@<TRIPOS>MOLECULE
71306404
538 574 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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444	H114   -14.0930    -2.8844    15.6048	H	1	noname	0.0759
445	H115     4.4255   -32.0673     2.0022	H	1	noname	0.0657
446	H116     4.3866   -34.4866     2.4603	H	1	noname	0.0674
447	H117    -2.7110   -23.1179     6.5898	H	1	noname	0.0529
448	H118    -3.1724   -22.6407     8.2414	H	1	noname	0.0529
449	H119    -1.4680   -22.9798     7.8564	H	1	noname	0.0529
450	H120   -19.7046    -6.0521    13.6012	H	1	noname	0.0529
451	H121   -19.2269    -7.0917    14.9648	H	1	noname	0.0529
452	H122   -18.3269    -7.1662    13.4309	H	1	noname	0.0529
453	H123     4.1827   -26.0299    -4.8547	H	1	noname	0.1016
454	H124     1.6174   -34.3414     3.1142	H	1	noname	0.0816
455	H125   -13.2088   -11.2981    24.2304	H	1	noname	0.2283
456	H126     0.3159   -12.7068    11.9504	H	1	noname	0.2283
457	H127     3.2904   -15.9194     0.4836	H	1	noname	0.0759
458	H128   -16.7916    -1.6672    21.1165	H	1	noname	0.0529
459	H129   -16.7263    -0.6270    19.6735	H	1	noname	0.0529
460	H130   -15.5972    -0.3509    21.0215	H	1	noname	0.0529
461	H131   -11.0141    -4.3774    25.5092	H	1	noname	0.2283
462	H132   -12.2592    -6.0598    12.5772	H	1	noname	0.0591
463	H133   -11.1440    -5.0750    13.4991	H	1	noname	0.0591
464	H134    -2.1267   -25.9057     8.1466	H	1	noname	0.0759
465	H135     1.2076   -30.3572     0.8830	H	1	noname	0.0605
466	H136     2.8492   -29.9974     1.4940	H	1	noname	0.0605
467	H137    -1.5867    -8.0500    16.7910	H	1	noname	0.2283
468	H138    -3.5669   -14.7935     4.8482	H	1	noname	0.2283
469	H139    -6.7682    -8.4496     9.9918	H	1	noname	0.2283
470	H140    -6.2585    -3.8278    16.9279	H	1	noname	0.2283
471	H141     5.2945   -21.7953     0.7084	H	1	noname	0.0529
472	H142     3.9659   -21.7253    -0.4741	H	1	noname	0.0529
473	H143     4.9459   -20.2753    -0.1496	H	1	noname	0.0529
474	H144   -19.1651    -7.6109    18.8778	H	1	noname	0.2283
475	H145    -7.8353     3.1429    22.4392	H	1	noname	0.1417
476	H146    -8.2562     1.8039    18.5801	H	1	noname	0.0685
477	H147    -0.7639   -29.9053     3.7688	H	1	noname	0.0529
478	H148    -0.9733   -29.4118     5.4661	H	1	noname	0.0529
479	H149     0.6438   -29.8373     4.8560	H	1	noname	0.0529
480	H150    -3.7732     0.1042    12.3997	H	1	noname	0.1417
481	H151    -6.1128    -1.4374     9.3946	H	1	noname	0.0685
482	H152     7.1190   -28.8147    -3.3857	H	1	noname	0.0529
483	H153     5.5615   -28.4586    -4.1703	H	1	noname	0.0529
484	H154     6.7284   -27.1479    -3.8729	H	1	noname	0.0529
485	H155    -4.9087   -19.7261    13.1503	H	1	noname	0.1417
486	H156    -0.9248   -20.7271    13.1873	H	1	noname	0.0685
487	H157   -12.1511    -5.7930    21.0075	H	1	noname	0.2283
488	H158     2.7480   -18.9704     7.5725	H	1	noname	0.2283
489	H159   -12.4688    -2.0695    14.0453	H	1	noname	0.0666
490	H160    -1.5691   -22.2362     1.2767	H	1	noname	0.2283
491	H161   -19.7241    -2.8032    18.9316	H	1	noname	0.1400
492	H162     4.9682   -25.8385     4.4347	H	1	noname	0.2283
493	H163   -13.2037   -15.7354    14.2272	H	1	noname	0.1400
494	H164     1.0280    -4.9467     4.3081	H	1	noname	0.1400
495	H165     2.4263   -14.3285    -1.0871	H	1	noname	0.0666
496	H166    -1.8568   -25.8530    10.5246	H	1	noname	0.0666
497	H167    -8.8784   -15.5811    16.5679	H	1	noname	0.1062
498	H168    -8.2952   -10.9806    23.2404	H	1	noname	0.1062
499	H169   -10.9567    -9.9410    13.5854	H	1	noname	0.0759
500	H170     0.8440   -29.3266    -1.8403	H	1	noname	0.2283
501	H171    -9.3770    -3.6236    15.8929	H	1	noname	0.2283
502	H172     5.2551   -33.2771     0.2266	H	1	noname	0.2106
503	H173   -16.9135     4.1176    21.3578	H	1	noname	0.1400
504	H174   -12.4059    -8.0006    19.6749	H	1	noname	0.0529
505	H175   -13.2178    -8.7321    18.2699	H	1	noname	0.0529
506	H176   -12.9805    -6.9695    18.3426	H	1	noname	0.0529
507	H177   -10.0630    -6.4397    11.9508	H	1	noname	0.2101
508	H178    -6.3477   -14.5272    20.1405	H	1	noname	0.1258
509	H179    -5.5314   -13.2568    19.6621	H	1	noname	0.1258
510	H180   -10.6295   -14.3494    21.8139	H	1	noname	0.1258
511	H181   -11.2698   -13.8356    20.4592	H	1	noname	0.1258
512	H182     5.6902   -20.3224    -2.4349	H	1	noname	0.1062
513	H183     0.7496   -32.9345     5.0142	H	1	noname	0.0759
514	H184   -18.1229    -3.1250    17.7405	H	1	noname	0.1268
515	H185   -17.1542    -4.3373    18.0581	H	1	noname	0.1268
516	H186   -15.5610   -13.2036    14.3591	H	1	noname	0.1268
517	H187   -15.4394   -14.6507    13.7264	H	1	noname	0.1268
518	H188     2.9862    -5.1678     5.1813	H	1	noname	0.1268
519	H189     3.1120    -6.2073     6.3699	H	1	noname	0.1268
520	H190   -10.1242   -12.1872    13.4321	H	1	noname	0.0666
521	H191     2.3054   -36.9499     1.1820	H	1	noname	0.0529
522	H192     1.9713   -36.0395     2.6746	H	1	noname	0.0529
523	H193     3.6260   -36.5913     2.3202	H	1	noname	0.0529
524	H194   -12.5799    -3.2412    10.6712	H	1	noname	0.1257
525	H195   -12.5097    -1.8446    11.4153	H	1	noname	0.1257
526	H196     4.2727   -20.3084    -6.5627	H	1	noname	0.1258
527	H197     3.2370   -21.5065    -6.5930	H	1	noname	0.1258
528	H198    -0.1069   -15.3118    -3.4141	H	1	noname	0.1257
529	H199     0.1651   -14.0960    -2.4359	H	1	noname	0.1257
530	H200   -16.8059     3.0406    23.2261	H	1	noname	0.1268
531	H201   -16.6107     1.4729    23.1105	H	1	noname	0.1268
532	H202     1.3024   -26.6997    11.9829	H	1	noname	0.1257
533	H203    -0.2101   -27.1205    12.1931	H	1	noname	0.1257
534	H204     0.9958   -32.6827     7.3880	H	1	noname	0.0666
535	H205   -10.0822   -14.1783    14.3995	H	1	noname	0.1257
536	H206   -11.2767   -14.6094    15.3463	H	1	noname	0.1257
537	H207     4.1745   -33.2976     8.9190	H	1	noname	0.1257
538	H208     2.6670   -33.7106     9.1761	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	23	1
2	1	39	1
3	1	69	1
4	1	76	2
5	2	24	1
6	2	42	1
7	2	70	1
8	2	77	2
9	3	22	1
10	3	48	1
11	3	71	1
12	3	79	2
13	4	28	1
14	4	51	1
15	4	72	1
16	4	80	2
17	5	26	1
18	5	53	1
19	5	73	1
20	5	81	2
21	6	31	1
22	6	44	1
23	6	74	1
24	6	82	2
25	7	30	1
26	7	50	1
27	7	75	1
28	7	84	2
29	8	37	1
30	8	49	1
31	8	78	1
32	8	86	2
33	9	46	1
34	9	58	1
35	9	88	1
36	9	91	2
37	10	43	1
38	10	61	1
39	10	89	1
40	10	92	2
41	11	52	1
42	11	64	1
43	11	90	1
44	11	94	2
45	12	56	1
46	12	65	1
47	12	93	1
48	12	95	2
49	13	59	1
50	13	87	1
51	13	99	1
52	13	103	2
53	14	66	1
54	14	68	1
55	14	100	1
56	14	104	2
57	15	179	1
58	15	187	1
59	16	184	1
60	16	189	1
61	17	183	1
62	17	190	1
63	18	185	1
64	18	192	1
65	19	191	1
66	19	195	1
67	20	196	1
68	20	202	1
69	21	198	1
70	21	203	1
71	22	174	1
72	23	175	1
73	24	176	1
74	25	204	1
75	25	210	1
76	26	177	1
77	27	207	1
78	27	213	1
79	28	186	1
80	29	212	1
81	29	216	1
82	30	193	1
83	31	194	1
84	32	178	1
85	32	254	1
86	33	180	1
87	33	257	1
88	34	181	1
89	34	258	1
90	35	182	1
91	35	260	1
92	36	219	1
93	36	230	1
94	37	201	1
95	38	188	1
96	38	266	1
97	39	211	1
98	40	224	1
99	40	232	1
100	41	228	1
101	41	231	1
102	42	215	1
103	43	200	1
104	44	217	1
105	45	197	1
106	45	271	1
107	46	208	1
108	47	199	1
109	47	273	1
110	48	226	1
111	49	218	1
112	50	222	1
113	51	229	1
114	52	214	1
115	53	233	1
116	54	205	1
117	54	279	1
118	55	206	1
119	55	280	1
120	56	220	1
121	57	209	1
122	57	285	1
123	58	234	1
124	59	223	1
125	60	221	1
126	60	291	1
127	61	236	1
128	62	225	1
129	62	294	1
130	63	227	1
131	63	297	1
132	64	237	1
133	65	238	1
134	66	235	1
135	67	251	1
136	67	252	1
137	68	245	1
138	69	455	1
139	70	456	1
140	71	461	1
141	72	467	1
142	73	468	1
143	74	469	1
144	75	470	1
145	78	474	1
146	83	272	1
147	83	282	1
148	85	249	1
149	85	322	1
150	87	289	1
151	88	487	1
152	89	488	1
153	90	490	1
154	93	492	1
155	96	278	1
156	96	327	1
157	97	261	2
158	98	264	2
159	99	500	1
160	100	501	1
161	101	276	1
162	101	502	1
163	102	269	2
164	105	277	2
165	106	287	1
166	106	507	1
167	107	286	2
168	108	290	2
169	109	293	2
170	110	298	2
171	111	299	2
172	112	304	2
173	113	305	2
174	114	309	2
175	115	311	2
176	116	320	2
177	117	325	2
178	118	187	1
179	118	239	1
180	118	244	1
181	119	189	1
182	119	240	1
183	119	246	1
184	120	192	1
185	120	241	1
186	120	247	1
187	121	190	1
188	121	242	1
189	121	248	1
190	122	195	1
191	122	243	1
192	122	250	1
193	123	202	1
194	123	261	1
195	123	262	1
196	124	203	1
197	124	264	1
198	124	265	1
199	125	216	1
200	125	255	1
201	125	268	1
202	126	210	1
203	126	269	1
204	126	270	1
205	127	213	1
206	127	274	1
207	127	277	1
208	128	231	1
209	128	275	1
210	128	281	1
211	129	230	1
212	129	284	1
213	129	286	1
214	130	232	1
215	130	288	1
216	130	290	1
217	131	244	2
218	131	253	1
219	132	246	2
220	132	256	1
221	133	247	2
222	133	259	1
223	134	248	2
224	134	263	1
225	135	250	2
226	135	267	1
227	136	239	1
228	136	306	2
229	137	240	1
230	137	307	2
231	138	241	1
232	138	308	2
233	139	252	1
234	139	318	1
235	139	320	1
236	140	242	1
237	140	314	2
238	141	261	1
239	141	304	1
240	141	475	1
241	142	264	1
242	142	305	1
243	142	480	1
244	143	243	1
245	143	315	2
246	144	268	2
247	144	283	1
248	145	269	1
249	145	309	1
250	145	485	1
251	146	255	1
252	146	319	2
253	147	281	2
254	147	296	1
255	148	293	1
256	148	306	1
257	148	491	1
258	149	298	1
259	149	307	1
260	149	493	1
261	150	299	1
262	150	308	1
263	150	494	1
264	151	282	1
265	151	324	1
266	151	325	1
267	152	277	1
268	152	313	2
269	153	275	1
270	153	323	2
271	154	286	1
272	154	317	2
273	155	290	1
274	155	321	2
275	156	300	2
276	156	314	1
277	157	301	2
278	157	315	1
279	158	311	1
280	158	319	1
281	158	503	1
282	159	300	1
283	159	508	1
284	159	509	1
285	160	301	1
286	160	510	1
287	160	511	1
288	161	306	1
289	161	514	1
290	161	515	1
291	162	307	1
292	162	516	1
293	162	517	1
294	163	308	1
295	163	518	1
296	163	519	1
297	164	316	2
298	164	323	1
299	165	313	1
300	165	524	1
301	165	525	1
302	166	320	1
303	166	328	2
304	167	316	1
305	167	526	1
306	167	527	1
307	168	317	1
308	168	528	1
309	168	529	1
310	169	319	1
311	169	530	1
312	169	531	1
313	170	321	1
314	170	532	1
315	170	533	1
316	171	325	1
317	171	330	2
318	172	328	1
319	172	535	1
320	172	536	1
321	173	330	1
322	173	537	1
323	173	538	1
324	174	178	1
325	174	179	1
326	174	331	1
327	175	180	1
328	175	184	1
329	175	332	1
330	176	181	1
331	176	183	1
332	176	333	1
333	177	182	1
334	177	185	1
335	177	334	1
336	178	187	1
337	178	335	1
338	179	211	1
339	179	336	1
340	180	189	1
341	180	337	1
342	181	190	1
343	181	338	1
344	182	192	1
345	182	339	1
346	183	217	1
347	183	340	1
348	184	218	1
349	184	341	1
350	185	215	1
351	185	342	1
352	186	188	1
353	186	191	1
354	186	343	1
355	187	344	1
356	188	195	1
357	188	345	1
358	189	346	1
359	190	347	1
360	191	222	1
361	191	348	1
362	192	349	1
363	193	196	1
364	193	197	1
365	193	350	1
366	194	198	1
367	194	199	1
368	194	351	1
369	195	352	1
370	196	226	1
371	196	353	1
372	197	202	1
373	197	354	1
374	198	229	1
375	198	355	1
376	199	203	1
377	199	356	1
378	200	204	1
379	200	205	1
380	200	357	1
381	201	206	1
382	201	207	1
383	201	358	1
384	202	359	1
385	203	360	1
386	204	233	1
387	204	361	1
388	205	210	1
389	205	362	1
390	206	213	1
391	206	363	1
392	207	234	1
393	207	364	1
394	208	209	1
395	208	212	1
396	208	365	1
397	209	216	1
398	209	366	1
399	210	367	1
400	211	369	1
401	211	370	1
402	212	235	1
403	212	368	1
404	213	371	1
405	214	219	1
406	214	221	1
407	214	372	1
408	215	373	1
409	215	374	1
410	216	375	1
411	217	376	1
412	217	377	1
413	218	378	1
414	218	379	1
415	219	236	1
416	219	380	1
417	220	224	1
418	220	225	1
419	220	381	1
420	221	230	1
421	221	382	1
422	222	383	1
423	222	384	1
424	223	227	1
425	223	228	1
426	223	385	1
427	224	237	1
428	224	386	1
429	225	232	1
430	225	387	1
431	226	388	1
432	226	389	1
433	227	231	1
434	227	390	1
435	228	238	1
436	228	391	1
437	229	392	1
438	229	393	1
439	230	394	1
440	231	395	1
441	232	396	1
442	233	397	1
443	233	398	1
444	234	399	1
445	234	400	1
446	235	401	1
447	235	402	1
448	236	403	1
449	236	404	1
450	237	405	1
451	237	406	1
452	238	407	1
453	238	408	1
454	239	253	2
455	240	256	2
456	241	259	2
457	242	263	2
458	243	267	2
459	244	409	1
460	245	249	1
461	245	251	1
462	245	410	1
463	246	411	1
464	247	412	1
465	248	413	1
466	249	252	1
467	249	414	1
468	250	415	1
469	251	287	1
470	251	416	1
471	252	417	1
472	253	293	1
473	254	418	1
474	254	419	1
475	254	420	1
476	255	283	2
477	256	298	1
478	257	421	1
479	257	422	1
480	257	423	1
481	258	424	1
482	258	425	1
483	258	426	1
484	259	299	1
485	260	427	1
486	260	428	1
487	260	429	1
488	262	292	2
489	262	430	1
490	263	300	1
491	265	295	2
492	265	431	1
493	266	432	1
494	266	433	1
495	266	434	1
496	267	301	1
497	268	435	1
498	270	302	2
499	270	436	1
500	271	437	1
501	271	438	1
502	271	439	1
503	272	276	1
504	272	289	1
505	272	440	1
506	273	441	1
507	273	442	1
508	273	443	1
509	274	303	2
510	274	444	1
511	275	296	2
512	276	278	1
513	276	445	1
514	278	282	1
515	278	446	1
516	279	447	1
517	279	448	1
518	279	449	1
519	280	450	1
520	280	451	1
521	280	452	1
522	281	453	1
523	282	454	1
524	283	311	1
525	284	310	2
526	284	457	1
527	285	458	1
528	285	459	1
529	285	460	1
530	287	462	1
531	287	463	1
532	288	312	2
533	288	464	1
534	289	465	1
535	289	466	1
536	291	471	1
537	291	472	1
538	291	473	1
539	292	304	1
540	292	476	1
541	294	477	1
542	294	478	1
543	294	479	1
544	295	305	1
545	295	481	1
546	296	316	1
547	297	482	1
548	297	483	1
549	297	484	1
550	302	309	1
551	302	486	1
552	303	313	1
553	303	489	1
554	310	317	1
555	310	495	1
556	312	321	1
557	312	496	1
558	314	497	1
559	315	498	1
560	318	326	2
561	318	499	1
562	322	504	1
563	322	505	1
564	322	506	1
565	323	512	1
566	324	329	2
567	324	513	1
568	326	328	1
569	326	520	1
570	327	521	1
571	327	522	1
572	327	523	1
573	329	330	1
574	329	534	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
