@<TRIPOS>MOLECULE
118856773
924 933 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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216	C19   -42.3082    82.0093   -64.4287	C.3	1	noname	0.0882
217	C20   -46.1053    80.8486   -72.2873	C.3	1	noname	-0.0408
218	C21   -51.6467    63.2499   -67.9960	C.3	1	noname	-0.0274
219	C22   -50.6051    62.4715   -65.9400	C.3	1	noname	0.0067
220	C23   -50.7519    62.1237   -67.4321	C.3	1	noname	-0.0379
221	C24   -49.0810    64.8883   -64.7933	C.3	1	noname	0.0905
222	C25   -50.4049    64.9320   -65.4650	C.2	1	noname	0.0543
223	C26   -41.5236    82.9561   -63.4687	C.3	1	noname	-0.0206
224	C27   -49.2207    65.0125   -63.2364	C.3	1	noname	-0.0201
225	C28   -46.6415    80.1522   -73.5480	C.3	1	noname	-0.0076
226	C29   -53.4527    63.1710   -66.2026	C.2	1	noname	0.0494
227	C30   -51.1596    82.7668   -73.8806	C.3	1	noname	-0.0369
228	C31   -42.5064    80.6478   -63.8855	C.2	1	noname	0.0499
229	C32   -47.8593    64.9485   -62.4768	C.3	1	noname	-0.0516
230	C33   -40.0703    82.5261   -63.1338	C.3	1	noname	0.0229
231	C34   -53.2582    87.3113   -73.2172	C.2	1	noname	0.0483
232	C35   -50.1493    63.9327   -62.5947	C.3	1	noname	-0.0605
233	C36   -55.2334    62.8610   -64.5151	C.3	1	noname	0.0883
234	C37   -53.5133    88.5548   -73.9582	C.3	1	noname	0.0766
235	C38   -47.7946    65.8764   -66.6652	C.2	1	noname	0.0494
236	C39   -42.7371    78.2356   -64.4256	C.3	1	noname	0.1109
237	C40   -47.1141    63.6008   -62.6875	C.3	1	noname	-0.0650
238	C41   -55.6146    63.3659   -63.0957	C.3	1	noname	-0.0195
239	C42   -46.8318    66.9253   -67.0709	C.3	1	noname	0.0883
240	C43   -39.4165    83.4935   -62.2232	C.2	1	noname	0.0325
241	C44   -56.3481    63.0900   -65.4710	C.2	1	noname	0.0493
242	C45   -47.0084    67.3112   -68.5688	C.3	1	noname	-0.0195
243	C46   -43.0238    77.4580   -65.7351	C.3	1	noname	0.0675
244	C47   -54.5576    63.1658   -61.9748	C.3	1	noname	0.0354
245	C48   -41.5729    77.7517   -63.6426	C.2	1	noname	0.0505
246	C49   -57.5364    62.2792   -67.4933	C.3	1	noname	0.0883
247	C50   -46.1556    68.4943   -69.1134	C.3	1	noname	0.0354
248	C51   -54.6993    89.3177   -75.9220	C.2	1	noname	0.0485
249	C52   -44.9753    66.1521   -65.6189	C.2	1	noname	0.0493
250	C53   -56.0063    89.2787   -76.5955	C.3	1	noname	0.0883
251	C54   -57.3420    61.2138   -68.6088	C.3	1	noname	-0.0195
252	C55   -40.5848    77.6259   -61.3302	C.3	1	noname	0.0933
253	C56   -43.5589    65.7385   -65.5452	C.3	1	noname	0.0883
254	C57   -55.0176    63.6862   -60.6664	C.2	1	noname	0.1348
255	C58   -58.8659    62.1323   -66.8697	C.2	1	noname	0.0494
256	C59   -55.8989    88.7513   -78.0390	C.3	1	noname	-0.0195
257	C60   -43.3214    64.7215   -64.3941	C.3	1	noname	-0.0195
258	C61   -46.3961    68.7480   -70.5526	C.2	1	noname	0.1348
259	C62   -41.1135    78.1010   -59.9297	C.3	1	noname	0.0153
260	C63   -56.0125    61.2259   -69.4098	C.3	1	noname	0.0354
261	C64   -40.2618    76.1683   -61.2459	C.2	1	noname	0.0496
262	C65   -57.2620    88.4893   -78.7209	C.3	1	noname	0.0354
263	C66   -60.7437    63.2407   -65.7578	C.3	1	noname	0.0918
264	C67   -41.8658    64.2242   -64.1768	C.3	1	noname	0.0354
265	C68   -41.2173    79.5182   -59.5455	C.2	1	noname	0.0142
266	C69   -42.6579    67.9166   -66.2854	C.2	1	noname	0.0495
267	C70   -56.9737    91.2596   -75.4869	C.2	1	noname	0.0477
268	C71   -55.9505    60.1387   -70.4125	C.2	1	noname	0.1348
269	C72   -61.0826    64.6673   -65.2409	C.3	1	noname	-0.0035
270	C73   -41.7540    69.0500   -65.9904	C.3	1	noname	0.0918
271	C74   -39.2200    74.1060   -62.1427	C.3	1	noname	0.0960
272	C75   -61.8114    62.7044   -66.6375	C.2	1	noname	0.0495
273	C76   -57.0670    87.9665   -80.0855	C.2	1	noname	0.1348
274	C77   -57.3732    92.6628   -75.6750	C.3	1	noname	0.0766
275	C78   -41.7491    63.3171   -63.0133	C.2	1	noname	0.1348
276	C79   -40.2106    80.4257   -59.2183	C.2	1	noname	-0.0702
277	C80   -42.3034    70.3536   -66.6556	C.3	1	noname	-0.0035
278	C81   -60.0845    65.2392   -64.2941	C.2	1	noname	-0.0660
279	C82   -40.5424    73.2530   -62.1398	C.3	1	noname	0.0452
280	C83   -63.2737    63.1456   -68.6079	C.3	1	noname	0.0880
281	C84   -38.2837    73.7463   -63.2447	C.2	1	noname	0.0497
282	C85   -63.9240    64.5542   -68.6985	C.3	1	noname	-0.0265
283	C86   -42.1394    81.3085   -58.7499	C.2	1	noname	-0.0514
284	C87   -41.5262    71.6088   -66.4780	C.2	1	noname	-0.0541
285	C88   -64.2393    65.1514   -67.3088	C.3	1	noname	-0.0451
286	C89   -39.6531    67.6856   -65.9757	C.2	1	noname	0.0496
287	C90   -59.3814    66.4201   -64.6324	C.2	1	noname	-0.0475
288	C91   -59.8160    64.6287   -63.0453	C.2	1	noname	-0.0475
289	C92   -63.0073    62.5919   -69.9260	C.2	1	noname	0.0496
290	C93   -40.4131    71.8150   -61.8496	C.2	1	noname	0.0335
291	C94   -38.3065    67.4490   -66.5558	C.3	1	noname	0.0970
292	C95   -36.0969    74.0551   -64.4250	C.3	1	noname	0.0970
293	C96   -58.0470    94.6340   -74.3659	C.2	1	noname	0.0497
294	C97   -58.3708    95.2446   -73.0423	C.3	1	noname	0.1135
295	C98   -40.3160    71.7999   -67.1835	C.2	1	noname	-0.0567
296	C99   -42.0221    72.6767   -65.6920	C.2	1	noname	-0.0567
297	C100   -64.8473    66.5527   -67.4798	C.3	1	noname	-0.0627
298	C101   -65.1999    64.2352   -66.5083	C.3	1	noname	-0.0627
299	C102   -58.4042    66.9508   -63.7719	C.2	1	noname	-0.0312
300	C103   -58.8377    65.1620   -62.1848	C.2	1	noname	-0.0312
301	C104   -37.8954    65.9437   -66.6263	C.3	1	noname	0.0577
302	C105   -58.1191    66.3179   -62.5470	C.2	1	noname	-0.0019
303	C106   -34.8855    75.0396   -64.3690	C.3	1	noname	0.0577
304	C107   -62.5479    63.1537   -72.2439	C.3	1	noname	0.1004
305	C108   -59.0815    96.6341   -73.1750	C.3	1	noname	0.0755
306	C109   -35.6622    72.6171   -64.3637	C.2	1	noname	0.0487
307	C110   -39.5911    72.9990   -67.0703	C.2	1	noname	-0.0604
308	C111   -41.3159    73.8914   -65.6098	C.2	1	noname	-0.0604
309	C112   -40.0976    74.0515   -66.2902	C.2	1	noname	-0.0616
310	C113   -63.4829    62.6375   -73.3271	C.3	1	noname	-0.0195
311	C114   -37.1937    69.5432   -65.8218	C.2	1	noname	0.0478
312	C115   -36.2587    70.2433   -64.9088	C.3	1	noname	0.0766
313	C116   -60.4968    96.5644   -73.7962	C.3	1	noname	-0.0369
314	C117   -36.5694    65.6618   -67.2237	C.2	1	noname	0.1358
315	C118   -56.9655    95.5800   -70.9940	C.2	1	noname	0.0501
316	C119   -55.5879    95.6687   -70.4235	C.3	1	noname	0.0901
317	C120   -35.1957    76.4913   -64.4928	C.2	1	noname	0.1358
318	C121   -61.9728    64.4610   -72.6017	C.2	1	noname	0.1440
319	C122   -64.1277    61.2870   -72.9549	C.3	1	noname	0.0230
320	C123   -55.5243    96.0810   -68.9123	C.3	1	noname	-0.0227
321	C124   -54.0445    95.8987   -68.3736	C.3	1	noname	-0.0608
322	C125   -56.0188    97.5402   -68.6933	C.3	1	noname	-0.0608
323	C126   -65.0019    60.8133   -74.0373	C.2	1	noname	0.0325
324	C127   -54.1231    96.4388   -72.3179	C.2	1	noname	0.0498
325	C128   -53.2037    97.5002   -72.7974	C.3	1	noname	0.0976
326	C129   -51.8296    97.3949   -72.0589	C.3	1	noname	0.0280
327	C130   -54.9856    99.1708   -73.3240	C.2	1	noname	0.0495
328	C131   -55.7130   100.4305   -72.9846	C.3	1	noname	0.0882
329	C132   -56.3950   100.2311   -71.6026	C.3	1	noname	-0.0206
330	C133   -56.9834   101.5153   -70.9730	C.3	1	noname	0.0229
331	C134   -57.7605   100.3358   -74.4852	C.2	1	noname	0.0495
332	C135   -48.9718    94.0971   -70.6980	C.3	1	noname	0.0280
333	C136   -58.0965   100.4821   -75.9328	C.3	1	noname	0.0960
334	C137   -47.4882    93.6088   -70.4744	C.3	1	noname	0.0976
335	C138   -57.6129   101.2088   -69.6707	C.2	1	noname	0.0325
336	C139   -59.4889    99.9143   -76.3421	C.3	1	noname	0.0452
337	C140   -47.3319    92.5577   -69.4304	C.2	1	noname	0.0489
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341	C144   -59.8708   100.0729   -77.7657	C.2	1	noname	0.0335
342	C145   -46.9424    92.1319   -73.9790	C.3	1	noname	0.0901
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356	C159   -56.1849    98.4485   -81.9709	C.3	1	noname	-0.0195
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404	C207   -51.2853    91.0012   -81.7068	C.3	1	noname	0.0883
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411	C214   -47.9295    90.4122   -79.8281	C.3	1	noname	0.0976
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480	C283   -38.1526    96.3573   -75.3828	C.2	1	noname	-0.0475
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485	H1   -45.5916    83.9658   -65.8242	H	1	noname	0.0568
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518	H34   -52.2435    86.5096   -74.7351	H	1	noname	0.1319
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521	H37   -41.4585    83.9340   -63.9497	H	1	noname	0.0292
522	H38   -49.6703    65.9915   -63.0352	H	1	noname	0.0321
523	H39   -47.2095    79.2655   -73.2580	H	1	noname	0.0425
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528	H44   -48.0346    65.0932   -61.4053	H	1	noname	0.0267
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530	H46   -40.0672    81.5352   -62.6712	H	1	noname	0.0361
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533	H49   -53.1667    83.6873   -75.1594	H	1	noname	0.2105
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536	H52   -51.1519    63.9749   -62.9983	H	1	noname	0.0234
537	H53   -49.8078    62.9178   -62.7888	H	1	noname	0.0234
538	H54   -55.0243    61.7860   -64.4465	H	1	noname	0.0566
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543	H59   -52.6374    88.8334   -74.5286	H	1	noname	0.0529
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563	H79   -39.5087    85.0740   -63.4738	H	1	noname	0.1271
564	H80   -38.7914    85.3983   -61.9913	H	1	noname	0.1271
565	H81   -42.4711    78.1854   -61.9286	H	1	noname	0.1319
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632	H148   -37.9077    65.5071   -65.6249	H	1	noname	0.0394
633	H149   -34.3814    74.8854   -63.4112	H	1	noname	0.0394
634	H150   -34.1887    74.7555   -65.1587	H	1	noname	0.0394
635	H151   -36.8587    67.6984   -65.0972	H	1	noname	0.1318
636	H152   -61.7273    62.4419   -72.1170	H	1	noname	0.0578
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638	H154   -39.5945    71.9920   -60.0152	H	1	noname	0.1271
639	H155   -39.8923    70.4145   -60.5024	H	1	noname	0.1271
640	H156   -38.6999    73.1048   -67.5593	H	1	noname	0.0622
641	H157   -41.6765    74.6486   -65.0280	H	1	noname	0.0622
642	H158   -56.3298    95.2384   -72.8412	H	1	noname	0.1319
643	H159   -39.5749    74.9249   -66.2053	H	1	noname	0.0622
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648	H164   -37.1019    72.0037   -65.5874	H	1	noname	0.1316
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657	H173   -59.7804    96.7602   -71.3754	H	1	noname	0.2105
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659	H175   -55.9685    97.8092   -67.6395	H	1	noname	0.0234
660	H176   -57.0459    97.6575   -69.0445	H	1	noname	0.0234
661	H177   -54.0246    96.2932   -67.3156	H	1	noname	0.0234
662	H178   -53.5726    94.8489   -68.5529	H	1	noname	0.0234
663	H179   -53.4077    96.5862   -68.9233	H	1	noname	0.0234
664	H180   -55.3931    98.2469   -69.2359	H	1	noname	0.0234
665	H181   -35.4577    64.1311   -67.9690	H	1	noname	0.2213
666	H182   -36.1462    77.9711   -65.5130	H	1	noname	0.2213
667	H183   -61.0152    66.0372   -71.8104	H	1	noname	0.2213
668	H184   -53.0140    97.3396   -73.8611	H	1	noname	0.0575
669	H185   -64.6828    62.3749   -75.2688	H	1	noname	0.1271
670	H186   -65.7282    61.2239   -75.8816	H	1	noname	0.1271
671	H187   -51.9737    97.5496   -70.9877	H	1	noname	0.0410
672	H188   -51.1666    98.1781   -72.4330	H	1	noname	0.0410
673	H189   -53.4629    99.4137   -72.0130	H	1	noname	0.1319
674	H190   -54.9619   101.2231   -72.8969	H	1	noname	0.0566
675	H191   -55.6469    99.8421   -70.9074	H	1	noname	0.0292
676	H192   -57.1844    99.4797   -71.6844	H	1	noname	0.0292
677	H193   -56.2118   101.5552   -74.6329	H	1	noname	0.1318
678	H194   -57.7265   101.9494   -71.6464	H	1	noname	0.0361
679	H195   -56.1877   102.2503   -70.8249	H	1	noname	0.0361
680	H196   -49.5459    94.0193   -69.7721	H	1	noname	0.0410
681	H197   -49.4402    93.4502   -71.4352	H	1	noname	0.0410
682	H198   -58.0820   101.5458   -76.1855	H	1	noname	0.0571
683	H199   -46.9342    94.4678   -70.0923	H	1	noname	0.0575
684	H200   -59.5401    98.8530   -76.0804	H	1	noname	0.0382
685	H201   -60.2425   100.4387   -75.7547	H	1	noname	0.0382
686	H202   -57.2617    98.8357   -76.8618	H	1	noname	0.1319
687	H203   -46.5518    94.0884   -72.2028	H	1	noname	0.1319
688	H204   -55.9390   100.5295   -68.7700	H	1	noname	0.1271
689	H205   -57.3177   100.4782   -67.8143	H	1	noname	0.1271
690	H206   -55.0753    98.2227   -76.8931	H	1	noname	0.0566
691	H207   -46.1482    91.4589   -74.3134	H	1	noname	0.0569
692	H208   -53.6016    99.7413   -75.4909	H	1	noname	0.0287
693	H209   -53.2032   100.5401   -77.0083	H	1	noname	0.0287
694	H210   -45.3144    92.5102   -69.4372	H	1	noname	0.1316
695	H211   -45.6900    93.9037   -74.3862	H	1	noname	0.0318
696	H212   -52.6360    97.6225   -76.3129	H	1	noname	0.0268
697	H213   -52.1203    98.4258   -77.8095	H	1	noname	0.0268
698	H214   -53.7353    99.4402   -79.0115	H	1	noname	0.1318
699	H215   -48.9508    92.3098   -74.5444	H	1	noname	0.1319
700	H216   -46.1838    92.0644   -66.9364	H	1	noname	0.0529
701	H217   -46.6648    90.5725   -67.7693	H	1	noname	0.0529
702	H218   -59.9028   102.0858   -77.7679	H	1	noname	0.1271
703	H219   -60.3771   101.3817   -79.2154	H	1	noname	0.1271
704	H220   -46.5798    94.1284   -76.7841	H	1	noname	0.0234
705	H221   -47.5129    95.4721   -74.8612	H	1	noname	0.0234
706	H222   -48.6780    94.0985   -74.5236	H	1	noname	0.0234
707	H223   -47.8088    94.8050   -73.3305	H	1	noname	0.0234
708	H224   -47.3786    92.5575   -76.6067	H	1	noname	0.0234
709	H225   -45.6486    92.6474   -76.5047	H	1	noname	0.0234
710	H226   -51.1971    99.1701   -74.9807	H	1	noname	0.0279
711	H227   -50.2193    98.3350   -76.1800	H	1	noname	0.0279
712	H228   -54.3486    99.3412   -81.2254	H	1	noname	0.0566
713	H229   -50.6441    90.7983   -75.0282	H	1	noname	0.0571
714	H230   -51.2258   101.2037   -76.4863	H	1	noname	0.0425
715	H231   -50.3658   100.2729   -77.7309	H	1	noname	0.0425
716	H232   -56.8132    99.3320   -81.8007	H	1	noname	0.0293
717	H233   -56.7778    97.5526   -81.7530	H	1	noname	0.0293
718	H234   -45.0801    90.6330   -65.6110	H	1	noname	0.1318
719	H235   -51.3225    89.2717   -72.9833	H	1	noname	0.0382
720	H236   -49.7003    89.0244   -72.7069	H	1	noname	0.0382
721	H237   -54.8075    96.4727   -81.1856	H	1	noname	0.1318
722	H238   -42.4445    89.6665   -66.3834	H	1	noname	0.0566
723	H239   -49.9475    87.9378   -74.9259	H	1	noname	0.1319
724	H240   -55.2162    99.3083   -83.7248	H	1	noname	0.0373
725	H241   -55.1649    97.5387   -83.6874	H	1	noname	0.0373
726	H242   -49.0811   101.7411   -76.3981	H	1	noname	0.1184
727	H243   -49.5444   100.9788   -75.0176	H	1	noname	0.1184
728	H244   -43.9124    89.7784   -63.6901	H	1	noname	0.0292
729	H245   -42.2387    89.2322   -63.9514	H	1	noname	0.0292
730	H246   -41.5384    91.4947   -64.5915	H	1	noname	0.0361
731	H247   -43.1897    92.1103   -64.3945	H	1	noname	0.0361
732	H248   -51.1810    86.6433   -76.8908	H	1	noname	0.0590
733	H249   -53.4029    95.1824   -79.8064	H	1	noname	0.0529
734	H250   -52.5741    95.1573   -81.3852	H	1	noname	0.0529
735	H251   -41.9766    87.3649   -66.1443	H	1	noname	0.1316
736	H252   -49.2412    85.9028   -78.2163	H	1	noname	0.0585
737	H253   -48.6038    87.5440   -78.2604	H	1	noname	0.0585
738	H254   -49.2068    90.2357   -70.9431	H	1	noname	0.1271
739	H255   -49.9038    91.6881   -70.5112	H	1	noname	0.1271
740	H256   -50.6210    87.9089   -79.4630	H	1	noname	0.1319
741	H257   -50.7963    96.2656   -79.6291	H	1	noname	0.1316
742	H258   -44.2939    85.6358   -66.1972	H	1	noname	0.0529
743	H259   -43.0977    85.4129   -64.9270	H	1	noname	0.0529
744	H260   -57.5280    98.6636   -86.2797	H	1	noname	0.2213
745	H261   -39.4631    89.0903   -76.4454	H	1	noname	0.0321
746	H262   -40.9822    90.3463   -74.4367	H	1	noname	0.0569
747	H263   -49.1420    93.2433   -78.8899	H	1	noname	0.0571
748	H264   -42.7899    89.8636   -61.7905	H	1	noname	0.1271
749	H265   -42.2432    90.9968   -60.6846	H	1	noname	0.1271
750	H266   -47.6643    86.2840   -76.6094	H	1	noname	0.2101
751	H267   -43.5203    93.4708   -75.0082	H	1	noname	0.0566
752	H268   -38.5332    91.5249   -74.8465	H	1	noname	0.0267
753	H269   -37.4937    90.3512   -75.6613	H	1	noname	0.0267
754	H270   -41.0340    95.1879   -74.7346	H	1	noname	0.0290
755	H271   -42.6703    95.7502   -74.4448	H	1	noname	0.0290
756	H272   -54.1336    88.0955   -80.2666	H	1	noname	0.0529
757	H273   -52.7965    87.3507   -81.1410	H	1	noname	0.0529
758	H274   -41.2435    93.5712   -72.7732	H	1	noname	0.0298
759	H275   -38.3262    90.8075   -77.7640	H	1	noname	0.0234
760	H276   -39.4682    92.0488   -77.1748	H	1	noname	0.0234
761	H277   -40.0170    90.6705   -78.1112	H	1	noname	0.0234
762	H278   -41.5999    88.5284   -76.5441	H	1	noname	0.1319
763	H279   -40.8532    92.7114   -74.8188	H	1	noname	0.1318
764	H280   -43.9591    84.5984   -68.1251	H	1	noname	0.1318
765	H281   -41.3800    83.8188   -69.0699	H	1	noname	0.0571
766	H282   -48.9285    94.1054   -76.6393	H	1	noname	0.0394
767	H283   -50.4884    93.4359   -76.7625	H	1	noname	0.0394
768	H284   -42.5687    86.5269   -75.5400	H	1	noname	0.0575
769	H285   -48.3101    95.7645   -78.3175	H	1	noname	0.1319
770	H286   -37.5350    89.8769   -73.2827	H	1	noname	0.0230
771	H287   -38.2312    88.5346   -74.2218	H	1	noname	0.0230
772	H288   -39.2996    89.6496   -73.3367	H	1	noname	0.0230
773	H289   -44.1813    84.3086   -72.5692	H	1	noname	0.0566
774	H290   -43.1284    93.7688   -71.2076	H	1	noname	0.0233
775	H291   -43.7126    93.2345   -72.8019	H	1	noname	0.0233
776	H292   -43.9393    94.9246   -72.2916	H	1	noname	0.0233
777	H293   -41.2658    95.2246   -70.9621	H	1	noname	0.0233
778	H294   -40.3280    95.8169   -72.3542	H	1	noname	0.0233
779	H295   -41.9692    96.4387   -72.0574	H	1	noname	0.0233
780	H296   -52.1784    89.7833   -79.7381	H	1	noname	0.1316
781	H297   -45.7616    84.9106   -70.8631	H	1	noname	0.0287
782	H298   -45.9234    85.9883   -72.2232	H	1	noname	0.0287
783	H299   -41.8425    81.9893   -67.4453	H	1	noname	0.0382
784	H300   -43.3429    81.6375   -68.2211	H	1	noname	0.0382
785	H301   -44.8998    86.2721   -74.1585	H	1	noname	0.1319
786	H302   -42.6062    85.5470   -70.4339	H	1	noname	0.1318
787	H303   -43.7464    87.4283   -77.3306	H	1	noname	0.0410
788	H304   -44.8651    86.3961   -76.5443	H	1	noname	0.0410
789	H305   -44.4571    86.7379   -69.6647	H	1	noname	0.0268
790	H306   -44.7169    87.7562   -71.0885	H	1	noname	0.0268
791	H307   -47.4721    97.3335   -79.9519	H	1	noname	0.0590
792	H308   -44.6199    94.9030   -76.4402	H	1	noname	0.1316
793	H309   -51.6959    91.7187   -81.0056	H	1	noname	0.0566
794	H310   -43.4233    96.0868   -78.6992	H	1	noname	0.0529
795	H311   -43.9413    94.5789   -79.1462	H	1	noname	0.0529
796	H312   -46.3458    88.1950   -69.1953	H	1	noname	0.0279
797	H313   -46.9539    86.5790   -69.3476	H	1	noname	0.0279
798	H314   -45.2517    95.6725   -80.6277	H	1	noname	0.1319
799	H315   -50.5858    92.7078   -82.8383	H	1	noname	0.0293
800	H316   -52.1656    92.1400   -83.3179	H	1	noname	0.0293
801	H317   -46.1973    97.6180   -81.9998	H	1	noname	0.0585
802	H318   -46.6230    95.9646   -82.5128	H	1	noname	0.0585
803	H319   -49.4127    90.1775   -81.9906	H	1	noname	0.1318
804	H320   -47.7594    89.4632   -80.3385	H	1	noname	0.0575
805	H321   -47.0066    88.7507   -71.5088	H	1	noname	0.0425
806	H322   -47.5719    87.0718   -71.7617	H	1	noname	0.0425
807	H323   -48.2070    89.4243   -77.9095	H	1	noname	0.0410
808	H324   -47.5635    91.0221   -77.7590	H	1	noname	0.0410
809	H325   -46.5165    93.6339   -81.9638	H	1	noname	0.0566
810	H326   -45.5305    91.8831   -84.2735	H	1	noname	0.0290
811	H327   -45.5241    93.6214   -84.2122	H	1	noname	0.0290
812	H328   -49.5876    90.6511   -83.9271	H	1	noname	0.0373
813	H329   -51.1490    90.1236   -84.3963	H	1	noname	0.0373
814	H330   -46.7527    92.1406   -79.7511	H	1	noname	0.1319
815	H331   -48.0642    91.9733   -84.2677	H	1	noname	0.0298
816	H332   -50.2705    96.5748   -74.7358	H	1	noname	0.2213
817	H333   -41.1312    82.3049   -70.7980	H	1	noname	0.1271
818	H334   -40.7444    80.6981   -71.0714	H	1	noname	0.1271
819	H335   -44.1921    92.2717   -81.3907	H	1	noname	0.1318
820	H336   -48.5895    88.9502   -69.7543	H	1	noname	0.1184
821	H337   -49.1110    87.3824   -69.9892	H	1	noname	0.1184
822	H338   -48.0045    97.5607   -83.4583	H	1	noname	0.2101
823	H339   -42.3313    94.7069   -80.9928	H	1	noname	0.0575
824	H340   -48.2060    92.8311   -86.5885	H	1	noname	0.0233
825	H341   -46.7482    91.8382   -86.3488	H	1	noname	0.0233
826	H342   -46.6190    93.6129   -86.3918	H	1	noname	0.0233
827	H343   -49.1524    94.1408   -84.7551	H	1	noname	0.0233
828	H344   -48.3414    94.2062   -83.1720	H	1	noname	0.0233
829	H345   -47.5895    94.9764   -84.5896	H	1	noname	0.0233
830	H346   -39.6973    90.9631   -80.1393	H	1	noname	0.0566
831	H347   -38.7747    91.8894   -82.2188	H	1	noname	0.0290
832	H348   -39.9888    91.0135   -83.0872	H	1	noname	0.0290
833	H349   -39.0720    88.8400   -82.2445	H	1	noname	0.0298
834	H350   -41.9059    92.2962   -82.6396	H	1	noname	0.1319
835	H351   -42.0909    95.8561   -83.3287	H	1	noname	0.0410
836	H352   -41.3910    94.4036   -83.8724	H	1	noname	0.0410
837	H353   -41.2913    89.4578   -81.8548	H	1	noname	0.1318
838	H354   -36.8473    88.7636   -81.2017	H	1	noname	0.0233
839	H355   -36.9599    88.8819   -83.5415	H	1	noname	0.0233
840	H356   -38.0106    89.6047   -80.1493	H	1	noname	0.0233
841	H357   -36.8256    90.5400   -81.0922	H	1	noname	0.0233
842	H358   -38.2411    89.7738   -84.3967	H	1	noname	0.0233
843	H359   -36.9752    90.6616   -83.5149	H	1	noname	0.0233
844	H360   -42.7966    87.6467   -79.0780	H	1	noname	0.0571
845	H361   -50.0540    91.4760   -87.4045	H	1	noname	0.2213
846	H362   -42.0485    86.0451   -80.8504	H	1	noname	0.0382
847	H363   -41.2569    87.3167   -81.7032	H	1	noname	0.0382
848	H364   -43.7173    88.8881   -81.4644	H	1	noname	0.1319
849	H365   -46.1872    88.4580   -81.7780	H	1	noname	0.0566
850	H366   -47.3729    86.3696   -81.3169	H	1	noname	0.0292
851	H367   -46.3471    85.4974   -82.4568	H	1	noname	0.0292
852	H368   -38.1268    97.9814   -83.5224	H	1	noname	0.0410
853	H369   -37.8356    97.7513   -85.2377	H	1	noname	0.0410
854	H370   -36.1067    96.5999   -83.0883	H	1	noname	0.0575
855	H371   -44.5589    86.8225   -83.6307	H	1	noname	0.1318
856	H372   -48.2231    87.7700   -83.2043	H	1	noname	0.0361
857	H373   -47.0861    86.8777   -84.2780	H	1	noname	0.0361
858	H374   -35.4956    98.8941   -84.8319	H	1	noname	0.1319
859	H375   -34.3734    93.3053   -85.4768	H	1	noname	0.0593
860	H376   -34.3475    95.2261   -83.8776	H	1	noname	0.1319
861	H377   -40.5857    88.0303   -78.4372	H	1	noname	0.1271
862	H378   -39.1239    87.2134   -78.3837	H	1	noname	0.1271
863	H379   -35.2205   101.0134   -83.5009	H	1	noname	0.0571
864	H380   -35.7768    92.0088   -83.7280	H	1	noname	0.0619
865	H381   -43.6241    88.4342   -85.6225	H	1	noname	0.0529
866	H382   -42.4920    88.2220   -84.3977	H	1	noname	0.0529
867	H383   -38.1268    92.8272   -87.8238	H	1	noname	0.0566
868	H384   -36.2607    91.5024   -86.0352	H	1	noname	0.1318
869	H385   -33.2047    99.9911   -84.4898	H	1	noname	0.0394
870	H386   -32.5479    99.7894   -82.8424	H	1	noname	0.0394
871	H387   -33.7037   100.7379   -81.0263	H	1	noname	0.1319
872	H388   -36.1870   102.6543   -79.1730	H	1	noname	0.0593
873	H389   -38.7749    90.5276   -88.4260	H	1	noname	0.0293
874	H390   -37.7298    89.8778   -87.1766	H	1	noname	0.0293
875	H391   -33.4011    92.4518   -83.2239	H	1	noname	0.0257
876	H392   -34.4465    92.3826   -81.7850	H	1	noname	0.0257
877	H393   -33.8888    93.9551   -82.4051	H	1	noname	0.0257
878	H394   -41.6119    92.5591   -85.0439	H	1	noname	0.0590
879	H395   -43.2788    90.9277   -84.3714	H	1	noname	0.1316
880	H396   -33.1721   102.3662   -79.5529	H	1	noname	0.0619
881	H397   -40.4957    92.5484   -87.6639	H	1	noname	0.1319
882	H398   -35.5393    98.1407   -77.9523	H	1	noname	0.0569
883	H399   -36.7645    91.5477   -89.5422	H	1	noname	0.0373
884	H400   -35.7767    90.8641   -88.2080	H	1	noname	0.0373
885	H401   -34.3733   100.6929   -78.2919	H	1	noname	0.1319
886	H402   -47.4691    84.2740   -84.0103	H	1	noname	0.1271
887	H403   -49.0941    83.8666   -84.1173	H	1	noname	0.1271
888	H404   -36.2003    94.6257   -82.6665	H	1	noname	0.2105
889	H405   -43.7540    92.5593   -86.2779	H	1	noname	0.0585
890	H406   -42.8828    92.2610   -87.7871	H	1	noname	0.0585
891	H407   -37.9786    98.1200   -77.3688	H	1	noname	0.0337
892	H408   -37.6287    98.9430   -75.9600	H	1	noname	0.0337
893	H409   -32.4512    97.9772   -77.1078	H	1	noname	0.0593
894	H410   -34.0646   104.0586   -81.0833	H	1	noname	0.0257
895	H411   -34.7862   104.9075   -79.6952	H	1	noname	0.0257
896	H412   -33.0182   104.7404   -79.8150	H	1	noname	0.0257
897	H413   -35.4293    99.6378   -75.4700	H	1	noname	0.1319
898	H414   -31.0688    97.2399   -78.6492	H	1	noname	0.0559
899	H415   -31.2528   100.1051   -76.3586	H	1	noname	0.0619
900	H416   -29.3859    98.6328   -79.4692	H	1	noname	0.0290
901	H417   -29.1936    97.1008   -80.2516	H	1	noname	0.0290
902	H418   -30.6968    99.3018   -81.6803	H	1	noname	0.0298
903	H419   -34.1342    99.0387   -79.1047	H	1	noname	0.1319
904	H420   -34.7105   103.7652   -77.5722	H	1	noname	0.2105
905	H421   -29.7164    98.8597   -77.3009	H	1	noname	0.0257
906	H422   -29.9232    99.7919   -78.8030	H	1	noname	0.0257
907	H423   -29.4794   100.6238   -77.2933	H	1	noname	0.0257
908	H424   -43.3259    94.5227   -87.4465	H	1	noname	0.2101
909	H425   -29.8369    97.9578   -83.6231	H	1	noname	0.0233
910	H426   -30.7590    96.9441   -82.4871	H	1	noname	0.0233
911	H427   -28.6140   100.0056   -82.7715	H	1	noname	0.0233
912	H428   -28.5627   100.3245   -81.0211	H	1	noname	0.0233
913	H429   -27.6803    98.9352   -81.6989	H	1	noname	0.0233
914	H430   -28.9798    96.8917   -82.4842	H	1	noname	0.0233
915	H431   -32.6746   103.5140   -84.5273	H	1	noname	0.2213
916	H432   -39.0806    96.7591   -75.5585	H	1	noname	0.0626
917	H433   -34.8586    96.6716   -76.0428	H	1	noname	0.0626
918	H434   -32.4005    95.8432   -79.8976	H	1	noname	0.1191
919	H435   -31.5060    96.2158   -81.2564	H	1	noname	0.1191
920	H436   -31.0915   101.8511   -77.9201	H	1	noname	0.2105
921	H437   -38.9149    94.7869   -74.2001	H	1	noname	0.0650
922	H438   -34.7605    94.7094   -74.6759	H	1	noname	0.0650
923	H439   -36.5902    87.4541   -89.3304	H	1	noname	0.2213
924	H440   -35.8508    93.1937   -73.4623	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	326	1
3	2	332	1
4	3	4	1
5	3	398	1
6	4	414	1
7	5	6	1
8	5	429	1
9	6	439	1
10	7	207	2
11	8	208	2
12	9	210	2
13	10	211	2
14	215	11	1
15	11	533	1
16	12	222	2
17	13	226	2
18	14	228	2
19	15	231	2
20	16	235	2
21	17	240	2
22	18	241	2
23	19	243	1
24	19	571	1
25	20	245	2
26	21	248	2
27	22	249	2
28	23	254	1
29	23	588	1
30	24	254	2
31	25	255	2
32	26	258	1
33	26	594	1
34	27	258	2
35	28	261	2
36	29	268	1
37	29	609	1
38	30	266	2
39	31	267	2
40	32	268	2
41	33	273	1
42	33	615	1
43	34	272	2
44	35	275	1
45	35	617	1
46	36	273	2
47	37	275	2
48	38	281	2
49	39	286	2
50	40	289	2
51	41	290	2
52	42	293	2
53	43	302	1
54	43	655	1
55	305	44	1
56	44	657	1
57	45	306	2
58	46	311	2
59	47	314	1
60	47	665	1
61	48	317	1
62	48	666	1
63	49	318	1
64	49	667	1
65	50	314	2
66	51	315	2
67	52	317	2
68	53	318	2
69	54	323	2
70	55	324	2
71	56	327	2
72	57	331	2
73	58	335	2
74	59	337	2
75	60	338	2
76	61	340	2
77	62	341	2
78	63	350	2
79	64	351	2
80	65	353	2
81	66	361	2
82	67	362	2
83	68	363	2
84	69	364	2
85	70	367	1
86	70	744	1
87	71	367	2
88	72	369	1
89	72	750	1
90	73	370	2
91	74	372	2
92	75	373	2
93	76	376	2
94	77	382	2
95	78	388	2
96	79	391	2
97	80	395	2
98	81	397	2
99	82	399	2
100	83	403	1
101	83	816	1
102	84	402	2
103	85	403	2
104	86	410	1
105	86	822	1
106	87	407	2
107	88	409	2
108	89	413	2
109	90	419	2
110	91	426	1
111	91	845	1
112	92	424	2
113	93	426	2
114	94	428	2
115	95	433	2
116	96	436	2
117	97	438	2
118	98	442	2
119	447	99	1
120	99	888	1
121	100	444	2
122	101	446	2
123	102	448	2
124	103	450	2
125	459	104	1
126	104	904	1
127	105	457	2
128	106	458	2
129	107	460	2
130	108	464	1
131	108	908	1
132	109	465	1
133	109	915	1
134	110	463	2
135	111	465	2
136	470	112	1
137	112	920	1
138	113	469	2
139	114	475	1
140	114	923	1
141	115	475	2
142	116	476	2
143	117	484	1
144	117	924	1
145	118	198	1
146	118	202	1
147	118	207	1
148	119	199	1
149	119	205	1
150	119	211	1
151	206	120	1
152	120	208	1
153	120	502	1
154	121	210	1
155	216	121	1
156	121	506	1
157	122	214	1
158	122	219	1
159	122	222	1
160	212	123	1
161	123	231	1
162	123	518	1
163	221	124	1
164	124	235	1
165	124	532	1
166	125	226	1
167	233	125	1
168	125	534	1
169	126	228	1
170	236	126	1
171	126	539	1
172	127	225	1
173	127	540	1
174	127	541	1
175	128	234	1
176	128	248	1
177	128	553	1
178	239	129	1
179	129	249	1
180	129	558	1
181	130	241	1
182	246	130	1
183	130	559	1
184	131	240	1
185	131	563	1
186	131	564	1
187	132	245	1
188	252	132	1
189	132	565	1
190	250	133	1
191	133	267	1
192	133	580	1
193	253	134	1
194	134	266	1
195	134	581	1
196	135	255	1
197	263	135	1
198	135	582	1
199	136	261	1
200	271	136	1
201	136	589	1
202	137	265	1
203	137	283	2
204	138	272	1
205	280	138	1
206	138	602	1
207	270	139	1
208	139	286	1
209	139	604	1
210	140	276	1
211	140	283	1
212	140	605	1
213	141	274	1
214	141	293	1
215	141	610	1
216	142	281	1
217	292	142	1
218	142	614	1
219	143	289	1
220	304	143	1
221	143	630	1
222	291	144	1
223	144	311	1
224	144	635	1
225	145	290	1
226	145	638	1
227	145	639	1
228	294	146	1
229	146	315	1
230	146	642	1
231	147	306	1
232	147	312	1
233	147	648	1
234	316	148	1
235	148	324	1
236	148	658	1
237	149	323	1
238	149	669	1
239	149	670	1
240	150	325	1
241	150	327	1
242	150	673	1
243	151	328	1
244	151	331	1
245	151	677	1
246	152	333	1
247	152	338	1
248	152	686	1
249	153	334	1
250	153	340	1
251	153	687	1
252	154	335	1
253	154	688	1
254	154	689	1
255	155	337	1
256	155	346	1
257	155	694	1
258	156	339	1
259	156	350	1
260	156	698	1
261	157	342	1
262	157	351	1
263	157	699	1
264	158	341	1
265	158	702	1
266	158	703	1
267	159	353	1
268	159	358	1
269	159	718	1
270	160	352	1
271	160	361	1
272	160	721	1
273	161	354	1
274	161	362	1
275	161	723	1
276	162	355	1
277	162	726	1
278	162	727	1
279	163	364	1
280	163	371	1
281	163	735	1
282	164	363	1
283	164	738	1
284	164	739	1
285	165	366	1
286	165	373	1
287	165	740	1
288	166	368	1
289	166	372	1
290	166	741	1
291	167	370	1
292	167	748	1
293	167	749	1
294	168	375	1
295	168	388	1
296	168	762	1
297	169	378	1
298	169	382	1
299	169	763	1
300	170	376	1
301	170	385	1
302	170	764	1
303	171	377	1
304	171	399	1
305	171	769	1
306	172	381	1
307	172	402	1
308	172	780	1
309	173	387	1
310	173	397	1
311	173	785	1
312	174	389	1
313	174	395	1
314	174	786	1
315	175	391	1
316	175	405	1
317	175	792	1
318	176	401	1
319	176	409	1
320	176	798	1
321	177	404	1
322	177	413	1
323	177	803	1
324	411	178	1
325	178	419	1
326	178	814	1
327	179	407	1
328	179	817	1
329	179	818	1
330	415	180	1
331	180	424	1
332	180	819	1
333	181	412	1
334	181	820	1
335	181	821	1
336	182	420	1
337	182	428	1
338	182	834	1
339	183	423	1
340	183	433	1
341	183	837	1
342	184	432	1
343	184	436	1
344	184	848	1
345	185	435	1
346	185	444	1
347	185	855	1
348	440	186	1
349	186	446	1
350	186	858	1
351	187	442	1
352	187	443	1
353	187	860	1
354	188	438	1
355	188	861	1
356	188	862	1
357	189	450	1
358	189	451	1
359	189	868	1
360	445	190	1
361	190	457	1
362	190	871	1
363	191	449	1
364	191	460	1
365	191	879	1
366	192	456	1
367	192	458	1
368	192	881	1
369	453	193	1
370	193	463	1
371	193	885	1
372	194	448	1
373	194	886	1
374	194	887	1
375	461	195	1
376	195	469	1
377	195	897	1
378	467	196	1
379	196	476	1
380	196	903	1
381	471	197	1
382	197	918	1
383	197	919	1
384	198	200	1
385	198	210	1
386	198	485	1
387	199	201	1
388	199	208	1
389	199	486	1
390	200	203	1
391	200	487	1
392	200	488	1
393	201	204	1
394	201	489	1
395	201	490	1
396	202	203	1
397	202	491	1
398	202	492	1
399	203	493	1
400	203	494	1
401	204	205	1
402	204	495	1
403	204	496	1
404	205	497	1
405	205	498	1
406	206	207	1
407	206	209	1
408	206	499	1
409	209	213	1
410	209	500	1
411	209	501	1
412	211	212	1
413	212	215	1
414	212	503	1
415	213	217	1
416	213	504	1
417	213	505	1
418	214	218	1
419	214	226	1
420	214	507	1
421	215	227	1
422	215	508	1
423	216	223	1
424	216	228	1
425	216	509	1
426	217	225	1
427	217	510	1
428	217	511	1
429	218	220	1
430	218	512	1
431	218	513	1
432	219	220	1
433	219	514	1
434	219	515	1
435	220	516	1
436	220	517	1
437	221	222	1
438	221	224	1
439	221	519	1
440	223	230	1
441	223	520	1
442	223	521	1
443	224	229	1
444	224	232	1
445	224	522	1
446	225	523	1
447	225	524	1
448	227	525	1
449	227	526	1
450	227	527	1
451	229	237	1
452	229	528	1
453	229	529	1
454	230	240	1
455	230	530	1
456	230	531	1
457	231	234	1
458	232	535	1
459	232	536	1
460	232	537	1
461	233	238	1
462	233	241	1
463	233	538	1
464	234	542	1
465	234	543	1
466	235	239	1
467	236	243	1
468	236	245	1
469	236	544	1
470	237	545	1
471	237	546	1
472	237	547	1
473	238	244	1
474	238	548	1
475	238	549	1
476	239	242	1
477	239	550	1
478	242	247	1
479	242	551	1
480	242	552	1
481	243	554	1
482	243	555	1
483	244	254	1
484	244	556	1
485	244	557	1
486	246	251	1
487	246	255	1
488	246	560	1
489	247	258	1
490	247	561	1
491	247	562	1
492	248	250	1
493	249	253	1
494	250	256	1
495	250	566	1
496	251	260	1
497	251	567	1
498	251	568	1
499	252	259	1
500	252	261	1
501	252	569	1
502	253	257	1
503	253	570	1
504	256	262	1
505	256	572	1
506	256	573	1
507	257	264	1
508	257	574	1
509	257	575	1
510	259	265	1
511	259	576	1
512	259	577	1
513	260	268	1
514	260	578	1
515	260	579	1
516	262	273	1
517	262	583	1
518	262	584	1
519	263	269	1
520	263	272	1
521	263	585	1
522	264	275	1
523	264	586	1
524	264	587	1
525	265	276	2
526	266	270	1
527	267	274	1
528	269	278	1
529	269	590	1
530	269	591	1
531	270	277	1
532	270	592	1
533	271	279	1
534	271	281	1
535	271	593	1
536	274	595	1
537	274	596	1
538	276	597	1
539	277	284	1
540	277	598	1
541	277	599	1
542	278	287	2
543	278	288	1
544	279	290	1
545	279	600	1
546	279	601	1
547	280	282	1
548	280	289	1
549	280	603	1
550	282	285	1
551	282	606	1
552	282	607	1
553	283	608	1
554	284	295	2
555	284	296	1
556	285	297	1
557	285	298	1
558	285	611	1
559	286	291	1
560	287	299	1
561	287	612	1
562	288	300	2
563	288	613	1
564	291	301	1
565	291	616	1
566	292	303	1
567	292	306	1
568	292	618	1
569	293	294	1
570	294	305	1
571	294	619	1
572	295	307	1
573	295	620	1
574	296	308	2
575	296	621	1
576	297	622	1
577	297	623	1
578	297	624	1
579	298	625	1
580	298	626	1
581	298	627	1
582	299	302	2
583	299	628	1
584	300	302	1
585	300	629	1
586	301	314	1
587	301	631	1
588	301	632	1
589	303	317	1
590	303	633	1
591	303	634	1
592	304	310	1
593	304	318	1
594	304	636	1
595	305	313	1
596	305	637	1
597	307	309	2
598	307	640	1
599	308	309	1
600	308	641	1
601	309	643	1
602	310	319	1
603	310	644	1
604	310	645	1
605	311	312	1
606	312	646	1
607	312	647	1
608	313	649	1
609	313	650	1
610	313	651	1
611	315	316	1
612	316	320	1
613	316	652	1
614	319	323	1
615	319	653	1
616	319	654	1
617	320	321	1
618	320	322	1
619	320	656	1
620	321	661	1
621	321	662	1
622	321	663	1
623	322	659	1
624	322	660	1
625	322	664	1
626	325	324	1
627	325	326	1
628	325	668	1
629	326	671	1
630	326	672	1
631	327	328	1
632	328	329	1
633	328	674	1
634	329	330	1
635	329	675	1
636	329	676	1
637	330	335	1
638	330	678	1
639	330	679	1
640	331	333	1
641	332	334	1
642	332	680	1
643	332	681	1
644	333	336	1
645	333	682	1
646	334	337	1
647	334	683	1
648	336	341	1
649	336	684	1
650	336	685	1
651	338	339	1
652	339	343	1
653	339	690	1
654	340	342	1
655	342	344	1
656	342	691	1
657	343	345	1
658	343	692	1
659	343	693	1
660	344	347	1
661	344	348	1
662	344	695	1
663	345	349	1
664	345	696	1
665	345	697	1
666	346	353	1
667	346	700	1
668	346	701	1
669	347	704	1
670	347	708	1
671	347	709	1
672	348	705	1
673	348	706	1
674	348	707	1
675	349	355	1
676	349	710	1
677	349	711	1
678	350	352	1
679	351	354	1
680	352	356	1
681	352	712	1
682	354	357	1
683	354	713	1
684	355	714	1
685	355	715	1
686	356	359	1
687	356	716	1
688	356	717	1
689	357	363	1
690	357	719	1
691	357	720	1
692	358	360	1
693	358	364	1
694	358	722	1
695	359	367	1
696	359	724	1
697	359	725	1
698	360	365	1
699	360	728	1
700	360	729	1
701	361	368	1
702	362	366	1
703	365	370	1
704	365	730	1
705	365	731	1
706	366	369	1
707	366	732	1
708	368	733	1
709	368	734	1
710	369	736	1
711	369	737	1
712	371	376	1
713	371	742	1
714	371	743	1
715	372	377	1
716	373	381	1
717	374	375	1
718	374	379	1
719	374	384	1
720	374	745	1
721	375	382	1
722	375	746	1
723	377	386	1
724	377	747	1
725	378	380	1
726	378	391	1
727	378	751	1
728	379	390	1
729	379	752	1
730	379	753	1
731	380	383	1
732	380	754	1
733	380	755	1
734	381	756	1
735	381	757	1
736	383	392	1
737	383	393	1
738	383	758	1
739	384	759	1
740	384	760	1
741	384	761	1
742	385	395	1
743	385	396	1
744	385	765	1
745	386	403	1
746	386	766	1
747	386	767	1
748	387	388	1
749	387	398	1
750	387	768	1
751	389	394	1
752	389	397	1
753	389	773	1
754	390	770	1
755	390	771	1
756	390	772	1
757	392	777	1
758	392	778	1
759	392	779	1
760	393	774	1
761	393	775	1
762	393	776	1
763	394	400	1
764	394	781	1
765	394	782	1
766	396	407	1
767	396	783	1
768	396	784	1
769	398	787	1
770	398	788	1
771	399	401	1
772	400	406	1
773	400	789	1
774	400	790	1
775	401	410	1
776	401	791	1
777	402	404	1
778	404	408	1
779	404	793	1
780	405	409	1
781	405	794	1
782	405	795	1
783	406	412	1
784	406	796	1
785	406	797	1
786	408	416	1
787	408	799	1
788	408	800	1
789	410	801	1
790	410	802	1
791	411	413	1
792	411	414	1
793	411	804	1
794	412	805	1
795	412	806	1
796	414	807	1
797	414	808	1
798	415	417	1
799	415	419	1
800	415	809	1
801	416	426	1
802	416	812	1
803	416	813	1
804	417	418	1
805	417	810	1
806	417	811	1
807	418	421	1
808	418	422	1
809	418	815	1
810	420	424	1
811	420	429	1
812	420	823	1
813	421	824	1
814	421	825	1
815	421	826	1
816	422	827	1
817	422	828	1
818	422	829	1
819	423	425	1
820	423	428	1
821	423	830	1
822	425	427	1
823	425	831	1
824	425	832	1
825	427	430	1
826	427	431	1
827	427	833	1
828	429	835	1
829	429	836	1
830	430	838	1
831	430	840	1
832	430	841	1
833	431	839	1
834	431	842	1
835	431	843	1
836	432	433	1
837	432	434	1
838	432	844	1
839	434	438	1
840	434	846	1
841	434	847	1
842	435	436	1
843	435	437	1
844	435	849	1
845	437	441	1
846	437	850	1
847	437	851	1
848	439	440	1
849	439	852	1
850	439	853	1
851	440	442	1
852	440	854	1
853	441	448	1
854	441	856	1
855	441	857	1
856	443	447	1
857	443	450	1
858	443	859	1
859	444	449	1
860	445	446	1
861	445	452	1
862	445	863	1
863	447	455	1
864	447	864	1
865	449	865	1
866	449	866	1
867	451	454	1
868	451	458	1
869	451	867	1
870	452	465	1
871	452	869	1
872	452	870	1
873	453	457	1
874	453	459	1
875	453	872	1
876	454	462	1
877	454	873	1
878	454	874	1
879	455	875	1
880	455	876	1
881	455	877	1
882	456	460	1
883	456	464	1
884	456	878	1
885	459	468	1
886	459	880	1
887	461	463	1
888	461	466	1
889	461	882	1
890	462	475	1
891	462	883	1
892	462	884	1
893	464	889	1
894	464	890	1
895	466	474	1
896	466	891	1
897	466	892	1
898	467	469	1
899	467	470	1
900	467	893	1
901	468	894	1
902	468	895	1
903	468	896	1
904	470	477	1
905	470	899	1
906	471	472	1
907	471	476	1
908	471	898	1
909	472	473	1
910	472	900	1
911	472	901	1
912	473	478	1
913	473	479	1
914	473	902	1
915	474	480	2
916	474	481	1
917	477	905	1
918	477	906	1
919	477	907	1
920	478	911	1
921	478	912	1
922	478	913	1
923	479	909	1
924	479	910	1
925	479	914	1
926	480	482	1
927	480	916	1
928	481	483	2
929	481	917	1
930	482	484	2
931	482	921	1
932	483	484	1
933	483	922	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
