@<TRIPOS>MOLECULE
91866846
780 831 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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221	N62   -40.6045    19.1266    18.8191	N.3	1	noname	0.0797
222	N63   -40.3265    25.0716     7.3993	N.3	1	noname	0.0797
223	N64   -33.0010    40.9092    -6.2579	N.2	1	noname	-0.1588
224	N65   -51.3687    23.3451    13.8505	N.3	1	noname	0.0797
225	N66   -41.2487    33.3803    -7.9923	N.3	1	noname	0.0507
226	N67   -49.9863    36.5511     3.4262	N.3	1	noname	0.0507
227	N68   -43.6016    45.4526   -17.0600	N.3	1	noname	-0.1233
228	N69   -35.1641    40.4993     4.6913	N.2	1	noname	-0.2576
229	N70   -44.7774    47.5700    -3.0476	N.2	1	noname	-0.2576
230	N71   -42.4119    15.5930    27.0249	N.3	1	noname	-0.1313
231	N72   -43.3101    32.0181    17.5250	N.2	1	noname	-0.1588
232	N73   -34.5210    39.8458     6.8476	N.3	1	noname	-0.1031
233	N74   -45.9322    47.3448    -1.0214	N.3	1	noname	-0.1031
234	N75   -30.7569    41.5254    -6.2604	N.3	1	noname	-0.1313
235	N76   -40.7965    35.5665    -8.6955	N.3	1	noname	-0.1233
236	N77   -48.4093    37.3392     1.8873	N.3	1	noname	-0.1233
237	N78   -43.7478    34.1384    18.3735	N.3	1	noname	-0.1313
238	C1   -38.3145    53.3865   -17.0752	C.3	1	noname	0.1307
239	C2   -39.2677    53.8322   -15.9485	C.3	1	noname	0.1306
240	C3   -38.1690    54.6985   -17.8989	C.3	1	noname	0.1142
241	C4   -39.0287    55.3392   -15.8635	C.3	1	noname	0.1593
242	C5   -39.1296    54.0269   -23.6228	C.3	1	noname	0.1299
243	C6   -38.4201    52.8358   -24.2643	C.3	1	noname	0.1306
244	C7   -40.5843    53.5427   -23.7638	C.3	1	noname	0.1141
245	C8   -39.3730    52.4419   -25.4198	C.3	1	noname	0.1593
246	C9   -33.3697    17.6647    25.9789	C.3	1	noname	0.1296
247	C10   -30.3979    15.0835    23.7572	C.3	1	noname	0.1299
248	C11   -33.0827    17.3242    27.4594	C.3	1	noname	0.1278
249	C12   -29.3721    14.2751    22.9345	C.3	1	noname	0.1306
250	C13   -34.8869    17.3865    25.9795	C.3	1	noname	0.1138
251	C14   -29.4089    16.0816    24.4355	C.3	1	noname	0.1141
252	C15   -37.7530    48.0128   -18.8057	C.3	1	noname	0.1296
253	C16   -38.6613    54.5374   -19.3505	C.3	1	noname	0.0893
254	C17   -37.1713    49.1190   -19.7110	C.3	1	noname	0.1139
255	C18   -38.3072    47.0653   -19.8923	C.3	1	noname	0.1278
256	C19   -28.3229    14.0961    24.0584	C.3	1	noname	0.1593
257	C20   -33.9773    16.0653    27.6723	C.3	1	noname	0.1517
258	C21   -37.2073    47.1790   -20.9970	C.3	1	noname	0.1517
259	C22   -34.3563    20.3435    21.8021	C.3	1	noname	0.1296
260	C23   -33.6792    19.4330    20.7682	C.3	1	noname	0.1278
261	C24   -41.6091    54.6716   -23.9968	C.3	1	noname	0.0893
262	C25   -33.9662    21.6916    21.1447	C.3	1	noname	0.1138
263	C26   -32.3360    20.1980    20.4300	C.3	1	noname	0.1512
264	C27   -36.1924    50.0956   -19.0292	C.3	1	noname	0.0900
265	C28   -29.9802    17.1814    25.3589	C.3	1	noname	0.0893
266	C29   -35.6316    17.4312    24.6310	C.3	1	noname	0.0893
267	C30   -43.4122    58.5283   -23.3321	C.3	1	noname	0.1295
268	C31   -44.8988    58.1626   -23.0579	C.3	1	noname	0.1278
269	C32   -43.0643    59.1388   -21.9402	C.3	1	noname	0.1126
270	C33   -39.8828    57.4468   -14.9438	C.2	1	noname	0.0402
271	C34   -44.9761    57.8699   -21.5244	C.3	1	noname	0.1517
272	C35   -34.2408    22.9378    21.9903	C.3	1	noname	0.0893
273	C36   -39.4835    51.9624   -14.5027	C.3	1	noname	0.0708
274	C37   -41.2304    55.8099   -14.6966	C.2	1	noname	-0.0199
275	C38   -40.0787    52.9167   -27.7174	C.2	1	noname	0.1238
276	C39   -37.3925    50.6543   -23.6927	C.3	1	noname	0.0708
277	C40   -38.3736    54.0713   -27.0965	C.2	1	noname	-0.0362
278	C41   -32.1688    16.1424    18.5783	C.3	1	noname	0.1126
279	C42   -41.0326    57.9072   -14.3163	C.2	1	noname	0.0955
280	C43   -33.3028    15.3015    17.9558	C.3	1	noname	0.1127
281	C44   -33.4296    15.8539    16.5234	C.3	1	noname	0.1266
282	C45   -27.5023    12.3740    25.5641	C.2	1	noname	0.1238
283	C46   -31.9785    16.3947    16.2686	C.3	1	noname	0.1512
284	C47   -36.2482    49.3617   -14.1020	C.3	1	noname	0.1114
285	C48   -36.3594    48.5100   -12.8281	C.3	1	noname	0.1037
286	C49   -39.6795    53.7386   -28.7601	C.2	1	noname	0.0254
287	C50   -32.9824    18.3649    29.6674	C.3	1	noname	0.0708
288	C51   -43.1525    60.6764   -21.8855	C.3	1	noname	0.0722
289	C52   -28.0419    14.3420    20.8654	C.3	1	noname	0.0708
290	C53   -29.5572    12.0842    24.9953	C.2	1	noname	-0.0362
291	C54   -34.2449    13.7154    28.1719	C.2	1	noname	-0.0472
292	C55   -35.2326    49.1621   -12.0137	C.3	1	noname	0.0207
293	C56   -37.9478    22.9345    24.0205	C.3	1	noname	0.1037
294	C57   -31.6195    15.5026    19.8555	C.3	1	noname	0.0892
295	C58   -40.3424    46.6125   -21.1864	C.3	1	noname	0.0708
296	C59   -35.1771    50.6423   -12.4857	C.3	1	noname	0.1330
297	C60   -35.5052    46.1759   -22.3877	C.2	1	noname	-0.0472
298	C61   -39.2198    51.4159   -13.0661	C.3	1	noname	0.0698
299	C62   -32.0757    14.3625    27.6345	C.2	1	noname	0.1029
300	C63   -39.4654    22.7082    24.1290	C.3	1	noname	0.1114
301	C64   -37.4306    49.2449   -15.1340	C.3	1	noname	0.0892
302	C65   -37.5742    22.9634    25.5073	C.3	1	noname	0.0207
303	C66   -35.9688    45.0435   -20.3827	C.2	1	noname	0.1029
304	C67   -34.4893    19.0313    18.4810	C.3	1	noname	0.0708
305	C68   -38.6252    22.0475    26.1892	C.3	1	noname	0.1330
306	C69   -29.9036    20.5723    20.5949	C.2	1	noname	-0.0370
307	C70   -35.9430    51.1013   -23.9887	C.3	1	noname	0.0698
308	C71   -28.0192    11.2799    26.2365	C.2	1	noname	0.0254
309	C72   -30.7478    18.6720    21.6149	C.2	1	noname	0.0303
310	C73   -41.1182    59.2627   -13.9554	C.2	1	noname	0.0884
311	C74   -33.8075    12.3868    28.3726	C.2	1	noname	-0.0027
312	C75   -34.5390    45.2070   -22.7486	C.2	1	noname	-0.0027
313	C76   -33.4199    19.6208    30.4461	C.3	1	noname	0.0698
314	C77   -27.6405    15.2883    19.7128	C.3	1	noname	0.0698
315	C78   -40.4411    53.7123   -29.9445	C.2	1	noname	0.0729
316	C79   -44.9807    55.7904   -23.6236	C.3	1	noname	0.0708
317	C80   -41.6977    47.2455   -21.5636	C.3	1	noname	0.0698
318	C81   -38.9767    59.5936   -14.9279	C.2	1	noname	-0.0771
319	C82   -28.5762    20.2352    20.9805	C.2	1	noname	0.0438
320	C83   -40.1385    22.3196    22.7876	C.3	1	noname	0.0892
321	C84   -46.2209    57.4584   -19.5099	C.2	1	noname	-0.0472
322	C85   -47.4714    58.3358   -21.3093	C.2	1	noname	0.1029
323	C86   -32.4477    12.1278    28.1216	C.2	1	noname	-0.0324
324	C87   -35.8745    19.0605    17.8790	C.3	1	noname	0.0698
325	C88   -34.3439    44.1386   -21.8511	C.2	1	noname	-0.0324
326	C89   -27.1899    10.5963    27.1345	C.2	1	noname	0.0729
327	C90   -40.3526    46.3483   -11.7537	C.3	1	noname	0.1114
328	C91   -40.7010    45.6969   -10.4017	C.3	1	noname	0.1037
329	C92   -28.4051    19.0247    21.6722	C.2	1	noname	0.0638
330	C93   -41.8328    52.0402   -29.0203	C.2	1	noname	0.0503
331	C94   -42.2119    45.9632   -10.3657	C.3	1	noname	0.0207
332	C95   -42.6480    45.9886   -11.8565	C.3	1	noname	0.1330
333	C96   -34.7506    11.3228    28.7804	C.3	1	noname	-0.0356
334	C97   -47.3499    57.4859   -18.6654	C.2	1	noname	-0.0027
335	C98   -29.9535    16.4797    14.9946	C.2	1	noname	-0.0370
336	C99   -34.5063    17.3229    14.9143	C.3	1	noname	0.0708
337	C100   -31.4501    14.7607    14.3946	C.2	1	noname	0.0303
338	C101   -33.7748    45.3276   -24.0135	C.3	1	noname	-0.0356
339	C102   -35.6033    52.9770   -11.7235	C.2	1	noname	0.1237
340	C103   -45.4971    54.7712   -24.6257	C.3	1	noname	0.0698
341	C104   -38.9856    45.9462   -12.3467	C.3	1	noname	0.0892
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343	C106   -27.4224    21.1072    20.6649	C.3	1	noname	-0.0339
344	C107   -25.4159    12.0922    26.5804	C.2	1	noname	0.0503
345	C108   -35.3706    51.5629   -10.1270	C.2	1	noname	-0.0368
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347	C110   -38.8708    20.0004    27.5818	C.2	1	noname	0.1237
348	C111   -43.9325    21.3648    24.3518	C.3	1	noname	0.0179
349	C112   -48.5463    57.9880   -19.2175	C.2	1	noname	-0.0324
350	C113   -44.7551    20.3047    25.1118	C.3	1	noname	0.1256
351	C114   -36.8385    20.6159    27.2865	C.2	1	noname	-0.0368
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356	C119   -41.9111    37.6555    -2.8478	C.3	1	noname	0.1114
357	C120   -39.5434    36.2043     2.0087	C.3	1	noname	0.1114
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370	C133   -37.5072    36.1960     3.1125	C.3	1	noname	0.1330
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479	H11   -32.0326    17.1441    27.6149	H	1	noname	0.0674
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485	H17   -38.1720    53.6616   -19.7894	H	1	noname	0.0604
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488	H20   -27.3198    14.1470    23.6332	H	1	noname	0.0853
489	H21   -34.5513    16.2414    28.5853	H	1	noname	0.0816
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491	H23   -33.8533    20.2528    22.7689	H	1	noname	0.0670
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493	H25   -42.5047    54.1591   -24.2986	H	1	noname	0.0604
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495	H27   -34.4844    21.8407    20.1852	H	1	noname	0.0657
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498	H30   -35.7693    50.7260   -19.8148	H	1	noname	0.0604
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503	H35   -43.3598    59.2686   -24.1242	H	1	noname	0.0670
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510	H42   -39.0825    51.3086   -15.2771	H	1	noname	0.0590
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514	H46   -37.6049    54.4514   -26.5429	H	1	noname	0.1016
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516	H48   -32.9801    14.2555    17.8737	H	1	noname	0.0657
517	H49   -33.7807    15.0226    15.9255	H	1	noname	0.0674
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519	H51   -35.3563    49.1174   -14.6705	H	1	noname	0.0656
520	H52   -37.3258    48.7024   -12.3381	H	1	noname	0.0642
521	H53   -33.3850    17.4819    30.1698	H	1	noname	0.0590
522	H54   -31.8882    18.3065    29.6930	H	1	noname	0.0590
523	H55   -44.1786    61.0048   -22.0838	H	1	noname	0.0591
524	H56   -42.8747    61.0147   -20.8819	H	1	noname	0.0591
525	H57   -28.5512    13.4688    20.4479	H	1	noname	0.0590
526	H58   -27.1305    14.0089    21.3658	H	1	noname	0.0590
527	H59   -30.4742    12.1957    24.5552	H	1	noname	0.1016
528	H60   -35.2353    13.9191    28.3078	H	1	noname	0.0761
529	H61   -35.4539    49.0329   -10.9619	H	1	noname	0.0338
530	H62   -34.2788    48.6780   -12.2307	H	1	noname	0.0338
531	H63   -37.5053    22.0510    23.5361	H	1	noname	0.0642
532	H64   -31.2364    14.5254    19.5595	H	1	noname	0.0604
533	H65   -30.7857    16.1286    20.1769	H	1	noname	0.0604
534	H66   -40.5232    45.6696   -20.6620	H	1	noname	0.0590
535	H67   -39.7929    46.3984   -22.1066	H	1	noname	0.0590
536	H68   -34.1955    50.8448   -12.9239	H	1	noname	0.0824
537	H69   -35.6497    46.9600   -23.0330	H	1	noname	0.0761
538	H70   -39.6269    52.0818   -12.3117	H	1	noname	0.0590
539	H71   -38.1594    51.4193   -12.8764	H	1	noname	0.0590
540	H72   -39.9476    23.6243    24.4925	H	1	noname	0.0656
541	H73   -38.3099    49.3737   -14.4805	H	1	noname	0.0604
542	H74   -37.3327    50.0125   -16.0252	H	1	noname	0.0604
543	H75   -37.6580    23.9811    25.8975	H	1	noname	0.0338
544	H76   -36.5421    22.6516    25.6133	H	1	noname	0.0338
545	H77   -34.2236    18.0003    18.4540	H	1	noname	0.0590
546	H78   -33.7740    19.6455    17.9092	H	1	noname	0.0590
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549	H81   -35.9668    51.7971   -24.8312	H	1	noname	0.0590
550	H82   -35.5822    51.6169   -23.0846	H	1	noname	0.0590
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553	H85   -33.0230    19.5279    31.4665	H	1	noname	0.0590
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555	H87   -28.5623    15.6115    19.2140	H	1	noname	0.0590
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558	H90   -45.1706    55.3925   -22.6116	H	1	noname	0.0590
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563	H95   -39.7230    22.9363    21.9844	H	1	noname	0.0604
564	H96   -45.3350    57.0894   -19.1379	H	1	noname	0.0761
565	H97   -40.1205    61.0315   -14.0333	H	1	noname	0.1400
566	H98   -36.3348    16.7966    22.1213	H	1	noname	0.2259
567	H99   -35.7097    18.6882    16.9662	H	1	noname	0.0590
568	H100   -36.2021    20.0776    17.6580	H	1	noname	0.0590
569	H101   -29.3856    17.4350    22.3400	H	1	noname	0.1418
570	H102   -43.2843    55.9393   -26.6146	H	1	noname	0.2259
571	H103   -34.2995    15.0067    19.6263	H	1	noname	0.2106
572	H104   -40.3652    47.4368   -11.6516	H	1	noname	0.0656
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576	H108   -42.6419    51.4359   -29.1301	H	1	noname	0.1062
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579	H111   -42.3604    62.2091   -22.7539	H	1	noname	0.2101
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584	H116   -29.7242    17.3114    15.5560	H	1	noname	0.0762
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624	H156   -30.8058    13.5214    12.9642	H	1	noname	0.1418
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627	H159   -36.4933    18.0055    15.0597	H	1	noname	0.0590
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629	H161   -37.8616    34.0877     2.7530	H	1	noname	0.0338
630	H162   -38.0587    34.5224     4.4473	H	1	noname	0.0338
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632	H164   -33.4829    42.5264   -21.3181	H	1	noname	0.1258
633	H165   -33.6929    42.6758   -22.8810	H	1	noname	0.1258
634	H166   -43.1259    36.0167     5.6558	H	1	noname	0.0656
635	H167   -36.7504    35.9878     2.3517	H	1	noname	0.0824
636	H168   -26.9372     9.2208    28.4174	H	1	noname	0.1258
637	H169   -27.9381     8.8557    27.2452	H	1	noname	0.1258
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639	H171   -39.1858    43.4298    -1.1618	H	1	noname	0.0338
640	H172   -47.9304    56.1855   -17.1117	H	1	noname	0.0281
641	H173   -47.5017    57.8331   -16.5921	H	1	noname	0.0281
642	H174   -46.2240    56.6902   -17.0712	H	1	noname	0.0281
643	H175   -37.3494    39.8434    -9.1079	H	1	noname	0.0335
644	H176   -36.5874    39.7080    -7.5253	H	1	noname	0.0335
645	H177   -45.7187    34.8328     8.1194	H	1	noname	0.0338
646	H178   -44.4494    36.1520     8.0409	H	1	noname	0.0338
647	H179   -40.1072    45.1781    -2.2002	H	1	noname	0.0824
648	H180   -47.4951    19.8934    22.0751	H	1	noname	0.0604
649	H181   -45.9715    19.1469    21.6083	H	1	noname	0.0604
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651	H183   -33.1949    49.5093   -24.9809	H	1	noname	0.0529
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662	H194   -37.4959    44.3478    -7.6328	H	1	noname	0.0604
663	H195   -43.1502    20.4609    15.6543	H	1	noname	0.0788
664	H196   -39.7711    37.5524    -2.5376	H	1	noname	0.0604
665	H197   -40.2605    38.9381    -3.4787	H	1	noname	0.0604
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667	H199   -40.6380    37.7281     0.8853	H	1	noname	0.0604
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672	H204   -35.0286    20.8293    32.1897	H	1	noname	0.0529
673	H205   -34.9746    21.7695    30.6793	H	1	noname	0.0529
674	H206   -41.4481    41.7348    -5.0194	H	1	noname	0.0604
675	H207   -40.3089    42.7058    -5.9399	H	1	noname	0.0604
676	H208   -25.6943    14.8382    17.0298	H	1	noname	0.0529
677	H209   -27.2245    15.7428    17.1215	H	1	noname	0.0529
678	H210   -25.8108    16.2883    18.0554	H	1	noname	0.0529
679	H211   -43.1552    27.4836     5.0917	H	1	noname	0.0788
680	H212   -35.6272    45.6802   -10.0622	H	1	noname	0.2259
681	H213   -43.7586    33.4474     4.1594	H	1	noname	0.0604
682	H214   -42.9357    34.8555     3.5132	H	1	noname	0.0604
683	H215   -46.9896    27.9632    14.4740	H	1	noname	0.0656
684	H216   -27.5936    17.0492    12.8899	H	1	noname	0.0282
685	H217   -26.8976    15.9845    14.1350	H	1	noname	0.0282
686	H218   -27.6466    17.5299    14.6029	H	1	noname	0.0282
687	H219   -44.2311    46.1336   -23.4434	H	1	noname	0.0529
688	H220   -44.3299    47.0521   -21.9218	H	1	noname	0.0529
689	H221   -43.5865    47.7907   -23.3606	H	1	noname	0.0529
690	H222   -49.5676    25.8738    16.1763	H	1	noname	0.0335
691	H223   -49.0383    27.6219    15.9708	H	1	noname	0.0335
692	H224   -43.7775    29.0326    14.1790	H	1	noname	0.0642
693	H225   -44.3311    43.9975   -10.5566	H	1	noname	0.1016
694	H226   -41.8761    29.5565    11.7987	H	1	noname	0.0656
695	H227   -49.8903    27.4661    13.9327	H	1	noname	0.0788
696	H228   -50.3886    58.4607   -19.1167	H	1	noname	0.1258
697	H229   -49.9750    57.2262   -18.2145	H	1	noname	0.1258
698	H230   -41.7951    29.0727    15.4994	H	1	noname	0.0335
699	H231   -40.7243    28.9794    14.0086	H	1	noname	0.0335
700	H232   -37.7747    16.3341    18.7770	H	1	noname	0.0529
701	H233   -36.7449    16.3757    17.3257	H	1	noname	0.0529
702	H234   -36.0035    16.3919    18.9439	H	1	noname	0.0529
703	H235   -44.8285    24.6129    16.5871	H	1	noname	0.0604
704	H236   -44.5193    24.1414    18.2750	H	1	noname	0.0604
705	H237   -40.7433    31.2046    14.0923	H	1	noname	0.0788
706	H238   -42.2863    31.7354     6.6390	H	1	noname	0.0604
707	H239   -41.6515    30.8045     8.0123	H	1	noname	0.0604
708	H240   -45.7199    25.3784    13.5044	H	1	noname	0.0604
709	H241   -45.4025    26.9907    12.8879	H	1	noname	0.0604
710	H242   -36.0127    55.5316   -13.7274	H	1	noname	0.1062
711	H243   -40.9600    20.7554    20.8072	H	1	noname	0.2259
712	H244   -44.8353    30.1836    12.0853	H	1	noname	0.0604
713	H245   -43.8276    30.5223    10.6916	H	1	noname	0.0604
714	H246   -44.5766    51.5917   -25.0057	H	1	noname	0.0529
715	H247   -46.2202    52.2684   -25.1000	H	1	noname	0.0529
716	H248   -44.9834    52.7674   -26.2788	H	1	noname	0.0529
717	H249   -45.7046    18.6015    26.7991	H	1	noname	0.0759
718	H250   -41.7328    18.6624    28.4288	H	1	noname	0.1062
719	H251   -43.5124    33.1689    -3.0541	H	1	noname	0.1016
720	H252   -36.7651    35.3997     5.7803	H	1	noname	0.1016
721	H253   -42.2777    44.0425     0.2795	H	1	noname	0.1016
722	H254   -47.7307    35.0092     8.1419	H	1	noname	0.1016
723	H255   -36.1290    56.6433    -9.5125	H	1	noname	0.1258
724	H256   -36.7287    55.3622    -8.7996	H	1	noname	0.1258
725	H257   -41.4931    44.9324    -6.5338	H	1	noname	0.2259
726	H258   -33.4856    42.2237    -9.7234	H	1	noname	0.0759
727	H259   -38.3027    16.5534    30.1186	H	1	noname	0.1258
728	H260   -37.1601    16.7772    29.0446	H	1	noname	0.1258
729	H261   -40.9565    21.9086    16.3285	H	1	noname	0.0762
730	H262   -36.7761    20.1347    12.0960	H	1	noname	0.0529
731	H263   -37.6448    19.4509    13.4910	H	1	noname	0.0529
732	H264   -36.4034    20.7017    13.7415	H	1	noname	0.0529
733	H265   -40.7419    27.4223     4.5086	H	1	noname	0.0762
734	H266   -44.7798    16.5740    27.6790	H	1	noname	0.0666
735	H267   -45.3096    43.6101   -16.8099	H	1	noname	0.1400
736	H268   -50.3846    26.3221    11.7944	H	1	noname	0.0762
737	H269   -44.4578    35.2787     1.4273	H	1	noname	0.2259
738	H270   -47.0252    18.5105    18.3346	H	1	noname	0.2259
739	H271   -39.4465    39.9708     0.8996	H	1	noname	0.2259
740	H272   -40.0490    31.7593     5.2450	H	1	noname	0.2259
741	H273   -39.0640    38.3150    -5.6721	H	1	noname	0.2259
742	H274   -41.8997    33.4410    14.3690	H	1	noname	0.0759
743	H275   -31.3292    42.3883    -8.6914	H	1	noname	0.0666
744	H276   -43.9357    33.1145    10.6590	H	1	noname	0.2259
745	H277   -40.5147    18.4011    19.4635	H	1	noname	0.1418
746	H278   -40.2342    24.4684     8.1563	H	1	noname	0.1418
747	H279   -48.4893    25.0032    19.3065	H	1	noname	0.2259
748	H280   -45.8900    26.4595    10.3755	H	1	noname	0.2259
749	H281   -51.6127    22.5792    14.3977	H	1	noname	0.1418
750	H282   -40.8844    33.0470    -8.8281	H	1	noname	0.1400
751	H283   -42.5474    25.8353    16.2745	H	1	noname	0.2259
752	H284   -50.6876    36.7127     2.7741	H	1	noname	0.1400
753	H285   -42.9421    46.1355   -16.8612	H	1	noname	0.1268
754	H286   -44.3552    45.8548   -17.5196	H	1	noname	0.1268
755	H287   -35.7759    40.9747     2.7741	H	1	noname	0.1062
756	H288   -38.2667    21.6507    16.1143	H	1	noname	0.0282
757	H289   -38.6347    22.7808    17.4394	H	1	noname	0.0282
758	H290   -37.5516    21.3974    17.7245	H	1	noname	0.0282
759	H291   -43.6821    47.6970    -4.7971	H	1	noname	0.1062
760	H292   -42.7192    34.9203    16.0673	H	1	noname	0.0666
761	H293   -38.3922    25.0283     3.7932	H	1	noname	0.0282
762	H294   -38.7744    26.7462     3.5268	H	1	noname	0.0282
763	H295   -37.5099    26.2861     4.6919	H	1	noname	0.0282
764	H296   -41.5385    15.4871    26.6164	H	1	noname	0.1257
765	H297   -42.9700    14.8333    26.7964	H	1	noname	0.1257
766	H298   -53.0519    24.6975    10.3748	H	1	noname	0.0282
767	H299   -51.6160    23.8194     9.7956	H	1	noname	0.0282
768	H300   -51.5689    25.5910     9.9617	H	1	noname	0.0282
769	H301   -34.1673    40.7486     6.8193	H	1	noname	0.1258
770	H302   -35.1634    39.7728     7.5707	H	1	noname	0.1258
771	H303   -46.4949    47.9884    -1.4796	H	1	noname	0.1258
772	H304   -46.4503    46.5510    -0.8157	H	1	noname	0.1258
773	H305   -30.8388    41.1348    -5.3763	H	1	noname	0.1257
774	H306   -30.4823    42.4522    -6.1802	H	1	noname	0.1257
775	H307   -40.8879    36.4800    -8.3823	H	1	noname	0.1268
776	H308   -41.2953    35.4560    -9.5200	H	1	noname	0.1268
777	H309   -47.4535    37.4886     1.8153	H	1	noname	0.1268
778	H310   -48.8780    38.1795     1.7644	H	1	noname	0.1268
779	H311   -44.0659    33.5801    19.1001	H	1	noname	0.1257
780	H312   -44.4788    34.6811    18.0388	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	22	1
2	1	552	1
3	2	21	2
4	3	23	2
5	4	24	2
6	5	25	2
7	6	26	2
8	7	27	2
9	8	28	2
10	9	29	2
11	10	30	2
12	11	31	2
13	12	32	2
14	13	33	2
15	14	34	2
16	15	35	2
17	16	36	2
18	17	37	2
19	18	38	2
20	19	39	2
21	20	40	2
22	21	44	1
23	21	50	1
24	21	69	1
25	22	43	1
26	22	57	1
27	22	73	2
28	23	52	1
29	23	61	1
30	23	75	1
31	24	58	1
32	24	64	1
33	24	78	1
34	25	60	1
35	25	65	1
36	25	80	1
37	26	53	1
38	26	70	1
39	26	82	1
40	27	56	1
41	27	72	1
42	27	83	1
43	28	68	1
44	28	76	1
45	28	91	1
46	29	79	1
47	29	95	1
48	29	108	1
49	30	90	1
50	30	101	1
51	30	125	1
52	31	99	1
53	31	116	1
54	31	136	1
55	32	111	1
56	32	124	1
57	32	139	1
58	33	120	1
59	33	121	1
60	33	140	1
61	34	115	1
62	34	126	1
63	34	141	1
64	35	113	1
65	35	127	1
66	35	142	1
67	36	117	1
68	36	128	1
69	36	143	1
70	37	119	1
71	37	132	1
72	37	144	1
73	38	131	1
74	38	134	1
75	38	145	1
76	39	130	1
77	39	137	1
78	39	146	1
79	40	133	1
80	40	138	1
81	40	148	1
82	41	240	1
83	41	241	1
84	42	244	1
85	42	245	1
86	238	43	1
87	242	44	1
88	239	45	1
89	45	273	1
90	46	250	1
91	46	257	1
92	47	251	1
93	47	256	1
94	48	254	1
95	48	258	1
96	243	49	1
97	49	276	1
98	50	253	1
99	51	262	1
100	51	263	1
101	246	52	1
102	247	53	1
103	248	54	1
104	54	287	1
105	249	55	1
106	55	289	1
107	252	56	1
108	57	264	1
109	259	58	1
110	255	59	1
111	59	295	1
112	60	261	1
113	61	265	1
114	260	62	1
115	62	304	1
116	63	269	1
117	63	271	1
118	64	266	1
119	267	65	1
120	268	66	1
121	66	316	1
122	67	278	1
123	67	283	1
124	68	272	1
125	69	551	1
126	70	294	1
127	71	284	1
128	71	296	1
129	72	301	1
130	74	300	1
131	74	305	1
132	75	557	1
133	293	76	1
134	281	77	1
135	77	336	1
136	78	566	1
137	285	79	1
138	80	570	1
139	280	81	1
140	81	571	1
141	82	574	1
142	83	575	1
143	84	288	1
144	84	579	1
145	85	298	1
146	85	361	1
147	86	307	1
148	86	377	1
149	87	299	2
150	88	327	1
151	88	332	1
152	89	303	2
153	90	320	1
154	91	606	1
155	92	313	1
156	92	391	1
157	93	309	2
158	94	314	1
159	94	394	1
160	95	341	1
161	96	317	1
162	96	401	1
163	97	310	2
164	98	324	1
165	98	407	1
166	328	99	1
167	100	346	1
168	100	350	1
169	342	101	1
170	102	322	2
171	103	356	1
172	103	367	1
173	104	357	1
174	104	370	1
175	105	340	1
176	105	417	1
177	106	364	1
178	106	375	1
179	107	360	1
180	107	380	1
181	108	680	1
182	109	368	1
183	109	378	1
184	110	329	2
185	354	111	1
186	112	382	1
187	112	387	1
188	355	113	1
189	114	337	2
190	358	115	1
191	116	385	1
192	359	117	1
193	118	386	1
194	118	396	1
195	365	119	1
196	120	376	1
197	381	121	1
198	122	398	1
199	122	406	1
200	123	363	1
201	123	437	1
202	124	389	1
203	125	711	1
204	126	388	1
205	127	397	1
206	128	395	1
207	129	405	1
208	129	411	1
209	384	130	1
210	392	131	1
211	132	412	1
212	403	133	1
213	134	410	1
214	135	379	2
215	136	725	1
216	137	416	1
217	138	415	1
218	139	737	1
219	140	738	1
220	141	739	1
221	142	740	1
222	143	741	1
223	144	744	1
224	145	747	1
225	146	748	1
226	147	422	2
227	148	751	1
228	149	429	2
229	150	433	2
230	151	438	2
231	152	442	2
232	153	444	2
233	154	450	2
234	155	451	2
235	156	453	2
236	157	456	2
237	158	459	2
238	159	461	2
239	241	160	1
240	160	270	1
241	160	274	1
242	245	161	1
243	161	275	1
244	161	277	1
245	256	162	1
246	162	282	1
247	162	290	1
248	257	163	1
249	163	291	1
250	163	299	1
251	258	164	1
252	164	297	1
253	164	303	1
254	263	165	1
255	165	306	1
256	165	309	1
257	271	166	1
258	166	321	1
259	166	322	1
260	167	274	2
261	167	279	1
262	168	277	2
263	168	286	1
264	169	270	1
265	169	318	2
266	170	275	2
267	170	330	1
268	283	171	1
269	171	335	1
270	171	337	1
271	172	290	2
272	172	308	1
273	296	173	1
274	173	339	1
275	173	345	1
276	174	310	1
277	174	318	1
278	174	565	1
279	175	282	2
280	175	344	1
281	176	299	1
282	176	323	2
283	305	177	1
284	177	347	1
285	177	351	1
286	178	309	1
287	178	329	1
288	178	569	1
289	179	303	1
290	179	325	2
291	180	315	1
292	180	330	2
293	181	315	1
294	181	603	1
295	181	604	1
296	182	322	1
297	182	349	2
298	183	326	1
299	183	344	2
300	184	318	1
301	184	608	1
302	184	609	1
303	332	185	1
304	185	393	1
305	185	404	1
306	186	323	1
307	186	614	1
308	186	615	1
309	187	337	1
310	187	379	1
311	187	624	1
312	188	325	1
313	188	632	1
314	188	633	1
315	189	326	1
316	189	636	1
317	189	637	1
318	190	345	2
319	190	353	1
320	191	351	2
321	191	369	1
322	350	192	1
323	192	418	1
324	192	422	1
325	193	339	2
326	193	414	1
327	367	194	1
328	194	420	1
329	194	425	1
330	195	347	2
331	195	419	1
332	370	196	1
333	196	421	1
334	196	426	1
335	197	349	1
336	197	696	1
337	197	697	1
338	375	198	1
339	198	423	1
340	198	427	1
341	378	199	1
342	199	424	1
343	199	428	1
344	380	200	1
345	200	431	1
346	200	433	1
347	387	201	1
348	201	434	1
349	201	438	1
350	396	202	1
351	202	439	1
352	202	442	1
353	203	404	2
354	203	413	1
355	204	400	1
356	204	414	2
357	406	205	1
358	205	443	1
359	205	444	1
360	206	408	1
361	206	419	2
362	207	393	1
363	207	441	2
364	411	208	1
365	208	447	1
366	208	451	1
367	209	400	1
368	209	723	1
369	209	724	1
370	210	408	1
371	210	727	1
372	210	728	1
373	211	425	2
374	211	430	1
375	212	426	2
376	212	432	1
377	213	429	1
378	213	441	1
379	213	735	1
380	214	427	2
381	214	435	1
382	215	428	2
383	215	436	1
384	216	422	1
385	216	445	2
386	217	420	1
387	217	458	2
388	218	421	2
389	218	462	1
390	219	424	1
391	219	460	2
392	220	423	2
393	220	464	1
394	221	438	1
395	221	456	1
396	221	745	1
397	222	442	1
398	222	459	1
399	222	746	1
400	223	433	1
401	223	457	2
402	224	444	1
403	224	461	1
404	224	749	1
405	225	450	1
406	225	458	1
407	225	750	1
408	226	453	1
409	226	460	1
410	226	752	1
411	227	441	1
412	227	753	1
413	227	754	1
414	228	452	1
415	228	462	2
416	229	454	1
417	229	464	2
418	230	445	1
419	230	764	1
420	230	765	1
421	231	451	1
422	231	468	2
423	232	452	1
424	232	769	1
425	232	770	1
426	233	454	1
427	233	771	1
428	233	772	1
429	234	457	1
430	234	773	1
431	234	774	1
432	235	458	1
433	235	775	1
434	235	776	1
435	236	460	1
436	236	777	1
437	236	778	1
438	237	468	1
439	237	779	1
440	237	780	1
441	238	239	1
442	238	240	1
443	238	469	1
444	239	241	1
445	239	470	1
446	240	253	1
447	240	471	1
448	241	472	1
449	242	243	1
450	242	244	1
451	242	473	1
452	243	245	1
453	243	474	1
454	244	261	1
455	244	475	1
456	245	476	1
457	246	248	1
458	246	250	1
459	246	477	1
460	247	249	1
461	247	251	1
462	247	478	1
463	248	257	1
464	248	479	1
465	249	256	1
466	249	480	1
467	250	266	1
468	250	481	1
469	251	265	1
470	251	482	1
471	252	254	1
472	252	255	1
473	252	483	1
474	253	484	1
475	253	485	1
476	254	264	1
477	254	486	1
478	255	258	1
479	255	487	1
480	256	488	1
481	257	489	1
482	258	490	1
483	259	260	1
484	259	262	1
485	259	491	1
486	260	263	1
487	260	492	1
488	261	493	1
489	261	494	1
490	262	272	1
491	262	495	1
492	263	496	1
493	264	497	1
494	264	498	1
495	265	499	1
496	265	500	1
497	266	501	1
498	266	502	1
499	267	268	1
500	267	269	1
501	267	503	1
502	268	271	1
503	268	504	1
504	269	288	1
505	269	505	1
506	270	279	2
507	271	506	1
508	272	507	1
509	272	508	1
510	273	298	1
511	273	509	1
512	273	510	1
513	274	511	1
514	275	286	1
515	276	307	1
516	276	512	1
517	276	513	1
518	277	514	1
519	278	280	1
520	278	294	1
521	278	515	1
522	279	310	1
523	280	281	1
524	280	516	1
525	281	283	1
526	281	517	1
527	282	308	1
528	283	518	1
529	284	285	1
530	284	301	1
531	284	519	1
532	285	292	1
533	285	520	1
534	286	315	2
535	287	313	1
536	287	521	1
537	287	522	1
538	288	523	1
539	288	524	1
540	289	314	1
541	289	525	1
542	289	526	1
543	290	527	1
544	291	311	2
545	291	528	1
546	292	296	1
547	292	529	1
548	292	530	1
549	293	300	1
550	293	302	1
551	293	531	1
552	294	532	1
553	294	533	1
554	295	317	1
555	295	534	1
556	295	535	1
557	296	536	1
558	297	312	2
559	297	537	1
560	298	538	1
561	298	539	1
562	300	320	1
563	300	540	1
564	301	541	1
565	301	542	1
566	302	305	1
567	302	543	1
568	302	544	1
569	304	324	1
570	304	545	1
571	304	546	1
572	305	547	1
573	306	319	2
574	306	548	1
575	307	549	1
576	307	550	1
577	308	326	2
578	311	323	1
579	311	333	1
580	312	325	1
581	312	338	1
582	313	553	1
583	313	554	1
584	314	555	1
585	314	556	1
586	316	340	1
587	316	558	1
588	316	559	1
589	317	560	1
590	317	561	1
591	319	329	1
592	319	343	1
593	320	562	1
594	320	563	1
595	321	334	2
596	321	564	1
597	324	567	1
598	324	568	1
599	327	328	1
600	327	341	1
601	327	572	1
602	328	331	1
603	328	573	1
604	330	576	1
605	331	332	1
606	331	577	1
607	331	578	1
608	332	580	1
609	333	581	1
610	333	582	1
611	333	583	1
612	334	349	1
613	334	371	1
614	335	352	2
615	335	584	1
616	336	363	1
617	336	585	1
618	336	586	1
619	338	587	1
620	338	588	1
621	338	589	1
622	339	353	1
623	340	590	1
624	340	591	1
625	341	592	1
626	341	593	1
627	342	346	1
628	342	348	1
629	342	594	1
630	343	595	1
631	343	596	1
632	343	597	1
633	344	598	1
634	345	599	1
635	346	376	1
636	346	600	1
637	347	369	1
638	348	350	1
639	348	601	1
640	348	602	1
641	350	605	1
642	351	607	1
643	352	379	1
644	352	399	1
645	353	400	2
646	354	356	1
647	354	362	1
648	354	610	1
649	355	357	1
650	355	366	1
651	355	611	1
652	356	388	1
653	356	612	1
654	357	389	1
655	357	613	1
656	358	364	1
657	358	372	1
658	358	616	1
659	359	360	1
660	359	373	1
661	359	617	1
662	360	385	1
663	360	618	1
664	361	619	1
665	361	620	1
666	361	621	1
667	362	367	1
668	362	622	1
669	362	623	1
670	363	627	1
671	363	628	1
672	364	395	1
673	364	625	1
674	365	368	1
675	365	374	1
676	365	626	1
677	366	370	1
678	366	629	1
679	366	630	1
680	367	631	1
681	368	397	1
682	368	634	1
683	369	408	2
684	370	635	1
685	371	640	1
686	371	641	1
687	371	642	1
688	372	375	1
689	372	638	1
690	372	639	1
691	373	380	1
692	373	643	1
693	373	644	1
694	374	378	1
695	374	645	1
696	374	646	1
697	375	647	1
698	376	648	1
699	376	649	1
700	377	651	1
701	377	652	1
702	377	653	1
703	378	650	1
704	380	654	1
705	381	382	1
706	381	383	1
707	381	655	1
708	382	410	1
709	382	656	1
710	383	387	1
711	383	657	1
712	383	658	1
713	384	386	1
714	384	390	1
715	384	659	1
716	385	661	1
717	385	662	1
718	386	412	1
719	386	660	1
720	387	663	1
721	388	664	1
722	388	665	1
723	389	666	1
724	389	667	1
725	390	396	1
726	390	668	1
727	390	669	1
728	391	671	1
729	391	672	1
730	391	673	1
731	392	398	1
732	392	402	1
733	392	670	1
734	393	413	2
735	394	676	1
736	394	677	1
737	394	678	1
738	395	674	1
739	395	675	1
740	396	679	1
741	397	681	1
742	397	682	1
743	398	415	1
744	398	683	1
745	399	684	1
746	399	685	1
747	399	686	1
748	401	687	1
749	401	688	1
750	401	689	1
751	402	406	1
752	402	690	1
753	402	691	1
754	403	405	1
755	403	409	1
756	403	692	1
757	404	693	1
758	405	416	1
759	405	694	1
760	406	695	1
761	407	700	1
762	407	701	1
763	407	702	1
764	409	411	1
765	409	698	1
766	409	699	1
767	410	703	1
768	410	704	1
769	411	705	1
770	412	706	1
771	412	707	1
772	413	429	1
773	414	710	1
774	415	708	1
775	415	709	1
776	416	712	1
777	416	713	1
778	417	714	1
779	417	715	1
780	417	716	1
781	418	440	2
782	418	717	1
783	419	718	1
784	420	430	2
785	421	432	1
786	423	435	1
787	424	436	2
788	425	719	1
789	426	720	1
790	427	721	1
791	428	722	1
792	430	450	1
793	431	448	2
794	431	726	1
795	432	452	2
796	434	446	2
797	434	729	1
798	435	454	2
799	436	453	1
800	437	730	1
801	437	731	1
802	437	732	1
803	439	449	2
804	439	733	1
805	440	445	1
806	440	734	1
807	443	455	2
808	443	736	1
809	446	456	1
810	446	463	1
811	447	465	2
812	447	742	1
813	448	457	1
814	448	743	1
815	449	459	1
816	449	466	1
817	455	461	1
818	455	467	1
819	462	755	1
820	463	756	1
821	463	757	1
822	463	758	1
823	464	759	1
824	465	468	1
825	465	760	1
826	466	761	1
827	466	762	1
828	466	763	1
829	467	766	1
830	467	767	1
831	467	768	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
