	noname	0.0234
258	H118    23.6328    -7.5190    -9.3162	H	1	noname	0.0234
259	H119    20.2443    -8.9565   -10.0878	H	1	noname	0.0234
260	H120    37.9871    -6.0096    -6.5992	H	1	noname	0.1267
261	H121    37.8976    -4.3843    -7.5757	H	1	noname	0.1267
262	H122    36.4977    -4.0409    -8.2326	H	1	noname	0.1267
263	H123    36.6489    -6.8551    -6.5393	H	1	noname	0.1267
264	H124    33.9443    -2.0044    16.4839	H	1	noname	0.0619
265	H125    26.2448   -11.1435   -17.3249	H	1	noname	0.1271
266	H126    26.8109   -10.7102   -15.8050	H	1	noname	0.1271
267	H127    19.6954   -10.7452   -13.1777	H	1	noname	0.0556
268	H128    34.3760     0.2796    17.4265	H	1	noname	0.0257
269	H129    32.7092     0.7402    17.0047	H	1	noname	0.0257
270	H130    33.0018    -0.5414    18.2047	H	1	noname	0.0257
271	H131    37.3295    -5.5196    11.6403	H	1	noname	0.1271
272	H132    36.2716    -4.4169    12.3259	H	1	noname	0.1271
273	H133    35.7739    -0.6566    16.6177	H	1	noname	0.1319
274	H134    31.4523    -0.8212    15.7217	H	1	noname	0.2105
275	H135    38.0178    -0.6771    14.6815	H	1	noname	0.0583
276	H136    21.3260   -12.2693   -14.3796	H	1	noname	0.0251
277	H137    20.2709   -11.3460   -15.4763	H	1	noname	0.0251
278	H138    21.9604   -10.8416   -15.2326	H	1	noname	0.0251
279	H139    19.6522    -9.1947   -14.9220	H	1	noname	0.1191
280	H140    19.9687    -8.4466   -13.4641	H	1	noname	0.1191
281	H141    37.9838     0.4824    17.4929	H	1	noname	0.0394
282	H142    39.3281     0.4847    16.4222	H	1	noname	0.0394
283	H143    37.5666    -3.9470    16.3052	H	1	noname	0.2213
284	H144    37.7619     3.7377    16.3168	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	113	1
2	1	125	1
3	2	66	2
4	3	71	2
5	4	74	2
6	5	75	2
7	6	76	2
8	7	77	2
9	8	90	1
10	8	213	1
11	9	87	2
12	10	88	2
13	11	89	2
14	12	94	1
15	12	220	1
16	13	92	2
17	14	94	2
18	15	103	1
19	15	228	1
20	16	100	2
21	17	108	2
22	18	109	2
23	19	119	2
24	20	120	2
25	21	126	2
26	131	22	1
27	22	274	1
28	23	130	2
29	24	132	2
30	25	133	2
31	26	139	1
32	26	283	1
33	27	139	2
34	28	140	1
35	28	284	1
36	29	140	2
37	30	59	1
38	30	65	1
39	30	66	1
40	31	56	1
41	31	63	1
42	31	74	1
43	32	60	1
44	32	68	1
45	32	71	1
46	33	57	1
47	33	72	1
48	33	76	1
49	34	77	1
50	81	34	1
51	34	173	1
52	35	75	1
53	84	35	1
54	35	174	1
55	78	36	1
56	36	87	1
57	36	176	1
58	79	37	1
59	37	89	1
60	37	182	1
61	38	92	1
62	97	38	1
63	38	196	1
64	39	88	1
65	102	39	1
66	39	201	1
67	93	40	1
68	40	100	1
69	40	202	1
70	95	41	1
71	41	109	1
72	41	210	1
73	42	96	1
74	42	218	1
75	42	219	1
76	43	105	1
77	43	229	1
78	43	230	1
79	44	108	1
80	116	44	1
81	44	231	1
82	112	45	1
83	45	119	1
84	45	237	1
85	46	110	1
86	46	123	2
87	47	115	1
88	47	243	1
89	47	244	1
90	48	120	1
91	127	48	1
92	48	251	1
93	121	49	1
94	49	132	1
95	49	253	1
96	50	123	1
97	50	261	1
98	50	262	1
99	51	123	1
100	51	260	1
101	51	263	1
102	52	126	1
103	52	265	1
104	52	266	1
105	53	130	1
106	53	271	1
107	53	272	1
108	54	133	1
109	136	54	1
110	54	273	1
111	134	55	1
112	55	279	1
113	55	280	1
114	56	58	1
115	56	66	1
116	56	141	1
117	57	61	1
118	57	71	1
119	57	142	1
120	58	62	1
121	58	143	1
122	58	144	1
123	59	64	1
124	59	75	1
125	59	145	1
126	60	67	1
127	60	77	1
128	60	146	1
129	61	70	1
130	61	147	1
131	61	148	1
132	62	63	1
133	62	149	1
134	62	150	1
135	63	151	1
136	63	152	1
137	64	69	1
138	64	153	1
139	64	154	1
140	65	69	1
141	65	155	1
142	65	156	1
143	67	73	1
144	67	157	1
145	67	158	1
146	68	73	1
147	68	159	1
148	68	160	1
149	69	161	1
150	69	162	1
151	70	72	1
152	70	163	1
153	70	164	1
154	72	165	1
155	72	166	1
156	73	167	1
157	73	168	1
158	74	78	1
159	76	79	1
160	78	80	1
161	78	169	1
162	79	83	1
163	79	170	1
164	80	82	1
165	80	171	1
166	80	172	1
167	81	85	1
168	81	88	1
169	81	175	1
170	82	86	1
171	82	177	1
172	82	178	1
173	83	94	1
174	83	179	1
175	83	180	1
176	84	90	1
177	84	92	1
178	84	181	1
179	85	91	1
180	85	183	1
181	85	184	1
182	86	96	1
183	86	185	1
184	86	186	1
185	87	95	1
186	89	93	1
187	90	187	1
188	90	188	1
189	91	99	1
190	91	189	1
191	91	190	1
192	93	98	1
193	93	191	1
194	95	103	1
195	95	192	1
196	96	193	1
197	96	194	1
198	97	100	1
199	97	101	1
200	97	195	1
201	98	104	1
202	98	197	1
203	98	198	1
204	99	105	1
205	99	199	1
206	99	200	1
207	101	106	1
208	101	203	1
209	101	204	1
210	102	107	1
211	102	108	1
212	102	205	1
213	103	206	1
214	103	207	1
215	104	110	1
216	104	208	1
217	104	209	1
218	105	211	1
219	105	212	1
220	106	111	1
221	106	214	1
222	106	215	1
223	107	113	1
224	107	216	1
225	107	217	1
226	109	112	1
227	110	221	1
228	110	222	1
229	111	115	1
230	111	223	1
231	111	224	1
232	112	114	1
233	112	225	1
234	113	226	1
235	113	227	1
236	114	117	1
237	114	232	1
238	114	233	1
239	115	234	1
240	115	235	1
241	116	118	1
242	116	120	1
243	116	236	1
244	117	126	1
245	117	238	1
246	117	239	1
247	118	122	1
248	118	240	1
249	118	241	1
250	119	121	1
251	121	124	1
252	121	242	1
253	122	130	1
254	122	245	1
255	122	246	1
256	124	128	1
257	124	129	1
258	124	247	1
259	125	248	1
260	125	249	1
261	125	250	1
262	127	131	1
263	127	133	1
264	127	252	1
265	128	254	1
266	128	255	1
267	128	259	1
268	129	256	1
269	129	257	1
270	129	258	1
271	131	135	1
272	131	264	1
273	132	134	1
274	134	137	1
275	134	267	1
276	135	268	1
277	135	269	1
278	135	270	1
279	136	138	1
280	136	139	1
281	136	275	1
282	137	276	1
283	137	277	1
284	137	278	1
285	138	140	1
286	138	281	1
287	138	282	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
