@<TRIPOS>MOLECULE
118984457
580 621 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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311	C124    58.3292     3.8151    -4.8818	C.2	1	noname	0.1019
312	C125    35.9061    17.3433    13.6054	C.2	1	noname	0.1019
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314	C127    46.1283    11.0168    11.7164	C.2	1	noname	0.1019
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316	C129    63.5891     1.4679    -4.7117	C.2	1	noname	0.0252
317	C130    46.0988     5.5697     2.9893	C.2	1	noname	0.0884
318	C131    64.2339    10.5307    16.8365	C.3	1	noname	0.0721
319	C132    48.8571     9.4639     5.3622	C.2	1	noname	0.0729
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321	C134    50.5071    10.0375    18.5697	C.2	1	noname	0.0437
322	C135    52.6012     2.6599    -8.5743	C.2	1	noname	0.0884
323	C136    42.6231     4.3655    -9.3545	C.2	1	noname	-0.0084
324	C137    58.3033    13.7225    14.8201	C.2	1	noname	-0.0523
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326	C139    44.2361    15.9407    -0.9933	C.2	1	noname	-0.0771
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330	C143    36.9124    12.1127     9.3085	C.2	1	noname	-0.0084
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334	C147    43.6629     5.2769    -9.0913	C.2	1	noname	-0.0358
335	C148    51.7078    10.5872    19.0634	C.2	1	noname	0.0638
336	C149    58.6350     5.3353    -7.1529	C.2	1	noname	-0.0084
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340	C153    36.0430    12.2159     8.2067	C.2	1	noname	-0.0358
341	C154    56.9519     3.0469     2.7592	C.2	1	noname	-0.0358
342	C155    63.9227     2.5387    -5.5652	C.2	1	noname	0.0729
343	C156    59.5043     5.4913    -6.0577	C.2	1	noname	-0.0358
344	C157    63.1368     6.4358    15.3896	C.2	1	noname	-0.0377
345	C158    34.6566    16.1428    15.2165	C.2	1	noname	-0.0358
346	C159    47.5441    10.1854    10.0187	C.2	1	noname	-0.0358
347	C160    49.8569     8.8623    19.2127	C.3	1	noname	-0.0339
348	C161    59.5605    14.3315    14.7001	C.2	1	noname	-0.0084
349	C162    63.7878     6.5755    17.6454	C.2	1	noname	0.0298
350	C163    58.1517     0.8203     6.5640	C.2	1	noname	-0.0377
351	C164    60.0684    -0.1892     7.4325	C.2	1	noname	0.0298
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353	C166    61.6528     2.6045    -6.2678	C.2	1	noname	0.0503
354	C167    64.0379     5.3599    15.1677	C.2	1	noname	0.0437
355	C168    57.4394     0.6191     7.7684	C.2	1	noname	0.0437
356	C169    64.8142     4.9476    16.2702	C.2	1	noname	0.0638
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360	H1    36.7699     9.4882     1.1874	H	1	noname	0.0642
361	H2    40.2274    12.9816    -3.1240	H	1	noname	0.0642
362	H3    39.9438     6.8559    -0.9153	H	1	noname	0.0642
363	H4    35.7690     9.4633     3.8738	H	1	noname	0.0656
364	H5    38.4013    13.7663    -0.8472	H	1	noname	0.0656
365	H6    41.5670     5.1441    -2.3881	H	1	noname	0.0656
366	H7    42.3319    11.0852     5.4584	H	1	noname	0.0642
367	H8    41.4959    10.5245    -3.4895	H	1	noname	0.0642
368	H9    35.0943    11.5393     0.4085	H	1	noname	0.0338
369	H10    36.7133    11.8596     1.0163	H	1	noname	0.0338
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458	H99    57.2559     9.7511    14.0995	H	1	noname	0.0335
459	H100    52.8169     4.7889    -4.6990	H	1	noname	0.0604
460	H101    53.9779     4.9611    -3.3456	H	1	noname	0.0604
461	H102    56.1166    12.5524    14.0140	H	1	noname	0.0788
462	H103    52.4556    11.8025    14.2669	H	1	noname	0.0604
463	H104    52.3684    11.3298    12.5503	H	1	noname	0.0604
464	H105    57.6355    -0.6616    -0.6490	H	1	noname	0.0604
465	H106    58.3984     1.0824    -1.1027	H	1	noname	0.0604
466	H107    39.6625    13.9433    11.3575	H	1	noname	0.0604
467	H108    40.7501    15.2577    11.0192	H	1	noname	0.0604
468	H109    46.2645    15.3079    13.8160	H	1	noname	0.0604
469	H110    46.4424    13.6713    13.1519	H	1	noname	0.0604
470	H111    35.9325    14.2183     0.8037	H	1	noname	0.1016
471	H112    39.8519    18.0462    -3.4171	H	1	noname	0.1016
472	H113    42.0166     7.1779     2.3742	H	1	noname	0.1016
473	H114    44.7144     7.8063     5.7840	H	1	noname	0.1016
474	H115    44.8410    13.4293    -7.3040	H	1	noname	0.0762
475	H116    57.2044     9.3816    17.7763	H	1	noname	0.0604
476	H117    58.1310    10.0016    16.4015	H	1	noname	0.0604
477	H118    52.0679    -0.3115    -5.2914	H	1	noname	0.1016
478	H119    62.1909    11.0071    18.6156	H	1	noname	0.0642
479	H120    62.4334    11.3275    15.9681	H	1	noname	0.0656
480	H121    60.9431     8.4549    18.5464	H	1	noname	0.0335
481	H122    62.6242     8.7749    18.8523	H	1	noname	0.0335
482	H123    60.5975     0.3892     2.3992	H	1	noname	0.0656
483	H124    36.4027     6.4961    -6.4574	H	1	noname	0.0759
484	H125    61.1159     7.8308    16.3826	H	1	noname	0.0788
485	H126    61.0919    -1.7885     4.5264	H	1	noname	0.0630
486	H127    41.5240     2.7666    -8.5782	H	1	noname	0.0759
487	H128    62.1948     0.0977     5.6612	H	1	noname	0.0335
488	H129    62.0644     1.0988     4.2373	H	1	noname	0.0335
489	H130    59.9788     1.7748     4.8680	H	1	noname	0.0788
490	H131    49.0631    10.2720    17.0583	H	1	noname	0.0762
491	H132    38.8971    12.2874     9.9225	H	1	noname	0.0759
492	H133    63.8251    -0.8700    -2.6922	H	1	noname	0.1016
493	H134    53.9715     2.0688     3.9084	H	1	noname	0.0759
494	H135    42.4366    16.8065    -5.0590	H	1	noname	0.1418
495	H136    59.3096    -2.3250     2.7609	H	1	noname	0.0604
496	H137    58.9857    -1.1255     1.4763	H	1	noname	0.0604
497	H138    56.9431     4.3303    -7.8522	H	1	noname	0.0759
498	H139    35.2527    14.2822    12.5161	H	1	noname	0.0759
499	H140    45.5490    12.5893     8.8583	H	1	noname	0.0759
500	H141    64.5988     9.6673    17.4001	H	1	noname	0.0591
501	H142    64.4866    11.4326    17.3972	H	1	noname	0.0591
502	H143    36.6763     6.8480    -8.8418	H	1	noname	0.0666
503	H144    42.1358     4.3746   -10.2486	H	1	noname	0.0666
504	H145    57.5195    14.3178    15.1423	H	1	noname	0.0759
505	H146    53.0770    12.0156    18.8033	H	1	noname	0.1418
506	H147    44.7706    15.2159    -9.3827	H	1	noname	0.0282
507	H148    45.0820    16.8533    -8.8132	H	1	noname	0.0282
508	H149    46.1980    15.5630    -8.3751	H	1	noname	0.0282
509	H150    36.5642    11.8244    10.2255	H	1	noname	0.0666
510	H151    33.1808    16.5725     6.0360	H	1	noname	0.1400
511	H152    45.8295    17.1355    -1.4258	H	1	noname	0.1400
512	H153    56.2603     1.8366     4.3637	H	1	noname	0.0666
513	H154    47.5789     4.2231     2.7700	H	1	noname	0.1400
514	H155    58.7800     5.8669    -8.0100	H	1	noname	0.0666
515	H156    51.9805     4.0536    -9.8976	H	1	noname	0.1400
516	H157    34.2433    14.1280    14.6884	H	1	noname	0.0666
517	H158    47.3283    11.1473     8.1366	H	1	noname	0.0666
518	H159    48.9119    11.8262     3.0836	H	1	noname	0.1062
519	H160    63.2270    -1.4801     4.0309	H	1	noname	0.2105
520	H161    62.5558     6.7521    14.5980	H	1	noname	0.0762
521	H162    48.8562     9.1321    19.5527	H	1	noname	0.0282
522	H163    50.4144     8.5032    20.0763	H	1	noname	0.0282
523	H164    49.7893     8.0425    18.4969	H	1	noname	0.0282
524	H165    59.6981    15.3099    14.9671	H	1	noname	0.0666
525	H166    57.6770     1.2906     5.8060	H	1	noname	0.0762
526	H167    50.6432     8.9372     6.0830	H	1	noname	0.1258
527	H168    49.3536     8.5844     7.1026	H	1	noname	0.1258
528	H169    60.9479     3.0534    -6.8458	H	1	noname	0.1062
529	H170    32.6360    14.8611     7.4463	H	1	noname	0.1268
530	H171    32.2552    13.3925     6.7216	H	1	noname	0.1268
531	H172    44.5184    14.2121    -0.0247	H	1	noname	0.1268
532	H173    45.6163    15.4236     0.3700	H	1	noname	0.1268
533	H174    47.5083     2.3049     1.5536	H	1	noname	0.1268
534	H175    46.0088     1.5512     1.4297	H	1	noname	0.1268
535	H176    65.8733    10.6251    15.8027	H	1	noname	0.2101
536	H177    39.6186     8.4379   -10.2574	H	1	noname	0.1257
537	H178    37.9531     8.4078   -10.5235	H	1	noname	0.1257
538	H179    48.5462     4.1440    -9.2509	H	1	noname	0.1268
539	H180    49.7918     5.2051    -9.6415	H	1	noname	0.1268
540	H181    44.8764     6.6841    -9.8266	H	1	noname	0.1257
541	H182    43.3323     6.6729   -10.4978	H	1	noname	0.1257
542	H183    65.2104     5.2639    18.1946	H	1	noname	0.1418
543	H184    59.9146    -0.7794     9.3337	H	1	noname	0.1418
544	H185    34.2204    11.8839     7.4710	H	1	noname	0.1257
545	H186    34.2466    12.3032     9.1033	H	1	noname	0.1257
546	H187    58.8719     3.2898     2.2518	H	1	noname	0.1257
547	H188    58.6231     3.0615     3.9013	H	1	noname	0.1257
548	H189    65.4061     3.5947    -6.3806	H	1	noname	0.1258
549	H190    65.7209     3.0540    -4.8189	H	1	noname	0.1258
550	H191    61.1954     6.2989    -5.3687	H	1	noname	0.1257
551	H192    60.3620     7.2543    -6.4762	H	1	noname	0.1257
552	H193    34.2864    16.8916    17.0246	H	1	noname	0.1257
553	H194    33.2221    15.6734    16.5472	H	1	noname	0.1257
554	H195    48.9777     8.8654    10.4202	H	1	noname	0.1257
555	H196    48.4742     8.8745     8.8099	H	1	noname	0.1257
556	H197    63.2198     4.2460    13.5475	H	1	noname	0.0282
557	H198    64.9126     3.8875    13.8541	H	1	noname	0.0282
558	H199    64.4890     5.4114    13.0893	H	1	noname	0.0282
559	H200    55.3828     0.5125     7.2156	H	1	noname	0.0282
560	H201    55.6385     0.8108     8.9286	H	1	noname	0.0282
561	H202    55.9207     2.1101     7.7791	H	1	noname	0.0282
562	H203    62.5917    13.3873    13.9288	H	1	noname	0.1257
563	H204    61.9789    14.9438    13.7055	H	1	noname	0.1257
564	H205    59.6284    -5.4854     0.2944	H	1	noname	0.1179
565	H206    37.3570    13.9391    -5.5000	H	1	noname	0.2259
566	H207    39.3986     7.6240     4.9150	H	1	noname	0.2259
567	H208    41.9527     8.2786    -5.7280	H	1	noname	0.2259
568	H209    32.8379    10.2147    -0.0694	H	1	noname	0.2259
569	H210    38.8857     1.9813     0.1092	H	1	noname	0.2259
570	H211    41.3938    10.1479    -1.2992	H	1	noname	0.2259
571	H212    44.4438     0.9147    -0.7055	H	1	noname	0.2259
572	H213    49.5086    -2.2119    -1.8494	H	1	noname	0.2259
573	H214    42.2961    15.9071     2.0026	H	1	noname	0.2259
574	H215    51.1123     6.2382    -1.3465	H	1	noname	0.2259
575	H216    41.1212    20.2088     9.5629	H	1	noname	0.2259
576	H217    48.5804    16.9823    13.4976	H	1	noname	0.2259
577	H218    56.8606     1.9149    -0.1534	H	1	noname	0.2259
578	H219    39.9127    12.8583    14.0564	H	1	noname	0.2259
579	H220    53.4568     8.7125    12.0088	H	1	noname	0.2259
580	H221    58.4345     9.7807    20.1755	H	1	noname	0.2259
@<TRIPOS>BOND
1	1	18	2
2	2	19	2
3	3	20	2
4	4	21	2
5	5	22	2
6	6	23	2
7	7	24	2
8	8	25	2
9	9	26	2
10	10	27	2
11	11	28	2
12	12	29	2
13	13	30	2
14	14	31	2
15	15	32	2
16	16	33	1
17	16	564	1
18	17	34	2
19	18	43	1
20	18	60	1
21	18	85	1
22	19	46	1
23	19	56	1
24	19	86	1
25	20	47	1
26	20	58	1
27	20	87	1
28	21	44	1
29	21	63	1
30	21	88	1
31	22	45	1
32	22	66	1
33	22	90	1
34	23	51	1
35	23	61	1
36	23	91	1
37	24	52	1
38	24	67	1
39	24	93	1
40	25	50	1
41	25	73	1
42	25	94	1
43	26	62	1
44	26	64	1
45	26	95	1
46	27	65	1
47	27	77	1
48	27	96	1
49	28	69	1
50	28	75	1
51	28	98	1
52	29	68	1
53	29	79	1
54	29	99	1
55	30	70	1
56	30	78	1
57	30	100	1
58	31	71	1
59	31	80	1
60	31	101	1
61	32	76	1
62	32	81	1
63	32	103	1
64	33	74	1
65	33	92	1
66	33	106	2
67	34	84	1
68	34	89	1
69	34	118	1
70	35	191	1
71	35	201	1
72	36	192	1
73	36	202	1
74	37	193	1
75	37	203	1
76	38	199	1
77	38	207	1
78	39	198	1
79	39	210	1
80	40	208	1
81	40	214	1
82	41	212	1
83	41	218	1
84	42	215	1
85	42	220	1
86	189	43	1
87	188	44	1
88	190	45	1
89	194	46	1
90	195	47	1
91	48	223	1
92	48	235	1
93	49	224	1
94	49	239	1
95	205	50	1
96	209	51	1
97	213	52	1
98	53	233	1
99	53	246	1
100	54	241	1
101	54	251	1
102	55	237	1
103	55	253	1
104	56	222	1
105	57	242	1
106	57	254	1
107	58	225	1
108	59	245	1
109	59	255	1
110	60	227	1
111	61	226	1
112	219	62	1
113	63	244	1
114	64	230	1
115	221	65	1
116	66	249	1
117	67	240	1
118	229	68	1
119	234	69	1
120	232	70	1
121	238	71	1
122	72	259	1
123	72	262	1
124	73	257	1
125	236	74	1
126	75	258	1
127	256	76	1
128	77	261	1
129	78	264	1
130	79	266	1
131	80	265	1
132	81	263	1
133	82	285	1
134	82	290	1
135	83	287	1
136	83	298	1
137	84	277	1
138	85	565	1
139	86	566	1
140	87	567	1
141	88	568	1
142	281	89	1
143	90	569	1
144	91	570	1
145	92	305	1
146	93	571	1
147	94	572	1
148	95	573	1
149	96	574	1
150	97	278	2
151	98	575	1
152	99	576	1
153	100	577	1
154	101	578	1
155	291	102	1
156	102	519	1
157	103	579	1
158	104	292	2
159	105	294	2
160	107	302	2
161	108	304	2
162	109	306	2
163	110	318	1
164	110	535	1
165	111	310	2
166	112	311	2
167	113	312	2
168	114	314	2
169	115	313	2
170	116	315	2
171	117	317	2
172	118	580	1
173	119	322	2
174	120	328	2
175	121	335	2
176	122	349	2
177	123	351	2
178	124	356	2
179	125	357	2
180	201	126	1
181	126	267	1
182	126	271	1
183	202	127	1
184	127	268	1
185	127	273	1
186	203	128	1
187	128	269	1
188	128	274	1
189	207	129	1
190	129	270	1
191	129	275	1
192	210	130	1
193	130	276	1
194	130	278	1
195	214	131	1
196	131	272	1
197	131	279	1
198	218	132	1
199	132	288	1
200	132	292	1
201	220	133	1
202	133	293	1
203	133	294	1
204	235	134	1
205	134	300	1
206	134	304	1
207	239	135	1
208	135	303	1
209	135	306	1
210	251	136	1
211	136	295	1
212	136	301	1
213	246	137	1
214	137	299	1
215	137	302	1
216	253	138	1
217	138	307	1
218	138	311	1
219	254	139	1
220	139	308	1
221	139	312	1
222	255	140	1
223	140	309	1
224	140	314	1
225	262	141	1
226	141	324	1
227	141	328	1
228	142	271	2
229	142	280	1
230	143	273	2
231	143	282	1
232	144	274	2
233	144	283	1
234	145	275	2
235	145	284	1
236	146	279	2
237	146	289	1
238	147	278	1
239	147	310	1
240	147	494	1
241	148	267	1
242	148	325	2
243	149	268	1
244	149	326	2
245	150	269	1
246	150	327	2
247	151	270	2
248	151	339	1
249	152	272	1
250	152	333	2
251	290	153	1
252	153	344	1
253	153	349	1
254	298	154	1
255	154	350	1
256	154	351	1
257	155	301	2
258	155	316	1
259	156	302	1
260	156	335	1
261	156	505	1
262	157	292	1
263	157	332	2
264	158	313	1
265	158	325	1
266	158	510	1
267	159	315	1
268	159	326	1
269	159	511	1
270	160	294	1
271	160	334	2
272	161	317	1
273	161	327	1
274	161	513	1
275	162	322	1
276	162	333	1
277	162	515	1
278	163	304	1
279	163	340	2
280	164	295	2
281	164	353	1
282	165	306	1
283	165	341	2
284	166	311	1
285	166	343	2
286	167	319	1
287	167	339	2
288	168	312	1
289	168	345	2
290	169	314	1
291	169	346	2
292	170	319	1
293	170	526	1
294	170	527	1
295	171	328	1
296	171	352	2
297	172	325	1
298	172	529	1
299	172	530	1
300	173	326	1
301	173	531	1
302	173	532	1
303	174	327	1
304	174	533	1
305	174	534	1
306	175	342	1
307	175	353	2
308	176	332	1
309	176	536	1
310	176	537	1
311	177	333	1
312	177	538	1
313	177	539	1
314	178	334	1
315	178	540	1
316	178	541	1
317	179	349	1
318	179	356	1
319	179	542	1
320	180	351	1
321	180	357	1
322	180	543	1
323	181	340	1
324	181	544	1
325	181	545	1
326	182	341	1
327	182	546	1
328	182	547	1
329	183	342	1
330	183	548	1
331	183	549	1
332	184	343	1
333	184	550	1
334	184	551	1
335	185	345	1
336	185	552	1
337	185	553	1
338	186	346	1
339	186	554	1
340	186	555	1
341	187	352	1
342	187	562	1
343	187	563	1
344	188	191	1
345	188	196	1
346	188	360	1
347	189	192	1
348	189	197	1
349	189	361	1
350	190	193	1
351	190	200	1
352	190	362	1
353	191	222	1
354	191	363	1
355	192	226	1
356	192	364	1
357	193	225	1
358	193	365	1
359	194	199	1
360	194	204	1
361	194	366	1
362	195	198	1
363	195	206	1
364	195	367	1
365	196	201	1
366	196	368	1
367	196	369	1
368	197	202	1
369	197	370	1
370	197	371	1
371	198	227	1
372	198	372	1
373	199	230	1
374	199	373	1
375	200	203	1
376	200	374	1
377	200	375	1
378	201	376	1
379	202	377	1
380	203	378	1
381	204	207	1
382	204	379	1
383	204	380	1
384	205	208	1
385	205	211	1
386	205	381	1
387	206	210	1
388	206	382	1
389	206	383	1
390	207	384	1
391	208	240	1
392	208	385	1
393	209	212	1
394	209	216	1
395	209	386	1
396	210	387	1
397	211	214	1
398	211	388	1
399	211	389	1
400	212	244	1
401	212	390	1
402	213	215	1
403	213	217	1
404	213	391	1
405	214	392	1
406	215	249	1
407	215	393	1
408	216	218	1
409	216	394	1
410	216	395	1
411	217	220	1
412	217	396	1
413	217	397	1
414	218	398	1
415	219	223	1
416	219	228	1
417	219	399	1
418	220	400	1
419	221	224	1
420	221	231	1
421	221	401	1
422	222	402	1
423	222	403	1
424	223	258	1
425	223	404	1
426	224	257	1
427	224	405	1
428	225	406	1
429	225	407	1
430	226	408	1
431	226	409	1
432	227	410	1
433	227	411	1
434	228	235	1
435	228	412	1
436	228	413	1
437	229	233	1
438	229	243	1
439	229	414	1
440	230	415	1
441	230	416	1
442	231	239	1
443	231	417	1
444	231	418	1
445	232	237	1
446	232	247	1
447	232	419	1
448	233	263	1
449	233	420	1
450	234	242	1
451	234	250	1
452	234	421	1
453	235	422	1
454	236	241	1
455	236	248	1
456	236	423	1
457	237	261	1
458	237	424	1
459	238	245	1
460	238	252	1
461	238	425	1
462	239	426	1
463	240	427	1
464	240	428	1
465	241	264	1
466	241	429	1
467	242	265	1
468	242	430	1
469	243	246	1
470	243	431	1
471	243	432	1
472	244	433	1
473	244	434	1
474	245	266	1
475	245	435	1
476	246	436	1
477	247	253	1
478	247	437	1
479	247	438	1
480	248	251	1
481	248	439	1
482	248	440	1
483	249	441	1
484	249	442	1
485	250	254	1
486	250	443	1
487	250	444	1
488	251	445	1
489	252	255	1
490	252	446	1
491	252	447	1
492	253	448	1
493	254	449	1
494	255	450	1
495	256	259	1
496	256	260	1
497	256	451	1
498	257	452	1
499	257	453	1
500	258	454	1
501	258	455	1
502	259	277	1
503	259	456	1
504	260	262	1
505	260	457	1
506	260	458	1
507	261	459	1
508	261	460	1
509	262	461	1
510	263	462	1
511	263	463	1
512	264	464	1
513	264	465	1
514	265	466	1
515	265	467	1
516	266	468	1
517	266	469	1
518	267	280	2
519	268	282	2
520	269	283	2
521	270	284	1
522	271	470	1
523	272	289	2
524	273	471	1
525	274	472	1
526	275	473	1
527	276	297	2
528	276	474	1
529	277	475	1
530	277	476	1
531	279	477	1
532	280	313	1
533	281	285	1
534	281	286	1
535	281	478	1
536	282	315	1
537	283	317	1
538	284	319	2
539	285	318	1
540	285	479	1
541	286	290	1
542	286	480	1
543	286	481	1
544	287	291	1
545	287	305	1
546	287	482	1
547	288	320	2
548	288	483	1
549	289	322	1
550	290	484	1
551	291	296	1
552	291	485	1
553	293	323	2
554	293	486	1
555	295	316	1
556	296	298	1
557	296	487	1
558	296	488	1
559	297	310	1
560	297	329	1
561	298	489	1
562	299	321	2
563	299	490	1
564	300	330	2
565	300	491	1
566	301	492	1
567	303	331	2
568	303	493	1
569	305	495	1
570	305	496	1
571	307	336	2
572	307	497	1
573	308	337	2
574	308	498	1
575	309	338	2
576	309	499	1
577	316	342	2
578	318	500	1
579	318	501	1
580	320	332	1
581	320	502	1
582	321	335	1
583	321	347	1
584	323	334	1
585	323	503	1
586	324	348	2
587	324	504	1
588	329	506	1
589	329	507	1
590	329	508	1
591	330	340	1
592	330	509	1
593	331	341	1
594	331	512	1
595	336	343	1
596	336	514	1
597	337	345	1
598	337	516	1
599	338	346	1
600	338	517	1
601	339	518	1
602	344	354	2
603	344	520	1
604	347	521	1
605	347	522	1
606	347	523	1
607	348	352	1
608	348	524	1
609	350	355	2
610	350	525	1
611	353	528	1
612	354	356	1
613	354	358	1
614	355	357	1
615	355	359	1
616	358	556	1
617	358	557	1
618	358	558	1
619	359	559	1
620	359	560	1
621	359	561	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
