@<TRIPOS>MOLECULE
118984463
821 832 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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215	C62   -73.2931    33.4946  -213.8016	C.3	1	noname	0.0883
216	C63   -72.5100    34.8045  -213.4140	C.3	1	noname	-0.0195
217	C64   -80.1280    20.6102  -191.8954	C.3	1	noname	0.0702
218	C65   -73.2965    35.8740  -212.5987	C.3	1	noname	0.0354
219	C66   -79.3927    19.8832  -190.7489	C.3	1	noname	0.0697
220	C67   -74.9978    32.1324  -212.5023	C.2	1	noname	0.0477
221	C68   -72.0675    33.2990  -220.8120	C.2	1	noname	-0.1456
222	C69   -72.5255    37.0879  -212.2440	C.2	1	noname	0.1348
223	C70   -75.3448    31.6455  -211.1465	C.3	1	noname	0.0766
224	C71   -79.6452    18.0011  -189.2278	C.3	1	noname	0.0357
225	C72   -76.2298    32.5610  -209.0008	C.2	1	noname	0.0489
226	C73   -76.8256    33.7089  -208.2443	C.3	1	noname	0.0976
227	C74   -78.0561    33.2817  -207.3563	C.3	1	noname	0.0280
228	C75   -74.1339    36.3560  -207.2680	C.3	1	noname	0.0901
229	C76   -74.7249    35.1408  -207.9314	C.2	1	noname	0.0497
230	C77   -74.8045    37.6535  -207.8833	C.3	1	noname	-0.0227
231	C78   -70.4311    37.6274  -206.7600	C.3	1	noname	0.0880
232	C79   -69.7320    38.1421  -205.4344	C.3	1	noname	-0.0265
233	C80   -71.8035    37.0232  -206.4800	C.2	1	noname	0.0494
234	C81   -74.3181    38.9890  -207.2412	C.3	1	noname	-0.0608
235	C82   -76.3673    37.6507  -207.9053	C.3	1	noname	-0.0608
236	C83   -68.4009    38.9726  -205.4828	C.3	1	noname	-0.0451
237	C84   -67.4678    36.0149  -208.7098	C.3	1	noname	0.0918
238	C85   -68.4672    37.0544  -208.2729	C.2	1	noname	0.0495
239	C86   -67.7920    39.1280  -204.0546	C.3	1	noname	-0.0627
240	C87   -68.5984    40.3709  -206.1321	C.3	1	noname	-0.0627
241	C88   -69.6839    33.2723  -207.6113	C.3	1	noname	0.0880
242	C89   -99.2819    15.1297  -196.5798	C.3	1	noname	-0.0201
243	C90   -98.5556    16.4849  -196.9424	C.3	1	noname	0.0903
244	C91   -69.9339    32.1262  -208.6227	C.3	1	noname	-0.0265
245	C92   -66.7517    36.3662  -210.0599	C.3	1	noname	-0.0035
246	C93   -97.4088    19.4083  -196.4164	C.3	1	noname	0.0901
247	C94   -71.3791    32.0347  -209.1878	C.3	1	noname	-0.0451
248	C95   -76.3420    32.6200  -201.8524	C.3	1	noname	0.0901
249	C96   -97.3798    20.6583  -195.4487	C.3	1	noname	-0.0227
250	C97   -79.8353    33.7849  -202.8190	C.3	1	noname	0.0880
251	C98   -68.3267    33.8692  -207.7719	C.2	1	noname	0.0494
252	C99   -80.4648    34.4294  -204.0881	C.3	1	noname	-0.0265
253	C100   -75.6039    32.9067  -200.5001	C.3	1	noname	-0.0227
254	C101   -98.3186    13.8926  -196.4165	C.3	1	noname	-0.0516
255	C102   -80.9218    30.1894  -206.4285	C.3	1	noname	0.0280
256	C103   -79.7807    35.7097  -204.6756	C.3	1	noname	-0.0451
257	C104   -99.3236    17.7568  -196.7313	C.2	1	noname	0.0495
258	C105  -100.4234    14.7660  -197.5803	C.3	1	noname	-0.0605
259	C106   -78.4932    33.1764  -202.9815	C.2	1	noname	0.0494
260	C107   -82.3299    29.4898  -206.4344	C.3	1	noname	0.0976
261	C108   -65.7174    35.4106  -210.5645	C.2	1	noname	-0.0660
262	C109   -74.4866    31.9229  -205.0421	C.3	1	noname	0.0883
263	C110   -96.7859    19.7050  -197.7494	C.2	1	noname	0.0494
264	C111   -75.5202    32.9208  -203.0402	C.2	1	noname	0.0494
265	C112   -94.8804    18.0363  -197.8411	C.3	1	noname	0.0883
266	C113   -71.7281    33.1926  -210.1470	C.3	1	noname	-0.0627
267	C114   -72.4668    31.8300  -208.0658	C.3	1	noname	-0.0627
268	C115   -71.1179    33.5917  -204.0825	C.3	1	noname	0.0850
269	C116   -98.0174    20.3596  -194.0581	C.3	1	noname	-0.0608
270	C117   -95.9607    21.2651  -195.2565	C.3	1	noname	-0.0608
271	C118   -70.2161    33.8205  -205.2457	C.2	1	noname	0.0492
272	C119   -76.5127    32.5413  -199.2918	C.3	1	noname	-0.0608
273	C120   -74.2314    32.1740  -200.3900	C.3	1	noname	-0.0608
274	C121   -97.2246    13.9623  -195.3166	C.3	1	noname	-0.0650
275	C122   -74.8238    30.5953  -205.8076	C.3	1	noname	-0.0195
276	C123   -80.5025    36.1438  -205.9850	C.3	1	noname	-0.0627
277	C124   -79.7162    36.8962  -203.6747	C.3	1	noname	-0.0627
278	C125   -73.0384    32.1285  -204.7250	C.2	1	noname	0.0492
279	C126   -94.0146    17.3495  -198.9534	C.3	1	noname	-0.0195
280	C127   -81.1371    30.8668  -200.7698	C.3	1	noname	0.0933
281	C128   -80.5415    32.1696  -201.1029	C.2	1	noname	0.0495
282	C129   -88.5366    19.8829  -208.9638	C.3	1	noname	-0.0201
283	C130   -88.8641    20.1659  -207.4404	C.3	1	noname	0.0903
284	C131   -65.8579    34.7813  -211.8270	C.2	1	noname	-0.0475
285	C132   -64.5222    35.1848  -209.8385	C.2	1	noname	-0.0475
286	C133   -94.1348    18.5010  -196.6471	C.2	1	noname	0.0493
287	C134   -88.2370    28.5712  -202.0187	C.3	1	noname	0.0880
288	C135   -82.1727    28.0172  -206.6717	C.2	1	noname	0.0501
289	C136   -98.2032    17.0305  -199.4033	C.2	1	noname	0.0475
290	C137   -86.9742    27.6428  -202.1269	C.3	1	noname	-0.0265
291	C138   -71.1109    34.7549  -203.0501	C.3	1	noname	-0.0408
292	C139   -94.1257    26.2914  -203.9233	C.3	1	noname	0.0880
293	C140   -76.2572    29.9811  -205.7269	C.3	1	noname	0.0354
294	C141   -92.3683    20.1489  -197.4989	C.3	1	noname	0.0882
295	C142   -95.3033    25.4638  -204.5504	C.3	1	noname	-0.0265
296	C143   -87.0452    26.1247  -201.7954	C.3	1	noname	-0.0451
297	C144   -82.6316    31.0433  -200.3932	C.3	1	noname	0.0153
298	C145   -88.9166    21.0537  -209.9390	C.3	1	noname	-0.0516
299	C146   -93.7438    15.8208  -198.8523	C.3	1	noname	0.0354
300	C147   -95.0924    24.9959  -206.0292	C.3	1	noname	-0.0451
301	C148   -90.5515    27.8608  -198.9908	C.3	1	noname	0.0882
302	C149   -93.7992    28.5450  -200.8455	C.3	1	noname	0.0918
303	C150   -84.3461    30.0891  -205.0299	C.2	1	noname	0.0497
304	C151   -84.8523    31.3868  -205.5338	C.3	1	noname	0.0918
305	C152   -91.1804    20.6620  -196.5930	C.3	1	noname	-0.0206
306	C153   -90.3136    20.3937  -207.1453	C.2	1	noname	0.0497
307	C154   -87.0757    19.3911  -209.2078	C.3	1	noname	-0.0605
308	C155   -64.8245    33.9889  -212.3638	C.2	1	noname	-0.0312
309	C156   -63.4857    34.3960  -210.3769	C.2	1	noname	-0.0312
310	C157   -88.8884    28.8678  -203.3160	C.2	1	noname	0.0493
311	C158   -97.2473    16.9534  -200.5192	C.3	1	noname	0.0674
312	C159   -94.3910    26.8143  -202.5588	C.2	1	noname	0.0494
313	C160   -89.4125    28.4010  -199.7995	C.2	1	noname	0.0493
314	C161   -90.5661    30.2487  -204.5055	C.3	1	noname	0.0883
315	C162   -90.3025    26.4502  -198.3867	C.3	1	noname	-0.0206
316	C163   -91.9965    21.5219  -205.6555	C.3	1	noname	0.0976
317	C164   -63.6316    33.8053  -211.6435	C.2	1	noname	-0.0019
318	C165   -93.0805    21.2069  -198.3020	C.2	1	noname	0.0495
319	C166   -94.5665    29.8841  -201.0777	C.3	1	noname	-0.0035
320	C167   -92.4843    28.7945  -200.1984	C.2	1	noname	0.0495
321	C168   -85.7737    25.3123  -202.1360	C.3	1	noname	-0.0627
322	C169   -87.4555    25.7736  -200.3496	C.3	1	noname	-0.0627
323	C170   -90.6026    24.8111  -204.3229	C.3	1	noname	0.1109
324	C171   -83.1576    29.7840  -199.8454	C.2	1	noname	0.0142
325	C172   -84.5586    32.3245  -204.3364	C.3	1	noname	-0.0035
326	C173   -88.2064    22.4057  -209.7260	C.3	1	noname	-0.0650
327	C174   -96.2263    24.0731  -206.5141	C.3	1	noname	-0.0627
328	C175   -95.0250    26.1467  -207.0490	C.3	1	noname	-0.0627
329	C176   -82.2729    25.6450  -205.8535	C.3	1	noname	0.1082
330	C177   -86.7783    17.7643  -205.2885	C.3	1	noname	0.1109
331	C178   -93.0108    20.3582  -200.7228	C.3	1	noname	0.0976
332	C179   -87.1754    19.0328  -205.9676	C.2	1	noname	0.0505
333	C180   -89.7523    20.6142  -197.1728	C.3	1	noname	0.0229
334	C181   -91.9609    30.8256  -204.1319	C.3	1	noname	-0.0195
335	C182   -91.6861    25.8364  -204.3198	C.2	1	noname	0.0504
336	C183   -79.8339    29.1541  -202.0326	C.2	1	noname	0.0505
337	C184   -88.2945    31.7062  -207.1914	C.3	1	noname	0.0960
338	C185   -76.5415    28.9585  -206.7654	C.2	1	noname	0.1348
339	C186   -91.7455    22.6448  -204.7129	C.2	1	noname	0.0503
340	C187   -79.9044    27.9910  -202.9568	C.3	1	noname	0.1109
341	C188   -91.3891    25.9061  -197.4192	C.3	1	noname	0.0229
342	C189   -92.9453    20.3837  -205.1779	C.3	1	noname	0.0280
343	C190   -89.6606    31.2256  -205.1627	C.2	1	noname	0.0494
344	C191   -92.5626    15.4906  -198.0334	C.2	1	noname	0.1348
345	C192   -86.8572    31.3223  -207.0444	C.2	1	noname	0.0496
346	C193   -95.8289    29.7660  -201.8415	C.2	1	noname	-0.0660
347	C194   -94.2360    20.1794  -201.6716	C.3	1	noname	0.0280
348	C195   -89.5492    16.9239  -202.8215	C.3	1	noname	0.1135
349	C196   -89.2262    25.2820  -204.8490	C.3	1	noname	0.0675
350	C197   -92.8480    31.2480  -205.3296	C.3	1	noname	0.0354
351	C198   -80.8206    25.3259  -205.4051	C.3	1	noname	0.0463
352	C199   -84.9547    33.7330  -204.4753	C.2	1	noname	-0.0660
353	C200   -91.6807    20.4616  -201.3821	C.2	1	noname	0.0499
354	C201   -82.6791    29.1071  -198.7264	C.2	1	noname	-0.0702
355	C202   -89.1933    20.3998  -201.2437	C.3	1	noname	0.0976
356	C203   -85.2975    17.6600  -204.8407	C.3	1	noname	0.0675
357	C204   -88.8572    31.6072  -208.6376	C.3	1	noname	0.0452
358	C205   -88.8289    16.9281  -204.1213	C.2	1	noname	0.0511
359	C206   -78.6401    27.7790  -203.8170	C.3	1	noname	0.0675
360	C207   -91.0138    16.3664  -202.8050	C.3	1	noname	0.0755
361	C208   -89.0312    19.3340  -197.2558	C.2	1	noname	0.0325
362	C209   -83.3481    25.0087  -205.0427	C.2	1	noname	0.1442
363	C210   -88.9596    18.9370  -201.4392	C.2	1	noname	0.0504
364	C211   -83.7757    23.1530  -194.9465	C.3	1	noname	0.0880
365	C212   -91.1804    24.4701  -197.2230	C.2	1	noname	0.0325
366	C213   -83.4770    23.8746  -193.6077	C.3	1	noname	-0.0265
367	C214   -95.9650    30.3502  -203.1232	C.2	1	noname	-0.0475
368	C215   -96.9272    29.0780  -201.2784	C.2	1	noname	-0.0475
369	C216   -88.0639    21.0315  -200.3982	C.3	1	noname	0.0280
370	C217   -83.5790    23.0541  -192.3065	C.3	1	noname	-0.0451
371	C218   -84.2455    27.9554  -199.6287	C.2	1	noname	-0.0514
372	C219   -85.9744    34.2615  -203.6503	C.2	1	noname	-0.0475
373	C220   -84.3043    34.5659  -205.4107	C.2	1	noname	-0.0475
374	C221   -91.1376    14.8374  -202.9574	C.3	1	noname	-0.0369
375	C222   -84.2926    24.0441  -198.5459	C.3	1	noname	0.0976
376	C223   -81.4223    26.3808  -201.8130	C.2	1	noname	0.0483
377	C224   -93.2364    30.2086  -206.3023	C.2	1	noname	0.1348
378	C225   -80.3180    23.9456  -205.5565	C.2	1	noname	0.0335
379	C226   -90.2654    32.0029  -208.8150	C.2	1	noname	0.0335
380	C227   -83.6372    24.0409  -196.1276	C.2	1	noname	0.0495
381	C228   -97.1790    30.2598  -203.8244	C.2	1	noname	-0.0312
382	C229   -98.1384    28.9858  -201.9789	C.2	1	noname	-0.0312
383	C230   -82.3696    19.7059  -195.9617	C.3	1	noname	0.0933
384	C231   -81.5152    25.1896  -200.9507	C.3	1	noname	0.0766
385	C232   -98.2673    29.5792  -203.2493	C.2	1	noname	-0.0019
386	C233   -82.9234    23.8710  -191.1906	C.3	1	noname	-0.0627
387	C234   -85.0248    22.7541  -191.8936	C.3	1	noname	-0.0627
388	C235   -85.3387    23.1003  -199.2075	C.3	1	noname	0.0280
389	C236   -83.3398    20.8139  -195.7475	C.2	1	noname	0.0495
390	C237   -86.3410    35.6147  -203.7688	C.2	1	noname	-0.0312
391	C238   -84.6783    35.9152  -205.5267	C.2	1	noname	-0.0312
392	C239   -82.9925    24.0908  -199.2764	C.2	1	noname	0.0489
393	C240   -81.2844    20.0994  -196.9948	C.3	1	noname	0.0153
394	C241   -85.6939    36.4411  -204.7067	C.2	1	noname	-0.0019
395	C242   -84.2504    16.3839  -196.3187	C.3	1	noname	0.0882
396	C243   -83.4836    17.4866  -195.6806	C.2	1	noname	0.0494
397	C244   -83.2926    15.4946  -197.1497	C.3	1	noname	-0.0206
398	C245   -80.0780    19.2458  -197.0867	C.2	1	noname	0.0142
399	C246   -86.6023    15.0017  -193.6546	C.3	1	noname	0.0960
400	C247   -84.5174    14.2735  -190.5121	C.3	1	noname	0.0901
401	C248   -84.9460    15.4418  -189.5570	C.3	1	noname	-0.0227
402	C249   -86.0914    15.9238  -194.7039	C.2	1	noname	0.0495
403	C250   -83.9985    14.4155  -198.0049	C.3	1	noname	0.0229
404	C251   -85.4974    14.0724  -191.6199	C.2	1	noname	0.0496
405	C252   -88.0423    15.2980  -193.1492	C.3	1	noname	0.0452
406	C253   -79.6797    18.1824  -196.2755	C.2	1	noname	-0.0702
407	C254   -83.8537    15.8679  -188.5563	C.3	1	noname	-0.0608
408	C255   -86.2402    15.2119  -188.7504	C.3	1	noname	-0.0608
409	C256   -83.1546    13.5526  -198.8514	C.2	1	noname	0.0325
410	C257   -83.5115    11.9989  -190.2426	C.2	1	noname	0.0492
411	C258   -83.5539    10.7509  -189.4424	C.3	1	noname	0.0829
412	C259   -78.1847    18.4807  -197.8116	C.2	1	noname	-0.0514
413	C260   -89.1024    15.0538  -194.1380	C.2	1	noname	0.0335
414	C261   -82.5440     9.6501  -189.8545	C.3	1	noname	-0.0041
415	C262   -82.4705     8.3660  -189.1002	C.2	1	noname	-0.0541
416	C263   -81.5531     7.3932  -189.5663	C.2	1	noname	-0.0567
417	C264   -83.2578     8.0544  -187.9601	C.2	1	noname	-0.0567
418	C265   -81.4383     6.1443  -188.9275	C.2	1	noname	-0.0604
419	C266   -83.1461     6.8016  -187.3271	C.2	1	noname	-0.0604
420	C267   -82.2374     5.8457  -187.8112	C.2	1	noname	-0.0616
421	H1   -69.5943    23.0033  -205.4068	H	1	noname	0.0568
422	H2   -70.7189    21.6773  -203.8952	H	1	noname	0.0288
423	H3   -70.7176    22.9283  -202.6260	H	1	noname	0.0288
424	H4   -68.7245    22.1618  -201.8190	H	1	noname	0.0280
425	H5   -68.6881    20.8921  -203.0688	H	1	noname	0.0280
426	H6   -66.8618    22.9094  -203.0320	H	1	noname	0.0436
427	H7   -67.4372    22.2384  -204.5623	H	1	noname	0.0436
428	H8   -65.9126    24.8074  -203.9923	H	1	noname	0.0594
429	H9   -72.5159    25.4389  -205.2085	H	1	noname	0.1318
430	H10   -66.4147    24.6277  -201.5783	H	1	noname	0.0619
431	H11   -74.0213    24.5122  -204.1896	H	1	noname	0.0566
432	H12   -65.9590    27.5818  -203.5772	H	1	noname	0.1319
433	H13   -73.8481    24.9020  -201.6103	H	1	noname	0.0287
434	H14   -73.8770    26.1152  -202.7453	H	1	noname	0.0287
435	H15   -72.2445    26.9860  -201.4883	H	1	noname	0.0268
436	H16   -71.2563    26.1443  -202.6546	H	1	noname	0.0268
437	H17   -67.9553    26.5742  -201.2273	H	1	noname	0.0257
438	H18   -66.5879    26.5503  -200.1105	H	1	noname	0.0257
439	H19   -66.5865    27.6770  -201.4769	H	1	noname	0.0257
440	H20   -66.2505    29.0808  -205.4818	H	1	noname	0.0569
441	H21   -70.2153    25.5773  -200.6970	H	1	noname	0.0279
442	H22   -71.2682    24.1729  -200.9047	H	1	noname	0.0279
443	H23   -64.3680    24.9855  -202.3495	H	1	noname	0.2105
444	H24   -73.4136    20.9627  -202.9772	H	1	noname	0.1320
445	H25   -63.9593    28.7228  -204.6613	H	1	noname	0.0337
446	H26   -63.4794    28.0605  -206.2155	H	1	noname	0.0337
447	H27   -74.1411    22.9546  -200.9887	H	1	noname	0.0605
448	H28   -72.8752    25.0664  -199.2801	H	1	noname	0.0432
449	H29   -71.9178    26.5660  -199.1148	H	1	noname	0.0432
450	H30   -65.2057    28.5057  -208.0704	H	1	noname	0.1319
451	H31   -75.3200    21.0812  -199.9449	H	1	noname	0.0619
452	H32   -70.1987    24.4821  -198.6554	H	1	noname	0.1309
453	H33   -67.0830    27.7741  -209.8353	H	1	noname	0.0569
454	H34   -76.5571    22.4915  -201.6232	H	1	noname	0.0257
455	H35   -77.1538    20.8249  -201.5244	H	1	noname	0.0257
456	H36   -76.1331    21.3182  -202.8885	H	1	noname	0.0257
457	H37   -65.1593    31.1486  -204.8248	H	1	noname	0.0626
458	H38   -62.4699    29.6380  -207.7128	H	1	noname	0.0626
459	H39   -67.4978    30.7790  -209.4747	H	1	noname	0.0337
460	H40   -66.0056    29.9795  -209.8945	H	1	noname	0.0337
461	H41   -74.0047    19.4346  -200.7005	H	1	noname	0.2105
462	H42   -69.5353    29.1397  -209.9386	H	1	noname	0.1319
463	H43   -64.5645    33.3904  -205.4505	H	1	noname	0.0650
464	H44   -61.8614    31.8890  -208.3074	H	1	noname	0.0650
465	H45   -72.2780    25.8590  -195.4809	H	1	noname	0.0385
466	H46   -73.1010    25.9274  -197.0301	H	1	noname	0.0385
467	H47   -72.0253    21.6140  -198.4627	H	1	noname	0.2213
468	H48   -71.4836    26.0836  -209.2468	H	1	noname	0.0569
469	H49   -72.9018    23.4736  -195.2228	H	1	noname	0.0571
470	H50   -73.5688    23.4411  -196.8795	H	1	noname	0.0571
471	H51   -68.4335    31.9120  -211.4167	H	1	noname	0.0625
472	H52   -66.2475    28.3675  -212.0798	H	1	noname	0.0625
473	H53   -73.1609    27.9198  -208.9726	H	1	noname	0.0337
474	H54   -71.8903    29.0854  -209.0056	H	1	noname	0.0337
475	H55   -70.7317    27.5666  -211.4841	H	1	noname	0.1318
476	H56   -63.2745    34.6846  -206.6442	H	1	noname	0.2181
477	H57   -68.9127    32.0549  -213.7459	H	1	noname	0.0622
478	H58   -66.6684    28.5802  -214.4407	H	1	noname	0.0622
479	H59   -68.0574    30.3845  -215.2820	H	1	noname	0.0622
480	H60   -75.1763    22.9774  -194.2725	H	1	noname	0.0590
481	H61   -75.8108    22.8737  -195.9355	H	1	noname	0.0590
482	H62   -73.8255    26.9209  -206.8241	H	1	noname	0.0625
483	H63   -70.3231    29.2320  -207.1034	H	1	noname	0.0625
484	H64   -73.7705    26.8460  -213.3289	H	1	noname	0.0529
485	H65   -72.0667    26.4054  -213.4777	H	1	noname	0.0529
486	H66   -76.6426    24.9469  -193.8398	H	1	noname	0.0590
487	H67   -77.2800    24.8337  -195.5007	H	1	noname	0.0590
488	H68   -73.8461    27.3444  -204.4815	H	1	noname	0.0622
489	H69   -70.0312    29.1127  -204.7275	H	1	noname	0.0622
490	H70   -71.9218    28.3918  -203.3853	H	1	noname	0.0622
491	H71   -72.0273    29.0556  -212.8717	H	1	noname	0.1316
492	H72   -71.0832    30.1962  -215.0980	H	1	noname	0.0566
493	H73   -78.9460    24.3316  -192.8844	H	1	noname	0.0590
494	H74   -79.5651    24.2967  -194.5530	H	1	noname	0.0590
495	H75   -73.4607    30.2358  -217.0332	H	1	noname	0.0288
496	H76   -71.9338    29.3934  -217.3550	H	1	noname	0.0288
497	H77   -73.7782    31.0099  -214.3749	H	1	noname	0.1318
498	H78   -72.1837    32.4406  -217.0290	H	1	noname	0.0280
499	H79   -70.7137    31.5292  -217.4482	H	1	noname	0.0280
500	H80   -80.8967    22.8171  -193.1372	H	1	noname	0.0590
501	H81   -80.0247    21.8567  -194.3394	H	1	noname	0.0590
502	H82   -73.2672    31.4555  -219.1606	H	1	noname	0.0432
503	H83   -71.6359    30.8689  -219.5735	H	1	noname	0.0432
504	H84   -74.0433    33.7483  -214.5579	H	1	noname	0.0566
505	H85   -71.6289    34.5349  -212.8257	H	1	noname	0.0293
506	H86   -72.1443    35.2694  -214.3343	H	1	noname	0.0293
507	H87   -71.4346    33.5520  -218.9603	H	1	noname	0.1306
508	H88   -81.0800    20.9880  -191.5108	H	1	noname	0.0590
509	H89   -80.3338    19.8958  -192.6986	H	1	noname	0.0590
510	H90   -73.5649    33.2854  -211.8171	H	1	noname	0.1318
511	H91   -73.6410    35.4347  -211.6608	H	1	noname	0.0373
512	H92   -74.1729    36.1768  -213.1729	H	1	noname	0.0373
513	H93   -79.2158    20.5929  -189.9351	H	1	noname	0.0590
514	H94   -78.4295    19.5173  -191.1167	H	1	noname	0.0590
515	H95   -74.4674    31.1388  -210.7392	H	1	noname	0.0529
516	H96   -76.1496    30.9071  -211.2139	H	1	noname	0.0529
517	H97   -71.2607    35.0941  -220.5088	H	1	noname	0.1267
518	H98   -71.9883    34.8783  -222.0119	H	1	noname	0.1267
519	H99   -72.7049    32.8247  -222.5718	H	1	noname	0.1898
520	H100   -75.6847    33.6177  -210.6126	H	1	noname	0.1316
521	H101   -72.6369    38.8916  -211.3137	H	1	noname	0.2213
522	H102   -80.3556    17.2100  -188.9865	H	1	noname	0.0529
523	H103   -79.4836    18.6009  -188.3294	H	1	noname	0.0529
524	H104   -78.7052    17.5346  -189.5306	H	1	noname	0.0529
525	H105   -77.2564    34.3736  -208.9988	H	1	noname	0.0575
526	H106   -77.7028    32.8064  -206.4461	H	1	noname	0.0410
527	H107   -78.5957    34.1738  -207.0551	H	1	noname	0.0410
528	H108   -76.2270    34.8528  -206.6258	H	1	noname	0.1319
529	H109   -74.4050    36.2956  -206.2094	H	1	noname	0.0569
530	H110   -74.4942    37.7034  -208.9321	H	1	noname	0.0318
531	H111   -72.2988    36.2400  -208.2801	H	1	noname	0.1319
532	H112   -70.6168    38.4894  -207.4014	H	1	noname	0.0566
533	H113   -70.4467    38.7621  -204.8879	H	1	noname	0.0290
534	H114   -69.5428    37.2694  -204.8087	H	1	noname	0.0290
535	H115   -76.7594    38.6214  -208.2167	H	1	noname	0.0234
536	H116   -76.7778    37.4133  -206.9220	H	1	noname	0.0234
537	H117   -76.7341    36.9251  -208.6317	H	1	noname	0.0234
538	H118   -74.8492    39.8419  -207.6700	H	1	noname	0.0234
539	H119   -74.4793    38.9910  -206.1615	H	1	noname	0.0234
540	H120   -73.2608    39.1511  -207.4472	H	1	noname	0.0234
541	H121   -67.6526    38.4308  -206.0640	H	1	noname	0.0298
542	H122   -69.6866    35.7962  -207.3000	H	1	noname	0.1318
543	H123   -66.6987    35.9721  -207.9328	H	1	noname	0.0569
544	H124   -66.8542    39.6887  -204.0864	H	1	noname	0.0233
545	H125   -67.6612    40.9328  -206.1345	H	1	noname	0.0233
546	H126   -69.3483    40.9488  -205.5882	H	1	noname	0.0233
547	H127   -68.9265    40.2691  -207.1645	H	1	noname	0.0233
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549	H129   -67.5744    38.1468  -203.6265	H	1	noname	0.0233
550	H130   -70.3699    34.0760  -207.8804	H	1	noname	0.0566
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552	H132   -97.7571    16.5537  -196.2084	H	1	noname	0.0569
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554	H134   -69.2869    32.2697  -209.4789	H	1	noname	0.0290
555	H135   -67.5131    36.5368  -210.8270	H	1	noname	0.0337
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557	H137   -96.8726    18.6084  -195.9125	H	1	noname	0.0569
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560	H140   -76.6058    31.5546  -201.8417	H	1	noname	0.0569
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562	H142   -79.8137    34.5491  -202.0389	H	1	noname	0.0566
563	H143   -81.5057    34.6729  -203.8604	H	1	noname	0.0290
564	H144   -80.4835    33.6692  -204.8628	H	1	noname	0.0290
565	H145   -75.3961    33.9798  -200.4348	H	1	noname	0.0318
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567	H147   -97.8252    13.6882  -197.3703	H	1	noname	0.0267
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569	H149   -80.2479    29.6728  -207.1170	H	1	noname	0.0410
570	H150   -78.7494    35.4623  -204.9450	H	1	noname	0.0298
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572	H152   -70.5693    32.0735  -206.1672	H	1	noname	0.1318
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576	H156   -77.7793    34.0018  -201.2975	H	1	noname	0.1319
577	H157   -82.9141    29.8799  -207.2715	H	1	noname	0.0575
578	H158   -74.8603    32.7646  -205.6347	H	1	noname	0.0566
579	H159   -97.0636    15.9134  -198.2298	H	1	noname	0.1318
580	H160   -95.5816    17.2709  -197.5230	H	1	noname	0.0566
581	H161   -73.4004    31.5657  -208.6384	H	1	noname	0.0233
582	H162   -72.7967    33.1732  -210.2863	H	1	noname	0.0233
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584	H164   -71.4853    34.1866  -209.7716	H	1	noname	0.0233
585	H165   -71.2230    33.0525  -211.1063	H	1	noname	0.0233
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587	H167   -70.7339    32.7212  -203.5439	H	1	noname	0.0563
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611	H191   -80.5558    35.3059  -206.6806	H	1	noname	0.0233
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618	H198   -89.1547    19.0333  -209.2759	H	1	noname	0.0321
619	H199   -88.3477    21.0906  -207.1657	H	1	noname	0.0569
620	H200   -82.7080    29.1315  -204.4548	H	1	noname	0.1319
621	H201   -66.7083    34.9104  -212.3795	H	1	noname	0.0626
622	H202   -64.3869    35.6140  -208.9207	H	1	noname	0.0626
623	H203   -87.8450    29.5377  -201.7073	H	1	noname	0.0566
624	H204   -86.1412    28.0785  -201.5919	H	1	noname	0.0290
625	H205   -86.6375    27.6291  -203.1523	H	1	noname	0.0290
626	H206   -70.0900    34.9650  -202.7176	H	1	noname	0.0251
627	H207   -71.7091    34.5009  -202.1730	H	1	noname	0.0251
628	H208   -71.5191    35.6646  -203.4863	H	1	noname	0.0251
629	H209   -93.9887    27.1667  -204.5585	H	1	noname	0.0566
630	H210   -77.0205    30.7547  -205.7966	H	1	noname	0.0373
631	H211   -76.3641    29.4995  -204.7547	H	1	noname	0.0373
632	H212   -91.9454    19.4091  -198.1673	H	1	noname	0.0566
633	H213   -96.2277    26.0538  -204.4915	H	1	noname	0.0290
634	H214   -95.4543    24.5757  -203.9273	H	1	noname	0.0290
635	H215   -87.8133    25.6937  -202.4439	H	1	noname	0.0298
636	H216   -82.7453    31.8294  -199.6397	H	1	noname	0.0354
637	H217   -83.2094    31.3300  -201.2769	H	1	noname	0.0354
638	H218   -89.9890    21.2424  -209.8868	H	1	noname	0.0267
639	H219   -88.7048    20.7418  -210.9631	H	1	noname	0.0267
640	H220   -94.6246    15.2960  -198.4792	H	1	noname	0.0373
641	H221   -93.5306    15.4381  -199.8558	H	1	noname	0.0373
642	H222   -94.1629    24.4298  -206.1018	H	1	noname	0.0298
643	H223   -93.0313    19.7406  -195.6196	H	1	noname	0.1318
644	H224   -90.7304    28.5455  -198.1545	H	1	noname	0.0566
645	H225   -94.3866    27.9460  -200.1394	H	1	noname	0.0569
646	H226   -84.2682    31.7276  -206.3920	H	1	noname	0.0569
647	H227   -91.3640    21.6857  -196.2878	H	1	noname	0.0292
648	H228   -91.1088    20.0978  -195.6597	H	1	noname	0.0292
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650	H230   -81.7401    29.6776  -202.3575	H	1	noname	0.1319
651	H231   -86.9023    19.1907  -210.2679	H	1	noname	0.0234
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653	H233   -86.9038    18.4532  -208.6762	H	1	noname	0.0234
654	H234   -64.9377    33.5555  -213.2833	H	1	noname	0.0650
655	H235   -62.6186    34.2602  -209.8534	H	1	noname	0.0650
656	H236   -88.9639    18.3152  -206.5324	H	1	noname	0.1319
657	H237   -96.7928    17.9355  -200.6663	H	1	noname	0.0522
658	H238   -96.4612    16.2238  -200.3143	H	1	noname	0.0522
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660	H240   -89.3422    26.4376  -197.8564	H	1	noname	0.0292
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662	H242   -92.4465    21.9561  -206.5524	H	1	noname	0.0575
663	H243   -82.7719    27.3503  -204.8576	H	1	noname	0.1319
664	H244   -93.0395    24.6074  -203.5031	H	1	noname	0.1318
665	H245   -92.8462    28.0931  -202.6232	H	1	noname	0.1319
666	H246   -92.0988    26.8524  -199.9366	H	1	noname	0.1318
667	H247   -94.8008    30.3251  -200.1007	H	1	noname	0.0337
668	H248   -93.9037    30.5821  -201.5949	H	1	noname	0.0337
669	H249   -89.9901    21.1398  -205.3194	H	1	noname	0.1319
670	H250   -90.2155    30.1317  -202.4829	H	1	noname	0.1318
671	H251   -87.2691    24.7476  -200.0978	H	1	noname	0.0233
672	H252   -86.9877    26.3889  -199.5981	H	1	noname	0.0233
673	H253   -88.5258    25.8564  -200.3150	H	1	noname	0.0233
674	H254   -86.0146    24.2823  -202.4026	H	1	noname	0.0233
675	H255   -85.0845    25.2467  -201.3066	H	1	noname	0.0233
676	H256   -85.2364    25.7469  -202.9684	H	1	noname	0.0233
677	H257   -90.4342    24.4969  -203.2884	H	1	noname	0.0590
678	H258   -83.5003    32.2681  -204.0818	H	1	noname	0.0337
679	H259   -85.1629    31.9162  -203.5263	H	1	noname	0.0337
680	H260   -88.5614    23.1231  -210.4659	H	1	noname	0.0230
681	H261   -88.4255    22.7775  -208.7251	H	1	noname	0.0230
682	H262   -87.1303    22.2723  -209.8365	H	1	noname	0.0230
683	H263   -94.8776    25.7381  -208.0487	H	1	noname	0.0233
684	H264   -96.0359    23.7746  -207.5450	H	1	noname	0.0233
685	H265   -97.1761    24.6049  -206.4593	H	1	noname	0.0233
686	H266   -96.2691    23.1867  -205.8812	H	1	noname	0.0233
687	H267   -94.1931    26.8052  -206.7993	H	1	noname	0.0233
688	H268   -95.9567    26.7118  -207.0212	H	1	noname	0.0233
689	H269   -86.9017    16.9447  -205.9997	H	1	noname	0.0590
690	H270   -92.9493    19.3953  -200.2817	H	1	noname	0.0575
691	H271   -82.3621    25.3443  -206.8989	H	1	noname	0.0583
692	H272   -89.1291    21.3500  -196.6646	H	1	noname	0.0361
693	H273   -89.7696    21.0419  -198.1752	H	1	noname	0.0361
694	H274   -92.4996    30.1044  -203.5173	H	1	noname	0.0293
695	H275   -91.7822    31.6970  -203.5019	H	1	noname	0.0293
696	H276   -86.8575    31.6172  -205.0681	H	1	noname	0.1319
697	H277   -88.3736    32.7565  -206.8951	H	1	noname	0.0571
698	H278   -93.7317    22.1114  -199.9657	H	1	noname	0.1319
699	H279   -80.6982    28.1688  -203.6856	H	1	noname	0.0590
700	H280   -91.3117    26.4188  -196.4605	H	1	noname	0.0361
701	H281   -92.3425    26.0412  -197.9300	H	1	noname	0.0361
702	H282   -92.4863    19.8545  -204.3429	H	1	noname	0.0410
703	H283   -92.9906    19.6953  -206.0218	H	1	noname	0.0410
704	H284   -90.7186    23.6834  -206.0654	H	1	noname	0.1319
705	H285   -89.3530    30.0041  -206.7113	H	1	noname	0.1319
706	H286   -95.1009    19.8576  -201.0915	H	1	noname	0.0410
707	H287   -93.9309    19.3842  -202.3519	H	1	noname	0.0410
708	H288   -88.9404    16.3542  -202.1112	H	1	noname	0.0593
709	H289   -88.9041    26.1598  -204.2888	H	1	noname	0.0585
710	H290   -89.3376    25.5804  -205.8915	H	1	noname	0.0585
711	H291   -87.2931    17.9052  -203.3020	H	1	noname	0.1319
712	H292   -93.7411    31.7519  -204.9603	H	1	noname	0.0373
713	H293   -92.3262    32.0043  -205.9159	H	1	noname	0.0373
714	H294   -80.6779    25.6536  -204.3754	H	1	noname	0.0383
715	H295   -80.1286    25.9370  -205.9847	H	1	noname	0.0383
716	H296   -81.9237    29.3993  -198.1110	H	1	noname	0.0808
717	H297   -89.1242    20.8978  -202.2162	H	1	noname	0.0575
718	H298   -97.2273    16.5022  -202.5125	H	1	noname	0.1188
719	H299   -98.6367    17.2291  -201.9925	H	1	noname	0.1188
720	H300   -85.1050    16.6600  -204.4519	H	1	noname	0.0585
721	H301   -84.6683    17.8178  -205.7167	H	1	noname	0.0585
722	H302   -88.7141    30.5945  -209.0146	H	1	noname	0.0382
723	H303   -88.2300    32.2922  -209.2080	H	1	noname	0.0382
724	H304   -78.4236    28.6898  -204.3754	H	1	noname	0.0585
725	H305   -78.8386    26.9602  -204.5086	H	1	noname	0.0585
726	H306   -91.6170    16.8303  -203.5928	H	1	noname	0.0619
727	H307   -90.5877    20.6905  -199.7162	H	1	noname	0.1319
728	H308   -79.4239    26.2709  -201.9179	H	1	noname	0.1319
729	H309   -90.1754    18.8478  -203.0210	H	1	noname	0.1319
730	H310   -84.8284    22.8543  -194.8923	H	1	noname	0.0566
731	H311   -62.8880    32.7361  -213.0517	H	1	noname	0.2181
732	H312   -82.4975    24.3498  -193.6618	H	1	noname	0.0290
733	H313   -84.1924    24.6935  -193.5330	H	1	noname	0.0290
734	H314   -83.2477    27.2856  -197.9516	H	1	noname	0.1531
735	H315   -95.1841    30.8506  -203.5534	H	1	noname	0.0626
736	H316   -96.8477    28.6444  -200.3544	H	1	noname	0.0626
737	H317   -87.6148    20.2678  -199.7632	H	1	noname	0.0410
738	H318   -87.2475    21.2890  -201.0730	H	1	noname	0.0410
739	H319   -83.0066    22.1328  -192.4145	H	1	noname	0.0298
740	H320   -84.8879    27.1946  -199.7978	H	1	noname	0.1013
741	H321   -75.9292    28.0252  -208.4769	H	1	noname	0.2213
742	H322   -86.4594    33.6786  -202.9589	H	1	noname	0.0626
743	H323   -83.5554    34.2060  -206.0109	H	1	noname	0.0626
744	H324   -90.5549    15.8012  -197.8251	H	1	noname	0.2213
745	H325   -90.6793    14.5275  -203.8966	H	1	noname	0.0257
746	H326   -92.1907    14.5563  -202.9568	H	1	noname	0.0257
747	H327   -90.6302    14.3472  -202.1264	H	1	noname	0.0257
748	H328   -84.7305    25.0429  -198.4686	H	1	noname	0.0575
749	H329   -81.9971    22.0958  -194.9771	H	1	noname	0.1318
750	H330   -97.2655    30.6922  -204.7479	H	1	noname	0.0650
751	H331   -98.9250    28.4879  -201.5591	H	1	noname	0.0650
752	H332   -81.8841    19.5245  -195.0001	H	1	noname	0.0570
753	H333   -81.3519    24.2937  -201.5498	H	1	noname	0.0529
754	H334   -80.6533    25.1230  -200.2868	H	1	noname	0.0529
755	H335   -87.3797    24.6054  -205.0940	H	1	noname	0.2101
756	H336   -84.4547    22.5868  -197.1359	H	1	noname	0.1319
757	H337   -85.0262    22.1742  -190.9707	H	1	noname	0.0233
758	H338   -85.5591    23.6908  -191.7350	H	1	noname	0.0233
759	H339   -85.5168    22.1841  -192.6816	H	1	noname	0.0233
760	H340   -82.9791    23.3167  -190.2537	H	1	noname	0.0233
761	H341   -83.4452    24.8218  -191.0817	H	1	noname	0.0233
762	H342   -81.8790    24.0564  -191.4416	H	1	noname	0.0233
763	H343   -85.6896    23.5433  -200.1395	H	1	noname	0.0410
764	H344   -84.8676    22.1465  -199.4450	H	1	noname	0.0410
765	H345   -85.4843    18.5151  -203.0646	H	1	noname	0.2101
766	H346   -90.3993    18.1765  -196.3521	H	1	noname	0.1271
767	H347   -88.9855    17.3834  -196.7857	H	1	noname	0.1271
768	H348   -87.0779    35.9958  -203.1705	H	1	noname	0.0650
769	H349   -84.2066    36.5114  -206.2090	H	1	noname	0.0650
770	H350   -91.1106    22.6841  -198.1391	H	1	noname	0.1271
771	H351   -91.5245    23.9533  -199.1419	H	1	noname	0.1271
772	H352   -76.7296    27.2807  -203.6729	H	1	noname	0.2101
773	H353   -91.1240    16.2717  -200.8294	H	1	noname	0.2105
774	H354   -83.4383    25.6980  -200.4028	H	1	noname	0.1316
775	H355   -81.7388    20.1936  -197.9811	H	1	noname	0.0354
776	H356   -80.9089    21.0963  -196.7637	H	1	noname	0.0354
777	H357   -84.9853    16.8296  -196.9989	H	1	noname	0.0566
778	H358   -83.1881    18.4595  -197.4023	H	1	noname	0.1319
779	H359   -85.3563    24.6164  -204.9388	H	1	noname	0.2213
780	H360   -82.5717    15.0177  -196.4856	H	1	noname	0.0292
781	H361   -82.7383    16.1197  -197.8498	H	1	noname	0.0292
782	H362   -91.6023    33.5056  -208.7462	H	1	noname	0.1271
783	H363   -90.0375    33.9432  -208.3241	H	1	noname	0.1271
784	H364   -82.0555    23.1009  -206.0922	H	1	noname	0.1271
785	H365   -80.7701    22.0286  -205.9839	H	1	noname	0.1271
786	H366   -94.1355    29.9334  -208.0889	H	1	noname	0.2213
787	H367   -84.5205    14.7437  -195.0821	H	1	noname	0.1318
788	H368   -86.5914    13.9908  -194.0756	H	1	noname	0.0571
789	H369   -83.5793    14.5783  -190.9903	H	1	noname	0.0569
790	H370   -85.1153    16.3090  -190.1952	H	1	noname	0.0318
791	H371   -84.7688    14.8839  -198.6175	H	1	noname	0.0361
792	H372   -84.5727    13.7541  -197.3561	H	1	noname	0.0361
793	H373   -99.3629    29.9567  -204.7741	H	1	noname	0.2181
794	H374   -85.1907    15.8797  -192.4235	H	1	noname	0.1319
795	H375   -88.2403    14.7118  -192.2519	H	1	noname	0.0382
796	H376   -88.0443    16.3531  -192.8753	H	1	noname	0.0382
797	H377   -80.1711    17.8031  -195.4644	H	1	noname	0.0808
798	H378   -84.7638    12.9013  -188.9755	H	1	noname	0.1319
799	H379   -86.7609    37.9440  -204.1812	H	1	noname	0.2181
800	H380   -86.4386    16.0828  -188.1257	H	1	noname	0.0234
801	H381   -84.2287    16.6797  -187.9330	H	1	noname	0.0234
802	H382   -86.1232    14.3310  -188.1191	H	1	noname	0.0234
803	H383   -87.0735    15.0593  -189.4363	H	1	noname	0.0234
804	H384   -83.5872    15.0194  -187.9263	H	1	noname	0.0234
805	H385   -82.9729    16.2060  -189.1021	H	1	noname	0.0234
806	H386   -77.9882    17.0069  -196.3783	H	1	noname	0.1531
807	H387   -83.3560    11.0133  -188.4013	H	1	noname	0.0563
808	H388   -77.3399    18.3610  -198.3727	H	1	noname	0.1013
809	H389   -82.6491     9.4407  -190.9190	H	1	noname	0.0337
810	H390   -81.5399    10.0686  -189.7861	H	1	noname	0.0337
811	H391   -81.3317    13.0582  -199.5562	H	1	noname	0.1271
812	H392   -81.3358    14.3554  -198.4922	H	1	noname	0.1271
813	H393   -85.5837    10.9005  -189.2034	H	1	noname	0.1191
814	H394   -85.1204    10.0240  -190.5459	H	1	noname	0.1191
815	H395   -90.5590    15.9096  -195.2276	H	1	noname	0.1271
816	H396   -89.7070    16.9706  -194.2449	H	1	noname	0.1271
817	H397   -80.9542     7.5726  -190.3791	H	1	noname	0.0625
818	H398   -83.9246     8.7237  -187.5702	H	1	noname	0.0625
819	H399   -80.7732     5.4513  -189.2776	H	1	noname	0.0622
820	H400   -83.7269     6.5845  -186.5135	H	1	noname	0.0622
821	H401   -82.1570     4.9356  -187.3522	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	227	1
3	2	255	1
4	3	4	1
5	3	342	1
6	4	347	1
7	5	6	1
8	5	369	1
9	6	388	1
10	7	158	2
11	8	159	2
12	161	9	1
13	9	443	1
14	10	166	2
15	11	167	2
16	173	12	1
17	12	461	1
18	13	177	1
19	13	467	1
20	14	175	2
21	15	177	2
22	16	182	2
23	17	187	1
24	17	476	1
25	18	190	1
26	18	199	1
27	19	188	2
28	20	198	2
29	21	203	1
30	21	209	1
31	22	207	2
32	23	212	1
33	23	217	1
34	24	213	2
35	25	219	1
36	25	224	1
37	26	220	2
38	27	222	1
39	27	521	1
40	28	222	2
41	29	225	2
42	30	229	2
43	31	233	2
44	32	238	2
45	33	251	2
46	34	257	2
47	35	259	2
48	36	263	2
49	37	264	2
50	38	271	2
51	39	278	2
52	40	281	2
53	41	286	2
54	42	288	2
55	43	289	2
56	44	303	2
57	45	306	2
58	46	317	1
59	46	731	1
60	47	310	2
61	48	312	2
62	49	313	2
63	50	318	2
64	51	320	2
65	52	338	1
66	52	741	1
67	53	332	2
68	54	344	1
69	54	744	1
70	55	335	2
71	56	336	2
72	57	338	2
73	58	339	2
74	59	343	2
75	60	344	2
76	61	349	1
77	61	755	1
78	62	345	2
79	63	356	1
80	63	765	1
81	64	359	1
82	64	772	1
83	65	353	2
84	360	66	1
85	66	773	1
86	67	358	2
87	68	362	1
88	68	779	1
89	69	361	2
90	70	363	2
91	71	362	2
92	72	365	2
93	73	377	1
94	73	786	1
95	74	376	2
96	75	377	2
97	76	378	2
98	77	379	2
99	78	380	2
100	79	385	1
101	79	793	1
102	80	389	2
103	81	392	2
104	82	394	1
105	82	799	1
106	83	396	2
107	84	402	2
108	85	404	2
109	86	409	2
110	87	410	2
111	88	413	2
112	89	154	1
113	89	157	1
114	89	158	1
115	90	159	1
116	162	90	1
117	90	429	1
118	160	91	1
119	91	167	1
120	91	432	1
121	92	166	1
122	171	92	1
123	92	444	1
124	168	93	1
125	93	175	1
126	93	450	1
127	94	172	1
128	94	182	1
129	94	452	1
130	176	95	1
131	95	188	1
132	95	462	1
133	189	96	1
134	96	198	1
135	96	475	1
136	97	202	1
137	97	207	1
138	97	491	1
139	208	98	1
140	98	213	1
141	98	497	1
142	99	214	1
143	99	221	1
144	99	507	1
145	215	100	1
146	100	220	1
147	100	510	1
148	101	221	1
149	101	517	1
150	101	518	1
151	102	221	2
152	102	519	1
153	103	223	1
154	103	225	1
155	103	520	1
156	226	104	1
157	104	229	1
158	104	528	1
159	228	105	1
160	105	233	1
161	105	531	1
162	231	106	1
163	106	238	1
164	106	542	1
165	237	107	1
166	107	251	1
167	107	559	1
168	246	108	1
169	108	257	1
170	108	571	1
171	241	109	1
172	109	271	1
173	109	572	1
174	248	110	1
175	110	259	1
176	110	576	1
177	243	111	1
178	111	289	1
179	111	579	1
180	250	112	1
181	112	281	1
182	112	588	1
183	262	113	1
184	113	264	1
185	113	595	1
186	114	263	1
187	265	114	1
188	114	602	1
189	268	115	1
190	115	278	1
191	115	616	1
192	260	116	1
193	116	303	1
194	116	620	1
195	117	286	1
196	294	117	1
197	117	643	1
198	287	118	1
199	118	313	1
200	118	649	1
201	280	119	1
202	119	336	1
203	119	650	1
204	120	283	1
205	120	332	1
206	120	656	1
207	121	288	1
208	329	121	1
209	121	663	1
210	292	122	1
211	122	335	1
212	122	664	1
213	302	123	1
214	123	312	1
215	123	665	1
216	301	124	1
217	124	320	1
218	124	666	1
219	125	306	1
220	125	316	1
221	125	669	1
222	126	310	1
223	314	126	1
224	126	670	1
225	304	127	1
226	127	345	1
227	127	696	1
228	128	318	1
229	331	128	1
230	128	698	1
231	323	129	1
232	129	339	1
233	129	704	1
234	337	130	1
235	130	343	1
236	130	705	1
237	131	330	1
238	131	358	1
239	131	711	1
240	132	311	1
241	132	718	1
242	132	719	1
243	133	353	1
244	133	355	1
245	133	727	1
246	134	324	1
247	134	371	2
248	340	135	1
249	135	376	1
250	135	728	1
251	136	348	1
252	136	363	1
253	136	729	1
254	137	354	1
255	137	371	1
256	137	734	1
257	364	138	1
258	138	389	1
259	138	749	1
260	375	139	1
261	139	380	1
262	139	756	1
263	140	361	1
264	140	766	1
265	140	767	1
266	141	365	1
267	141	770	1
268	141	771	1
269	142	384	1
270	142	392	1
271	142	774	1
272	383	143	1
273	143	396	1
274	143	778	1
275	144	379	1
276	144	782	1
277	144	783	1
278	145	378	1
279	145	784	1
280	145	785	1
281	395	146	1
282	146	402	1
283	146	787	1
284	399	147	1
285	147	404	1
286	147	794	1
287	400	148	1
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290	149	398	1
291	149	412	2
292	150	406	1
293	150	412	1
294	150	806	1
295	151	409	1
296	151	811	1
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301	153	413	1
302	153	815	1
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315	158	160	1
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324	163	433	1
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326	164	169	1
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386	194	477	1
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503	248	560	1
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530	261	284	2
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532	262	275	1
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535	265	279	1
536	265	286	1
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538	266	582	1
539	266	584	1
540	266	585	1
541	267	581	1
542	267	583	1
543	267	586	1
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550	270	589	1
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554	272	597	1
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556	273	599	1
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565	276	609	1
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611	296	635	1
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614	297	637	1
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617	298	639	1
618	299	344	1
619	299	640	1
620	299	641	1
621	300	327	1
622	300	328	1
623	300	642	1
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626	301	644	1
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629	302	645	1
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632	304	646	1
633	305	333	1
634	305	647	1
635	305	648	1
636	307	651	1
637	307	652	1
638	307	653	1
639	308	317	2
640	308	654	1
641	309	317	1
642	309	655	1
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644	311	658	1
645	314	334	1
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732	359	725	1
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737	364	730	1
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740	366	733	1
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744	368	736	1
745	369	737	1
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751	372	390	1
752	372	742	1
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754	373	743	1
755	374	745	1
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757	374	747	1
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760	375	748	1
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763	381	750	1
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772	386	761	1
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779	390	394	2
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781	391	394	1
782	391	769	1
783	393	398	1
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785	393	776	1
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792	398	406	2
793	399	402	1
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806	405	795	1
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812	408	800	1
813	408	802	1
814	408	803	1
815	410	411	1
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817	411	807	1
818	412	808	1
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820	414	809	1
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822	415	416	2
823	415	417	1
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826	417	419	2
827	417	818	1
828	418	420	2
829	418	819	1
830	419	420	1
831	419	820	1
832	420	821	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
