@<TRIPOS>MOLECULE
118984416
757 767 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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221	C77    17.1256    20.4099   -35.2479	C.3	1	noname	-0.0265
222	C78    -6.3251    33.6376   -47.4001	C.3	1	noname	0.0901
223	C79    13.0101    24.4919   -33.8752	C.2	1	noname	0.0495
224	C80    12.8865    27.5299   -39.1881	C.3	1	noname	0.0901
225	C81    10.4333    30.2782   -40.0282	C.3	1	noname	0.0880
226	C82    -6.1338    32.5072   -46.3393	C.3	1	noname	-0.0227
227	C83    17.8789    19.5540   -36.3119	C.3	1	noname	-0.0451
228	C84     9.6412    31.4003   -39.2538	C.3	1	noname	-0.0265
229	C85    12.4480    26.6446   -37.9591	C.3	1	noname	-0.0227
230	C86     8.1429    24.9191   -30.8169	C.3	1	noname	-0.0627
231	C87    10.6455    25.1107   -30.8915	C.3	1	noname	-0.0627
232	C88    15.2052    24.7225   -32.6608	C.3	1	noname	-0.0035
233	C89     8.4148    30.9494   -38.4063	C.3	1	noname	-0.0451
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235	C91    15.1530    21.8422   -34.7006	C.2	1	noname	0.0494
236	C92    -6.7703    36.0998   -47.0670	C.2	1	noname	0.0495
237	C93    11.2511    29.4258   -39.1721	C.2	1	noname	0.0494
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241	C97    -6.9923    33.3187   -48.7049	C.2	1	noname	0.0494
242	C98    -8.6232    31.4035   -48.3662	C.3	1	noname	0.0883
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263	C119     9.7388    20.1330   -47.4771	C.3	1	noname	-0.0265
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281	C137    11.7436    20.6907   -45.9800	C.2	1	noname	0.0493
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464	H75     3.1748    23.1677   -40.4308	H	1	noname	0.1318
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491	H102     5.8601    26.4364   -36.2237	H	1	noname	0.0234
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496	H107    16.6898    19.7107   -34.5260	H	1	noname	0.0290
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521	H132    -4.0348    38.2077   -49.6591	H	1	noname	0.0234
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524	H135    14.8945    25.2271   -41.9501	H	1	noname	0.0566
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526	H137     9.3438    28.6661   -40.7620	H	1	noname	0.1318
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529	H140    -5.3870    30.4348   -46.2440	H	1	noname	0.0234
530	H141    -5.9191    30.9175   -47.8638	H	1	noname	0.0234
531	H142    -4.4894    31.4701   -47.3209	H	1	noname	0.0234
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536	H147    19.4449    18.0304   -36.3399	H	1	noname	0.0233
537	H148    19.1585    19.8315   -38.0715	H	1	noname	0.0233
538	H149    18.4133    17.9788   -34.8981	H	1	noname	0.0233
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542	H153    13.2458    25.0295   -36.7919	H	1	noname	0.0234
543	H154    11.8898    26.8393   -36.0093	H	1	noname	0.0234
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658	H269     2.6143    34.6570   -52.9591	H	1	noname	0.0318
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682	H293     1.5227    35.5610   -50.9340	H	1	noname	0.0234
683	H294     1.1881    33.9025   -50.3810	H	1	noname	0.0234
684	H295     0.4320    34.5131   -51.8723	H	1	noname	0.0234
685	H296     3.8716    35.2770   -50.9299	H	1	noname	0.0234
686	H297     3.8295    33.5781   -50.4006	H	1	noname	0.0234
687	H298     4.6916    34.0243   -51.8926	H	1	noname	0.0234
688	H299    -2.5754    33.6447   -50.8756	H	1	noname	0.0410
689	H300    -1.8402    32.1001   -50.4624	H	1	noname	0.0410
690	H301     1.5319    31.8579   -47.5207	H	1	noname	0.1319
691	H302     7.0405    33.9735   -48.8705	H	1	noname	0.0233
692	H303     5.9426    34.5618   -47.5990	H	1	noname	0.0233
693	H304     6.7574    32.0433   -49.9750	H	1	noname	0.0233
694	H305     7.0127    33.1758   -47.2796	H	1	noname	0.0233
695	H306     5.4100    30.9163   -49.6876	H	1	noname	0.0233
696	H307     6.7046    31.0828   -48.4774	H	1	noname	0.0233
697	H308     6.8702    26.1567   -40.9201	H	1	noname	0.2101
698	H309    -8.9657    26.9380   -43.7971	H	1	noname	0.1271
699	H310    -9.4207    27.4829   -45.3168	H	1	noname	0.1271
700	H311     0.0009    31.9521   -56.2865	H	1	noname	0.0590
701	H312    11.8539    17.5916   -35.4812	H	1	noname	0.0626
702	H313    13.1027    21.1154   -37.4634	H	1	noname	0.0626
703	H314     3.9122    21.2761   -45.4913	H	1	noname	0.1271
704	H315     2.4319    21.7556   -44.8650	H	1	noname	0.1271
705	H316    -1.8172    31.2827   -46.3535	H	1	noname	0.0410
706	H317    -0.7658    30.8706   -47.7079	H	1	noname	0.0410
707	H318     1.9831    30.7163   -44.1834	H	1	noname	0.1316
708	H319    -2.0349    29.2895   -53.7410	H	1	noname	0.0563
709	H320     4.1075    37.9386   -44.7376	H	1	noname	0.0354
710	H321     5.6917    37.9515   -45.2978	H	1	noname	0.0354
711	H322    -2.4831    30.2882   -51.9228	H	1	noname	0.1318
712	H323     3.3766    26.4328   -55.3151	H	1	noname	0.2101
713	H324     6.8207    35.8720   -45.5587	H	1	noname	0.1319
714	H325     7.2051    32.7613   -43.0931	H	1	noname	0.0566
715	H326    -1.0698    31.9375   -53.6228	H	1	noname	0.1319
716	H327    11.0240    18.9187   -33.6681	H	1	noname	0.0650
717	H328    12.1823    22.4316   -35.6854	H	1	noname	0.0650
718	H329    -1.8415    33.5599   -56.5019	H	1	noname	0.0585
719	H330    -0.2787    34.3961   -56.5419	H	1	noname	0.0585
720	H331    14.4907    26.3412   -48.0466	H	1	noname	0.2213
721	H332     5.6415    34.9314   -41.7249	H	1	noname	0.0292
722	H333     6.2105    33.4864   -40.9069	H	1	noname	0.0292
723	H334    12.7374    22.6876   -38.5549	H	1	noname	0.1271
724	H335    11.3368    22.9876   -39.4100	H	1	noname	0.1271
725	H336    -3.9063    28.8644   -55.3162	H	1	noname	0.0251
726	H337    -4.8734    30.0545   -54.4125	H	1	noname	0.0251
727	H338    -4.2874    28.5829   -53.6005	H	1	noname	0.0251
728	H339     9.0866    33.4166   -42.3828	H	1	noname	0.1318
729	H340     1.3150    26.6783   -47.2159	H	1	noname	0.2181
730	H341     4.3561    33.3951   -43.2960	H	1	noname	0.0361
731	H342     4.9266    32.0294   -42.4442	H	1	noname	0.0361
732	H343    17.5784    18.8879   -44.0684	H	1	noname	0.2213
733	H344    10.7172    34.8599   -42.4184	H	1	noname	0.0571
734	H345    14.7654    14.5982   -47.8964	H	1	noname	0.1271
735	H346    14.7933    14.3819   -46.2319	H	1	noname	0.1271
736	H347     6.1759    36.5775   -41.9872	H	1	noname	0.0808
737	H348    10.5754    36.4384   -39.8298	H	1	noname	0.0382
738	H349    11.0654    34.7257   -40.0860	H	1	noname	0.0382
739	H350    10.0089    37.6478   -41.8997	H	1	noname	0.1319
740	H351    -1.8160    35.4589   -55.1668	H	1	noname	0.2101
741	H352    10.2878    35.1589   -44.5619	H	1	noname	0.0562
742	H353    11.9678    37.2549   -45.9931	H	1	noname	0.0318
743	H354     6.7358    38.3284   -40.3112	H	1	noname	0.1531
744	H355    10.7339    20.8402   -32.7855	H	1	noname	0.2181
745	H356     6.1089    40.5704   -41.2201	H	1	noname	0.1013
746	H357    13.9425    36.0696   -45.1456	H	1	noname	0.0234
747	H358    12.8931    35.0137   -44.1699	H	1	noname	0.0234
748	H359    12.9684    36.7582   -43.8246	H	1	noname	0.0234
749	H360    13.0121    35.3164   -47.1559	H	1	noname	0.0234
750	H361    11.2681    35.3956   -47.5031	H	1	noname	0.0234
751	H362    11.8887    34.2114   -46.3281	H	1	noname	0.0234
752	H363     9.4499    35.7574   -46.6828	H	1	noname	0.1191
753	H364     8.4681    36.4063   -45.4995	H	1	noname	0.1191
754	H365     2.7510    33.8890   -39.6627	H	1	noname	0.1271
755	H366     4.3139    34.3981   -39.9974	H	1	noname	0.1271
756	H367    14.1621    35.6984   -41.6948	H	1	noname	0.1271
757	H368    12.9369    34.5696   -41.8942	H	1	noname	0.1271
@<TRIPOS>BOND
1	1	2	1
2	1	209	1
3	2	264	1
4	3	4	1
5	3	318	1
6	4	336	1
7	5	6	1
8	5	351	1
9	6	362	1
10	7	149	2
11	8	150	2
12	152	9	1
13	9	410	1
14	10	157	2
15	11	158	2
16	12	165	2
17	13	168	1
18	13	433	1
19	14	168	2
20	15	175	1
21	15	440	1
22	16	176	2
23	17	185	2
24	18	192	2
25	19	196	2
26	20	201	2
27	21	203	1
28	21	473	1
29	22	203	2
30	23	205	2
31	24	211	2
32	25	214	2
33	26	223	2
34	27	235	2
35	28	236	2
36	29	237	2
37	30	240	2
38	31	241	2
39	32	251	2
40	33	256	2
41	34	258	2
42	35	261	2
43	36	262	2
44	37	281	2
45	38	282	2
46	39	294	1
47	39	661	1
48	40	296	1
49	40	665	1
50	41	290	2
51	42	291	2
52	43	292	2
53	44	295	2
54	45	303	1
55	45	671	1
56	46	296	2
57	47	300	2
58	48	303	2
59	49	306	2
60	50	307	2
61	51	311	2
62	52	316	1
63	52	697	1
64	53	317	2
65	54	327	1
66	54	712	1
67	55	321	2
68	56	323	2
69	57	325	2
70	58	331	2
71	59	340	1
72	59	720	1
73	60	338	2
74	61	339	2
75	62	340	2
76	63	343	2
77	64	354	1
78	64	729	1
79	65	345	2
80	66	355	1
81	66	732	1
82	67	356	2
83	68	357	2
84	69	355	2
85	70	361	2
86	71	363	2
87	72	372	1
88	72	740	1
89	73	367	2
90	74	368	2
91	75	374	1
92	75	744	1
93	76	371	2
94	77	379	2
95	78	384	2
96	79	385	2
97	80	387	2
98	81	145	1
99	81	148	1
100	81	149	1
101	82	150	1
102	153	82	1
103	82	398	1
104	151	83	1
105	83	158	1
106	83	401	1
107	84	157	1
108	163	84	1
109	84	415	1
110	159	85	1
111	85	165	1
112	85	416	1
113	86	162	1
114	86	424	1
115	86	425	1
116	166	87	1
117	87	176	1
118	87	430	1
119	177	88	1
120	88	185	1
121	88	439	1
122	89	188	1
123	89	192	1
124	89	451	1
125	193	90	1
126	90	196	1
127	90	455	1
128	91	197	1
129	91	202	1
130	91	463	1
131	198	92	1
132	92	201	1
133	92	464	1
134	93	202	1
135	93	469	1
136	93	470	1
137	94	202	2
138	94	471	1
139	95	204	1
140	95	205	1
141	95	472	1
142	206	96	1
143	96	211	1
144	96	476	1
145	207	97	1
146	97	214	1
147	97	483	1
148	210	98	1
149	98	223	1
150	98	485	1
151	215	99	1
152	99	235	1
153	99	517	1
154	222	100	1
155	100	236	1
156	100	518	1
157	224	101	1
158	101	237	1
159	101	519	1
160	220	102	1
161	102	251	1
162	102	523	1
163	219	103	1
164	103	262	1
165	103	525	1
166	225	104	1
167	104	258	1
168	104	526	1
169	239	105	1
170	105	240	1
171	105	535	1
172	106	241	1
173	242	106	1
174	106	550	1
175	243	107	1
176	107	256	1
177	107	563	1
178	108	261	1
179	271	108	1
180	108	583	1
181	257	109	1
182	109	295	1
183	109	586	1
184	260	110	1
185	110	282	1
186	110	589	1
187	274	111	1
188	111	292	1
189	111	607	1
190	112	281	1
191	283	112	1
192	112	608	1
193	277	113	1
194	113	290	1
195	113	611	1
196	273	114	1
197	114	307	1
198	114	612	1
199	275	115	1
200	115	311	1
201	115	616	1
202	116	291	1
203	308	116	1
204	116	628	1
205	117	306	1
206	309	117	1
207	117	633	1
208	118	280	1
209	118	636	1
210	118	637	1
211	301	119	1
212	119	317	1
213	119	640	1
214	120	300	1
215	322	120	1
216	120	643	1
217	121	287	1
218	121	326	2
219	298	122	1
220	122	339	1
221	122	644	1
222	123	312	1
223	123	326	1
224	123	650	1
225	310	124	1
226	124	331	1
227	124	652	1
228	125	323	1
229	125	337	1
230	125	669	1
231	126	320	1
232	126	338	1
233	126	670	1
234	127	324	1
235	127	361	1
236	127	675	1
237	328	128	1
238	128	357	1
239	128	678	1
240	342	129	1
241	129	343	1
242	129	690	1
243	130	321	1
244	130	698	1
245	130	699	1
246	131	325	1
247	131	703	1
248	131	704	1
249	132	344	1
250	132	363	1
251	132	707	1
252	133	356	1
253	133	364	1
254	133	711	1
255	348	134	1
256	134	371	1
257	134	713	1
258	135	358	1
259	135	368	1
260	135	715	1
261	136	345	1
262	136	723	1
263	136	724	1
264	366	137	1
265	137	379	1
266	137	728	1
267	138	367	1
268	138	734	1
269	138	735	1
270	139	375	1
271	139	386	2
272	378	140	1
273	140	384	1
274	140	739	1
275	141	380	1
276	141	386	1
277	141	743	1
278	382	142	1
279	142	752	1
280	142	753	1
281	143	385	1
282	143	754	1
283	143	755	1
284	144	387	1
285	144	756	1
286	144	757	1
287	145	146	1
288	145	150	1
289	145	390	1
290	146	147	1
291	146	391	1
292	146	392	1
293	147	148	1
294	147	393	1
295	147	394	1
296	148	395	1
297	148	396	1
298	149	151	1
299	151	152	1
300	151	397	1
301	152	155	1
302	152	399	1
303	153	154	1
304	153	157	1
305	153	400	1
306	154	156	1
307	154	402	1
308	154	403	1
309	155	404	1
310	155	405	1
311	155	406	1
312	156	160	1
313	156	407	1
314	156	408	1
315	158	159	1
316	159	161	1
317	159	409	1
318	160	162	1
319	160	411	1
320	160	412	1
321	161	164	1
322	161	413	1
323	161	414	1
324	162	417	1
325	162	418	1
326	163	167	1
327	163	168	1
328	163	419	1
329	164	169	2
330	164	170	1
331	165	166	1
332	166	171	1
333	166	420	1
334	167	421	1
335	167	422	1
336	167	423	1
337	169	172	1
338	169	426	1
339	170	173	2
340	170	427	1
341	171	174	1
342	171	428	1
343	171	429	1
344	172	175	2
345	172	431	1
346	173	175	1
347	173	432	1
348	174	178	2
349	174	179	1
350	176	177	1
351	177	180	1
352	177	434	1
353	178	181	1
354	178	435	1
355	179	182	2
356	179	436	1
357	180	183	1
358	180	437	1
359	180	438	1
360	181	184	2
361	181	441	1
362	182	184	1
363	182	442	1
364	183	186	2
365	183	187	1
366	184	443	1
367	185	188	1
368	186	189	1
369	186	444	1
370	187	190	2
371	187	445	1
372	188	446	1
373	188	447	1
374	189	191	2
375	189	448	1
376	190	191	1
377	190	449	1
378	191	450	1
379	192	193	1
380	193	194	1
381	193	452	1
382	194	195	1
383	194	453	1
384	194	454	1
385	195	197	1
386	195	456	1
387	195	457	1
388	196	198	1
389	197	458	1
390	197	459	1
391	198	199	1
392	198	460	1
393	199	200	1
394	199	461	1
395	199	462	1
396	200	203	1
397	200	465	1
398	200	466	1
399	201	204	1
400	204	467	1
401	204	468	1
402	205	206	1
403	206	209	1
404	206	474	1
405	207	208	1
406	207	211	1
407	207	475	1
408	208	216	1
409	208	217	1
410	208	477	1
411	209	478	1
412	209	479	1
413	210	212	1
414	210	214	1
415	210	480	1
416	212	213	1
417	212	481	1
418	212	482	1
419	213	230	1
420	213	231	1
421	213	484	1
422	215	223	1
423	215	232	1
424	215	486	1
425	216	491	1
426	216	492	1
427	216	493	1
428	217	488	1
429	217	489	1
430	217	490	1
431	218	219	1
432	218	234	1
433	218	238	1
434	218	487	1
435	219	236	1
436	219	494	1
437	220	221	1
438	220	235	1
439	220	495	1
440	221	227	1
441	221	496	1
442	221	497	1
443	222	226	1
444	222	241	1
445	222	498	1
446	224	229	1
447	224	240	1
448	224	499	1
449	225	228	1
450	225	237	1
451	225	500	1
452	226	244	1
453	226	245	1
454	226	501	1
455	227	246	1
456	227	247	1
457	227	502	1
458	228	233	1
459	228	503	1
460	228	504	1
461	229	249	1
462	229	250	1
463	229	505	1
464	230	509	1
465	230	510	1
466	230	511	1
467	231	506	1
468	231	507	1
469	231	508	1
470	232	248	1
471	232	512	1
472	232	513	1
473	233	253	1
474	233	254	1
475	233	514	1
476	234	255	1
477	234	515	1
478	234	516	1
479	238	520	1
480	238	521	1
481	238	522	1
482	239	252	1
483	239	256	1
484	239	524	1
485	242	259	1
486	242	261	1
487	242	527	1
488	243	251	1
489	243	266	1
490	243	528	1
491	244	532	1
492	244	533	1
493	244	534	1
494	245	529	1
495	245	530	1
496	245	531	1
497	246	536	1
498	246	538	1
499	246	539	1
500	247	537	1
501	247	540	1
502	247	541	1
503	248	269	2
504	248	270	1
505	249	542	1
506	249	546	1
507	249	547	1
508	250	543	1
509	250	544	1
510	250	545	1
511	252	265	1
512	252	548	1
513	252	549	1
514	253	552	1
515	253	553	1
516	253	554	1
517	254	551	1
518	254	555	1
519	254	556	1
520	255	557	1
521	255	558	1
522	255	559	1
523	257	258	1
524	257	267	1
525	257	560	1
526	259	272	1
527	259	561	1
528	259	562	1
529	260	263	1
530	260	281	1
531	260	564	1
532	262	280	1
533	263	268	1
534	263	565	1
535	263	566	1
536	264	273	1
537	264	569	1
538	264	570	1
539	265	296	1
540	265	567	1
541	265	568	1
542	266	571	1
543	266	572	1
544	266	573	1
545	267	287	1
546	267	574	1
547	267	575	1
548	268	288	1
549	268	289	1
550	268	576	1
551	269	285	1
552	269	577	1
553	270	286	2
554	270	578	1
555	271	278	1
556	271	291	1
557	271	579	1
558	272	303	1
559	272	580	1
560	272	581	1
561	273	300	1
562	273	582	1
563	274	282	1
564	274	284	1
565	274	584	1
566	275	276	1
567	275	290	1
568	275	585	1
569	276	279	1
570	276	587	1
571	276	588	1
572	277	292	1
573	277	293	1
574	277	590	1
575	278	299	1
576	278	592	1
577	278	593	1
578	279	304	1
579	279	305	1
580	279	591	1
581	280	594	1
582	280	595	1
583	283	297	1
584	283	306	1
585	283	596	1
586	284	302	1
587	284	597	1
588	284	598	1
589	285	294	2
590	285	599	1
591	286	294	1
592	286	600	1
593	287	312	2
594	288	604	1
595	288	605	1
596	288	606	1
597	289	601	1
598	289	602	1
599	289	603	1
600	293	313	1
601	293	609	1
602	293	610	1
603	295	298	1
604	297	314	1
605	297	613	1
606	297	614	1
607	298	316	1
608	298	615	1
609	299	321	1
610	299	617	1
611	299	618	1
612	301	307	1
613	301	315	1
614	301	619	1
615	302	325	1
616	302	620	1
617	302	621	1
618	304	624	1
619	304	626	1
620	304	627	1
621	305	622	1
622	305	623	1
623	305	625	1
624	308	318	1
625	308	323	1
626	308	629	1
627	309	317	1
628	309	319	1
629	309	630	1
630	310	311	1
631	310	327	1
632	310	631	1
633	312	632	1
634	313	332	2
635	313	333	1
636	314	340	1
637	314	634	1
638	314	635	1
639	315	334	1
640	315	638	1
641	315	639	1
642	316	641	1
643	316	642	1
644	318	645	1
645	318	646	1
646	319	345	1
647	319	647	1
648	319	648	1
649	320	331	1
650	320	336	1
651	320	649	1
652	322	341	1
653	322	355	1
654	322	651	1
655	324	329	1
656	324	338	1
657	324	653	1
658	326	654	1
659	327	655	1
660	327	656	1
661	328	330	1
662	328	343	1
663	328	657	1
664	329	349	1
665	329	350	1
666	329	658	1
667	330	335	1
668	330	659	1
669	330	660	1
670	332	346	1
671	332	662	1
672	333	347	2
673	333	663	1
674	334	359	2
675	334	360	1
676	335	352	1
677	335	353	1
678	335	664	1
679	336	666	1
680	336	667	1
681	337	351	1
682	337	356	1
683	337	668	1
684	339	344	1
685	341	367	1
686	341	672	1
687	341	673	1
688	342	362	1
689	342	363	1
690	342	674	1
691	344	676	1
692	344	677	1
693	346	354	2
694	346	679	1
695	347	354	1
696	347	680	1
697	348	357	1
698	348	365	1
699	348	681	1
700	349	685	1
701	349	686	1
702	349	687	1
703	350	682	1
704	350	683	1
705	350	684	1
706	351	688	1
707	351	689	1
708	352	691	1
709	352	692	1
710	352	694	1
711	353	693	1
712	353	695	1
713	353	696	1
714	358	361	1
715	358	372	1
716	358	700	1
717	359	369	1
718	359	701	1
719	360	370	2
720	360	702	1
721	362	705	1
722	362	706	1
723	364	368	1
724	364	376	1
725	364	708	1
726	365	375	1
727	365	709	1
728	365	710	1
729	366	371	1
730	366	373	1
731	366	714	1
732	369	374	2
733	369	716	1
734	370	374	1
735	370	717	1
736	372	718	1
737	372	719	1
738	373	377	1
739	373	721	1
740	373	722	1
741	375	380	2
742	376	725	1
743	376	726	1
744	376	727	1
745	377	385	1
746	377	730	1
747	377	731	1
748	378	379	1
749	378	381	1
750	378	733	1
751	380	736	1
752	381	387	1
753	381	737	1
754	381	738	1
755	382	383	1
756	382	384	1
757	382	741	1
758	383	388	1
759	383	389	1
760	383	742	1
761	386	745	1
762	388	749	1
763	388	750	1
764	388	751	1
765	389	746	1
766	389	747	1
767	389	748	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
