@<TRIPOS>MOLECULE
118984442
364 367 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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218	H29   -11.6076   -13.4764     0.6832	H	1	noname	0.0296
219	H30   -10.5430   -14.0845    -0.5737	H	1	noname	0.0296
220	H31   -11.0031   -14.8693     2.9231	H	1	noname	0.1318
221	H32    -9.9988   -16.0654     4.8019	H	1	noname	0.0566
222	H33   -11.1908   -14.0907     5.7777	H	1	noname	0.0288
223	H34    -9.6793   -13.4842     6.3944	H	1	noname	0.0288
224	H35   -12.0841   -15.8311     1.3655	H	1	noname	0.0380
225	H36   -10.9773   -16.4330     0.1403	H	1	noname	0.0380
226	H37    -3.1929    -5.4855    -8.7402	H	1	noname	0.1318
227	H38    -3.9644    -6.2963   -11.3612	H	1	noname	0.0563
228	H39   -11.0187   -16.0286     7.3305	H	1	noname	0.0280
229	H40    -9.4648   -15.4495     7.9457	H	1	noname	0.0280
230	H41    -7.7019   -14.8985     6.1329	H	1	noname	0.1318
231	H42   -12.1307   -13.9182     7.8824	H	1	noname	0.0432
232	H43   -10.6070   -13.2150     8.4280	H	1	noname	0.0432
233	H44    16.5895     4.4344    -7.2985	H	1	noname	0.0566
234	H45    -1.4299    -9.8896   -11.5976	H	1	noname	0.0566
235	H46    -1.9316    -5.0712   -12.0203	H	1	noname	0.0251
236	H47    -2.9709    -4.1167   -10.9354	H	1	noname	0.0251
237	H48    -1.4930    -4.8831   -10.3055	H	1	noname	0.0251
238	H49    16.7489     2.9691    -5.3616	H	1	noname	0.0288
239	H50    17.8041     4.3622    -5.1732	H	1	noname	0.0288
240	H51    -2.5569    -7.5357   -12.8155	H	1	noname	0.1318
241	H52     8.1641    -5.5949   -13.1128	H	1	noname	0.0290
242	H53     8.5716    -5.8843   -14.8115	H	1	noname	0.0290
243	H54    10.3144    -6.7555   -12.4946	H	1	noname	0.0298
244	H55    16.2602     0.0698    -9.0597	H	1	noname	0.0569
245	H56     8.4079    -8.2934   -14.5187	H	1	noname	0.0566
246	H57    18.7043     1.5542    -5.8134	H	1	noname	0.0280
247	H58    19.8079     2.9632    -5.7848	H	1	noname	0.0280
248	H59    -1.7243    -9.0696   -14.5243	H	1	noname	0.0292
249	H60    -1.2216   -10.6419   -13.9493	H	1	noname	0.0292
250	H61    -4.9783   -13.6906    -3.7162	H	1	noname	0.2213
251	H62    -7.2652    -5.0089     4.7397	H	1	noname	0.1267
252	H63    -7.2832    -3.4370     4.5450	H	1	noname	0.1267
253	H64    17.8426     2.2424    -8.5806	H	1	noname	0.1318
254	H65    14.4482     2.0477   -10.5108	H	1	noname	0.0337
255	H66    15.4584     0.7287   -11.1025	H	1	noname	0.0337
256	H67    -5.5548    -2.7152     3.0014	H	1	noname	0.1898
257	H68   -10.5587   -14.9154    10.0551	H	1	noname	0.1306
258	H69    -5.5293   -15.1329     5.3263	H	1	noname	0.0529
259	H70    -5.1725   -16.6952     4.6054	H	1	noname	0.0529
260	H71    17.9296     2.1160    -3.5353	H	1	noname	0.0432
261	H72    19.0201     3.4965    -3.4846	H	1	noname	0.0432
262	H73    20.4053     6.7748    -8.1256	H	1	noname	0.0581
263	H74    13.4329     0.8677    -8.7583	H	1	noname	0.1319
264	H75    -3.9662    -9.4800   -13.3813	H	1	noname	0.0361
265	H76    -3.4351   -11.0192   -12.8753	H	1	noname	0.0361
266	H77    17.9706     6.3114    -6.6306	H	1	noname	0.1319
267	H78    11.9338    -7.2529   -14.3053	H	1	noname	0.0233
268	H79    10.4531    -8.2236   -14.4881	H	1	noname	0.0233
269	H80    10.7154    -6.7973   -15.5202	H	1	noname	0.0233
270	H81    11.8107    -4.9595   -13.3217	H	1	noname	0.0233
271	H82    10.2422    -4.2963   -12.8038	H	1	noname	0.0233
272	H83    10.5922    -4.5039   -14.5366	H	1	noname	0.0233
273	H84   -14.7665   -17.0512    -1.5790	H	1	noname	0.0343
274	H85   -14.4144   -17.2360     0.1560	H	1	noname	0.0343
275	H86   -13.3210   -17.9479    -1.0548	H	1	noname	0.0343
276	H87     6.1222    -6.6087   -13.8825	H	1	noname	0.1318
277	H88     2.6593    -8.7950   -11.7582	H	1	noname	0.0590
278	H89    11.6647    -1.1158    -8.9975	H	1	noname	0.0590
279	H90     0.6879   -10.7560   -12.4261	H	1	noname	0.1319
280	H91    18.9802     8.5208    -6.0595	H	1	noname	0.0337
281	H92    20.4225     8.8885    -7.0558	H	1	noname	0.0337
282	H93    10.8473    -5.4253    -7.0723	H	1	noname	0.0571
283	H94    -6.0975   -14.7707     2.7380	H	1	noname	0.1315
284	H95    12.5117    -3.6014    -8.0600	H	1	noname	0.1319
285	H96     6.8130    -6.8635   -11.5020	H	1	noname	0.1316
286	H97     4.0170    -8.5719   -16.0411	H	1	noname	0.0529
287	H98     4.3080    -6.8951   -15.3328	H	1	noname	0.0529
288	H99    20.7722     1.9481    -3.8067	H	1	noname	0.1306
289	H100    10.8469    -0.7302    -6.7464	H	1	noname	0.0585
290	H101    12.2456     0.3320    -7.0358	H	1	noname	0.0585
291	H102     2.5847   -10.8637   -10.5737	H	1	noname	0.0585
292	H103     2.8011   -11.7897   -12.0784	H	1	noname	0.0585
293	H104     6.2194    -6.3863    -6.5363	H	1	noname	0.0575
294	H105     6.6674    -9.3238   -10.1901	H	1	noname	0.0529
295	H106     8.1343    -8.6963    -9.7796	H	1	noname	0.0529
296	H107     3.4052    -7.5301   -13.4394	H	1	noname	0.1316
297	H108    18.0276     1.0748   -11.1439	H	1	noname	0.0625
298	H109    15.3287     4.2957   -10.5929	H	1	noname	0.0625
299	H110     9.8971    -6.5025    -9.0685	H	1	noname	0.0382
300	H111    11.0135    -5.2094    -9.5306	H	1	noname	0.0382
301	H112     8.0030    -4.7047    -7.2078	H	1	noname	0.1319
302	H113     7.2602    -8.8899    -7.6415	H	1	noname	0.1319
303	H114     7.0161    -9.1830    -5.5915	H	1	noname	0.0410
304	H115     7.0652    -7.8595    -4.4512	H	1	noname	0.0410
305	H116    -0.1554   -14.4702    -0.5084	H	1	noname	0.0569
306	H117    -4.4487   -14.9040     0.6624	H	1	noname	0.0529
307	H118    -4.1600   -13.5126     1.4914	H	1	noname	0.0529
308	H119    19.7890     2.6579   -11.5936	H	1	noname	0.0622
309	H120    17.1172     5.8488   -11.0361	H	1	noname	0.0622
310	H121    20.3150     9.6546    -9.2749	H	1	noname	0.0626
311	H122    16.8205     8.6698    -7.1111	H	1	noname	0.0626
312	H123   -11.7039   -15.2958    11.8182	H	1	noname	0.1267
313	H124   -13.0945   -14.5658    12.0237	H	1	noname	0.1267
314	H125     1.6163   -11.9510    -3.9412	H	1	noname	0.0575
315	H126    19.3537     5.0430   -11.5132	H	1	noname	0.0622
316	H127     0.2936   -14.3079     1.7936	H	1	noname	0.0337
317	H128     1.5508   -13.4580     0.9404	H	1	noname	0.0337
318	H129    -1.8511   -15.2881     1.2060	H	1	noname	0.1316
319	H130    -2.1066   -10.7614   -16.0305	H	1	noname	0.1271
320	H131    -3.4056   -11.4602   -16.8290	H	1	noname	0.1271
321	H132   -13.0643   -12.3300    11.1003	H	1	noname	0.1898
322	H133    -0.5812   -11.7584    -1.2952	H	1	noname	0.1319
323	H134     3.1583    -9.7955    -2.4947	H	1	noname	0.0410
324	H135     3.8163   -11.3799    -2.5510	H	1	noname	0.0410
325	H136    12.3663    -0.7596    -4.9849	H	1	noname	0.2101
326	H137    18.9621    10.6651   -10.9749	H	1	noname	0.0650
327	H138    15.2985     9.6907    -8.8332	H	1	noname	0.0650
328	H139     4.8033   -11.4601   -10.9405	H	1	noname	0.2101
329	H140    21.9853     5.0944    -5.2354	H	1	noname	0.2213
330	H141     0.3433   -10.1639    -3.8568	H	1	noname	0.1319
331	H142     1.8641   -10.2740    -0.5514	H	1	noname	0.0590
332	H143    21.6228     0.3981    -2.5907	H	1	noname	0.1267
333	H144    20.8334    -0.1183    -1.3182	H	1	noname	0.1267
334	H145     3.6945   -10.5168     0.6666	H	1	noname	0.0590
335	H146    19.5790     1.6686    -0.2701	H	1	noname	0.1898
336	H147     2.2826    -7.4013    -0.7245	H	1	noname	0.1319
337	H148     6.4390   -13.2956     0.4464	H	1	noname	0.0559
338	H149     4.6191   -14.5680    -0.9127	H	1	noname	0.0288
339	H150     6.2652   -14.3706    -1.3882	H	1	noname	0.0288
340	H151     7.4266    -5.3049    -8.8674	H	1	noname	0.1271
341	H152     7.0690    -4.4149   -10.2367	H	1	noname	0.1271
342	H153    -0.4783    -9.7790     0.0475	H	1	noname	0.0585
343	H154     0.6872    -9.1811     1.2526	H	1	noname	0.0585
344	H155    -1.7065   -12.4165     2.4985	H	1	noname	0.0625
345	H156     2.4393   -11.7316     2.1734	H	1	noname	0.0625
346	H157     4.0850   -12.8190    -2.6853	H	1	noname	0.0280
347	H158     5.8154   -12.8378    -3.1019	H	1	noname	0.0280
348	H159     6.0935    -9.4157    -0.4827	H	1	noname	0.1319
349	H160     4.0944    -9.1901     2.6915	H	1	noname	0.0585
350	H161     5.7006    -8.7455     2.0662	H	1	noname	0.0585
351	H162    15.4259    10.7192   -10.8368	H	1	noname	0.2181
352	H163     3.9561   -15.2585    -3.1104	H	1	noname	0.0432
353	H164     5.6865   -15.2773    -3.5270	H	1	noname	0.0432
354	H165    -2.0156   -10.2341     3.3816	H	1	noname	0.0622
355	H166     2.1376    -9.5964     3.2662	H	1	noname	0.0622
356	H167    -0.0973    -8.7867     3.7647	H	1	noname	0.0622
357	H168     3.6346   -12.6507     0.3150	H	1	noname	0.1191
358	H169     4.4275   -13.8431     1.1721	H	1	noname	0.1191
359	H170    -0.9241    -7.5935     0.7090	H	1	noname	0.2101
360	H171     3.6533   -13.7692    -4.8536	H	1	noname	0.1306
361	H172     5.7763   -10.5884     3.4842	H	1	noname	0.2101
362	H173     3.9242   -14.3322    -7.0867	H	1	noname	0.1267
363	H174     3.1134   -15.6908    -7.0093	H	1	noname	0.1267
364	H175     4.2591   -17.3011    -5.5618	H	1	noname	0.1898
@<TRIPOS>BOND
1	1	101	1
2	1	128	1
3	2	3	1
4	2	154	1
5	3	168	1
6	4	84	2
7	5	85	2
8	6	89	2
9	7	94	2
10	8	96	2
11	9	100	1
12	9	250	1
13	10	99	2
14	11	100	2
15	12	106	2
16	13	115	2
17	14	118	2
18	15	119	2
19	16	121	2
20	17	129	2
21	18	134	2
22	19	140	1
23	19	325	1
24	20	141	1
25	20	328	1
26	21	135	2
27	22	147	1
28	22	329	1
29	23	139	2
30	24	143	2
31	25	144	2
32	26	147	2
33	27	151	2
34	28	152	2
35	29	153	2
36	30	165	2
37	31	166	2
38	32	171	1
39	32	351	1
40	33	167	2
41	34	174	2
42	35	178	1
43	35	359	1
44	36	179	2
45	37	184	1
46	37	361	1
47	38	183	2
48	39	79	1
49	39	84	1
50	39	195	1
51	40	81	1
52	40	89	1
53	40	206	1
54	41	85	1
55	41	91	1
56	41	210	1
57	42	88	1
58	42	94	1
59	42	215	1
60	43	90	1
61	43	104	1
62	43	217	1
63	44	93	1
64	44	99	1
65	44	220	1
66	45	96	1
67	45	102	1
68	45	226	1
69	46	97	1
70	46	115	1
71	46	230	1
72	47	106	1
73	47	108	1
74	47	240	1
75	48	104	1
76	48	251	1
77	48	252	1
78	107	49	1
79	49	118	1
80	49	253	1
81	50	104	2
82	50	256	1
83	51	105	1
84	51	137	1
85	51	257	1
86	113	52	1
87	52	134	1
88	52	263	1
89	53	119	1
90	125	53	1
91	53	266	1
92	54	114	1
93	54	135	1
94	54	276	1
95	55	121	1
96	55	130	1
97	55	279	1
98	56	122	1
99	56	152	1
100	56	283	1
101	131	57	1
102	57	143	1
103	57	284	1
104	58	129	1
105	58	146	1
106	58	285	1
107	59	123	1
108	59	161	1
109	59	288	1
110	60	138	1
111	60	139	1
112	60	296	1
113	136	61	1
114	61	151	1
115	61	301	1
116	62	145	1
117	62	153	1
118	62	302	1
119	63	137	1
120	63	312	1
121	63	313	1
122	64	144	1
123	64	319	1
124	64	320	1
125	65	156	1
126	65	165	1
127	65	318	1
128	66	137	2
129	66	321	1
130	67	155	1
131	67	167	1
132	67	322	1
133	162	68	1
134	68	174	1
135	68	330	1
136	69	161	1
137	69	332	1
138	69	333	1
139	70	161	2
140	70	335	1
141	173	71	1
142	71	179	1
143	71	336	1
144	72	166	1
145	72	340	1
146	72	341	1
147	175	73	1
148	73	183	1
149	73	348	1
150	176	74	1
151	74	357	1
152	74	358	1
153	75	185	1
154	75	189	1
155	75	360	1
156	76	189	1
157	76	362	1
158	76	363	1
159	77	189	2
160	77	364	1
161	78	79	1
162	78	80	1
163	78	82	1
164	78	190	1
165	79	85	1
166	79	191	1
167	80	87	1
168	80	192	1
169	80	193	1
170	81	83	1
171	81	84	1
172	81	194	1
173	82	196	1
174	82	197	1
175	82	198	1
176	83	86	1
177	83	199	1
178	83	200	1
179	86	90	1
180	86	201	1
181	86	202	1
182	87	203	1
183	87	204	1
184	87	205	1
185	88	89	1
186	88	92	1
187	88	207	1
188	90	208	1
189	90	209	1
190	91	96	1
191	91	211	1
192	91	212	1
193	92	100	1
194	92	213	1
195	92	214	1
196	93	94	1
197	93	95	1
198	93	216	1
199	95	101	1
200	95	218	1
201	95	219	1
202	97	98	1
203	97	99	1
204	97	221	1
205	98	103	1
206	98	222	1
207	98	223	1
208	101	224	1
209	101	225	1
210	102	106	1
211	102	109	1
212	102	227	1
213	103	105	1
214	103	228	1
215	103	229	1
216	105	231	1
217	105	232	1
218	107	110	1
219	107	119	1
220	107	233	1
221	108	116	1
222	108	121	1
223	108	234	1
224	109	235	1
225	109	236	1
226	109	237	1
227	110	117	1
228	110	238	1
229	110	239	1
230	111	112	1
231	114	111	1
232	111	241	1
233	111	242	1
234	112	126	1
235	112	127	1
236	112	243	1
237	113	118	1
238	113	120	1
239	113	244	1
240	114	129	1
241	114	245	1
242	115	122	1
243	116	124	1
244	116	248	1
245	116	249	1
246	117	123	1
247	117	246	1
248	117	247	1
249	120	132	1
250	120	254	1
251	120	255	1
252	122	258	1
253	122	259	1
254	123	260	1
255	123	261	1
256	124	144	1
257	124	264	1
258	124	265	1
259	125	133	1
260	125	147	1
261	125	262	1
262	126	270	1
263	126	271	1
264	126	272	1
265	127	267	1
266	127	268	1
267	127	269	1
268	128	273	1
269	128	274	1
270	128	275	1
271	130	139	1
272	130	141	1
273	130	277	1
274	131	134	1
275	131	140	1
276	131	278	1
277	132	148	2
278	132	149	1
279	133	142	1
280	133	280	1
281	133	281	1
282	135	138	1
283	136	143	1
284	136	150	1
285	136	282	1
286	138	286	1
287	138	287	1
288	140	289	1
289	140	290	1
290	141	291	1
291	141	292	1
292	142	159	2
293	142	160	1
294	145	151	1
295	145	154	1
296	145	293	1
297	146	153	1
298	146	294	1
299	146	295	1
300	148	157	1
301	148	297	1
302	149	158	2
303	149	298	1
304	150	166	1
305	150	299	1
306	150	300	1
307	152	156	1
308	154	303	1
309	154	304	1
310	155	164	1
311	155	165	1
312	155	305	1
313	156	306	1
314	156	307	1
315	157	163	2
316	157	308	1
317	158	163	1
318	158	309	1
319	159	169	1
320	159	310	1
321	160	170	2
322	160	311	1
323	162	167	1
324	162	168	1
325	162	314	1
326	163	315	1
327	164	172	1
328	164	316	1
329	164	317	1
330	168	323	1
331	168	324	1
332	169	171	2
333	169	326	1
334	170	171	1
335	170	327	1
336	172	180	2
337	172	181	1
338	173	174	1
339	173	178	1
340	173	331	1
341	175	179	1
342	175	184	1
343	175	334	1
344	176	177	1
345	176	183	1
346	176	337	1
347	177	182	1
348	177	338	1
349	177	339	1
350	178	342	1
351	178	343	1
352	180	186	1
353	180	344	1
354	181	187	2
355	181	345	1
356	182	185	1
357	182	346	1
358	182	347	1
359	184	349	1
360	184	350	1
361	185	352	1
362	185	353	1
363	186	188	2
364	186	354	1
365	187	188	1
366	187	355	1
367	188	356	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
