@<TRIPOS>MOLECULE
118984467
781 826 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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664	H207    -0.1790   -25.0970     3.3508	H	1	noname	0.0338
665	H208     0.1134   -23.4135     2.8587	H	1	noname	0.0338
666	H209     1.8358   -30.6464     4.4558	H	1	noname	0.0642
667	H210     4.1169   -18.3563     2.4608	H	1	noname	0.0642
668	H211     2.5477   -23.6966     2.9935	H	1	noname	0.0824
669	H212     6.0779   -32.4209     0.0028	H	1	noname	0.0642
670	H213    16.2956   -14.5533   -19.7262	H	1	noname	0.0529
671	H214    16.0649   -16.2978   -19.8663	H	1	noname	0.0529
672	H215    16.3834   -15.5559   -18.2758	H	1	noname	0.0529
673	H216    10.7585   -26.6374    -3.2928	H	1	noname	0.0604
674	H217    11.8287   -25.7335    -2.2029	H	1	noname	0.0604
675	H218    -2.0010   -13.0235    -8.1191	H	1	noname	0.0529
676	H219    -3.1562   -12.2167    -7.0529	H	1	noname	0.0529
677	H220    -1.5864   -12.7705    -6.4191	H	1	noname	0.0529
678	H221     2.6584   -17.8227     4.6651	H	1	noname	0.0656
679	H222     2.5981   -28.0564     3.9227	H	1	noname	0.0656
680	H223     4.6964   -30.2373    -1.6630	H	1	noname	0.0656
681	H224    11.3010   -26.5631   -22.6407	H	1	noname	0.0529
682	H225    11.6744   -26.6124   -20.9162	H	1	noname	0.0529
683	H226    11.5077   -25.0489   -21.7574	H	1	noname	0.0529
684	H227    -0.8272   -30.4230     3.9091	H	1	noname	0.0335
685	H228     0.3181   -30.9358     2.6748	H	1	noname	0.0335
686	H229     5.2420   -20.2213     3.2018	H	1	noname	0.0335
687	H230     6.5069   -19.1305     3.7163	H	1	noname	0.0335
688	H231     4.1506   -33.7949    -0.5288	H	1	noname	0.0335
689	H232     3.2917   -32.4563    -1.2714	H	1	noname	0.0335
690	H233    -0.9439   -28.1937     3.0645	H	1	noname	0.0788
691	H234     5.9856   -19.1161     5.9380	H	1	noname	0.0788
692	H235     4.2376   -33.0214    -3.2783	H	1	noname	0.0788
693	H236     5.9945   -31.7427    -9.4555	H	1	noname	0.0529
694	H237     4.6181   -30.6566    -9.6361	H	1	noname	0.0529
695	H238     5.7476   -30.8889   -10.9924	H	1	noname	0.0529
696	H239     5.9304   -13.9651     1.2146	H	1	noname	0.0604
697	H240     7.4132   -14.9227     1.0788	H	1	noname	0.0604
698	H241    13.1807   -19.4046    -4.6092	H	1	noname	0.2259
699	H242    -0.4150    -9.9817   -11.6569	H	1	noname	0.0529
700	H243    -1.0053   -10.2021   -10.0080	H	1	noname	0.0529
701	H244     0.6551   -10.6854   -10.4425	H	1	noname	0.0529
702	H245     9.4842   -26.0147   -10.2241	H	1	noname	0.1016
703	H246     0.3867   -26.6174     5.3546	H	1	noname	0.0604
704	H247     0.7777   -25.9328     6.9480	H	1	noname	0.0604
705	H248    21.1638   -22.4572   -11.2690	H	1	noname	0.0529
706	H249    19.7798   -23.5520   -11.3194	H	1	noname	0.0529
707	H250    20.1778   -22.5374   -12.7311	H	1	noname	0.0529
708	H251     6.5913   -29.3235    -0.5096	H	1	noname	0.0604
709	H252     7.6167   -30.7424    -0.8650	H	1	noname	0.0604
710	H253     6.1431    -8.4252     3.7805	H	1	noname	0.0281
711	H254     7.0832    -9.8959     3.7939	H	1	noname	0.0281
712	H255     7.5360    -8.5714     4.8652	H	1	noname	0.0281
713	H256     1.8438   -19.6352     3.1871	H	1	noname	0.0604
714	H257     2.9605   -20.7652     4.0123	H	1	noname	0.0604
715	H258     2.4199   -29.9565     1.5810	H	1	noname	0.0604
716	H259     3.5041   -28.5771     1.8245	H	1	noname	0.0604
717	H260    -0.3853   -22.5495    -6.0354	H	1	noname	0.0281
718	H261     0.2468   -22.3028    -4.4147	H	1	noname	0.0281
719	H262    -0.0773   -20.9078    -5.3508	H	1	noname	0.0281
720	H263     7.6504   -23.3909    -3.8312	H	1	noname	0.0762
721	H264     4.4324   -19.0657    -0.2982	H	1	noname	0.2259
722	H265     5.1013   -17.0690   -16.5251	H	1	noname	0.1268
723	H266     4.8207   -15.7119   -17.2924	H	1	noname	0.1268
724	H267    11.7766   -14.7404   -12.9128	H	1	noname	0.1062
725	H268     6.0466   -15.6272    -5.7349	H	1	noname	0.0529
726	H269     4.5659   -15.9415    -4.7985	H	1	noname	0.0529
727	H270     5.5188   -17.3013    -5.4397	H	1	noname	0.0529
728	H271    11.0287    -9.3437     3.4268	H	1	noname	0.1258
729	H272     9.6911   -10.1578     3.6656	H	1	noname	0.1258
730	H273    -3.8897   -23.3392    -6.2682	H	1	noname	0.1258
731	H274    -2.4767   -23.9564    -5.9059	H	1	noname	0.1258
732	H275    14.8209   -26.5989     0.2470	H	1	noname	0.0762
733	H276     7.8321   -24.3888     0.7806	H	1	noname	0.1418
734	H277    13.9207   -24.2767    -3.6848	H	1	noname	0.2259
735	H278     8.2141   -11.3423    -1.8072	H	1	noname	0.0762
736	H279     7.7764   -14.9397   -14.3462	H	1	noname	0.1258
737	H280     7.1270   -16.1388   -13.5402	H	1	noname	0.1258
738	H281     0.2056   -24.8479     0.7114	H	1	noname	0.1016
739	H282     1.0303   -28.4831     0.2094	H	1	noname	0.0762
740	H283     4.6305   -20.2751     7.7859	H	1	noname	0.0761
741	H284     6.6462   -33.1472    -4.4948	H	1	noname	0.0761
742	H285     7.5442   -18.0460    -3.8703	H	1	noname	0.2259
743	H286     9.5674     1.0648     2.2482	H	1	noname	0.0529
744	H287     7.9401     0.8375     1.5638	H	1	noname	0.0529
745	H288     9.3153     1.1919     0.4908	H	1	noname	0.0529
746	H289     8.0623   -20.2989   -12.4511	H	1	noname	0.1400
747	H290    11.0390   -23.7630    -2.2250	H	1	noname	0.0282
748	H291    10.2623   -24.1634    -3.7756	H	1	noname	0.0282
749	H292    10.2613   -22.4835    -3.1874	H	1	noname	0.0282
750	H293    12.1612   -25.2614     3.8969	H	1	noname	0.1418
751	H294    12.0783   -14.0180    -1.7912	H	1	noname	0.1418
752	H295     6.9131   -26.8252    -2.1694	H	1	noname	0.2259
753	H296     6.2474   -14.8233     4.6378	H	1	noname	0.2259
754	H297     0.3348   -21.2247     2.9899	H	1	noname	0.2259
755	H298     0.4457   -29.4335     8.1841	H	1	noname	0.2259
756	H299    -3.3580   -30.1239    -0.3491	H	1	noname	0.1418
757	H300     6.4535   -29.3537     2.6243	H	1	noname	0.2259
758	H301    16.8077   -25.3458     1.6570	H	1	noname	0.0282
759	H302    16.1854   -23.8401     2.3740	H	1	noname	0.0282
760	H303    15.9949   -24.1405     0.6299	H	1	noname	0.0282
761	H304    10.7768    -9.6186    -0.3475	H	1	noname	0.0282
762	H305     9.4308    -9.3910    -1.4898	H	1	noname	0.0282
763	H306    11.1056    -9.4550    -2.0892	H	1	noname	0.0282
764	H307     7.9982   -19.5052    -9.0848	H	1	noname	0.1268
765	H308     7.1015   -19.2462   -10.3646	H	1	noname	0.1268
766	H309     5.8236   -27.4752    -0.6426	H	1	noname	0.1400
767	H310     1.3564   -29.3589    -2.3449	H	1	noname	0.0282
768	H311    -0.0872   -28.9751    -3.3128	H	1	noname	0.0282
769	H312     0.7325   -27.6925    -2.3903	H	1	noname	0.0282
770	H313     3.4166   -23.0532     9.4012	H	1	noname	0.0281
771	H314     5.1236   -22.9327     9.8912	H	1	noname	0.0281
772	H315     4.1464   -21.4574     9.6995	H	1	noname	0.0281
773	H316     7.8414   -34.6867    -6.4126	H	1	noname	0.0281
774	H317     9.0980   -35.7089    -5.6748	H	1	noname	0.0281
775	H318     9.1078   -33.9501    -5.4017	H	1	noname	0.0281
776	H319     5.2587   -25.4013     6.8823	H	1	noname	0.1258
777	H320     4.1203   -25.0072     7.9109	H	1	noname	0.1258
778	H321     8.3186   -37.9274    -3.1286	H	1	noname	0.1258
779	H322     8.2754   -37.6051    -4.6789	H	1	noname	0.1258
780	H323     6.5193   -26.4087     2.5550	H	1	noname	0.1268
781	H324     6.7021   -27.7309     1.7020	H	1	noname	0.1268
@<TRIPOS>BOND
1	1	21	1
2	1	559	1
3	2	20	2
4	3	22	2
5	4	23	2
6	5	24	2
7	6	25	2
8	7	27	2
9	8	26	2
10	9	28	2
11	10	29	2
12	11	30	2
13	12	31	2
14	13	32	2
15	14	33	2
16	15	34	2
17	16	35	2
18	17	36	2
19	18	37	2
20	19	38	2
21	20	45	1
22	20	53	1
23	20	74	1
24	21	44	1
25	21	63	1
26	21	82	2
27	22	50	1
28	22	59	1
29	22	77	1
30	23	51	1
31	23	60	1
32	23	80	1
33	24	52	1
34	24	69	1
35	24	84	1
36	25	58	1
37	25	65	1
38	25	85	1
39	26	61	1
40	26	81	1
41	26	89	1
42	27	71	1
43	27	72	1
44	27	88	1
45	28	66	1
46	28	83	1
47	28	95	1
48	29	70	1
49	29	75	1
50	29	96	1
51	30	86	1
52	30	111	1
53	30	119	1
54	31	99	1
55	31	109	1
56	31	128	1
57	32	113	1
58	32	123	1
59	32	142	1
60	33	120	1
61	33	122	1
62	33	143	1
63	34	124	1
64	34	138	1
65	34	144	1
66	35	132	1
67	35	137	1
68	35	146	1
69	36	129	1
70	36	140	1
71	36	147	1
72	37	134	1
73	37	139	1
74	37	148	1
75	38	135	1
76	38	141	1
77	38	149	1
78	39	230	1
79	39	232	1
80	40	234	1
81	40	235	1
82	41	241	1
83	41	246	1
84	42	244	1
85	42	245	1
86	43	243	1
87	43	247	1
88	228	44	1
89	231	45	1
90	229	46	1
91	46	273	1
92	47	254	1
93	47	256	1
94	48	252	1
95	48	257	1
96	233	49	1
97	49	275	1
98	237	50	1
99	238	51	1
100	236	52	1
101	53	250	1
102	54	260	1
103	54	262	1
104	239	55	1
105	55	279	1
106	240	56	1
107	56	280	1
108	242	57	1
109	57	285	1
110	248	58	1
111	59	255	1
112	60	261	1
113	249	61	1
114	251	62	1
115	62	297	1
116	63	265	1
117	253	64	1
118	64	299	1
119	65	263	1
120	258	66	1
121	67	270	1
122	67	271	1
123	259	68	1
124	68	311	1
125	69	269	1
126	70	264	1
127	266	71	1
128	72	267	1
129	268	73	1
130	73	328	1
131	74	555	1
132	284	75	1
133	76	288	1
134	76	298	1
135	77	565	1
136	78	291	1
137	78	300	1
138	79	293	1
139	79	306	1
140	80	568	1
141	81	309	1
142	83	315	1
143	84	571	1
144	85	575	1
145	296	86	1
146	292	87	1
147	87	358	1
148	88	595	1
149	89	596	1
150	289	90	1
151	90	597	1
152	91	290	1
153	91	598	1
154	92	278	2
155	93	305	1
156	93	371	1
157	94	286	2
158	95	604	1
159	96	609	1
160	97	312	1
161	97	379	1
162	98	294	2
163	99	323	1
164	100	318	1
165	100	389	1
166	101	319	1
167	101	390	1
168	102	320	1
169	102	395	1
170	103	342	1
171	103	349	1
172	104	308	2
173	105	310	2
174	106	350	1
175	106	354	1
176	107	317	2
177	108	330	1
178	108	405	1
179	346	109	1
180	110	331	1
181	110	407	1
182	111	356	1
183	112	335	1
184	112	411	1
185	343	113	1
186	114	326	2
187	115	334	2
188	116	368	1
189	116	376	1
190	117	352	1
191	117	421	1
192	118	374	1
193	118	381	1
194	119	698	1
195	120	366	1
196	121	382	1
197	121	387	1
198	370	122	1
199	123	391	1
200	367	124	1
201	125	393	1
202	125	400	1
203	126	392	1
204	126	402	1
205	127	394	1
206	127	404	1
207	128	721	1
208	380	129	1
209	130	363	2
210	131	364	2
211	385	132	1
212	133	365	2
213	386	134	1
214	388	135	1
215	136	383	1
216	136	439	1
217	137	406	1
218	138	412	1
219	139	410	1
220	140	414	1
221	141	416	1
222	142	734	1
223	143	742	1
224	144	752	1
225	145	418	2
226	146	753	1
227	147	754	1
228	148	755	1
229	149	757	1
230	150	425	2
231	151	427	2
232	152	428	2
233	153	429	2
234	154	432	2
235	155	438	2
236	156	440	2
237	157	443	2
238	158	447	2
239	159	448	2
240	160	449	2
241	232	161	1
242	161	272	1
243	161	274	1
244	235	162	1
245	162	277	1
246	162	278	1
247	245	163	1
248	163	276	1
249	163	282	1
250	246	164	1
251	164	283	1
252	164	286	1
253	247	165	1
254	165	287	1
255	165	294	1
256	256	166	1
257	166	302	1
258	166	308	1
259	257	167	1
260	167	304	1
261	167	310	1
262	262	168	1
263	168	313	1
264	168	317	1
265	271	169	1
266	169	322	1
267	169	329	1
268	170	274	2
269	170	281	1
270	171	272	2
271	171	339	1
272	172	282	2
273	172	301	1
274	173	286	1
275	173	326	1
276	173	564	1
277	174	278	1
278	174	324	2
279	175	276	1
280	175	344	2
281	176	294	1
282	176	332	2
283	298	177	1
284	177	359	1
285	177	363	1
286	300	178	1
287	178	361	1
288	178	364	1
289	306	179	1
290	179	357	1
291	179	362	1
292	180	308	1
293	180	338	2
294	181	310	1
295	181	340	2
296	182	317	1
297	182	347	2
298	183	321	1
299	183	339	2
300	184	334	1
301	184	344	1
302	184	602	1
303	185	329	2
304	185	337	1
305	186	322	1
306	186	372	2
307	187	321	1
308	187	622	1
309	187	623	1
310	188	324	1
311	188	627	1
312	188	628	1
313	189	332	1
314	189	631	1
315	189	632	1
316	349	190	1
317	190	403	1
318	190	408	1
319	191	338	1
320	191	643	1
321	191	644	1
322	192	340	1
323	192	646	1
324	192	647	1
325	354	193	1
326	193	417	1
327	193	418	1
328	194	365	1
329	194	372	1
330	194	651	1
331	195	344	1
332	195	652	1
333	195	653	1
334	196	347	1
335	196	662	1
336	196	663	1
337	197	362	2
338	197	369	1
339	198	363	1
340	198	399	2
341	199	364	1
342	199	401	2
343	200	357	2
344	200	420	1
345	376	201	1
346	201	423	1
347	201	425	1
348	381	202	1
349	202	426	1
350	202	427	1
351	387	203	1
352	203	424	1
353	203	430	1
354	204	372	1
355	204	722	1
356	204	723	1
357	400	205	1
358	205	431	1
359	205	432	1
360	402	206	1
361	206	433	1
362	206	438	1
363	404	207	1
364	207	434	1
365	207	440	1
366	208	408	2
367	208	419	1
368	209	409	1
369	209	420	2
370	210	399	1
371	210	728	1
372	210	729	1
373	211	401	1
374	211	730	1
375	211	731	1
376	212	403	1
377	212	435	2
378	213	418	1
379	213	429	1
380	213	733	1
381	214	409	1
382	214	736	1
383	214	737	1
384	215	428	1
385	215	435	1
386	215	746	1
387	216	425	1
388	216	443	1
389	216	750	1
390	217	427	1
391	217	447	1
392	217	751	1
393	218	430	2
394	218	436	1
395	219	432	1
396	219	449	1
397	219	756	1
398	220	424	1
399	220	454	2
400	221	438	1
401	221	451	2
402	222	440	1
403	222	452	2
404	223	435	1
405	223	764	1
406	223	765	1
407	224	448	1
408	224	454	1
409	224	766	1
410	225	451	1
411	225	776	1
412	225	777	1
413	226	452	1
414	226	778	1
415	226	779	1
416	227	454	1
417	227	780	1
418	227	781	1
419	228	229	1
420	228	230	1
421	228	458	1
422	229	232	1
423	229	459	1
424	230	250	1
425	230	460	1
426	231	233	1
427	231	234	1
428	231	461	1
429	232	462	1
430	233	235	1
431	233	463	1
432	234	255	1
433	234	464	1
434	235	465	1
435	236	239	1
436	236	241	1
437	236	466	1
438	237	240	1
439	237	244	1
440	237	467	1
441	238	242	1
442	238	243	1
443	238	468	1
444	239	246	1
445	239	469	1
446	240	245	1
447	240	470	1
448	241	261	1
449	241	471	1
450	242	247	1
451	242	472	1
452	243	263	1
453	243	473	1
454	244	264	1
455	244	474	1
456	245	475	1
457	246	476	1
458	247	477	1
459	248	251	1
460	248	254	1
461	248	478	1
462	249	252	1
463	249	253	1
464	249	479	1
465	250	480	1
466	250	481	1
467	251	256	1
468	251	482	1
469	252	265	1
470	252	483	1
471	253	257	1
472	253	484	1
473	254	267	1
474	254	485	1
475	255	486	1
476	255	487	1
477	256	488	1
478	257	489	1
479	258	259	1
480	258	260	1
481	258	490	1
482	259	262	1
483	259	491	1
484	260	269	1
485	260	492	1
486	261	493	1
487	261	494	1
488	262	495	1
489	263	496	1
490	263	497	1
491	264	498	1
492	264	499	1
493	265	500	1
494	265	501	1
495	266	268	1
496	266	270	1
497	266	502	1
498	267	503	1
499	267	504	1
500	268	271	1
501	268	505	1
502	269	506	1
503	269	507	1
504	270	290	1
505	270	508	1
506	271	509	1
507	272	281	1
508	273	305	1
509	273	510	1
510	273	511	1
511	274	512	1
512	275	312	1
513	275	513	1
514	275	514	1
515	276	301	2
516	277	307	2
517	277	515	1
518	279	318	1
519	279	516	1
520	279	517	1
521	280	319	1
522	280	518	1
523	280	519	1
524	281	321	2
525	282	520	1
526	283	314	2
527	283	521	1
528	284	291	1
529	284	295	1
530	284	522	1
531	285	320	1
532	285	523	1
533	285	524	1
534	287	316	2
535	287	525	1
536	288	289	1
537	288	309	1
538	288	526	1
539	289	292	1
540	289	527	1
541	290	528	1
542	290	529	1
543	291	323	1
544	291	530	1
545	292	298	1
546	292	531	1
547	293	296	1
548	293	315	1
549	293	532	1
550	295	300	1
551	295	533	1
552	295	534	1
553	296	303	1
554	296	535	1
555	297	330	1
556	297	536	1
557	297	537	1
558	298	538	1
559	299	331	1
560	299	539	1
561	299	540	1
562	300	541	1
563	301	334	1
564	302	325	2
565	302	542	1
566	303	306	1
567	303	543	1
568	303	544	1
569	304	327	2
570	304	545	1
571	305	546	1
572	305	547	1
573	306	548	1
574	307	324	1
575	307	336	1
576	309	549	1
577	309	550	1
578	311	335	1
579	311	551	1
580	311	552	1
581	312	553	1
582	312	554	1
583	313	333	2
584	313	556	1
585	314	326	1
586	314	341	1
587	315	557	1
588	315	558	1
589	316	332	1
590	316	345	1
591	318	560	1
592	318	561	1
593	319	562	1
594	319	563	1
595	320	566	1
596	320	567	1
597	322	337	2
598	323	569	1
599	323	570	1
600	325	338	1
601	325	353	1
602	327	340	1
603	327	355	1
604	328	352	1
605	328	572	1
606	328	573	1
607	329	574	1
608	330	576	1
609	330	577	1
610	331	578	1
611	331	579	1
612	333	347	1
613	333	360	1
614	335	580	1
615	335	581	1
616	336	582	1
617	336	583	1
618	336	584	1
619	337	365	1
620	339	585	1
621	341	587	1
622	341	588	1
623	341	589	1
624	342	343	1
625	342	356	1
626	342	586	1
627	343	348	1
628	343	590	1
629	345	591	1
630	345	592	1
631	345	593	1
632	346	350	1
633	346	351	1
634	346	594	1
635	348	349	1
636	348	599	1
637	348	600	1
638	349	601	1
639	350	366	1
640	350	603	1
641	351	354	1
642	351	605	1
643	351	606	1
644	352	607	1
645	352	608	1
646	353	610	1
647	353	611	1
648	353	612	1
649	354	613	1
650	355	614	1
651	355	615	1
652	355	616	1
653	356	617	1
654	356	618	1
655	357	369	1
656	358	383	1
657	358	619	1
658	358	620	1
659	359	375	2
660	359	621	1
661	360	624	1
662	360	625	1
663	360	626	1
664	361	377	2
665	361	629	1
666	362	630	1
667	366	633	1
668	366	634	1
669	367	368	1
670	367	373	1
671	367	635	1
672	368	391	1
673	368	636	1
674	369	409	2
675	370	374	1
676	370	378	1
677	370	637	1
678	371	638	1
679	371	639	1
680	371	640	1
681	373	376	1
682	373	641	1
683	373	642	1
684	374	406	1
685	374	645	1
686	375	399	1
687	375	413	1
688	376	648	1
689	377	401	1
690	377	415	1
691	378	381	1
692	378	649	1
693	378	650	1
694	379	654	1
695	379	655	1
696	379	656	1
697	380	382	1
698	380	384	1
699	380	657	1
700	381	659	1
701	382	410	1
702	382	658	1
703	383	660	1
704	383	661	1
705	384	387	1
706	384	664	1
707	384	665	1
708	385	392	1
709	385	397	1
710	385	667	1
711	386	393	1
712	386	396	1
713	386	666	1
714	387	668	1
715	388	394	1
716	388	398	1
717	388	669	1
718	389	670	1
719	389	671	1
720	389	672	1
721	390	675	1
722	390	676	1
723	390	677	1
724	391	673	1
725	391	674	1
726	392	414	1
727	392	678	1
728	393	416	1
729	393	679	1
730	394	412	1
731	394	680	1
732	395	681	1
733	395	682	1
734	395	683	1
735	396	400	1
736	396	684	1
737	396	685	1
738	397	402	1
739	397	686	1
740	397	687	1
741	398	404	1
742	398	688	1
743	398	689	1
744	400	690	1
745	402	691	1
746	403	419	2
747	404	692	1
748	405	693	1
749	405	694	1
750	405	695	1
751	406	696	1
752	406	697	1
753	407	699	1
754	407	700	1
755	407	701	1
756	408	702	1
757	410	703	1
758	410	704	1
759	411	705	1
760	411	706	1
761	411	707	1
762	412	708	1
763	412	709	1
764	413	710	1
765	413	711	1
766	413	712	1
767	414	713	1
768	414	714	1
769	415	717	1
770	415	718	1
771	415	719	1
772	416	715	1
773	416	716	1
774	417	422	2
775	417	720	1
776	419	428	1
777	420	724	1
778	421	725	1
779	421	726	1
780	421	727	1
781	422	429	1
782	422	441	1
783	423	437	2
784	423	732	1
785	424	436	2
786	426	442	2
787	426	735	1
788	430	738	1
789	431	444	2
790	431	739	1
791	433	445	2
792	433	740	1
793	434	446	2
794	434	741	1
795	436	448	1
796	437	443	1
797	437	450	1
798	439	743	1
799	439	744	1
800	439	745	1
801	441	747	1
802	441	748	1
803	441	749	1
804	442	447	1
805	442	453	1
806	444	449	1
807	444	455	1
808	445	451	1
809	445	456	1
810	446	452	1
811	446	457	1
812	450	758	1
813	450	759	1
814	450	760	1
815	453	761	1
816	453	762	1
817	453	763	1
818	455	767	1
819	455	768	1
820	455	769	1
821	456	770	1
822	456	771	1
823	456	772	1
824	457	773	1
825	457	774	1
826	457	775	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
