@<TRIPOS>MOLECULE
119058018
352 357 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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217	H42    -4.5890   -20.0377   -15.6033	H	1	noname	0.0425
218	H43     3.4733   -14.7444    -5.9235	H	1	noname	0.1319
219	H44    -0.3630   -26.3601   -11.4940	H	1	noname	0.0287
220	H45    -0.0959   -25.4104   -12.9323	H	1	noname	0.0287
221	H46     9.1389   -22.8603    -3.0916	H	1	noname	0.0566
222	H47    -2.7856   -26.1381   -11.7153	H	1	noname	0.0268
223	H48    -2.6184   -24.9428   -13.0175	H	1	noname	0.0268
224	H49     9.1558   -23.3520    -0.5903	H	1	noname	0.0287
225	H50     9.7714   -21.7703    -0.3281	H	1	noname	0.0287
226	H51     2.7045   -21.5868    -1.5702	H	1	noname	0.1318
227	H52     1.5718   -24.1972    -1.7582	H	1	noname	0.0566
228	H53     5.7189   -22.1508    -6.1716	H	1	noname	0.2104
229	H54    -5.2087   -18.1891   -16.9762	H	1	noname	0.1184
230	H55    -4.2891   -17.1457   -16.0537	H	1	noname	0.1184
231	H56    -1.8127   -27.8598   -13.1587	H	1	noname	0.0279
232	H57    -1.4879   -26.6692   -14.4437	H	1	noname	0.0279
233	H58     5.9684   -14.7835    -7.8132	H	1	noname	0.0575
234	H59     0.9018   -25.5471    -9.4517	H	1	noname	0.1319
235	H60     0.1275   -24.0173     0.1796	H	1	noname	0.0290
236	H61     1.8606   -24.1135     0.5335	H	1	noname	0.0290
237	H62    11.1510   -23.9683    -1.9485	H	1	noname	0.0268
238	H63    11.7819   -22.3283    -1.8079	H	1	noname	0.0268
239	H64    10.4916   -20.5995    -2.3197	H	1	noname	0.1318
240	H65     0.2674   -21.5598     0.7329	H	1	noname	0.0298
241	H66     3.1594   -23.6286    -9.7578	H	1	noname	0.0575
242	H67    11.3140   -24.2084     0.5297	H	1	noname	0.0279
243	H68    11.9522   -22.5788     0.6682	H	1	noname	0.0279
244	H69    -4.2377   -27.3895   -13.3722	H	1	noname	0.0425
245	H70    -3.8934   -26.1783   -14.6303	H	1	noname	0.0425
246	H71     6.8741   -17.3278    -6.4505	H	1	noname	0.0410
247	H72     7.1078   -16.8363    -8.0668	H	1	noname	0.0410
248	H73     6.4861   -15.2686    -5.0419	H	1	noname	0.1319
249	H74    11.5339   -19.3966    -4.0083	H	1	noname	0.0575
250	H75    -2.2598   -21.9777    -2.8398	H	1	noname	0.0566
251	H76    -0.2187   -21.0211    -0.9693	H	1	noname	0.1318
252	H77     1.9810   -24.7277    -7.2048	H	1	noname	0.0410
253	H78     3.5529   -23.9524    -7.3390	H	1	noname	0.0410
254	H79     0.6034   -21.8890     3.1675	H	1	noname	0.0233
255	H80     2.3456   -20.7307     1.8016	H	1	noname	0.0233
256	H81     2.6511   -21.2467     0.1257	H	1	noname	0.0233
257	H82    -0.3323   -23.2302     2.4646	H	1	noname	0.0233
258	H83     1.3918   -23.4524     2.8473	H	1	noname	0.0233
259	H84     3.1340   -22.2941     1.4814	H	1	noname	0.0233
260	H85    -1.6052   -16.0674    -4.2878	H	1	noname	0.0410
261	H86    -1.6421   -16.1578    -2.4874	H	1	noname	0.0410
262	H87    13.2015   -24.8669    -0.9356	H	1	noname	0.0425
263	H88    13.8555   -23.2141    -0.8401	H	1	noname	0.0425
264	H89    -0.3453   -18.0307    -4.4329	H	1	noname	0.0575
265	H90     9.2532   -17.8771    -4.4162	H	1	noname	0.0410
266	H91    10.9101   -17.3477    -4.5808	H	1	noname	0.0410
267	H92    -3.7432   -20.4479    -1.5370	H	1	noname	0.0287
268	H93    -2.4071   -20.0052    -0.5304	H	1	noname	0.0287
269	H94    -4.4875   -28.2896   -15.5661	H	1	noname	0.1184
270	H95    -3.2309   -29.0418   -14.7658	H	1	noname	0.1184
271	H96    10.5833   -21.0201    -6.0371	H	1	noname	0.1319
272	H97    -1.9497   -18.4337    -1.9749	H	1	noname	0.1319
273	H98    -3.6044   -22.7991    -0.7478	H	1	noname	0.0268
274	H99    -2.1698   -22.4231     0.2117	H	1	noname	0.0268
275	H100     5.4658   -11.7922    -6.1837	H	1	noname	0.0571
276	H101     3.8039   -25.0180   -11.4571	H	1	noname	0.1318
277	H102     5.0577   -27.5859   -10.7791	H	1	noname	0.0566
278	H103    14.9039   -24.6778     0.7233	H	1	noname	0.1184
279	H104    13.4358   -25.0365     1.4313	H	1	noname	0.1184
280	H105    -4.9200   -21.1862     0.6014	H	1	noname	0.0279
281	H106    -3.4947   -20.7767     1.5572	H	1	noname	0.0279
282	H107    12.2623   -22.0145    -7.4124	H	1	noname	0.0566
283	H108     4.9073   -26.0127   -13.4015	H	1	noname	0.0287
284	H109     5.5871   -27.6111   -13.1928	H	1	noname	0.0287
285	H110     2.8013   -12.7774    -5.2375	H	1	noname	0.0394
286	H111     2.9290   -11.3755    -6.2336	H	1	noname	0.0394
287	H112     1.2273   -19.7683    -1.6681	H	1	noname	0.1319
288	H113     2.2239   -20.8460    -3.1226	H	1	noname	0.0575
289	H114     3.9823   -13.7688    -7.7069	H	1	noname	0.1319
290	H115    13.4802   -21.6129    -9.5294	H	1	noname	0.0288
291	H116    13.3925   -19.8583    -9.2007	H	1	noname	0.0288
292	H117     0.4462   -20.0322    -5.0546	H	1	noname	0.0410
293	H118     1.9846   -19.6365    -5.6975	H	1	noname	0.0410
294	H119    -4.7461   -23.5508     1.3229	H	1	noname	0.0425
295	H120    -3.2882   -23.1580     2.2653	H	1	noname	0.0425
296	H121     2.6604   -27.0239   -12.6771	H	1	noname	0.0268
297	H122     3.4028   -28.5959   -12.7041	H	1	noname	0.0268
298	H123    11.2614   -20.3574    -9.5298	H	1	noname	0.1318
299	H124    14.8934   -20.1124    -7.2682	H	1	noname	0.0280
300	H125    15.6823   -20.5721    -8.8079	H	1	noname	0.0280
301	H126     6.4904   -26.5281    -9.1696	H	1	noname	0.1319
302	H127     3.3197   -26.6323   -15.0594	H	1	noname	0.0279
303	H128     4.0250   -28.2320   -15.1452	H	1	noname	0.0279
304	H129     9.3995   -21.5076   -10.6062	H	1	noname	0.0566
305	H130     5.9759   -23.9534    -9.3226	H	1	noname	0.0571
306	H131     5.5418   -10.9819   -10.0472	H	1	noname	0.0559
307	H132    14.3101   -22.5783    -6.9514	H	1	noname	0.0432
308	H133    15.1736   -22.9422    -8.3962	H	1	noname	0.0432
309	H134     7.9310   -19.7117    -8.5756	H	1	noname	0.0288
310	H135     9.2060   -19.2502    -9.7035	H	1	noname	0.0288
311	H136    -5.2498   -23.1628     3.6211	H	1	noname	0.1184
312	H137    -5.9626   -21.9976     2.6622	H	1	noname	0.1184
313	H138     6.9862   -21.9877    -9.2081	H	1	noname	0.1318
314	H139     1.1033   -27.5892   -14.4961	H	1	noname	0.0425
315	H140     1.7971   -29.2277   -14.5462	H	1	noname	0.0425
316	H141     6.5747   -10.4977    -7.2446	H	1	noname	0.0288
317	H142     7.2582    -9.9170    -8.7821	H	1	noname	0.0288
318	H143     6.0311   -25.0770    -7.2566	H	1	noname	0.0394
319	H144     7.0519   -23.6935    -7.1666	H	1	noname	0.0394
320	H145     3.6217   -18.6468    -5.2573	H	1	noname	0.1318
321	H146     6.3899   -20.0313   -10.4970	H	1	noname	0.0280
322	H147     7.0911   -18.4088   -10.4403	H	1	noname	0.0280
323	H148     5.5459   -17.6863    -5.2124	H	1	noname	0.0563
324	H149    17.0973   -22.0724    -7.3101	H	1	noname	0.1306
325	H150     7.0101   -12.8391    -7.9354	H	1	noname	0.0280
326	H151     7.6936   -12.2584    -9.4729	H	1	noname	0.0280
327	H152     3.8024    -9.7355    -9.5145	H	1	noname	0.1191
328	H153     4.2264    -9.6121    -7.9051	H	1	noname	0.1191
329	H154     2.6079    -9.7425    -3.2548	H	1	noname	0.2213
330	H155     6.9901   -19.6473   -12.7798	H	1	noname	0.0432
331	H156     8.2166   -20.6608   -12.1788	H	1	noname	0.0432
332	H157     0.7338   -28.6482   -16.6004	H	1	noname	0.1184
333	H158     1.7238   -27.3170   -16.7823	H	1	noname	0.1184
334	H159     8.7522   -11.5898    -6.6892	H	1	noname	0.0432
335	H160     9.4357   -11.0091    -8.2267	H	1	noname	0.0432
336	H161     5.9618   -16.0714    -3.3118	H	1	noname	0.0251
337	H162     4.3224   -15.9653    -3.9970	H	1	noname	0.0251
338	H163     4.5895   -16.8141    -2.4554	H	1	noname	0.0251
339	H164     8.5762   -17.8459   -12.3753	H	1	noname	0.1306
340	H165     9.7903   -13.2234    -8.7919	H	1	noname	0.1306
341	H166     8.8889   -26.0408    -5.2744	H	1	noname	0.2213
342	H167    18.3079   -22.7743    -5.6835	H	1	noname	0.1267
343	H168    17.7526   -23.9006    -4.7180	H	1	noname	0.1267
344	H169     7.6066   -17.2273    -3.2102	H	1	noname	0.1271
345	H170     8.2966   -18.7304    -2.9904	H	1	noname	0.1271
346	H171    16.4328   -25.4815    -5.8880	H	1	noname	0.1898
347	H172    10.4109   -17.2781   -13.3788	H	1	noname	0.1267
348	H173     9.9887   -17.4213   -14.8987	H	1	noname	0.1267
349	H174     9.6130   -19.6711   -15.4917	H	1	noname	0.1898
350	H175    11.3174   -14.5962    -7.7147	H	1	noname	0.1267
351	H176    11.8936   -14.0612    -6.3396	H	1	noname	0.1267
352	H177    11.9352   -11.6119    -6.3129	H	1	noname	0.1898
@<TRIPOS>BOND
1	1	2	1
2	1	100	1
3	2	125	1
4	3	4	1
5	3	120	1
6	4	131	1
7	5	6	1
8	5	124	1
9	6	146	1
10	77	7	1
11	7	189	1
12	81	8	1
13	8	190	1
14	9	82	2
15	10	83	2
16	11	84	2
17	86	12	1
18	12	202	1
19	13	90	2
20	14	92	2
21	98	15	1
22	15	228	1
23	16	103	2
24	17	104	2
25	18	105	2
26	19	108	2
27	20	117	2
28	21	121	2
29	22	128	2
30	23	133	2
31	24	134	2
32	25	138	2
33	26	139	2
34	27	147	2
35	28	154	1
36	28	329	1
37	29	151	2
38	30	152	2
39	31	154	2
40	32	156	2
41	33	161	2
42	34	169	1
43	34	341	1
44	35	169	2
45	36	173	2
46	37	75	1
47	37	79	1
48	37	82	1
49	38	74	1
50	38	80	1
51	38	83	1
52	39	84	1
53	39	87	1
54	39	191	1
55	40	85	1
56	40	92	1
57	40	194	1
58	41	90	1
59	41	95	1
60	41	206	1
61	42	96	1
62	42	99	1
63	42	103	1
64	43	93	1
65	43	108	1
66	43	218	1
67	44	104	1
68	44	110	1
69	44	226	1
70	45	101	1
71	45	229	1
72	45	230	1
73	46	105	1
74	46	116	1
75	46	234	1
76	47	106	1
77	47	121	1
78	47	239	1
79	112	48	1
80	48	133	1
81	48	248	1
82	49	117	1
83	49	123	1
84	49	251	1
85	50	118	1
86	50	269	1
87	50	270	1
88	51	122	1
89	51	139	1
90	51	271	1
91	52	130	1
92	52	134	1
93	52	272	1
94	53	128	1
95	53	137	1
96	53	276	1
97	54	129	1
98	54	278	1
99	54	279	1
100	55	138	1
101	55	144	1
102	55	287	1
103	136	56	1
104	56	151	1
105	56	289	1
106	57	141	1
107	57	156	1
108	57	298	1
109	58	147	1
110	58	157	1
111	58	301	1
112	59	148	1
113	59	311	1
114	59	312	1
115	60	155	1
116	60	161	1
117	60	313	1
118	61	152	1
119	166	61	1
120	61	320	1
121	62	159	1
122	62	172	1
123	62	324	1
124	158	63	1
125	63	327	1
126	63	328	1
127	64	162	1
128	64	332	1
129	64	333	1
130	65	168	1
131	65	174	1
132	65	339	1
133	66	170	1
134	66	175	1
135	66	340	1
136	67	172	1
137	67	342	1
138	67	343	1
139	68	173	1
140	68	344	1
141	68	345	1
142	69	172	2
143	69	346	1
144	70	174	1
145	70	347	1
146	70	348	1
147	71	174	2
148	71	349	1
149	72	175	1
150	72	350	1
151	72	351	1
152	73	175	2
153	73	352	1
154	74	76	1
155	74	82	1
156	74	176	1
157	75	78	1
158	75	84	1
159	75	177	1
160	76	77	1
161	76	178	1
162	76	179	1
163	77	80	1
164	77	180	1
165	78	81	1
166	78	181	1
167	78	182	1
168	79	81	1
169	79	183	1
170	79	184	1
171	80	185	1
172	80	186	1
173	81	187	1
174	83	85	1
175	85	86	1
176	85	188	1
177	86	89	1
178	86	192	1
179	87	88	1
180	87	90	1
181	87	193	1
182	88	91	1
183	88	195	1
184	88	196	1
185	89	197	1
186	89	198	1
187	89	199	1
188	91	94	1
189	91	200	1
190	91	201	1
191	92	93	1
192	93	100	1
193	93	203	1
194	94	101	1
195	94	204	1
196	94	205	1
197	95	102	1
198	95	105	1
199	95	207	1
200	96	97	1
201	96	104	1
202	96	208	1
203	97	98	1
204	97	209	1
205	97	210	1
206	98	99	1
207	98	211	1
208	99	212	1
209	99	213	1
210	100	214	1
211	100	215	1
212	101	216	1
213	101	217	1
214	102	107	1
215	102	219	1
216	102	220	1
217	103	106	1
218	106	109	1
219	106	221	1
220	107	111	1
221	107	222	1
222	107	223	1
223	108	112	1
224	109	114	1
225	109	224	1
226	109	225	1
227	110	113	1
228	110	117	1
229	110	227	1
230	111	118	1
231	111	231	1
232	111	232	1
233	112	120	1
234	112	233	1
235	113	115	1
236	113	235	1
237	113	236	1
238	114	119	1
239	114	237	1
240	114	238	1
241	115	126	1
242	115	127	1
243	115	240	1
244	116	124	1
245	116	128	1
246	116	241	1
247	118	244	1
248	118	245	1
249	119	129	1
250	119	242	1
251	119	243	1
252	120	246	1
253	120	247	1
254	121	122	1
255	122	131	1
256	122	249	1
257	123	132	1
258	123	134	1
259	123	250	1
260	124	252	1
261	124	253	1
262	125	130	1
263	125	260	1
264	125	261	1
265	126	254	1
266	126	257	1
267	126	258	1
268	127	255	1
269	127	256	1
270	127	259	1
271	129	262	1
272	129	263	1
273	130	138	1
274	130	264	1
275	131	265	1
276	131	266	1
277	132	135	1
278	132	267	1
279	132	268	1
280	133	136	1
281	135	140	1
282	135	273	1
283	135	274	1
284	136	143	1
285	136	275	1
286	137	142	1
287	137	147	1
288	137	277	1
289	139	141	1
290	140	148	1
291	140	280	1
292	140	281	1
293	141	145	1
294	141	282	1
295	142	149	1
296	142	283	1
297	142	284	1
298	143	154	1
299	143	285	1
300	143	286	1
301	144	146	1
302	144	152	1
303	144	288	1
304	145	150	1
305	145	290	1
306	145	291	1
307	146	292	1
308	146	293	1
309	148	294	1
310	148	295	1
311	149	153	1
312	149	296	1
313	149	297	1
314	150	159	1
315	150	299	1
316	150	300	1
317	151	158	1
318	153	162	1
319	153	302	1
320	153	303	1
321	155	156	1
322	155	160	1
323	155	304	1
324	157	161	1
325	157	164	1
326	157	305	1
327	158	163	1
328	158	306	1
329	159	307	1
330	159	308	1
331	160	165	1
332	160	309	1
333	160	310	1
334	162	314	1
335	162	315	1
336	163	167	1
337	163	316	1
338	163	317	1
339	164	169	1
340	164	318	1
341	164	319	1
342	165	168	1
343	165	321	1
344	165	322	1
345	166	171	1
346	166	173	1
347	166	323	1
348	167	170	1
349	167	325	1
350	167	326	1
351	168	330	1
352	168	331	1
353	170	334	1
354	170	335	1
355	171	336	1
356	171	337	1
357	171	338	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
