@<TRIPOS>MOLECULE
118984459
934 950 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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681	H189   -13.5855   -13.9136    38.0162	H	1	noname	0.0382
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686	H194     3.8182   -22.1730    33.9480	H	1	noname	0.0337
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689	H197   -10.1902    -8.9980    51.2968	H	1	noname	0.0625
690	H198    13.8013   -14.6904    46.6567	H	1	noname	0.1306
691	H199     3.8303   -26.3563    32.4735	H	1	noname	0.0569
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693	H201     1.6946   -28.4233    33.1979	H	1	noname	0.0321
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714	H222     1.1631   -23.1280    31.8604	H	1	noname	0.0626
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716	H224    -7.0428   -14.9026    37.5753	H	1	noname	0.0361
717	H225    -7.9393   -14.8466    36.0654	H	1	noname	0.0361
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719	H227   -15.3493   -13.4831    34.3141	H	1	noname	0.1271
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725	H233     6.3111   -16.3541    41.0087	H	1	noname	0.0410
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729	H237     0.7508   -22.1897    29.6985	H	1	noname	0.0650
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731	H239     4.4633   -27.4376    37.5461	H	1	noname	0.0337
732	H240     4.0021   -28.7197    36.4622	H	1	noname	0.0337
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735	H243    -1.9058    -6.2463    48.6180	H	1	noname	0.0410
736	H244    -1.2299    -5.4696    50.0780	H	1	noname	0.0410
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739	H247     7.6155   -27.6548    36.9061	H	1	noname	0.1319
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745	H253   -12.0958   -10.3917    40.0924	H	1	noname	0.0382
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903	H411    -4.2311   -15.4721    54.7771	H	1	noname	0.0380
904	H412    -4.5246   -13.9826    53.8596	H	1	noname	0.0380
905	H413     9.3833    -7.8914    47.8668	H	1	noname	0.1319
906	H414     2.1398   -13.3328    47.8821	H	1	noname	0.2213
907	H415    -6.2142    -4.4272    48.5036	H	1	noname	0.2101
908	H416    10.7069    -9.3769    45.8629	H	1	noname	0.0583
909	H417    -5.6867     0.6752    39.8181	H	1	noname	0.2213
910	H418    -4.8508   -20.4874    53.5101	H	1	noname	0.0563
911	H419     7.6762    -2.3027    45.2448	H	1	noname	0.1306
912	H420    12.0633    -6.9849    47.1374	H	1	noname	0.0394
913	H421    11.5196    -7.2002    45.4293	H	1	noname	0.0394
914	H422     0.2639    -6.6879    39.5928	H	1	noname	0.2213
915	H423    -3.3561   -19.4426    55.1452	H	1	noname	0.0251
916	H424    -2.6480   -20.8440    54.3069	H	1	noname	0.0251
917	H425    -2.1546   -19.1944    53.8556	H	1	noname	0.0251
918	H426    -3.6519   -19.5861    51.1309	H	1	noname	0.1318
919	H427    -1.2377   -11.7799    55.4237	H	1	noname	0.0343
920	H428    -1.2032   -12.6652    53.8799	H	1	noname	0.0343
921	H429    -2.5808   -11.6073    54.2685	H	1	noname	0.0343
922	H430    -2.7885   -21.0878    49.5834	H	1	noname	0.0559
923	H431    12.4939   -10.8130    48.7697	H	1	noname	0.2213
924	H432    11.0759    -0.7960    45.6147	H	1	noname	0.1267
925	H433    10.9937    -2.2130    46.3179	H	1	noname	0.1267
926	H434    -4.1974   -23.7510    50.1585	H	1	noname	0.0293
927	H435    -5.0061   -22.2998    49.6053	H	1	noname	0.0293
928	H436    10.0651    -0.6250    43.8597	H	1	noname	0.1898
929	H437    14.1038    -9.7841    44.9009	H	1	noname	0.2213
930	H438    -1.3883   -22.9371    49.3115	H	1	noname	0.1191
931	H439    -1.7528   -23.4871    50.8444	H	1	noname	0.1191
932	H440    -3.6256   -22.3532    47.4972	H	1	noname	0.0373
933	H441    -3.0789   -23.9565    48.0657	H	1	noname	0.0373
934	H442    -6.3384   -23.8807    45.8839	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	239	1
3	2	259	1
4	3	5	1
5	3	358	1
6	4	6	1
7	4	365	1
8	5	387	1
9	6	397	1
10	7	445	1
11	7	475	1
12	8	478	1
13	8	487	1
14	9	192	2
15	10	193	2
16	11	199	2
17	12	201	2
18	13	209	2
19	14	212	2
20	15	222	2
21	16	225	2
22	17	226	2
23	18	231	2
24	19	237	2
25	20	244	2
26	21	246	2
27	22	257	2
28	23	265	1
29	23	614	1
30	24	264	2
31	25	265	2
32	26	269	2
33	27	271	2
34	28	274	2
35	29	279	1
36	29	632	1
37	30	277	2
38	31	279	2
39	32	280	2
40	33	284	2
41	34	286	2
42	35	291	2
43	293	36	1
44	36	659	1
45	37	298	1
46	37	664	1
47	38	297	2
48	39	298	2
49	40	301	2
50	41	308	2
51	42	312	2
52	43	314	2
53	44	321	2
54	45	324	2
55	46	325	2
56	47	331	2
57	48	335	2
58	49	337	2
59	50	348	2
60	51	349	2
61	52	350	2
62	53	354	2
63	54	359	2
64	55	366	1
65	55	763	1
66	56	367	2
67	57	370	2
68	58	372	2
69	59	374	2
70	60	375	2
71	61	380	2
72	62	386	2
73	63	392	1
74	63	802	1
75	64	392	2
76	65	396	1
77	65	807	1
78	66	395	2
79	67	396	2
80	68	402	2
81	69	407	1
82	69	838	1
83	70	408	2
84	71	410	2
85	72	411	2
86	73	417	2
87	74	418	2
88	75	425	2
89	76	428	2
90	435	77	1
91	77	885	1
92	78	437	2
93	79	440	2
94	80	446	2
95	81	451	2
96	82	454	2
97	83	465	1
98	83	906	1
99	84	467	1
100	84	907	1
101	85	461	2
102	86	465	2
103	87	469	1
104	87	909	1
105	88	469	2
106	89	472	2
107	90	474	1
108	90	914	1
109	91	474	2
110	92	480	2
111	93	483	1
112	93	923	1
113	94	483	2
114	95	486	1
115	95	929	1
116	96	486	2
117	97	488	2
118	98	492	1
119	98	934	1
120	99	492	2
121	100	188	1
122	100	191	1
123	100	192	1
124	101	193	1
125	101	195	1
126	101	501	1
127	102	194	1
128	102	201	1
129	102	507	1
130	103	199	1
131	103	204	1
132	103	510	1
133	104	198	1
134	104	208	1
135	104	515	1
136	105	202	1
137	105	212	1
138	105	523	1
139	106	203	1
140	106	221	1
141	106	524	1
142	107	205	1
143	107	208	2
144	108	209	1
145	108	217	1
146	108	526	1
147	109	211	1
148	109	216	1
149	109	225	1
150	110	218	1
151	110	220	1
152	110	536	1
153	111	219	1
154	111	231	1
155	111	540	1
156	112	222	1
157	112	230	1
158	112	545	1
159	113	221	1
160	113	551	1
161	113	552	1
162	114	226	1
163	114	238	1
164	114	554	1
165	115	221	2
166	115	557	1
167	116	229	1
168	116	237	1
169	116	558	1
170	117	234	1
171	117	246	1
172	117	566	1
173	118	244	1
174	118	252	1
175	118	575	1
176	119	245	1
177	119	260	1
178	119	577	1
179	120	250	1
180	120	264	1
181	120	582	1
182	121	257	1
183	121	258	1
184	121	588	1
185	122	260	1
186	122	602	1
187	122	603	1
188	123	266	1
189	123	277	1
190	123	604	1
191	124	267	1
192	124	280	1
193	124	605	1
194	125	271	1
195	125	276	1
196	125	607	1
197	126	260	2
198	126	606	1
199	127	269	1
200	127	612	1
201	127	613	1
202	128	274	1
203	128	278	1
204	128	615	1
205	129	281	1
206	129	291	1
207	129	627	1
208	130	284	1
209	130	290	1
210	130	628	1
211	131	285	1
212	131	301	1
213	131	634	1
214	132	286	1
215	132	300	1
216	132	635	1
217	133	292	1
218	133	308	1
219	133	645	1
220	134	297	1
221	134	305	1
222	134	651	1
223	135	312	1
224	135	317	1
225	135	669	1
226	136	309	1
227	136	321	1
228	136	670	1
229	137	310	1
230	137	324	1
231	137	671	1
232	138	314	1
233	138	319	1
234	138	673	1
235	139	313	1
236	139	678	1
237	139	679	1
238	140	322	1
239	140	335	1
240	140	687	1
241	141	318	1
242	141	346	1
243	141	690	1
244	142	325	1
245	142	336	1
246	142	692	1
247	143	327	1
248	143	349	1
249	143	700	1
250	144	331	1
251	144	344	1
252	144	703	1
253	145	332	1
254	145	354	1
255	145	708	1
256	146	337	1
257	146	719	1
258	146	720	1
259	147	348	1
260	147	360	1
261	147	727	1
262	148	346	1
263	148	733	1
264	148	734	1
265	149	359	1
266	149	364	1
267	149	738	1
268	150	356	1
269	150	370	1
270	150	739	1
271	355	151	1
272	151	375	1
273	151	740	1
274	152	346	2
275	152	741	1
276	153	350	1
277	153	742	1
278	153	743	1
279	154	368	1
280	154	374	1
281	154	749	1
282	155	372	1
283	155	378	1
284	155	753	1
285	156	367	1
286	156	757	1
287	156	758	1
288	377	157	1
289	157	395	1
290	157	768	1
291	158	380	1
292	158	779	1
293	158	780	1
294	159	386	1
295	159	399	1
296	159	781	1
297	160	393	1
298	160	411	1
299	160	789	1
300	161	402	1
301	161	406	1
302	161	793	1
303	162	401	1
304	162	418	1
305	162	796	1
306	400	163	1
307	163	425	1
308	163	799	1
309	164	398	1
310	164	433	1
311	164	800	1
312	165	408	1
313	165	423	1
314	165	811	1
315	166	416	1
316	166	417	1
317	166	815	1
318	167	410	1
319	426	167	1
320	167	818	1
321	168	415	1
322	168	428	1
323	168	822	1
324	169	412	1
325	169	437	1
326	169	824	1
327	429	170	1
328	170	461	1
329	170	853	1
330	171	434	1
331	171	451	1
332	171	852	1
333	172	440	1
334	172	450	1
335	172	857	1
336	173	436	1
337	173	454	1
338	173	858	1
339	174	446	1
340	458	174	1
341	174	864	1
342	175	433	1
343	175	870	1
344	175	871	1
345	176	433	2
346	176	884	1
347	177	448	1
348	177	886	1
349	177	887	1
350	178	459	1
351	178	477	1
352	178	892	1
353	179	455	1
354	179	894	1
355	179	895	1
356	466	180	1
357	180	480	1
358	180	896	1
359	181	472	1
360	479	181	1
361	181	905	1
362	182	473	1
363	182	477	2
364	183	476	1
365	183	485	1
366	183	911	1
367	481	184	1
368	184	488	1
369	184	918	1
370	185	485	1
371	185	924	1
372	185	925	1
373	186	485	2
374	186	928	1
375	489	187	1
376	187	930	1
377	187	931	1
378	188	189	1
379	188	193	1
380	188	493	1
381	189	190	1
382	189	494	1
383	189	495	1
384	190	191	1
385	190	496	1
386	190	497	1
387	191	498	1
388	191	499	1
389	192	194	1
390	194	196	1
391	194	500	1
392	195	197	1
393	195	199	1
394	195	502	1
395	196	198	1
396	196	503	1
397	196	504	1
398	197	200	1
399	197	505	1
400	197	506	1
401	198	205	2
402	200	203	1
403	200	508	1
404	200	509	1
405	201	202	1
406	202	207	1
407	202	511	1
408	203	512	1
409	203	513	1
410	204	206	1
411	204	209	1
412	204	514	1
413	205	516	1
414	206	210	1
415	206	517	1
416	206	518	1
417	207	519	1
418	207	520	1
419	207	521	1
420	208	522	1
421	210	214	1
422	210	218	2
423	211	213	1
424	211	222	1
425	211	525	1
426	212	219	1
427	213	215	1
428	213	527	1
429	213	528	1
430	214	220	1
431	214	224	2
432	215	216	1
433	215	529	1
434	215	530	1
435	216	531	1
436	216	532	1
437	217	223	1
438	217	226	1
439	217	533	1
440	218	534	1
441	219	227	1
442	219	535	1
443	220	228	2
444	223	233	1
445	223	537	1
446	223	538	1
447	224	232	1
448	224	539	1
449	225	234	1
450	227	541	1
451	227	542	1
452	227	543	1
453	228	235	1
454	228	544	1
455	229	231	1
456	229	236	1
457	229	546	1
458	230	237	1
459	230	239	1
460	230	547	1
461	232	235	2
462	232	548	1
463	233	241	2
464	233	242	1
465	234	549	1
466	234	550	1
467	235	553	1
468	236	240	1
469	236	555	1
470	236	556	1
471	238	243	1
472	238	244	1
473	238	559	1
474	239	560	1
475	239	561	1
476	240	245	1
477	240	562	1
478	240	563	1
479	241	247	1
480	241	564	1
481	242	248	2
482	242	565	1
483	243	249	1
484	243	567	1
485	243	568	1
486	245	569	1
487	245	570	1
488	246	250	1
489	247	251	2
490	247	571	1
491	248	251	1
492	248	572	1
493	249	254	2
494	249	255	1
495	250	253	1
496	250	573	1
497	251	574	1
498	252	256	1
499	252	257	1
500	252	576	1
501	253	265	1
502	253	578	1
503	253	579	1
504	254	261	1
505	254	580	1
506	255	262	2
507	255	581	1
508	256	269	1
509	256	583	1
510	256	584	1
511	258	263	1
512	258	271	1
513	258	585	1
514	259	267	1
515	259	586	1
516	259	587	1
517	261	268	2
518	261	589	1
519	262	268	1
520	262	590	1
521	263	270	1
522	263	272	1
523	263	591	1
524	264	266	1
525	266	273	1
526	266	592	1
527	267	274	1
528	267	593	1
529	268	594	1
530	270	275	1
531	270	595	1
532	270	596	1
533	272	597	1
534	272	598	1
535	272	599	1
536	273	279	1
537	273	600	1
538	273	601	1
539	275	608	1
540	275	609	1
541	275	610	1
542	276	282	1
543	276	284	1
544	276	611	1
545	277	281	1
546	278	283	1
547	278	286	1
548	278	616	1
549	280	285	1
550	281	288	1
551	281	617	1
552	282	287	1
553	282	618	1
554	282	619	1
555	283	289	1
556	283	620	1
557	283	621	1
558	285	622	1
559	285	623	1
560	287	294	2
561	287	295	1
562	288	624	1
563	288	625	1
564	288	626	1
565	289	298	1
566	289	629	1
567	289	630	1
568	290	293	1
569	290	297	1
570	290	631	1
571	291	292	1
572	292	296	1
573	292	633	1
574	293	304	1
575	293	636	1
576	294	302	1
577	294	637	1
578	295	303	2
579	295	638	1
580	296	299	1
581	296	639	1
582	296	640	1
583	299	306	1
584	299	641	1
585	299	642	1
586	300	312	1
587	300	643	1
588	300	644	1
589	301	309	1
590	302	307	2
591	302	646	1
592	303	307	1
593	303	647	1
594	304	648	1
595	304	649	1
596	304	650	1
597	305	311	1
598	305	314	1
599	305	652	1
600	306	313	1
601	306	653	1
602	306	654	1
603	307	655	1
604	308	310	1
605	309	656	1
606	309	657	1
607	310	315	1
608	310	658	1
609	311	316	1
610	311	660	1
611	311	661	1
612	313	662	1
613	313	663	1
614	315	320	1
615	315	665	1
616	315	666	1
617	316	318	1
618	316	667	1
619	316	668	1
620	317	323	1
621	317	325	1
622	317	672	1
623	318	674	1
624	318	675	1
625	319	326	1
626	319	331	1
627	319	676	1
628	320	329	2
629	320	330	1
630	321	322	1
631	322	328	1
632	322	677	1
633	323	337	1
634	323	680	1
635	323	681	1
636	324	327	1
637	326	334	1
638	326	682	1
639	326	683	1
640	327	339	1
641	327	684	1
642	328	338	1
643	328	685	1
644	328	686	1
645	329	340	1
646	329	688	1
647	330	341	2
648	330	689	1
649	332	333	1
650	332	335	1
651	332	691	1
652	333	342	1
653	333	347	1
654	333	693	1
655	334	350	1
656	334	694	1
657	334	695	1
658	336	343	1
659	336	348	1
660	336	696	1
661	338	351	2
662	338	352	1
663	339	697	1
664	339	698	1
665	339	699	1
666	340	345	2
667	340	701	1
668	341	345	1
669	341	702	1
670	342	357	1
671	342	704	1
672	342	705	1
673	343	353	1
674	343	706	1
675	343	707	1
676	344	358	1
677	344	359	1
678	344	709	1
679	345	710	1
680	347	711	1
681	347	712	1
682	347	713	1
683	349	355	1
684	351	361	1
685	351	714	1
686	352	362	2
687	352	715	1
688	353	367	1
689	353	716	1
690	353	717	1
691	354	356	1
692	355	365	1
693	355	718	1
694	356	363	1
695	356	721	1
696	357	722	1
697	357	723	1
698	357	724	1
699	358	725	1
700	358	726	1
701	360	369	1
702	360	372	1
703	360	728	1
704	361	366	2
705	361	729	1
706	362	366	1
707	362	730	1
708	363	373	1
709	363	731	1
710	363	732	1
711	364	371	1
712	364	374	1
713	364	737	1
714	365	735	1
715	365	736	1
716	368	370	1
717	368	376	1
718	368	744	1
719	369	380	1
720	369	745	1
721	369	746	1
722	371	379	1
723	371	747	1
724	371	748	1
725	373	383	2
726	373	384	1
727	375	377	1
728	376	381	1
729	376	750	1
730	376	751	1
731	377	382	1
732	377	752	1
733	378	385	1
734	378	386	1
735	378	754	1
736	379	392	1
737	379	755	1
738	379	756	1
739	381	396	1
740	381	759	1
741	381	760	1
742	382	391	1
743	382	761	1
744	382	762	1
745	383	389	1
746	383	764	1
747	384	390	2
748	384	765	1
749	385	388	1
750	385	766	1
751	385	767	1
752	387	393	1
753	387	769	1
754	387	770	1
755	388	398	1
756	388	771	1
757	388	772	1
758	389	394	2
759	389	773	1
760	390	394	1
761	390	774	1
762	391	403	2
763	391	404	1
764	393	402	1
765	393	775	1
766	394	776	1
767	395	400	1
768	397	401	1
769	397	777	1
770	397	778	1
771	398	782	1
772	398	783	1
773	399	405	1
774	399	408	1
775	399	784	1
776	400	407	1
777	400	785	1
778	401	410	1
779	401	786	1
780	403	413	1
781	403	787	1
782	404	414	2
783	404	788	1
784	405	420	1
785	405	791	1
786	405	792	1
787	406	409	1
788	406	417	1
789	406	790	1
790	407	794	1
791	407	795	1
792	409	419	1
793	409	797	1
794	409	798	1
795	411	412	1
796	412	424	1
797	412	801	1
798	413	421	2
799	413	803	1
800	414	421	1
801	414	804	1
802	415	418	1
803	415	427	1
804	415	806	1
805	416	422	1
806	416	428	1
807	416	805	1
808	419	430	1
809	419	808	1
810	419	809	1
811	420	441	2
812	420	442	1
813	421	810	1
814	422	431	1
815	422	812	1
816	422	813	1
817	423	432	1
818	423	440	1
819	423	814	1
820	424	438	1
821	424	816	1
822	424	817	1
823	425	429	1
824	426	435	1
825	426	446	1
826	426	819	1
827	427	445	1
828	427	820	1
829	427	821	1
830	429	439	1
831	429	823	1
832	430	448	1
833	430	825	1
834	430	826	1
835	431	443	1
836	431	827	1
837	431	828	1
838	432	452	1
839	432	829	1
840	432	830	1
841	434	437	1
842	434	447	1
843	434	831	1
844	435	453	1
845	435	832	1
846	436	444	1
847	436	451	1
848	436	833	1
849	438	465	1
850	438	834	1
851	438	835	1
852	439	459	1
853	439	836	1
854	439	837	1
855	441	456	1
856	441	839	1
857	442	457	2
858	442	840	1
859	443	455	1
860	443	841	1
861	443	842	1
862	444	449	1
863	444	843	1
864	444	844	1
865	445	845	1
866	445	846	1
867	447	460	1
868	447	847	1
869	447	848	1
870	448	850	1
871	448	851	1
872	449	463	1
873	449	464	1
874	449	849	1
875	450	454	1
876	450	467	1
877	450	854	1
878	452	469	1
879	452	855	1
880	452	856	1
881	453	859	1
882	453	860	1
883	453	861	1
884	455	862	1
885	455	863	1
886	456	462	2
887	456	866	1
888	457	462	1
889	457	867	1
890	458	468	1
891	458	472	1
892	458	865	1
893	459	473	2
894	460	474	1
895	460	868	1
896	460	869	1
897	461	466	1
898	462	872	1
899	463	876	1
900	463	877	1
901	463	878	1
902	464	873	1
903	464	874	1
904	464	875	1
905	466	471	1
906	466	879	1
907	467	880	1
908	467	881	1
909	468	470	1
910	468	882	1
911	468	883	1
912	470	476	1
913	470	888	1
914	470	889	1
915	471	478	1
916	471	890	1
917	471	891	1
918	473	893	1
919	475	897	1
920	475	898	1
921	475	899	1
922	476	900	1
923	476	901	1
924	477	902	1
925	478	903	1
926	478	904	1
927	479	482	1
928	479	483	1
929	479	908	1
930	480	481	1
931	481	484	1
932	481	910	1
933	482	486	1
934	482	912	1
935	482	913	1
936	484	915	1
937	484	916	1
938	484	917	1
939	487	919	1
940	487	920	1
941	487	921	1
942	488	489	1
943	489	490	1
944	489	922	1
945	490	491	1
946	490	926	1
947	490	927	1
948	491	492	1
949	491	932	1
950	491	933	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
