@<TRIPOS>MOLECULE
71301236
798 810 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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221	C71   -31.8558    49.4111    57.2401	C.3	1	noname	0.0280
222	C72   -39.1720    55.1745    55.7473	C.3	1	noname	-0.0265
223	C73   -34.8225    52.0412    56.5630	C.2	1	noname	0.0497
224	C74   -40.2315    55.9514    56.5545	C.3	1	noname	-0.0451
225	C75   -36.7385    55.0242    55.2226	C.2	1	noname	0.0494
226	C76   -15.4973    35.2011    47.4893	C.3	1	noname	-0.0201
227	C77   -16.5447    34.6001    48.4877	C.3	1	noname	0.0903
228	C78   -39.0172    58.4476    52.3702	C.3	1	noname	0.0918
229	C79   -35.5952    59.4924    51.1693	C.3	1	noname	0.0880
230	C80   -18.8303    32.5188    48.9668	C.3	1	noname	0.0901
231	C81   -34.3565    55.7061    57.5417	C.3	1	noname	-0.0608
232	C82   -35.4136    53.8808    58.8808	C.3	1	noname	-0.0608
233	C83   -32.2797    52.3881    48.6629	C.3	1	noname	0.0901
234	C84   -34.8038    60.2269    50.0476	C.3	1	noname	-0.0265
235	C85   -28.9585    53.0015    50.4604	C.3	1	noname	0.0880
236	C86   -19.4230    32.1554    47.5867	C.3	1	noname	-0.0227
237	C87   -39.1111    57.2930    53.3622	C.2	1	noname	0.0495
238	C88   -27.5941    53.6486    50.0818	C.3	1	noname	-0.0265
239	C89   -32.1526    51.2042    47.6788	C.3	1	noname	-0.0227
240	C90   -34.4775    59.4176    48.7811	C.3	1	noname	-0.0451
241	C91   -26.6223    53.9388    51.2399	C.3	1	noname	-0.0451
242	C92   -15.7243    36.6938    47.2641	C.3	1	noname	-0.0516
243	C93   -41.4020    55.0234    56.8856	C.3	1	noname	-0.0627
244	C94   -39.6067    56.4673    57.8523	C.3	1	noname	-0.0627
245	C95   -40.1605    58.4812    51.2890	C.3	1	noname	-0.0035
246	C96   -16.4186    33.1098    48.6434	C.2	1	noname	0.0495
247	C97   -37.0406    59.2223    50.9316	C.2	1	noname	0.0494
248	C98   -29.9279    52.9438    49.3302	C.2	1	noname	0.0494
249	C99   -15.4630    34.6356    46.0416	C.3	1	noname	-0.0605
250	C100   -34.6000    53.5772    51.4397	C.3	1	noname	0.0883
251	C101   -19.5813    31.8165    50.0354	C.2	1	noname	0.0494
252	C102   -33.5338    52.4151    49.4670	C.2	1	noname	0.0494
253	C103   -20.6825    33.7311    51.2676	C.3	1	noname	0.0883
254	C104   -18.7285    32.9793    46.5005	C.3	1	noname	-0.0608
255	C105   -19.2052    30.6657    47.3143	C.3	1	noname	-0.0608
256	C106   -33.3900    56.8918    52.9381	C.3	1	noname	0.0850
257	C107   -32.1240    49.8905    48.4625	C.3	1	noname	-0.0608
258	C108   -33.3489    51.2033    46.7251	C.3	1	noname	-0.0608
259	C109   -33.7024    60.2981    47.7988	C.3	1	noname	-0.0627
260	C110   -33.6273    58.2025    49.1572	C.3	1	noname	-0.0627
261	C111   -40.5621    59.6700    50.4566	C.2	1	noname	-0.0660
262	C112   -35.3880    52.3896    52.0781	C.3	1	noname	-0.0195
263	C113   -25.3429    54.5693    50.6863	C.3	1	noname	-0.0627
264	C114   -27.2803    54.9040    52.2280	C.3	1	noname	-0.0627
265	C115   -33.8385    58.2176    52.4197	C.2	1	noname	0.0492
266	C116   -17.1233    36.9153    46.6855	C.3	1	noname	-0.0650
267	C117   -28.4546    49.8307    52.5249	C.3	1	noname	0.0931
268	C118   -33.9371    54.4823    52.4100	C.2	1	noname	0.0492
269	C119   -22.0339    34.1668    50.6333	C.3	1	noname	-0.0195
270	C120   -28.8356    51.2363    52.2323	C.2	1	noname	0.0495
271	C121   -24.1844    27.9941    58.7255	C.3	1	noname	-0.0201
272	C122   -23.4167    29.2393    58.1365	C.3	1	noname	0.0903
273	C123   -19.5543    31.9796    62.0954	C.3	1	noname	0.0880
274	C124   -20.6531    33.9011    52.7422	C.2	1	noname	0.0493
275	C125   -19.4356    32.2955    63.6104	C.3	1	noname	-0.0265
276	C126   -15.5276    35.2723    50.7742	C.2	1	noname	0.0475
277	C127   -17.6601    23.2077    62.9538	C.3	1	noname	0.0880
278	C128   -28.8023    49.3305    53.9525	C.3	1	noname	0.0113
279	C129   -34.5740    51.1841    52.5943	C.3	1	noname	0.0354
280	C130   -17.6265    21.7491    63.5044	C.3	1	noname	-0.0265
281	C131   -18.3039    33.2554    64.0206	C.3	1	noname	-0.0451
282	C132   -18.3852    35.0012    53.0082	C.3	1	noname	0.0882
283	C133   -31.8479    56.7765    53.0110	C.3	1	noname	-0.0408
284	C134   -24.8418    27.0733    57.6755	C.3	1	noname	-0.0516
285	C135   -18.9292    21.1692    64.0839	C.3	1	noname	-0.0451
286	C136   -16.5703    29.3811    61.6796	C.3	1	noname	0.0882
287	C137   -21.9090    34.2368    49.0951	C.3	1	noname	0.0354
288	C138   -40.0600    60.9917    50.6027	C.2	1	noname	-0.0475
289	C139   -41.5026    59.4448    49.4171	C.2	1	noname	-0.0475
290	C140   -29.1352    45.4871    58.5738	C.3	1	noname	0.0280
291	C141   -15.0066    25.7769    62.0148	C.3	1	noname	0.0918
292	C142   -18.3748    36.5052    52.6116	C.3	1	noname	-0.0206
293	C143   -22.1424    28.7779    57.5143	C.2	1	noname	0.0497
294	C144   -25.2936    28.3657    59.7297	C.3	1	noname	-0.0605
295	C145   -28.0083    44.4041    58.2554	C.3	1	noname	0.0976
296	C146   -20.0589    33.1789    61.2950	C.2	1	noname	0.0493
297	C147   -16.2731    23.6977    62.6755	C.2	1	noname	0.0494
298	C148   -17.9645    29.9344    61.9081	C.2	1	noname	0.0493
299	C149   -16.0661    29.8126    60.2767	C.3	1	noname	-0.0206
300	C150   -14.5960    34.1623    51.1295	C.3	1	noname	0.0674
301	C151   -19.8464    27.8807    58.0551	C.3	1	noname	0.0976
302	C152   -22.1343    34.7350    60.9432	C.3	1	noname	0.0883
303	C153   -28.4591    47.9140    54.1594	C.2	1	noname	-0.0675
304	C154   -14.9826    25.3522    60.5136	C.3	1	noname	-0.0035
305	C155   -15.2285    27.2550    62.1712	C.2	1	noname	0.0495
306	C156   -17.3328    34.8561    54.0651	C.2	1	noname	0.0495
307	C157   -18.3302    33.4563    65.5372	C.3	1	noname	-0.0627
308	C158   -18.5011    34.6034    63.3242	C.3	1	noname	-0.0627
309	C159   -19.7536    24.3940    59.8477	C.3	1	noname	0.1109
310	C160   -40.4027    62.0101    49.6860	C.2	1	noname	-0.0312
311	C161   -41.8669    60.4674    48.5175	C.2	1	noname	-0.0312
312	C162   -23.7667    26.5201    56.7379	C.3	1	noname	-0.0650
313	C163   -26.3430    49.0436    51.4429	C.2	1	noname	0.0505
314	C164   -18.6807    19.7382    64.5651	C.3	1	noname	-0.0627
315	C165   -19.3913    22.0301    65.2613	C.3	1	noname	-0.0627
316	C166   -22.8210    32.1033    56.7208	C.3	1	noname	0.1109
317	C167   -24.0896    31.3212    56.7925	C.2	1	noname	0.0505
318	C168   -18.5263    34.2759    56.2445	C.3	1	noname	0.0976
319	C169   -18.6985    24.3356    60.9000	C.2	1	noname	0.0504
320	C170   -19.4242    37.0721    51.6346	C.3	1	noname	0.0229
321	C171   -23.4277    34.0161    61.4223	C.3	1	noname	-0.0195
322	C172   -24.8740    48.9345    51.5800	C.3	1	noname	0.1109
323	C173   -41.3029    61.7480    48.6385	C.2	1	noname	-0.0019
324	C174   -35.4254    50.0757    53.0485	C.2	1	noname	0.1348
325	C175   -19.6811    26.8530    59.1375	C.2	1	noname	0.0503
326	C176   -14.5407    29.6787    60.0380	C.3	1	noname	0.0229
327	C177   -18.7292    28.9695    57.9631	C.3	1	noname	0.0280
328	C178   -26.6706    44.9154    57.8360	C.2	1	noname	0.0498
329	C179   -22.8967    34.9388    48.2775	C.2	1	noname	0.1348
330	C180   -22.3462    36.2467    60.7615	C.2	1	noname	0.0494
331	C181   -26.0496    41.5507    60.2106	C.3	1	noname	0.0918
332	C182   -13.9050    25.7352    59.5780	C.2	1	noname	-0.0660
333	C183   -24.1145    38.0375    60.0196	C.3	1	noname	0.0960
334	C184   -23.4651    35.8471    55.9573	C.3	1	noname	0.1135
335	C185   -17.9729    33.3049    57.3254	C.3	1	noname	0.0280
336	C186   -19.7359    23.0540    59.0762	C.3	1	noname	0.0675
337	C187   -26.9493    42.2250    59.1774	C.2	1	noname	0.0497
338	C188   -27.3902    47.4048    54.8882	C.2	1	noname	0.0121
339	C189   -19.1717    35.5504    56.7157	C.2	1	noname	0.0499
340	C190   -23.7602    34.2110    62.9239	C.3	1	noname	0.0354
341	C191   -20.1176    37.8002    55.9527	C.3	1	noname	0.0976
342	C192   -22.1023    32.1828    58.0784	C.3	1	noname	0.0675
343	C193   -18.7654    48.1991    52.2079	C.3	1	noname	0.0880
344	C194   -17.3137    47.7671    52.5584	C.3	1	noname	-0.0265
345	C195   -23.5091    34.5428    56.6803	C.2	1	noname	0.0511
346	C196   -24.1189    49.7225    50.4908	C.3	1	noname	0.0675
347	C197   -24.7046    43.8327    56.6282	C.3	1	noname	0.0960
348	C198   -24.9346    42.5962    60.4785	C.3	1	noname	-0.0035
349	C199   -16.1794    48.7801    52.3172	C.3	1	noname	-0.0451
350	C200   -24.1349    35.8302    54.5457	C.3	1	noname	0.0755
351	C201   -24.7950    39.2675    60.6118	C.2	1	noname	0.0496
352	C202   -18.9436    37.4768    50.3029	C.2	1	noname	0.0325
353	C203   -25.1498    37.3705    59.0747	C.3	1	noname	0.0452
354	C204   -21.5876    37.5244    55.8954	C.2	1	noname	0.0504
355	C205   -28.4739    45.7488    54.0373	C.2	1	noname	-0.0518
356	C206   -14.0243    30.0071    58.7001	C.2	1	noname	0.0325
357	C207   -12.5569    25.3455    59.7635	C.2	1	noname	-0.0475
358	C208   -14.2646    26.4314    58.4012	C.2	1	noname	-0.0475
359	C209   -19.3118    47.5255    56.7982	C.3	1	noname	0.0901
360	C210   -19.6730    38.8222    54.8467	C.3	1	noname	0.0280
361	C211   -19.1956    51.8607    53.2336	C.3	1	noname	0.0931
362	C212   -17.8341    47.7441    56.4014	C.3	1	noname	-0.0227
363	C213   -19.6143    46.9580    52.1126	C.2	1	noname	0.0495
364	C214   -21.2922    45.1218    57.8843	C.3	1	noname	0.0918
365	C215   -19.9711    44.4947    52.6249	C.3	1	noname	0.0976
366	C216   -24.5907    43.2441    55.1981	C.3	1	noname	0.0452
367	C217   -23.6093    44.8073    56.8918	C.2	1	noname	0.0496
368	C218   -23.9967    42.2934    61.5767	C.2	1	noname	-0.0660
369	C219   -24.2247    46.7374    52.5607	C.2	1	noname	0.0483
370	C220   -19.6098    50.5293    52.6597	C.2	1	noname	0.0495
371	C221   -22.2040    52.3426    54.1492	C.3	1	noname	0.0882
372	C222   -14.8433    48.1566    52.7259	C.3	1	noname	-0.0627
373	C223   -16.1355    49.1531    50.8340	C.3	1	noname	-0.0627
374	C224   -25.5377    35.1944    54.4715	C.3	1	noname	-0.0369
375	C225   -17.6463    51.9005    53.3551	C.3	1	noname	0.0113
376	C226   -24.8820    33.4435    63.4876	C.2	1	noname	0.1348
377	C227   -23.6731    45.4002    52.3346	C.3	1	noname	0.0766
378	C228   -20.1587    45.1241    56.9224	C.2	1	noname	0.0495
379	C229   -22.6657    48.9596    55.7932	C.3	1	noname	0.0960
380	C230   -21.0623    44.4611    59.2756	C.3	1	noname	-0.0035
381	C231   -11.5851    25.6726    58.7959	C.2	1	noname	-0.0312
382	C232   -13.2924    26.7510    57.4363	C.2	1	noname	-0.0312
383	C233   -19.6679    43.4645    53.7565	C.3	1	noname	0.0280
384	C234   -20.2400    48.6183    56.3723	C.2	1	noname	0.0496
385	C235   -21.4087    44.4201    52.2491	C.2	1	noname	0.0489
386	C236   -20.9606    52.9009    54.7211	C.2	1	noname	0.0494
387	C237   -23.5567    53.0525    54.4655	C.3	1	noname	-0.0206
388	C238   -11.9510    26.3792    57.6349	C.2	1	noname	-0.0019
389	C239   -26.2985    36.6915    59.7072	C.2	1	noname	0.0335
390	C240   -16.9673    46.6608    57.0463	C.3	1	noname	-0.0608
391	C241   -17.3742    49.1206    56.8857	C.3	1	noname	-0.0608
392	C242   -22.3950    49.8882    54.6675	C.2	1	noname	0.0495
393	C243   -17.1043    53.1159    53.9934	C.2	1	noname	-0.0675
394	C244   -23.9307    49.3677    56.6001	C.3	1	noname	0.0452
395	C245   -22.7079    41.7949    61.2758	C.2	1	noname	-0.0475
396	C246   -24.3696    42.4892    62.9265	C.2	1	noname	-0.0475
397	C247   -25.3643    42.0074    54.9454	C.2	1	noname	0.0335
398	C248   -19.8295    44.7121    60.0576	C.2	1	noname	-0.0541
399	C249   -23.7888    54.4802    53.9314	C.3	1	noname	0.0229
400	C250   -21.8148    41.4735    62.3140	C.2	1	noname	-0.0312
401	C251   -23.4646    42.1806    63.9599	C.2	1	noname	-0.0312
402	C252   -17.0312    54.4036    53.4745	C.2	1	noname	0.0121
403	C253   -22.1880    41.6737    63.6551	C.2	1	noname	-0.0019
404	C254   -19.2883    46.0069    60.2036	C.2	1	noname	-0.0567
405	C255   -19.1940    43.6358    60.7231	C.2	1	noname	-0.0567
406	C256   -23.8679    50.4931    57.5487	C.2	1	noname	0.0335
407	C257   -24.9818    55.2151    54.4205	C.2	1	noname	0.0325
408	C258   -16.3435    54.4616    55.5156	C.2	1	noname	-0.0518
409	C259   -18.0576    46.2021    60.8536	C.2	1	noname	-0.0604
410	C260   -18.0224    43.8500    61.4747	C.2	1	noname	-0.0604
411	C261   -17.4315    45.1252    61.5059	C.2	1	noname	-0.0616
412	H1   -21.9044    48.6441    62.2249	H	1	noname	0.0568
413	H2   -22.7376    49.2196    59.8126	H	1	noname	0.0288
414	H3   -21.4864    47.9174    60.1249	H	1	noname	0.0288
415	H4   -24.3645    47.6835    59.3118	H	1	noname	0.0280
416	H5   -22.9625    46.6223    58.9322	H	1	noname	0.0280
417	H6   -24.9016    46.5156    61.1650	H	1	noname	0.0436
418	H7   -23.6563    45.2824    60.8221	H	1	noname	0.0436
419	H8   -21.8940    47.5379    64.2516	H	1	noname	0.0566
420	H9   -20.0360    47.5394    62.6323	H	1	noname	0.0287
421	H10   -19.6118    45.9001    63.0977	H	1	noname	0.0287
422	H11   -25.3110    48.7842    60.7516	H	1	noname	0.1320
423	H12   -19.4463    48.2167    65.0357	H	1	noname	0.0268
424	H13   -18.9481    46.5933    65.3401	H	1	noname	0.0268
425	H14   -20.8806    44.8919    64.9489	H	1	noname	0.1318
426	H15   -25.2359    51.4452    61.2191	H	1	noname	0.0605
427	H16   -17.5726    48.7365    63.8128	H	1	noname	0.0279
428	H17   -17.5119    47.1556    63.0197	H	1	noname	0.0279
429	H18   -26.5091    50.5767    59.1832	H	1	noname	0.0619
430	H19   -23.6937    47.1254    65.6679	H	1	noname	0.0593
431	H20   -16.8266    47.3130    65.9327	H	1	noname	0.0433
432	H21   -16.3085    46.1329    64.7998	H	1	noname	0.0433
433	H22   -22.0758    47.5940    68.2552	H	1	noname	0.0619
434	H23   -27.9668    48.7317    60.5456	H	1	noname	0.0257
435	H24   -29.0450    49.9547    59.8314	H	1	noname	0.0257
436	H25   -28.6623    50.0114    61.5688	H	1	noname	0.0257
437	H26   -24.3021    46.5526    68.2890	H	1	noname	0.1319
438	H27   -26.9234    52.7125    60.2522	H	1	noname	0.2105
439	H28   -15.2532    48.3445    63.7610	H	1	noname	0.1334
440	H29   -20.8195    48.3603    66.2438	H	1	noname	0.0257
441	H30   -22.1992    49.4010    65.8179	H	1	noname	0.0257
442	H31   -21.3022    49.6864    67.3286	H	1	noname	0.0257
443	H32   -26.1613    45.6174    68.8092	H	1	noname	0.0569
444	H33   -27.0906    52.5454    63.9388	H	1	noname	0.2213
445	H34   -24.1761    49.1507    67.0867	H	1	noname	0.2105
446	H35   -25.6004    42.6909    68.1998	H	1	noname	0.0337
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460	H49   -10.9247    50.2383    64.2451	H	1	noname	0.0590
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463	H52   -27.2877    47.2659    65.4115	H	1	noname	0.0625
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466	H55   -34.4708    43.6662    67.5170	H	1	noname	0.1318
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468	H57   -29.2157    46.4544    61.0550	H	1	noname	0.0622
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480	H69   -35.5321    40.7872    72.8279	H	1	noname	0.0622
481	H70   -35.0747    47.9410    67.0115	H	1	noname	0.1316
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490	H79   -33.9930    50.9293    64.1758	H	1	noname	0.0566
491	H80   -34.3829    53.3236    64.5403	H	1	noname	0.0293
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495	H84   -36.7987    53.4898    63.6916	H	1	noname	0.0373
496	H85   -36.2565    53.2140    62.1116	H	1	noname	0.0373
497	H86   -36.0225    50.1622    60.1409	H	1	noname	0.0529
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499	H88   -42.4776    48.9568    61.5389	H	1	noname	0.1267
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501	H90   -44.2821    50.7054    63.7443	H	1	noname	0.1898
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511	H100   -31.3609    50.0960    57.9286	H	1	noname	0.0410
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513	H102   -40.5917    56.7943    55.9646	H	1	noname	0.0298
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515	H104   -14.5155    35.1359    47.9739	H	1	noname	0.0321
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517	H106   -37.2597    57.4910    54.0812	H	1	noname	0.1318
518	H107   -39.1195    59.3574    52.9649	H	1	noname	0.0569
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520	H109   -19.0313    33.5715    49.0722	H	1	noname	0.0569
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522	H111   -35.3430    56.1084    57.3113	H	1	noname	0.0234
523	H112   -33.6734    55.9270    56.7215	H	1	noname	0.0234
524	H113   -35.0401    54.3371    59.7976	H	1	noname	0.0234
525	H114   -36.4001    54.2831    58.6505	H	1	noname	0.0234
526	H115   -35.4836    52.8013    59.0147	H	1	noname	0.0234
527	H116   -32.2750    53.3081    48.0715	H	1	noname	0.0569
528	H117   -35.3304    61.1400    49.7698	H	1	noname	0.0290
529	H118   -33.8360    60.4947    50.4714	H	1	noname	0.0290
530	H119   -29.4315    53.6276    51.2251	H	1	noname	0.0566
531	H120   -20.4909    32.3735    47.5811	H	1	noname	0.0318
532	H121   -27.7705    54.5643    49.5173	H	1	noname	0.0290
533	H122   -27.0991    52.9845    49.3733	H	1	noname	0.0290
534	H123   -31.2310    51.3055    47.1057	H	1	noname	0.0318
535	H124   -35.4042    59.0824    48.3153	H	1	noname	0.0298
536	H125   -26.3770    53.0075    51.7503	H	1	noname	0.0298
537	H126   -15.6360    37.2221    48.2134	H	1	noname	0.0267
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539	H128   -42.1509    55.5726    57.4562	H	1	noname	0.0233
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542	H131   -40.3556    57.0165    58.4229	H	1	noname	0.0233
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544	H133   -38.7728    57.1284    57.6164	H	1	noname	0.0233
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549	H138   -31.2966    51.9934    50.4352	H	1	noname	0.1319
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683	H272   -19.6419    22.2293    59.7826	H	1	noname	0.0585
684	H273   -18.8387    23.0306    58.4577	H	1	noname	0.0585
685	H274   -26.6940    47.9467    55.4047	H	1	noname	0.0856
686	H275   -22.4852    33.5613    55.2932	H	1	noname	0.1319
687	H276   -23.9061    35.2715    63.1291	H	1	noname	0.0373
688	H277   -22.8955    33.9280    63.5242	H	1	noname	0.0373
689	H278   -24.2687    36.4625    61.3693	H	1	noname	0.1319
690	H279   -19.8892    38.2450    56.9229	H	1	noname	0.0575
691	H280   -22.7418    32.6930    58.7987	H	1	noname	0.0585
692	H281   -21.9209    31.1754    58.4529	H	1	noname	0.0585
693	H282   -18.7120    48.5980    51.1863	H	1	noname	0.0566
694	H283   -12.7954    33.3211    50.6010	H	1	noname	0.1188
695	H284   -13.6410    33.9725    49.3181	H	1	noname	0.1188
696	H285   -17.2772    47.4199    53.5909	H	1	noname	0.0290
697	H286   -17.0824    46.9215    51.9107	H	1	noname	0.0290
698	H287   -24.4748    49.4151    49.5074	H	1	noname	0.0585
699	H288   -23.0541    49.5112    50.5891	H	1	noname	0.0585
700	H289   -26.7092    43.7994    56.2307	H	1	noname	0.1319
701	H290   -24.5458    43.0026    57.3234	H	1	noname	0.0571
702	H291   -25.3860    43.5742    60.6455	H	1	noname	0.0337
703	H292   -24.3738    42.6196    59.5441	H	1	noname	0.0337
704	H293   -16.3594    49.6756    52.9119	H	1	noname	0.0298
705	H294   -23.4914    35.3058    53.8389	H	1	noname	0.0619
706	H295   -25.3619    40.1168    58.8634	H	1	noname	0.1319
707	H296   -18.9123    36.4549    54.9670	H	1	noname	0.1319
708	H297   -24.2981    47.2011    50.6189	H	1	noname	0.1319
709	H298   -21.4361    35.5259    55.8006	H	1	noname	0.1319
710	H299   -25.5128    38.1058    58.3565	H	1	noname	0.0382
711	H300   -24.6074    36.5817    58.5535	H	1	noname	0.0382
712	H301   -28.7557    44.7989    53.7931	H	1	noname	0.1013
713	H302   -12.2684    24.8099    60.5875	H	1	noname	0.0626
714	H303   -15.2368    26.7030    58.2198	H	1	noname	0.0626
715	H304   -19.3023    47.5236    57.8765	H	1	noname	0.0569
716	H305   -20.1381    38.5556    53.8977	H	1	noname	0.0410
717	H306   -18.5965    38.7215    54.7090	H	1	noname	0.0410
718	H307   -19.4316    52.6255    52.4857	H	1	noname	0.0570
719	H308   -18.8486    49.2314    54.0081	H	1	noname	0.1318
720	H309   -17.7371    47.6893    55.3171	H	1	noname	0.0318
721	H310   -21.5845    46.1451    58.0601	H	1	noname	0.0569
722	H311   -19.3713    44.1797    51.7657	H	1	noname	0.0575
723	H312   -24.8720    44.0040    54.4690	H	1	noname	0.0382
724	H313   -23.5383    42.9769    55.1021	H	1	noname	0.0382
725	H314   -41.1493    63.5443    47.9800	H	1	noname	0.2181
726	H315   -36.7986    48.6669    52.5465	H	1	noname	0.2213
727	H316   -22.1165    52.1310    53.0815	H	1	noname	0.0566
728	H317   -18.9573    45.9449    53.7278	H	1	noname	0.1319
729	H318   -14.0403    48.8736    52.5552	H	1	noname	0.0233
730	H319   -14.8745    47.8908    53.7826	H	1	noname	0.0233
731	H320   -14.6632    47.2610    52.1312	H	1	noname	0.0233
732	H321   -15.3326    49.8702    50.6632	H	1	noname	0.0233
733	H322   -17.0874    49.5973    50.5428	H	1	noname	0.0233
734	H323   -15.9555    48.2576    50.2393	H	1	noname	0.0233
735	H324   -25.4875    34.1621    54.8177	H	1	noname	0.0257
736	H325   -26.2253    35.7566    55.1035	H	1	noname	0.0257
737	H326   -25.8920    35.2152    53.4409	H	1	noname	0.0257
738	H327   -22.2597    43.3930    57.3201	H	1	noname	0.1319
739	H328   -23.3072    35.3339    46.3182	H	1	noname	0.2213
740	H329   -17.3018    51.0204    53.8981	H	1	noname	0.0351
741	H330   -17.2956    51.8524    52.3242	H	1	noname	0.0351
742	H331   -19.2476    46.0231    55.3985	H	1	noname	0.1319
743	H332   -24.2729    44.6643    52.8702	H	1	noname	0.0529
744	H333   -23.6596    45.1390    51.2764	H	1	noname	0.0529
745	H334   -22.9744    48.0349    55.3249	H	1	noname	0.0571
746	H335   -21.9342    44.6313    59.9072	H	1	noname	0.0337
747	H336   -21.0586    43.3806    59.1317	H	1	noname	0.0337
748	H337   -10.6116    25.3897    58.9332	H	1	noname	0.0650
749	H338   -13.5658    27.2522    56.5880	H	1	noname	0.0650
750	H339   -20.3073    43.6693    54.6151	H	1	noname	0.0410
751	H340   -18.6431    43.6327    54.0877	H	1	noname	0.0410
752	H341   -19.0900    52.5022    55.1893	H	1	noname	0.1319
753	H342   -20.8120    21.9901    57.8029	H	1	noname	0.2101
754	H343   -24.3836    52.4114    54.1600	H	1	noname	0.0292
755	H344   -23.6283    53.1512    55.5487	H	1	noname	0.0292
756	H345   -21.0898    33.8015    57.6135	H	1	noname	0.2101
757	H346   -21.8186    47.8284    57.2705	H	1	noname	0.1319
758	H347   -15.9251    46.8149    56.7664	H	1	noname	0.0234
759	H348   -17.2949    45.6801    56.7012	H	1	noname	0.0234
760	H349   -17.0642    46.7155    58.1306	H	1	noname	0.0234
761	H350   -16.3321    49.2748    56.6058	H	1	noname	0.0234
762	H351   -17.9918    49.8924    56.4262	H	1	noname	0.0234
763	H352   -17.4712    49.1754    57.9699	H	1	noname	0.0234
764	H353   -22.0049    45.9300    53.4380	H	1	noname	0.1316
765	H354   -17.3792    38.6492    50.8349	H	1	noname	0.1271
766	H355   -17.5948    38.4675    49.1854	H	1	noname	0.1271
767	H356   -22.1503    51.3653    55.9166	H	1	noname	0.1318
768	H357   -23.7752    51.5848    49.9194	H	1	noname	0.2101
769	H358   -15.7360    30.5791    57.8392	H	1	noname	0.1271
770	H359   -14.4028    30.6760    56.8305	H	1	noname	0.1271
771	H360   -24.8675    37.6613    54.7028	H	1	noname	0.2105
772	H361   -24.7661    49.5155    55.9158	H	1	noname	0.0382
773	H362   -24.1617    48.5078    57.2288	H	1	noname	0.0382
774	H363   -22.4088    41.6444    60.3066	H	1	noname	0.0626
775	H364   -25.2934    42.8581    63.1730	H	1	noname	0.0626
776	H365   -23.7935    54.4641    52.8415	H	1	noname	0.0361
777	H366   -22.9386    55.1087    54.1963	H	1	noname	0.0361
778	H367   -20.8938    41.0903    62.0913	H	1	noname	0.0650
779	H368   -23.7359    42.3265    64.9342	H	1	noname	0.0650
780	H369   -25.7619    32.9613    65.2586	H	1	noname	0.2213
781	H370   -27.1494    38.3163    60.5562	H	1	noname	0.1271
782	H371   -27.9610    36.8736    60.8280	H	1	noname	0.1271
783	H372   -16.6181    52.4486    55.8836	H	1	noname	0.1534
784	H373   -17.3040    54.6923    52.5330	H	1	noname	0.0856
785	H374   -19.7855    46.8220    59.8507	H	1	noname	0.0625
786	H375   -19.5771    42.6877    60.6840	H	1	noname	0.0625
787	H376   -10.1430    26.3638    56.9955	H	1	noname	0.2181
788	H377   -27.2424    42.7657    55.0625	H	1	noname	0.1271
789	H378   -27.1706    41.1194    54.7750	H	1	noname	0.1271
790	H379   -15.9955    54.8049    56.4119	H	1	noname	0.1013
791	H380   -17.6341    47.1325    60.8740	H	1	noname	0.0622
792	H381   -17.5968    43.0783    61.9946	H	1	noname	0.0622
793	H382   -16.5578    45.2737    62.0151	H	1	noname	0.0622
794	H383   -24.4159    49.3771    59.0932	H	1	noname	0.1271
795	H384   -24.0614    50.9683    59.4802	H	1	noname	0.1271
796	H385   -25.7375    53.9585    55.8288	H	1	noname	0.1271
797	H386   -26.6056    55.3740    55.6098	H	1	noname	0.1271
798	H387   -21.7347    41.5769    65.5152	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	221	1
3	2	290	1
4	3	4	1
5	3	327	1
6	4	335	1
7	5	6	1
8	5	360	1
9	6	383	1
10	7	155	2
11	8	157	2
12	163	9	1
13	9	438	1
14	10	162	2
15	11	166	1
16	11	444	1
17	167	12	1
18	12	445	1
19	13	166	2
20	14	170	2
21	15	173	1
22	15	180	1
23	16	173	2
24	17	175	2
25	18	183	1
26	18	195	1
27	19	185	1
28	19	467	1
29	20	186	2
30	21	196	2
31	22	203	2
32	23	207	2
33	24	212	2
34	25	214	1
35	25	503	1
36	26	214	2
37	27	216	2
38	28	223	2
39	29	225	2
40	30	237	2
41	31	246	2
42	32	247	2
43	33	248	2
44	34	251	2
45	35	252	2
46	36	265	2
47	37	268	2
48	38	270	2
49	39	274	2
50	40	276	2
51	41	293	2
52	42	296	2
53	43	297	2
54	44	298	2
55	45	305	2
56	46	306	2
57	47	323	1
58	47	725	1
59	48	324	1
60	48	726	1
61	49	313	2
62	50	317	2
63	51	319	2
64	52	329	1
65	52	739	1
66	53	324	2
67	54	325	2
68	55	329	2
69	56	336	1
70	56	753	1
71	57	328	2
72	58	330	2
73	59	342	1
74	59	756	1
75	60	346	1
76	60	768	1
77	61	337	2
78	350	62	1
79	62	771	1
80	63	339	2
81	64	345	2
82	65	351	2
83	66	352	2
84	67	354	2
85	68	356	2
86	69	363	2
87	70	376	1
88	70	780	1
89	71	367	2
90	72	369	2
91	73	370	2
92	74	376	2
93	75	388	1
94	75	787	1
95	76	378	2
96	77	384	2
97	78	385	2
98	79	386	2
99	80	389	2
100	81	392	2
101	82	397	2
102	83	403	1
103	83	798	1
104	84	406	2
105	85	407	2
106	86	151	1
107	86	154	1
108	86	155	1
109	87	157	1
110	160	87	1
111	87	422	1
112	156	88	1
113	88	162	1
114	88	425	1
115	164	89	1
116	89	170	1
117	89	437	1
118	90	165	1
119	90	173	1
120	90	439	1
121	171	91	1
122	91	175	1
123	91	448	1
124	176	92	1
125	92	186	1
126	92	456	1
127	187	93	1
128	93	196	1
129	93	466	1
130	94	199	1
131	94	203	1
132	94	481	1
133	204	95	1
134	95	207	1
135	95	485	1
136	96	208	1
137	96	213	1
138	96	493	1
139	209	97	1
140	97	212	1
141	97	494	1
142	98	213	1
143	98	499	1
144	98	500	1
145	99	213	2
146	99	501	1
147	100	215	1
148	100	216	1
149	100	502	1
150	101	217	1
151	101	223	1
152	101	508	1
153	102	218	1
154	102	225	1
155	102	514	1
156	103	219	1
157	103	237	1
158	103	517	1
159	104	228	1
160	104	247	1
161	104	547	1
162	230	105	1
163	105	246	1
164	105	548	1
165	106	233	1
166	106	248	1
167	106	549	1
168	107	229	1
169	107	265	1
170	107	554	1
171	227	108	1
172	108	276	1
173	108	555	1
174	109	235	1
175	109	270	1
176	109	556	1
177	110	250	1
178	110	252	1
179	110	564	1
180	111	251	1
181	253	111	1
182	111	578	1
183	112	256	1
184	112	268	1
185	112	594	1
186	113	274	1
187	282	113	1
188	113	617	1
189	114	267	1
190	114	313	1
191	114	623	1
192	115	273	1
193	115	298	1
194	115	624	1
195	116	272	1
196	116	317	1
197	116	631	1
198	117	277	1
199	117	319	1
200	117	638	1
201	118	291	1
202	118	297	1
203	118	639	1
204	119	286	1
205	119	305	1
206	119	640	1
207	120	293	1
208	120	301	1
209	120	643	1
210	121	296	1
211	121	302	1
212	121	651	1
213	122	306	1
214	318	122	1
215	122	670	1
216	123	295	1
217	123	337	1
218	123	675	1
219	124	309	1
220	124	325	1
221	124	676	1
222	125	303	1
223	125	355	1
224	125	682	1
225	126	316	1
226	126	345	1
227	126	686	1
228	127	330	1
229	127	333	1
230	127	689	1
231	128	300	1
232	128	694	1
233	128	695	1
234	129	328	1
235	129	347	1
236	129	700	1
237	130	331	1
238	130	351	1
239	130	706	1
240	131	339	1
241	131	341	1
242	131	707	1
243	132	322	1
244	132	369	1
245	132	708	1
246	133	334	1
247	133	354	1
248	133	709	1
249	134	338	1
250	134	355	2
251	135	343	1
252	135	370	1
253	135	719	1
254	136	363	1
255	136	365	1
256	136	728	1
257	137	364	1
258	137	367	1
259	137	738	1
260	138	359	1
261	138	378	1
262	138	742	1
263	139	361	1
264	139	386	1
265	139	752	1
266	140	379	1
267	140	384	1
268	140	757	1
269	141	377	1
270	141	385	1
271	141	764	1
272	142	352	1
273	142	765	1
274	142	766	1
275	143	371	1
276	143	392	1
277	143	767	1
278	144	356	1
279	144	769	1
280	144	770	1
281	145	389	1
282	145	781	1
283	145	782	1
284	146	393	1
285	146	408	1
286	146	783	1
287	147	397	1
288	147	788	1
289	147	789	1
290	148	402	1
291	148	408	2
292	149	406	1
293	149	794	1
294	149	795	1
295	150	407	1
296	150	796	1
297	150	797	1
298	151	152	1
299	151	157	1
300	151	412	1
301	152	153	1
302	152	413	1
303	152	414	1
304	153	154	1
305	153	415	1
306	153	416	1
307	154	417	1
308	154	418	1
309	155	156	1
310	156	158	1
311	156	419	1
312	158	159	1
313	158	420	1
314	158	421	1
315	159	161	1
316	159	423	1
317	159	424	1
318	160	163	1
319	160	166	1
320	160	426	1
321	161	165	1
322	161	427	1
323	161	428	1
324	162	164	1
325	163	168	1
326	163	429	1
327	164	167	1
328	164	430	1
329	165	431	1
330	165	432	1
331	167	169	1
332	167	433	1
333	168	434	1
334	168	435	1
335	168	436	1
336	169	440	1
337	169	441	1
338	169	442	1
339	170	171	1
340	171	172	1
341	171	443	1
342	172	174	1
343	172	446	1
344	172	447	1
345	174	177	2
346	174	178	1
347	175	176	1
348	176	179	1
349	176	449	1
350	177	181	1
351	177	450	1
352	178	182	2
353	178	451	1
354	179	184	1
355	179	452	1
356	179	453	1
357	180	183	1
358	180	454	1
359	180	455	1
360	181	185	2
361	181	457	1
362	182	185	1
363	182	458	1
364	183	459	1
365	183	460	1
366	184	188	2
367	184	189	1
368	186	187	1
369	187	190	1
370	187	461	1
371	188	191	1
372	188	462	1
373	189	192	2
374	189	463	1
375	190	193	1
376	190	464	1
377	190	465	1
378	191	194	2
379	191	468	1
380	192	194	1
381	192	469	1
382	193	197	2
383	193	198	1
384	194	470	1
385	195	471	1
386	195	472	1
387	195	473	1
388	196	199	1
389	197	200	1
390	197	474	1
391	198	201	2
392	198	475	1
393	199	476	1
394	199	477	1
395	200	202	2
396	200	478	1
397	201	202	1
398	201	479	1
399	202	480	1
400	203	204	1
401	204	205	1
402	204	482	1
403	205	206	1
404	205	483	1
405	205	484	1
406	206	208	1
407	206	486	1
408	206	487	1
409	207	209	1
410	208	488	1
411	208	489	1
412	209	210	1
413	209	490	1
414	210	211	1
415	210	491	1
416	210	492	1
417	211	214	1
418	211	495	1
419	211	496	1
420	212	215	1
421	215	497	1
422	215	498	1
423	217	216	1
424	217	221	1
425	217	504	1
426	218	220	1
427	218	223	1
428	218	505	1
429	219	222	1
430	219	225	1
431	219	506	1
432	220	231	1
433	220	232	1
434	220	507	1
435	221	511	1
436	221	512	1
437	222	224	1
438	222	509	1
439	222	510	1
440	224	243	1
441	224	244	1
442	224	513	1
443	226	227	1
444	226	242	1
445	226	249	1
446	226	515	1
447	227	246	1
448	227	516	1
449	228	237	1
450	228	245	1
451	228	518	1
452	229	234	1
453	229	247	1
454	229	519	1
455	230	236	1
456	230	251	1
457	230	520	1
458	231	521	1
459	231	522	1
460	231	523	1
461	232	524	1
462	232	525	1
463	232	526	1
464	233	239	1
465	233	252	1
466	233	527	1
467	234	240	1
468	234	528	1
469	234	529	1
470	235	238	1
471	235	248	1
472	235	530	1
473	236	254	1
474	236	255	1
475	236	531	1
476	238	241	1
477	238	532	1
478	238	533	1
479	239	257	1
480	239	258	1
481	239	534	1
482	240	259	1
483	240	260	1
484	240	535	1
485	241	263	1
486	241	264	1
487	241	536	1
488	242	266	1
489	242	537	1
490	242	538	1
491	243	539	1
492	243	540	1
493	243	541	1
494	244	542	1
495	244	543	1
496	244	544	1
497	245	261	1
498	245	545	1
499	245	546	1
500	249	550	1
501	249	551	1
502	249	552	1
503	250	262	1
504	250	268	1
505	250	553	1
506	253	269	1
507	253	274	1
508	253	557	1
509	254	558	1
510	254	559	1
511	254	560	1
512	255	561	1
513	255	562	1
514	255	563	1
515	256	265	1
516	256	283	1
517	256	565	1
518	257	569	1
519	257	570	1
520	257	571	1
521	258	566	1
522	258	567	1
523	258	568	1
524	259	575	1
525	259	576	1
526	259	577	1
527	260	572	1
528	260	573	1
529	260	574	1
530	261	288	2
531	261	289	1
532	262	279	1
533	262	579	1
534	262	580	1
535	263	581	1
536	263	582	1
537	263	583	1
538	264	584	1
539	264	585	1
540	264	586	1
541	266	587	1
542	266	588	1
543	266	589	1
544	267	270	1
545	267	278	1
546	267	590	1
547	269	287	1
548	269	591	1
549	269	592	1
550	271	272	1
551	271	284	1
552	271	294	1
553	271	593	1
554	272	293	1
555	272	595	1
556	273	275	1
557	273	296	1
558	273	596	1
559	275	281	1
560	275	597	1
561	275	598	1
562	276	300	1
563	277	280	1
564	277	297	1
565	277	599	1
566	278	303	1
567	278	600	1
568	278	601	1
569	279	324	1
570	279	602	1
571	279	603	1
572	280	285	1
573	280	604	1
574	280	605	1
575	281	307	1
576	281	308	1
577	281	606	1
578	282	292	1
579	282	306	1
580	282	607	1
581	283	608	1
582	283	609	1
583	283	610	1
584	284	312	1
585	284	611	1
586	284	612	1
587	285	314	1
588	285	315	1
589	285	613	1
590	286	298	1
591	286	299	1
592	286	614	1
593	287	329	1
594	287	615	1
595	287	616	1
596	288	310	1
597	288	618	1
598	289	311	2
599	289	619	1
600	290	295	1
601	290	620	1
602	290	621	1
603	291	304	1
604	291	305	1
605	291	622	1
606	292	320	1
607	292	625	1
608	292	626	1
609	294	627	1
610	294	628	1
611	294	629	1
612	295	328	1
613	295	630	1
614	299	326	1
615	299	632	1
616	299	633	1
617	300	634	1
618	300	635	1
619	301	325	1
620	301	327	1
621	301	636	1
622	302	321	1
623	302	330	1
624	302	637	1
625	303	338	2
626	304	332	1
627	304	641	1
628	304	642	1
629	307	647	1
630	307	648	1
631	307	649	1
632	308	644	1
633	308	645	1
634	308	646	1
635	309	319	1
636	309	336	1
637	309	650	1
638	310	323	2
639	310	652	1
640	311	323	1
641	311	653	1
642	312	654	1
643	312	655	1
644	312	656	1
645	313	322	1
646	314	660	1
647	314	661	1
648	314	662	1
649	315	657	1
650	315	658	1
651	315	659	1
652	316	317	1
653	316	342	1
654	316	663	1
655	318	335	1
656	318	339	1
657	318	664	1
658	320	352	1
659	320	665	1
660	320	666	1
661	321	340	1
662	321	667	1
663	321	668	1
664	322	346	1
665	322	669	1
666	326	356	1
667	326	671	1
668	326	672	1
669	327	673	1
670	327	674	1
671	331	337	1
672	331	348	1
673	331	677	1
674	332	357	2
675	332	358	1
676	333	351	1
677	333	353	1
678	333	678	1
679	334	345	1
680	334	350	1
681	334	679	1
682	335	680	1
683	335	681	1
684	336	683	1
685	336	684	1
686	338	685	1
687	340	376	1
688	340	687	1
689	340	688	1
690	341	354	1
691	341	360	1
692	341	690	1
693	342	691	1
694	342	692	1
695	343	344	1
696	343	363	1
697	343	693	1
698	344	349	1
699	344	696	1
700	344	697	1
701	346	698	1
702	346	699	1
703	347	366	1
704	347	367	1
705	347	701	1
706	348	368	1
707	348	702	1
708	348	703	1
709	349	372	1
710	349	373	1
711	349	704	1
712	350	374	1
713	350	705	1
714	353	389	1
715	353	710	1
716	353	711	1
717	355	712	1
718	357	381	1
719	357	713	1
720	358	382	2
721	358	714	1
722	359	362	1
723	359	384	1
724	359	715	1
725	360	716	1
726	360	717	1
727	361	370	1
728	361	375	1
729	361	718	1
730	362	390	1
731	362	391	1
732	362	720	1
733	364	378	1
734	364	380	1
735	364	721	1
736	365	383	1
737	365	385	1
738	365	722	1
739	366	397	1
740	366	723	1
741	366	724	1
742	368	395	2
743	368	396	1
744	369	377	1
745	371	386	1
746	371	387	1
747	371	727	1
748	372	729	1
749	372	730	1
750	372	731	1
751	373	732	1
752	373	733	1
753	373	734	1
754	374	735	1
755	374	736	1
756	374	737	1
757	375	393	1
758	375	740	1
759	375	741	1
760	377	743	1
761	377	744	1
762	379	392	1
763	379	394	1
764	379	745	1
765	380	398	1
766	380	746	1
767	380	747	1
768	381	388	2
769	381	748	1
770	382	388	1
771	382	749	1
772	383	750	1
773	383	751	1
774	387	399	1
775	387	754	1
776	387	755	1
777	390	758	1
778	390	759	1
779	390	760	1
780	391	761	1
781	391	762	1
782	391	763	1
783	393	402	2
784	394	406	1
785	394	772	1
786	394	773	1
787	395	400	1
788	395	774	1
789	396	401	2
790	396	775	1
791	398	404	2
792	398	405	1
793	399	407	1
794	399	776	1
795	399	777	1
796	400	403	2
797	400	778	1
798	401	403	1
799	401	779	1
800	402	784	1
801	404	409	1
802	404	785	1
803	405	410	2
804	405	786	1
805	408	790	1
806	409	411	2
807	409	791	1
808	410	411	1
809	410	792	1
810	411	793	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
