@<TRIPOS>MOLECULE
118984446
330 336 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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2	S2     9.4987    12.0819    13.3310	S.3	1	noname	-0.0918
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231	H60    15.2942     7.2639    14.0509	H	1	noname	0.0287
232	H61    16.0339     6.4550    12.6728	H	1	noname	0.0287
233	H62    -6.5706    28.0392    23.3838	H	1	noname	0.0623
234	H63    15.9930    17.1251    12.8013	H	1	noname	0.0569
235	H64    15.1435    12.6584     8.2148	H	1	noname	0.0566
236	H65    10.9021     7.7034    14.5241	H	1	noname	0.0566
237	H66    14.8092     4.9575    15.0432	H	1	noname	0.0268
238	H67    15.7405     4.2786    13.6960	H	1	noname	0.0268
239	H68    12.2406    19.2844    14.3859	H	1	noname	0.0569
240	H69    13.1177    10.8544    12.9610	H	1	noname	0.0575
241	H70    14.8668    12.0190    13.4598	H	1	noname	0.1319
242	H71    12.5783     9.6986    10.5853	H	1	noname	0.0571
243	H72     0.5790    21.8292    15.4057	H	1	noname	0.2213
244	H73    16.0637    15.9733    15.4654	H	1	noname	0.1319
245	H74    12.5687     7.3662    11.4629	H	1	noname	0.1318
246	H75    14.7417    14.6667    10.2928	H	1	noname	0.1318
247	H76    12.5815    17.1210     8.4891	H	1	noname	0.1318
248	H77    13.0014     6.1314    15.6131	H	1	noname	0.1318
249	H78    10.8210     8.7905    16.7054	H	1	noname	0.0293
250	H79    12.2756     7.9261    17.2434	H	1	noname	0.0293
251	H80    16.4612    19.2787    14.0397	H	1	noname	0.0337
252	H81    16.6514    18.3554    15.5183	H	1	noname	0.0337
253	H82    16.3694    12.5036    10.9836	H	1	noname	0.0296
254	H83    17.0495    13.6085     9.8795	H	1	noname	0.0296
255	H84    10.8440    21.4512    12.0676	H	1	noname	0.1319
256	H85    17.7639    11.2219    16.3552	H	1	noname	0.0234
257	H86    16.1456    10.7886    15.7880	H	1	noname	0.0234
258	H87    16.3552    11.9769    17.0859	H	1	noname	0.0234
259	H88    18.5729    11.8686    14.0405	H	1	noname	0.0234
260	H89    17.0210    11.4942    13.2845	H	1	noname	0.0234
261	H90    17.7596    13.0898    13.0916	H	1	noname	0.0234
262	H91    19.0112    16.7855    10.7041	H	1	noname	0.0233
263	H92    18.8818    17.1136     8.3442	H	1	noname	0.0233
264	H93    17.3854    17.1035     7.4367	H	1	noname	0.0233
265	H94    17.7799    18.4969     8.4632	H	1	noname	0.0233
266	H95    17.7213    16.1790    11.6586	H	1	noname	0.0233
267	H96    17.7750    17.9297    11.2509	H	1	noname	0.0233
268	H97    16.7635     6.2711    15.8085	H	1	noname	0.0279
269	H98    17.7253     5.6487    14.4567	H	1	noname	0.0279
270	H99     8.5254    21.7418    13.2546	H	1	noname	0.0410
271	H100     8.7646    23.1731    14.2688	H	1	noname	0.0410
272	H101    10.3227    18.7169    12.9392	H	1	noname	0.0337
273	H102    11.2681    18.9946    11.5594	H	1	noname	0.0337
274	H103    14.2561    18.8071    12.2897	H	1	noname	0.1319
275	H104    10.9020    10.0635    14.4958	H	1	noname	0.1319
276	H105    15.2912    10.6757    10.5888	H	1	noname	0.1319
277	H106    12.3311    20.5118    17.9041	H	1	noname	0.0808
278	H107    13.2128     7.8349     9.0335	H	1	noname	0.0394
279	H108    14.8297     8.5115     8.8469	H	1	noname	0.0394
280	H109    11.1328    11.1854    11.8869	H	1	noname	0.0410
281	H110    11.5045    12.7489    12.4113	H	1	noname	0.0410
282	H111    11.5912    19.2730     7.4483	H	1	noname	0.0590
283	H112     9.6621     6.6042    16.3365	H	1	noname	0.0373
284	H113    11.0559     5.7690    17.0565	H	1	noname	0.0373
285	H114    17.2449    11.4197     8.2550	H	1	noname	0.0380
286	H115    18.4883    11.9911     9.3622	H	1	noname	0.0380
287	H116    16.5758     3.9747    16.7706	H	1	noname	0.0425
288	H117    17.5162     3.3202    15.4060	H	1	noname	0.0425
289	H118    14.2413    21.6023    19.1013	H	1	noname	0.1531
290	H119    13.3915    23.3093    20.7113	H	1	noname	0.1013
291	H120    11.4805    21.7691     7.5888	H	1	noname	0.0585
292	H121    13.0663    21.3232     6.9509	H	1	noname	0.0585
293	H122    11.8197    20.4688    10.1199	H	1	noname	0.1319
294	H123    18.3630    19.8082    12.7763	H	1	noname	0.0626
295	H124    18.6226    16.5461    15.4534	H	1	noname	0.0626
296	H125     9.8709    18.0069     8.6516	H	1	noname	0.0590
297	H126    11.3214    16.7221    14.4539	H	1	noname	0.0625
298	H127    11.4565    17.0274    10.2662	H	1	noname	0.0625
299	H128     7.8910    16.5737    12.4810	H	1	noname	0.0575
300	H129    18.7719     3.7027    17.3492	H	1	noname	0.1184
301	H130    18.3651     5.2933    17.3746	H	1	noname	0.1184
302	H131     6.9681    14.0861    12.2269	H	1	noname	0.0410
303	H132     8.0760    13.9737    10.8652	H	1	noname	0.0410
304	H133     8.1066    18.6474    10.8895	H	1	noname	0.1319
305	H134    20.7465    19.7639    12.4914	H	1	noname	0.0650
306	H135    21.0272    16.5768    15.2122	H	1	noname	0.0650
307	H136     7.4137    18.2901     7.8980	H	1	noname	0.0585
308	H137     8.6855    19.1090     7.0018	H	1	noname	0.0585
309	H138    12.6205    14.7262    14.3389	H	1	noname	0.0622
310	H139    12.4389    14.8456    10.1601	H	1	noname	0.0622
311	H140     5.9601    15.9229    10.3437	H	1	noname	0.1319
312	H141     6.4082    22.0324    12.2569	H	1	noname	0.0410
313	H142     7.4103    21.3641    10.9714	H	1	noname	0.0410
314	H143     5.8155    22.0431     9.2546	H	1	noname	0.0568
315	H144    13.3938    13.8784    12.1674	H	1	noname	0.0622
316	H145    13.1176    22.9206     8.5198	H	1	noname	0.2101
317	H146     3.7230    18.3570    11.1402	H	1	noname	0.0590
318	H147    18.4915     7.9810     9.8492	H	1	noname	0.0343
319	H148    18.1522     8.8165     8.3142	H	1	noname	0.0343
320	H149    19.5530     9.3047     9.3079	H	1	noname	0.0343
321	H150    13.3405     9.3405     5.7372	H	1	noname	0.2213
322	H151     8.6059     6.2282    19.8053	H	1	noname	0.2213
323	H152     6.2114    19.5452    10.1515	H	1	noname	0.1319
324	H153     3.9073    16.6286     9.3238	H	1	noname	0.0585
325	H154     5.3166    17.4523     8.6583	H	1	noname	0.0585
326	H155     7.0141    20.2528     8.9645	H	1	noname	0.2101
327	H156     4.3282    23.3078    11.4281	H	1	noname	0.1191
328	H157     3.8198    23.1591     9.8455	H	1	noname	0.1191
329	H158    22.8175    17.4743    14.2560	H	1	noname	0.2181
330	H159     3.3963    17.9526     7.5368	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	5	1
2	1	129	1
3	2	4	1
4	2	137	1
5	3	142	1
6	3	168	1
7	4	156	1
8	5	164	1
9	6	67	2
10	7	71	2
11	8	74	2
12	9	83	2
13	10	85	1
14	10	228	1
15	11	85	2
16	12	93	1
17	12	243	1
18	13	91	2
19	14	93	2
20	15	106	2
21	16	114	2
22	17	115	2
23	18	118	2
24	19	124	2
25	20	127	2
26	21	130	2
27	22	131	2
28	23	132	2
29	24	133	2
30	25	138	2
31	26	146	1
32	26	316	1
33	27	149	1
34	27	321	1
35	28	152	1
36	28	322	1
37	29	149	2
38	30	151	2
39	31	152	2
40	32	160	1
41	32	326	1
42	33	161	1
43	33	329	1
44	34	159	2
45	35	169	2
46	36	170	2
47	37	171	1
48	37	330	1
49	65	38	1
50	38	67	1
51	38	176	1
52	63	39	1
53	39	74	1
54	39	181	1
55	40	71	1
56	77	40	1
57	40	192	1
58	73	41	1
59	41	83	1
60	41	202	1
61	78	42	1
62	42	91	1
63	42	206	1
64	43	90	1
65	43	92	1
66	43	215	1
67	89	44	1
68	44	106	1
69	44	219	1
70	45	97	1
71	45	124	1
72	45	241	1
73	46	109	1
74	46	114	1
75	46	244	1
76	47	101	1
77	47	131	1
78	47	245	1
79	48	110	1
80	48	115	1
81	48	246	1
82	49	98	1
83	49	138	1
84	49	247	1
85	50	111	1
86	50	118	1
87	50	248	1
88	51	104	1
89	51	130	1
90	51	255	1
91	52	113	1
92	52	127	1
93	52	274	1
94	53	116	1
95	53	133	1
96	53	275	1
97	54	117	1
98	54	132	1
99	54	276	1
100	55	107	1
101	55	145	2
102	56	135	1
103	56	145	1
104	56	289	1
105	57	139	1
106	57	151	1
107	57	293	1
108	58	143	1
109	58	300	1
110	58	301	1
111	59	150	1
112	59	159	1
113	59	304	1
114	60	155	1
115	60	169	1
116	60	311	1
117	61	167	1
118	61	170	1
119	61	323	1
120	165	62	1
121	62	327	1
122	62	328	1
123	63	64	1
124	63	67	1
125	63	172	1
126	64	68	1
127	64	70	1
128	64	173	1
129	65	66	1
130	65	71	1
131	65	174	1
132	66	69	1
133	66	72	1
134	66	175	1
135	68	75	1
136	68	177	1
137	68	178	1
138	69	76	1
139	69	179	1
140	69	180	1
141	70	182	1
142	70	183	1
143	70	184	1
144	72	185	1
145	72	186	1
146	72	187	1
147	73	74	1
148	73	81	1
149	73	188	1
150	75	189	1
151	75	190	1
152	75	191	1
153	76	193	1
154	76	194	1
155	76	195	1
156	77	79	1
157	77	85	1
158	77	196	1
159	78	80	1
160	78	83	1
161	78	197	1
162	79	84	1
163	79	198	1
164	79	199	1
165	80	82	1
166	80	200	1
167	80	201	1
168	81	93	1
169	81	203	1
170	81	204	1
171	82	87	1
172	82	88	1
173	82	205	1
174	84	86	1
175	84	90	2
176	86	92	1
177	86	95	2
178	87	207	1
179	87	208	1
180	87	209	1
181	88	210	1
182	88	211	1
183	88	212	1
184	89	91	1
185	89	94	1
186	89	213	1
187	90	214	1
188	92	96	2
189	94	107	1
190	94	216	1
191	94	217	1
192	95	103	1
193	95	218	1
194	96	108	1
195	96	220	1
196	97	100	1
197	97	114	1
198	97	221	1
199	98	99	1
200	98	115	1
201	98	222	1
202	99	102	1
203	99	223	1
204	99	224	1
205	100	122	1
206	100	123	1
207	100	225	1
208	101	105	1
209	101	118	1
210	101	226	1
211	102	125	1
212	102	126	1
213	102	227	1
214	103	108	2
215	103	230	1
216	104	106	1
217	104	129	1
218	104	229	1
219	105	112	1
220	105	231	1
221	105	232	1
222	107	135	2
223	108	233	1
224	109	120	1
225	109	127	1
226	109	234	1
227	110	121	1
228	110	132	1
229	110	235	1
230	111	119	1
231	111	133	1
232	111	236	1
233	112	128	1
234	112	237	1
235	112	238	1
236	113	130	1
237	113	134	1
238	113	239	1
239	116	124	1
240	116	137	1
241	116	240	1
242	117	131	1
243	117	136	1
244	117	242	1
245	119	140	1
246	119	249	1
247	119	250	1
248	120	141	1
249	120	251	1
250	120	252	1
251	121	142	1
252	121	253	1
253	121	254	1
254	122	256	1
255	122	257	1
256	122	258	1
257	123	259	1
258	123	260	1
259	123	261	1
260	125	263	1
261	125	264	1
262	125	265	1
263	126	262	1
264	126	266	1
265	126	267	1
266	128	143	1
267	128	268	1
268	128	269	1
269	129	270	1
270	129	271	1
271	134	144	1
272	134	272	1
273	134	273	1
274	135	277	1
275	136	149	1
276	136	278	1
277	136	279	1
278	137	280	1
279	137	281	1
280	138	139	1
281	139	146	1
282	139	282	1
283	140	152	1
284	140	283	1
285	140	284	1
286	141	147	2
287	141	148	1
288	142	285	1
289	142	286	1
290	143	287	1
291	143	288	1
292	144	153	2
293	144	154	1
294	145	290	1
295	146	291	1
296	146	292	1
297	147	157	1
298	147	294	1
299	148	158	2
300	148	295	1
301	150	151	1
302	150	160	1
303	150	296	1
304	153	162	1
305	153	297	1
306	154	163	2
307	154	298	1
308	155	156	1
309	155	159	1
310	155	299	1
311	156	302	1
312	156	303	1
313	157	161	2
314	157	305	1
315	158	161	1
316	158	306	1
317	160	307	1
318	160	308	1
319	162	166	2
320	162	309	1
321	163	166	1
322	163	310	1
323	164	165	1
324	164	312	1
325	164	313	1
326	165	170	1
327	165	314	1
328	166	315	1
329	167	169	1
330	167	171	1
331	167	317	1
332	168	318	1
333	168	319	1
334	168	320	1
335	171	324	1
336	171	325	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
