@<TRIPOS>MOLECULE
85470858
665 679 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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222	C137    -8.9707     2.0573    13.6186	C.3	1	noname	0.0883
223	C138   -10.3980     1.6630    13.4177	C.2	1	noname	0.0493
224	O38   -10.7174     0.4839    13.7069	O.2	1	noname	-0.2900
225	N42   -11.3467     2.5301    12.9463	N.3	1	noname	-0.0664
226	C139   -12.7577     2.2749    12.7999	C.3	1	noname	0.0878
227	C140   -13.1432     2.5692    11.3956	C.2	1	noname	0.0494
228	O39   -13.5357     1.6210    10.6729	O.2	1	noname	-0.2900
229	N43   -13.0224     3.8310    10.8779	N.3	1	noname	-0.0662
230	C141   -13.5566     3.1230    13.8344	C.3	1	noname	-0.0288
231	C142   -13.4026     2.6050    15.2949	C.3	1	noname	-0.0501
232	C143   -13.9529     3.5922    16.3581	C.3	1	noname	-0.0408
233	C144   -13.7267     3.0908    17.8056	C.3	1	noname	-0.0076
234	N44   -14.1912     4.0806    18.7833	N.3	1	noname	-0.3304
235	C145    -8.7400     3.5804    13.8750	C.3	1	noname	-0.0195
236	C146    -9.4628     4.1466    15.1308	C.3	1	noname	0.0354
237	C147    -9.1955     5.5835    15.3313	C.2	1	noname	0.1348
238	O40    -8.0391     5.9904    15.5849	O.2	1	noname	-0.2559
239	O41   -10.1991     6.4877    15.2472	O.3	1	noname	-0.2189
240	C148    -5.6911     3.2019    10.2711	C.3	1	noname	-0.0288
241	C149    -4.9690     4.5781    10.1441	C.3	1	noname	-0.0501
242	C150    -4.8033     5.0376     8.6730	C.3	1	noname	-0.0408
243	C151    -4.1505     6.4325     8.5200	C.3	1	noname	-0.0076
244	N45    -2.7130     6.3785     8.7631	N.3	1	noname	-0.3304
245	C152     0.8397     1.7045    13.0334	C.3	1	noname	-0.0034
246	C153     0.5297     0.2469    12.9855	C.2	1	noname	-0.0541
247	C154     1.0012    -0.5489    11.9138	C.2	1	noname	-0.0567
248	C155     0.7059    -1.9235    11.8549	C.2	1	noname	-0.0604
249	C156    -0.0646    -2.5211    12.8680	C.2	1	noname	-0.0616
250	C157    -0.5389    -1.7442    13.9397	C.2	1	noname	-0.0604
251	C158    -0.2409    -0.3701    14.0001	C.2	1	noname	-0.0567
252	C159     0.3594     8.8454     7.0693	C.3	1	noname	0.0113
253	C160    -0.7399     9.8095     7.2783	C.2	1	noname	-0.0675
254	C161    -0.8035    11.1183     6.8041	C.2	1	noname	0.0121
255	N46    -1.9876    11.6510     7.1399	N.2	1	noname	-0.2418
256	C162    -2.6520    10.6975     7.8132	C.2	1	noname	-0.0518
257	N47    -1.9011     9.5902     7.9048	N.3	1	noname	-0.0483
258	C163     8.7277     4.7768     8.2063	C.3	1	noname	-0.0288
259	C164     8.9315     3.6861     9.3013	C.3	1	noname	-0.0501
260	C165     9.5990     4.1873    10.6129	C.3	1	noname	-0.0408
261	C166     9.8585     3.0435    11.6243	C.3	1	noname	-0.0076
262	N48    10.4779     3.5561    12.8515	N.3	1	noname	-0.3304
263	C167     5.8881     3.1358     6.2427	C.3	1	noname	-0.0288
264	C168     5.9891     1.8744     7.1423	C.3	1	noname	-0.0501
265	C169     6.7888     0.7228     6.4785	C.3	1	noname	-0.0408
266	C170     6.9440    -0.4986     7.4144	C.3	1	noname	-0.0076
267	N49     7.6512    -1.5909     6.7388	N.3	1	noname	-0.3304
268	C171     4.7414     7.7075     4.0522	C.3	1	noname	0.0113
269	C172     4.7695     8.6437     2.9071	C.2	1	noname	-0.0675
270	C173     4.1261     9.8728     2.7840	C.2	1	noname	0.0121
271	N50     4.3749    10.3753     1.5628	N.2	1	noname	-0.2418
272	C174     5.1640     9.4843     0.9401	C.2	1	noname	-0.0518
273	N51     5.4099     8.4437     1.7471	N.3	1	noname	-0.0483
274	N52     0.0269     5.8679     2.3698	N.3	1	noname	-0.0658
275	C175    -0.5741     5.3855     1.2500	C.2	1	noname	0.0495
276	O42    -1.4145     6.0648     0.6176	O.2	1	noname	-0.2900
277	C176     0.0594     4.2108     0.5865	C.3	1	noname	0.0882
278	C177     1.0020     4.8764    -0.4964	C.3	1	noname	-0.0206
279	C178     2.0497     4.0369    -1.2717	C.3	1	noname	0.0229
280	C179     3.0206     4.8368    -2.0543	C.2	1	noname	0.0325
281	O43     4.2500     4.7049    -1.8666	O.2	1	noname	-0.2985
282	N53     2.6192     5.6880    -3.0162	N.3	1	noname	-0.0909
283	N54    -0.8756     3.1790     0.1449	N.3	1	noname	-0.0664
284	C180    -1.8086     2.4820     0.9053	C.2	1	noname	0.0493
285	O44    -1.8640     2.7950     2.1185	O.2	1	noname	-0.2900
286	C181    -2.7530     1.3716     0.4520	C.3	1	noname	0.0878
287	C182    -2.0811     0.0176     0.0229	C.3	1	noname	-0.0288
288	C183    -1.9010    -1.0745     1.1040	C.3	1	noname	-0.0501
289	C184    -1.4595    -2.4476     0.5094	C.3	1	noname	-0.0408
290	C185    -0.8875    -3.4735     1.5177	C.3	1	noname	-0.0076
291	N55     0.3352    -3.0069     2.1754	N.3	1	noname	-0.3304
292	N56    -3.6751     1.6997    -0.6144	N.3	1	noname	-0.0665
293	C186    -4.8012     0.9467    -0.8977	C.2	1	noname	0.0492
294	O45    -5.1752     0.0758    -0.0772	O.2	1	noname	-0.2901
295	C187    -5.5429     1.0076    -2.1849	C.3	1	noname	0.0829
296	C188    -4.6257     0.6325    -3.3884	C.3	1	noname	-0.0041
297	C189    -5.3434     0.4539    -4.6843	C.2	1	noname	-0.0660
298	C190    -5.6602     1.5656    -5.5008	C.2	1	noname	-0.0475
299	C191    -6.3103     1.3965    -6.7366	C.2	1	noname	-0.0312
300	C192    -6.6507     0.1066    -7.1839	C.2	1	noname	-0.0019
301	C193    -6.3500    -1.0090    -6.3813	C.2	1	noname	-0.0312
302	C194    -5.7014    -0.8369    -5.1439	C.2	1	noname	-0.0475
303	O46    -7.2631    -0.0701    -8.3808	O.3	1	noname	-0.2861
304	N57    -6.2047     2.3049    -2.3265	N.3	1	noname	-0.3200
305	C195    -9.3567    10.4118     5.1427	C.2	1	noname	0.0497
306	O47   -10.3682    11.1446     5.0253	O.2	1	noname	-0.2897
307	N58    -8.8355    10.5477     6.4029	N.3	1	noname	-0.0661
308	C196    -7.5790    10.2824     7.0481	C.3	1	noname	0.0878
309	C197    -6.7594     8.9937     6.7596	C.3	1	noname	-0.0288
310	C198    -7.5290     7.6591     7.0083	C.3	1	noname	-0.0501
311	C199    -7.2008     6.5364     5.9803	C.3	1	noname	-0.0408
312	C200    -8.0729     5.2714     6.1618	C.3	1	noname	-0.0076
313	N59    -7.6179     4.1900     5.2882	N.3	1	noname	-0.3304
314	C201    -6.8181    11.5546     6.9176	C.2	1	noname	0.0493
315	O48    -6.5884    12.2470     7.9389	O.2	1	noname	-0.2900
316	N60    -6.5035    12.0192     5.6765	N.3	1	noname	-0.0664
317	C202    -6.1536    13.3721     5.3331	C.3	1	noname	0.0878
318	C203    -4.6682    13.6936     5.6962	C.3	1	noname	-0.0288
319	C204    -4.2949    15.2063     5.6710	C.3	1	noname	-0.0501
320	C205    -4.8462    16.0266     6.8708	C.3	1	noname	-0.0408
321	C206    -4.3854    17.5042     6.8519	C.3	1	noname	-0.0076
322	N61    -4.8282    18.2079     8.0592	N.3	1	noname	-0.3304
323	C207    -6.5301    13.5231     3.8985	C.2	1	noname	0.0485
324	O49    -7.7296    13.3108     3.5924	O.2	1	noname	-0.2902
325	N62    -5.6198    13.8191     2.9241	N.3	1	noname	-0.0684
326	C208    -5.7977    13.5994     1.5211	C.3	1	noname	0.0766
327	C209    -5.7138    14.7725     0.6349	C.2	1	noname	0.0483
328	O50    -5.6988    15.9383     1.0952	O.2	1	noname	-0.2910
329	N63    -5.6647    14.5154    -0.7032	N.3	1	noname	-0.0659
330	C210    -5.5925    15.4731    -1.7632	C.3	1	noname	0.1109
331	C211    -4.1641    16.0583    -1.9196	C.3	1	noname	0.0675
332	O51    -4.1259    17.0346    -2.9566	O.3	1	noname	-0.3941
333	C212    -6.0386    14.8160    -3.0196	C.2	1	noname	0.0499
334	O52    -7.0138    15.3025    -3.6417	O.2	1	noname	-0.2894
335	N64    -5.3919    13.7110    -3.4995	N.3	1	noname	-0.0669
336	C213    -5.7030    13.0693    -4.7376	C.3	1	noname	0.0888
337	C214    -4.9087    11.8438    -4.9250	C.2	1	noname	0.1423
338	O53    -4.0459    11.7633    -5.8285	O.2	1	noname	-0.2506
339	O54    -5.1228    10.7636    -4.1406	O.3	1	noname	-0.2148
340	H1    -9.0970     3.8512    10.6331	H	1	noname	0.0230
341	H2    -9.2914     2.9360     9.1189	H	1	noname	0.0230
342	H3    -8.4025     4.4781     9.1189	H	1	noname	0.0230
343	H4   -10.8504     5.1290    10.2185	H	1	noname	0.0267
344	H5   -10.3364     5.3319     8.4132	H	1	noname	0.0267
345	H6   -11.5183     2.7581     9.2155	H	1	noname	0.0321
346	H7   -11.7907     2.4958     7.0524	H	1	noname	0.0234
347	H8   -12.6868     4.0253     6.8913	H	1	noname	0.0234
348	H9   -10.9079     4.0253     6.8299	H	1	noname	0.0234
349	H10   -13.9527     3.6402     9.0511	H	1	noname	0.0569
350	H11   -13.6835     5.3575     7.2891	H	1	noname	0.1319
351	H12   -14.1697     8.0203     8.5312	H	1	noname	0.0575
352	H13   -13.5382     8.9303     6.3245	H	1	noname	0.0410
353	H14   -12.1839     8.1439     7.3788	H	1	noname	0.0410
354	H15    -9.6205     7.8665     5.0676	H	1	noname	0.0410
355	H16    -9.5405     7.6574     3.1929	H	1	noname	0.0410
356	H17    -9.3048    10.1662     3.0930	H	1	noname	0.0575
357	H18    -7.0818     8.7321     4.1728	H	1	noname	0.1319
358	H19    -5.3399     8.5087     2.0027	H	1	noname	0.0575
359	H20    -4.9894    11.0294     3.5350	H	1	noname	0.0410
360	H21    -4.7391     9.2318     4.0547	H	1	noname	0.0410
361	H22    -0.7819     8.4196     1.5115	H	1	noname	0.0410
362	H23     0.2534     9.1839     2.8930	H	1	noname	0.0410
363	H24     0.9714     7.3858     1.4801	H	1	noname	0.0575
364	H25     2.7215     6.0564     2.0961	H	1	noname	0.1319
365	H26     4.7444     5.8938     2.9094	H	1	noname	0.0570
366	H27     5.3291     6.2065     6.0009	H	1	noname	0.1318
367	H28     3.9598     3.8943     6.9198	H	1	noname	0.0566
368	H29     6.0805     5.4129     9.8343	H	1	noname	0.1318
369	H30     7.8471     6.2747     9.4681	H	1	noname	0.0566
370	H31     8.0701     8.2662     9.0261	H	1	noname	0.1316
371	H32     8.0943    10.2441     7.9844	H	1	noname	0.0529
372	H33     8.0433     9.3026     6.3488	H	1	noname	0.0529
373	H34     5.9200     9.9558     9.1835	H	1	noname	0.1315
374	H35     3.6789     9.8649     9.3410	H	1	noname	0.0529
375	H36     3.6347    10.3582     7.5192	H	1	noname	0.0529
376	H37     2.3654     6.8542     7.5174	H	1	noname	0.1318
377	H38     1.2495     9.1533     9.0361	H	1	noname	0.0570
378	H39     1.1613     5.8033     7.9618	H	1	noname	0.1319
379	H40    -0.8449     4.7273     9.6650	H	1	noname	0.0575
380	H41     1.8337     3.6418     8.7453	H	1	noname	0.0410
381	H42     0.2719     2.6728     9.1767	H	1	noname	0.0410
382	H43     1.5253    -0.0796     5.4448	H	1	noname	0.0410
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385	H46     0.8362    -0.7399     2.3342	H	1	noname	0.1318
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388	H49     1.6689     1.0371    -2.8734	H	1	noname	0.0569
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390	H51    -2.2944     3.1487    -4.2347	H	1	noname	0.0566
391	H52    -2.7442     4.7981    -0.9149	H	1	noname	0.1319
392	H53    -5.4499     5.1580    -1.9069	H	1	noname	0.0569
393	H54    -2.9725     7.0383    -1.3556	H	1	noname	0.1318
394	H55    -3.2645     8.6547     0.7143	H	1	noname	0.0566
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396	H57    -1.5392     8.6537    -1.2430	H	1	noname	0.0287
397	H58    -2.7457     9.8373    -2.0842	H	1	noname	0.0287
398	H59    -1.1797    10.3528     0.4026	H	1	noname	0.0268
399	H60    -0.7443    10.9142    -1.3466	H	1	noname	0.0268
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401	H62    -3.0470    11.7640     0.3681	H	1	noname	0.0279
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410	H71    -3.4713     4.1069     5.7765	H	1	noname	0.0642
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448	H109   -10.1067    -1.3523     0.9818	H	1	noname	0.1318
449	H110   -10.9145    -2.5400    -0.8799	H	1	noname	0.0529
450	H111    -9.5787    -3.3447    -1.9441	H	1	noname	0.0529
451	H112    -8.8559    -4.3867     0.1466	H	1	noname	0.1316
452	H113    -9.2969    -5.0902     2.1362	H	1	noname	0.0569
453	H114   -11.6799    -5.5925     3.5568	H	1	noname	0.1319
454	H115   -11.7207    -4.1545     5.5996	H	1	noname	0.0571
455	H116   -13.4469    -3.1703     3.3740	H	1	noname	0.1319
456	H117   -16.3390    -4.6297     4.8268	H	1	noname	0.0590
457	H118   -15.4363    -2.8202     2.6827	H	1	noname	0.1319
458	H119   -16.7446    -1.1149     2.0977	H	1	noname	0.0590
459	H120   -15.7277    -0.0791     3.9292	H	1	noname	0.1319
460	H121   -15.4660     1.4942     4.7413	H	1	noname	0.0568
461	H122   -17.8268     2.3156     6.5420	H	1	noname	0.0288
462	H123   -16.1206     1.7153     7.0834	H	1	noname	0.0288
463	H124   -17.1816     4.4390     6.6365	H	1	noname	0.0280
464	H125   -15.6218     3.8364     7.5131	H	1	noname	0.0280
465	H126   -15.5710     5.1810     5.1459	H	1	noname	0.0436
466	H127   -14.4710     3.6866     5.4941	H	1	noname	0.0436
467	H128   -17.2057     5.2622     1.8988	H	1	noname	0.0568
468	H129   -14.2295     4.8565     2.8082	H	1	noname	0.0288
469	H130   -14.9083     4.5873     1.0672	H	1	noname	0.0288
470	H131   -13.5737     6.8138     1.8260	H	1	noname	0.0280
471	H132   -15.0930     6.8373     0.7056	H	1	noname	0.0280
472	H133   -14.7501     7.5855     3.5843	H	1	noname	0.0436
473	H134   -15.9942     8.1626     2.2868	H	1	noname	0.0436
474	H135   -17.9103     7.6740     6.0346	H	1	noname	0.0566
475	H136   -15.0754     8.2555     5.3724	H	1	noname	0.1318
476	H137   -17.6279     9.9405     5.5172	H	1	noname	0.0290
477	H138   -16.6034     9.4910     3.9964	H	1	noname	0.0290
478	H139   -18.6620     8.6442     3.0068	H	1	noname	0.0298
479	H140   -19.8383     9.2338     5.6167	H	1	noname	0.0233
480	H141   -20.7595     9.9761     4.2867	H	1	noname	0.0233
481	H142   -20.4525     8.2228     4.2867	H	1	noname	0.0233
482	H143   -18.7654    11.6043     3.7935	H	1	noname	0.0233
483	H144   -17.8609    10.9156     2.4239	H	1	noname	0.0233
484	H145   -19.6405    10.8786     2.4239	H	1	noname	0.0233
485	H146   -19.4110    -1.1753     3.4651	H	1	noname	0.0585
486	H147   -18.8862    -0.1655     1.9587	H	1	noname	0.0585
487	H148   -19.3524    -2.9062     2.2699	H	1	noname	0.2101
488	H149   -14.6544    -5.0965     2.2973	H	1	noname	0.0585
489	H150   -15.0983    -6.4127     3.5758	H	1	noname	0.0585
490	H151   -17.2509    -5.9193     2.9827	H	1	noname	0.2101
491	H152   -11.8174    -1.2743     4.6616	H	1	noname	0.0394
492	H153   -12.4783    -1.9520     6.2951	H	1	noname	0.0394
493	H154   -10.1117    -3.4899     6.8349	H	1	noname	0.2213
494	H155   -11.5462    -7.1183     1.8886	H	1	noname	0.0337
495	H156   -10.0939    -7.0809     0.6829	H	1	noname	0.0337
496	H157   -11.3732    -8.2486     3.8886	H	1	noname	0.0625
497	H158    -9.9939    -9.5799     5.4747	H	1	noname	0.0622
498	H159    -7.5333    -9.7999     5.1198	H	1	noname	0.0622
499	H160    -6.4508    -8.6818     3.1692	H	1	noname	0.0622
500	H161    -7.8138    -7.3326     1.5891	H	1	noname	0.0625
501	H162    -9.6530    -0.1594     2.8777	H	1	noname	0.0287
502	H163    -8.0045     0.7483     3.0291	H	1	noname	0.0287
503	H164    -8.5728     1.9306     1.0149	H	1	noname	0.0268
504	H165   -10.2949     1.1662     1.1356	H	1	noname	0.0268
505	H166   -10.7273     2.3676     3.0619	H	1	noname	0.0279
506	H167    -8.9702     3.0582     3.0566	H	1	noname	0.0279
507	H168    -9.4695     4.3078     1.1256	H	1	noname	0.0425
508	H169   -11.2284     3.6219     1.1388	H	1	noname	0.0425
509	H170   -10.0891     5.7386     2.8330	H	1	noname	0.1184
510	H171   -11.7221     5.1113     2.8330	H	1	noname	0.1184
511	H172    -4.7331    -2.7474     1.9300	H	1	noname	0.0296
512	H173    -3.5794    -2.8895     3.4177	H	1	noname	0.0296
513	H174    -5.4920    -4.8357     2.2658	H	1	noname	0.0380
514	H175    -3.6065    -4.8850     2.3478	H	1	noname	0.0380
515	H176    -3.4763    -7.5655     5.0274	H	1	noname	0.0343
516	H177    -4.3805    -7.7844     3.5099	H	1	noname	0.0343
517	H178    -2.8477    -6.8795     3.5099	H	1	noname	0.0343
518	H179    -2.6074    -3.7405     4.8945	H	1	noname	0.0394
519	H180    -0.9762    -3.0253     5.5207	H	1	noname	0.0394
520	H181    -2.9709    -5.3452     7.8565	H	1	noname	0.2213
521	H182     0.8423     4.2858    12.8751	H	1	noname	0.1319
522	H183     0.0188     2.2446    11.0077	H	1	noname	0.0570
523	H184    -0.5401     3.7547    14.5785	H	1	noname	0.0436
524	H185    -1.5973     5.0260    13.6672	H	1	noname	0.0436
525	H186    -2.0389     3.5926    16.2786	H	1	noname	0.0280
526	H187    -2.4921     5.3422    15.7331	H	1	noname	0.0280
527	H188    -4.2737     3.3207    15.8807	H	1	noname	0.0288
528	H189    -4.2428     4.5825    14.4766	H	1	noname	0.0288
529	H190    -3.2258     1.6578    14.4448	H	1	noname	0.0568
530	H191    -5.4441     4.0269    13.2199	H	1	noname	0.1318
531	H192    -7.1703     3.7447    11.8479	H	1	noname	0.0566
532	H193    -8.5220     0.4401    12.3736	H	1	noname	0.1318
533	H194    -8.5432     1.6345    14.5277	H	1	noname	0.0566
534	H195   -10.9751     3.4322    12.6851	H	1	noname	0.1318
535	H196   -12.9300     1.2122    12.9699	H	1	noname	0.0566
536	H197   -12.8671     4.5504    11.5695	H	1	noname	0.1319
537	H198   -13.1087     4.1166    13.8191	H	1	noname	0.0287
538	H199   -14.6087     2.9954    13.5797	H	1	noname	0.0287
539	H200   -14.0255     1.7133    15.3651	H	1	noname	0.0268
540	H201   -12.3303     2.5365    15.4782	H	1	noname	0.0268
541	H202   -13.3642     4.5042    16.2589	H	1	noname	0.0279
542	H203   -15.0329     3.6223    16.2141	H	1	noname	0.0279
543	H204   -14.3626     2.2175    17.9514	H	1	noname	0.0425
544	H205   -12.6505     3.0130    17.9595	H	1	noname	0.0425
545	H206   -13.5593     4.7929    19.1199	H	1	noname	0.1184
546	H207   -15.1430     4.0498    19.1199	H	1	noname	0.1184
547	H208    -7.6744     3.6875    14.0778	H	1	noname	0.0293
548	H209    -9.1872     4.0940    13.0238	H	1	noname	0.0293
549	H210   -10.5343     4.0794    14.9422	H	1	noname	0.0373
550	H211    -9.0304     3.6519    16.0005	H	1	noname	0.0373
551	H212   -10.4782     6.7392    16.1306	H	1	noname	0.2213
552	H213    -4.9041     2.4491    10.2270	H	1	noname	0.0287
553	H214    -6.4798     3.2106     9.5188	H	1	noname	0.0287
554	H215    -5.6260     5.3100    10.6141	H	1	noname	0.0268
555	H216    -3.9594     4.4274    10.5262	H	1	noname	0.0268
556	H217    -4.1073     4.3330     8.2179	H	1	noname	0.0279
557	H218    -5.8139     5.1382     8.2772	H	1	noname	0.0279
558	H219    -4.2542     6.7283     7.4760	H	1	noname	0.0425
559	H220    -4.5514     7.0686     9.3091	H	1	noname	0.0425
560	H221    -2.2482     5.4858     8.8473	H	1	noname	0.1184
561	H222    -2.1826     7.2339     8.8473	H	1	noname	0.1184
562	H223     1.8743     1.7826    12.6994	H	1	noname	0.0337
563	H224     0.5674     2.0163    14.0417	H	1	noname	0.0337
564	H225     1.5999    -0.0970    11.1229	H	1	noname	0.0625
565	H226     1.0741    -2.5256    11.0242	H	1	noname	0.0622
566	H227    -0.2940    -3.5857    12.8227	H	1	noname	0.0622
567	H228    -1.1379    -2.2072    14.7238	H	1	noname	0.0622
568	H229    -0.6095     0.2205    14.8387	H	1	noname	0.0625
569	H230     1.0959     9.4055     6.4932	H	1	noname	0.0351
570	H231    -0.1311     7.9771     6.6293	H	1	noname	0.0351
571	H232    -0.0333    11.6519     6.2472	H	1	noname	0.0856
572	H233    -3.6551    10.8066     8.2255	H	1	noname	0.1013
573	H234    -2.1662     8.7330     8.3686	H	1	noname	0.1534
574	H235     8.3917     4.2395     7.3195	H	1	noname	0.0287
575	H236     9.6600     5.3411     8.1810	H	1	noname	0.0287
576	H237     7.9295     3.3665     9.5875	H	1	noname	0.0268
577	H238     9.6313     2.9680     8.8738	H	1	noname	0.0268
578	H239    10.5807     4.5659    10.3284	H	1	noname	0.0279
579	H240     8.8757     4.8504    11.0874	H	1	noname	0.0279
580	H241     8.8881     2.6524    11.9300	H	1	noname	0.0425
581	H242    10.5992     2.3781    11.1809	H	1	noname	0.0425
582	H243    11.4720     3.7325    12.8798	H	1	noname	0.1184
583	H244     9.9102     3.7325    13.6681	H	1	noname	0.1184
584	H245     5.4068     2.8029     5.3232	H	1	noname	0.0287
585	H246     6.8939     3.5548     6.2106	H	1	noname	0.0287
586	H247     6.5640     2.1741     8.0185	H	1	noname	0.0268
587	H248     4.9703     1.5050     7.2591	H	1	noname	0.0268
588	H249     6.1894     0.3829     5.6340	H	1	noname	0.0279
589	H250     7.7954     1.1069     6.3128	H	1	noname	0.0279
590	H251     7.5915    -0.1980     8.2381	H	1	noname	0.0425
591	H252     5.9442    -0.8816     7.6189	H	1	noname	0.0425
592	H253     7.1606    -2.4425     6.5061	H	1	noname	0.1184
593	H254     8.6290    -1.4917     6.5061	H	1	noname	0.1184
594	H255     4.0872     8.1731     4.7894	H	1	noname	0.0351
595	H256     5.7869     7.5168     4.2946	H	1	noname	0.0351
596	H257     3.5147    10.3708     3.5366	H	1	noname	0.0856
597	H258     5.5494     9.5905    -0.0740	H	1	noname	0.1013
598	H259     5.9818     7.6430     1.5193	H	1	noname	0.1534
599	H260     0.0769     5.2239     3.1463	H	1	noname	0.1319
600	H261     0.5698     3.5515     1.2885	H	1	noname	0.0566
601	H262     0.3242     5.2277    -1.2744	H	1	noname	0.0292
602	H263     1.6055     5.5906     0.0639	H	1	noname	0.0292
603	H264     2.6520     3.5228    -0.5227	H	1	noname	0.0361
604	H265     1.4983     3.4622    -2.0159	H	1	noname	0.0361
605	H266     1.6614     6.0074    -3.0404	H	1	noname	0.1271
606	H267     3.2758     6.0074    -3.7140	H	1	noname	0.1271
607	H268    -0.8773     2.9081    -0.8281	H	1	noname	0.1318
608	H269    -3.3559     1.2982     1.3570	H	1	noname	0.0566
609	H270    -2.7632    -0.4240    -0.7036	H	1	noname	0.0287
610	H271    -1.0659     0.2819    -0.2732	H	1	noname	0.0287
611	H272    -1.0785    -0.7375     1.7349	H	1	noname	0.0268
612	H273    -2.8892    -1.2334     1.5355	H	1	noname	0.0268
613	H274    -2.3706    -2.9043     0.1231	H	1	noname	0.0279
614	H275    -0.6347    -2.2209    -0.1662	H	1	noname	0.0279
615	H276    -1.6182    -3.5746     2.3201	H	1	noname	0.0425
616	H277    -0.5826    -4.3491     0.9446	H	1	noname	0.0425
617	H278     1.0686    -3.6633     2.4022	H	1	noname	0.1184
618	H279     0.4449    -2.0289     2.4022	H	1	noname	0.1184
619	H280    -3.5225     2.5083    -1.2001	H	1	noname	0.1318
620	H281    -6.3671     0.2959    -2.1369	H	1	noname	0.0563
621	H282    -3.9644     1.4835    -3.5512	H	1	noname	0.0337
622	H283    -4.2064    -0.3485    -3.1646	H	1	noname	0.0337
623	H284    -5.3985     2.5711    -5.1715	H	1	noname	0.0626
624	H285    -6.5505     2.2661    -7.3483	H	1	noname	0.0650
625	H286    -6.6204    -2.0095    -6.7192	H	1	noname	0.0650
626	H287    -5.4740    -1.7122    -4.5354	H	1	noname	0.0626
627	H288    -7.3539    -1.0091    -8.5582	H	1	noname	0.2181
628	H289    -5.6540     3.1501    -2.3754	H	1	noname	0.1191
629	H290    -7.2123     2.3551    -2.3754	H	1	noname	0.1191
630	H291    -9.5502    10.9376     7.0006	H	1	noname	0.1318
631	H292    -7.8888    10.0446     8.0657	H	1	noname	0.0566
632	H293    -6.5457     9.0164     5.6910	H	1	noname	0.0287
633	H294    -5.9408     9.0008     7.4793	H	1	noname	0.0287
634	H295    -7.1792     7.2892     7.9721	H	1	noname	0.0268
635	H296    -8.5839     7.8929     6.8645	H	1	noname	0.0268
636	H297    -7.4593     6.9384     5.0006	H	1	noname	0.0279
637	H298    -6.1773     6.2251     6.1889	H	1	noname	0.0279
638	H299    -7.9154     4.9092     7.1777	H	1	noname	0.0425
639	H300    -9.0787     5.5163     5.8203	H	1	noname	0.0425
640	H301    -8.2670     3.4775     4.9865	H	1	noname	0.1184
641	H302    -6.6546     4.1560     4.9865	H	1	noname	0.1184
642	H303    -6.5318    11.3090     4.9588	H	1	noname	0.1318
643	H304    -6.7568    14.0717     5.9117	H	1	noname	0.0566
644	H305    -4.5450    13.3801     6.7329	H	1	noname	0.0287
645	H306    -4.0679    13.2320     4.9123	H	1	noname	0.0287
646	H307    -3.2094    15.2446     5.7628	H	1	noname	0.0268
647	H308    -4.7817    15.6163     4.7861	H	1	noname	0.0268
648	H309    -5.9293    16.0487     6.7502	H	1	noname	0.0279
649	H310    -4.4064    15.5867     7.7659	H	1	noname	0.0279
650	H311    -3.2963    17.5069     6.8969	H	1	noname	0.0425
651	H312    -4.8979    17.9953     6.0247	H	1	noname	0.0425
652	H313    -4.1596    18.4503     8.7763	H	1	noname	0.1184
653	H314    -5.8020    18.4503     8.1738	H	1	noname	0.1184
654	H315    -4.7599    14.2266     3.2627	H	1	noname	0.1316
655	H316    -4.9636    12.9573     1.2383	H	1	noname	0.0529
656	H317    -6.8211    13.2352     1.4303	H	1	noname	0.0529
657	H318    -5.6833    13.5310    -0.9285	H	1	noname	0.1319
658	H319    -6.2916    16.2641    -1.4920	H	1	noname	0.0590
659	H320    -3.9237    16.6066    -1.0088	H	1	noname	0.0585
660	H321    -3.5086    15.2580    -2.2631	H	1	noname	0.0585
661	H322    -4.0946    16.5947    -3.8093	H	1	noname	0.2101
662	H323    -4.6515    13.3529    -2.9134	H	1	noname	0.1316
663	H324    -6.7457    12.7617    -4.6585	H	1	noname	0.0541
664	H325    -5.3982    13.7666    -5.5180	H	1	noname	0.0541
665	H326    -5.0714    11.0230    -3.2178	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	3	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	12	13	1
13	13	14	1
14	14	15	1
15	15	16	1
16	16	17	2
17	16	18	1
18	18	19	1
19	19	20	1
20	20	21	1
21	21	22	1
22	22	23	1
23	23	24	1
24	24	25	2
25	24	26	1
26	26	27	1
27	27	28	1
28	28	29	2
29	28	30	1
30	30	31	1
31	31	32	1
32	32	33	2
33	32	34	1
34	34	35	1
35	35	36	1
36	36	37	2
37	36	38	1
38	38	39	1
39	39	40	1
40	40	41	2
41	40	42	1
42	42	43	1
43	43	44	1
44	44	45	2
45	44	46	1
46	46	47	1
47	47	48	1
48	48	49	2
49	48	50	1
50	50	51	1
51	51	52	1
52	52	53	1
53	53	54	1
54	54	55	1
55	55	56	1
56	56	57	1
57	57	58	2
58	57	59	1
59	59	60	1
60	60	61	1
61	61	62	2
62	61	63	1
63	63	64	1
64	64	65	1
65	65	66	2
66	65	67	1
67	67	68	1
68	68	69	1
69	69	70	2
70	69	71	1
71	71	72	1
72	72	73	1
73	73	74	2
74	73	75	1
75	75	76	1
76	76	77	1
77	77	78	2
78	77	79	1
79	18	79	1
80	76	80	1
81	80	81	1
82	81	82	1
83	82	83	1
84	83	84	1
85	72	85	1
86	85	86	1
87	86	87	2
88	87	88	1
89	88	89	1
90	89	90	2
91	90	91	1
92	91	92	2
93	92	93	1
94	93	94	2
95	89	94	1
96	86	94	1
97	68	95	1
98	95	96	1
99	96	97	1
100	97	98	1
101	98	99	1
102	99	100	2
103	99	101	1
104	64	102	1
105	102	103	1
106	103	104	2
107	104	105	1
108	105	106	1
109	106	107	2
110	107	108	1
111	108	109	2
112	109	110	1
113	110	111	2
114	106	111	1
115	103	111	1
116	60	112	1
117	112	113	1
118	113	114	1
119	114	115	1
120	115	116	1
121	116	117	2
122	116	118	1
123	56	119	1
124	119	120	1
125	120	121	2
126	120	122	1
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128	123	124	1
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131	126	127	1
132	127	128	1
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134	128	130	1
135	130	131	1
136	131	132	1
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160	155	156	1
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173	166	167	2
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177	9	170	1
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198	185	190	1
199	130	191	1
200	191	192	1
201	192	193	1
202	193	194	1
203	194	195	1
204	126	196	1
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210	201	202	2
211	201	203	1
212	51	204	1
213	204	205	2
214	204	206	1
215	206	207	1
216	207	208	1
217	208	209	2
218	208	210	1
219	210	211	1
220	211	212	1
221	212	213	1
222	213	214	1
223	210	214	1
224	214	215	1
225	215	216	2
226	215	217	1
227	217	218	1
228	218	219	1
229	219	220	2
230	219	221	1
231	221	222	1
232	222	223	1
233	223	224	2
234	223	225	1
235	225	226	1
236	226	227	1
237	227	228	2
238	227	229	1
239	5	229	1
240	226	230	1
241	230	231	1
242	231	232	1
243	232	233	1
244	233	234	1
245	222	235	1
246	235	236	1
247	236	237	1
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249	237	239	1
250	218	240	1
251	240	241	1
252	241	242	1
253	242	243	1
254	243	244	1
255	207	245	1
256	245	246	1
257	246	247	2
258	247	248	1
259	248	249	2
260	249	250	1
261	250	251	2
262	246	251	1
263	47	252	1
264	252	253	1
265	253	254	2
266	254	255	1
267	255	256	2
268	256	257	1
269	253	257	1
270	35	258	1
271	258	259	1
272	259	260	1
273	260	261	1
274	261	262	1
275	31	263	1
276	263	264	1
277	264	265	1
278	265	266	1
279	266	267	1
280	27	268	1
281	268	269	1
282	269	270	2
283	270	271	1
284	271	272	2
285	272	273	1
286	269	273	1
287	23	274	1
288	274	275	1
289	275	276	2
290	275	277	1
291	277	278	1
292	278	279	1
293	279	280	1
294	280	281	2
295	280	282	1
296	277	283	1
297	283	284	1
298	284	285	2
299	284	286	1
300	286	287	1
301	287	288	1
302	288	289	1
303	289	290	1
304	290	291	1
305	286	292	1
306	292	293	1
307	293	294	2
308	293	295	1
309	295	296	1
310	296	297	1
311	297	298	2
312	298	299	1
313	299	300	2
314	300	301	1
315	301	302	2
316	297	302	1
317	300	303	1
318	295	304	1
319	14	305	1
320	305	306	2
321	305	307	1
322	307	308	1
323	308	309	1
324	309	310	1
325	310	311	1
326	311	312	1
327	312	313	1
328	308	314	1
329	314	315	2
330	314	316	1
331	316	317	1
332	317	318	1
333	318	319	1
334	319	320	1
335	320	321	1
336	321	322	1
337	317	323	1
338	323	324	2
339	323	325	1
340	325	326	1
341	326	327	1
342	327	328	2
343	327	329	1
344	329	330	1
345	330	331	1
346	331	332	1
347	330	333	1
348	333	334	2
349	333	335	1
350	335	336	1
351	336	337	1
352	337	338	2
353	337	339	1
354	1	340	1
355	1	341	1
356	1	342	1
357	2	343	1
358	2	344	1
359	3	345	1
360	4	346	1
361	4	347	1
362	4	348	1
363	5	349	1
364	8	350	1
365	9	351	1
366	10	352	1
367	10	353	1
368	13	354	1
369	13	355	1
370	14	356	1
371	15	357	1
372	18	358	1
373	19	359	1
374	19	360	1
375	22	361	1
376	22	362	1
377	23	363	1
378	26	364	1
379	27	365	1
380	30	366	1
381	31	367	1
382	34	368	1
383	35	369	1
384	38	370	1
385	39	371	1
386	39	372	1
387	42	373	1
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389	43	375	1
390	46	376	1
391	47	377	1
392	50	378	1
393	51	379	1
394	52	380	1
395	52	381	1
396	55	382	1
397	55	383	1
398	56	384	1
399	59	385	1
400	60	386	1
401	63	387	1
402	64	388	1
403	67	389	1
404	68	390	1
405	71	391	1
406	72	392	1
407	75	393	1
408	76	394	1
409	79	395	1
410	80	396	1
411	80	397	1
412	81	398	1
413	81	399	1
414	82	400	1
415	82	401	1
416	83	402	1
417	83	403	1
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420	85	406	1
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423	88	409	1
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425	91	411	1
426	92	412	1
427	93	413	1
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429	95	415	1
430	96	416	1
431	96	417	1
432	97	418	1
433	97	419	1
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436	101	422	1
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439	102	425	1
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442	107	428	1
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448	113	434	1
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450	114	436	1
451	114	437	1
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454	118	440	1
455	118	441	1
456	119	442	1
457	122	443	1
458	123	444	1
459	126	445	1
460	127	446	1
461	130	447	1
462	131	448	1
463	134	449	1
464	134	450	1
465	135	451	1
466	138	452	1
467	139	453	1
468	142	454	1
469	143	455	1
470	146	456	1
471	147	457	1
472	150	458	1
473	151	459	1
474	154	460	1
475	155	461	1
476	155	462	1
477	156	463	1
478	156	464	1
479	157	465	1
480	157	466	1
481	161	467	1
482	162	468	1
483	162	469	1
484	163	470	1
485	163	471	1
486	164	472	1
487	164	473	1
488	168	474	1
489	169	475	1
490	172	476	1
491	172	477	1
492	173	478	1
493	174	479	1
494	174	480	1
495	174	481	1
496	175	482	1
497	175	483	1
498	175	484	1
499	176	485	1
500	176	486	1
501	177	487	1
502	178	488	1
503	178	489	1
504	179	490	1
505	180	491	1
506	180	492	1
507	183	493	1
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509	184	495	1
510	186	496	1
511	187	497	1
512	188	498	1
513	189	499	1
514	190	500	1
515	191	501	1
516	191	502	1
517	192	503	1
518	192	504	1
519	193	505	1
520	193	506	1
521	194	507	1
522	194	508	1
523	195	509	1
524	195	510	1
525	196	511	1
526	196	512	1
527	197	513	1
528	197	514	1
529	199	515	1
530	199	516	1
531	199	517	1
532	200	518	1
533	200	519	1
534	203	520	1
535	206	521	1
536	207	522	1
537	211	523	1
538	211	524	1
539	212	525	1
540	212	526	1
541	213	527	1
542	213	528	1
543	214	529	1
544	217	530	1
545	218	531	1
546	221	532	1
547	222	533	1
548	225	534	1
549	226	535	1
550	229	536	1
551	230	537	1
552	230	538	1
553	231	539	1
554	231	540	1
555	232	541	1
556	232	542	1
557	233	543	1
558	233	544	1
559	234	545	1
560	234	546	1
561	235	547	1
562	235	548	1
563	236	549	1
564	236	550	1
565	239	551	1
566	240	552	1
567	240	553	1
568	241	554	1
569	241	555	1
570	242	556	1
571	242	557	1
572	243	558	1
573	243	559	1
574	244	560	1
575	244	561	1
576	245	562	1
577	245	563	1
578	247	564	1
579	248	565	1
580	249	566	1
581	250	567	1
582	251	568	1
583	252	569	1
584	252	570	1
585	254	571	1
586	256	572	1
587	257	573	1
588	258	574	1
589	258	575	1
590	259	576	1
591	259	577	1
592	260	578	1
593	260	579	1
594	261	580	1
595	261	581	1
596	262	582	1
597	262	583	1
598	263	584	1
599	263	585	1
600	264	586	1
601	264	587	1
602	265	588	1
603	265	589	1
604	266	590	1
605	266	591	1
606	267	592	1
607	267	593	1
608	268	594	1
609	268	595	1
610	270	596	1
611	272	597	1
612	273	598	1
613	274	599	1
614	277	600	1
615	278	601	1
616	278	602	1
617	279	603	1
618	279	604	1
619	282	605	1
620	282	606	1
621	283	607	1
622	286	608	1
623	287	609	1
624	287	610	1
625	288	611	1
626	288	612	1
627	289	613	1
628	289	614	1
629	290	615	1
630	290	616	1
631	291	617	1
632	291	618	1
633	292	619	1
634	295	620	1
635	296	621	1
636	296	622	1
637	298	623	1
638	299	624	1
639	301	625	1
640	302	626	1
641	303	627	1
642	304	628	1
643	304	629	1
644	307	630	1
645	308	631	1
646	309	632	1
647	309	633	1
648	310	634	1
649	310	635	1
650	311	636	1
651	311	637	1
652	312	638	1
653	312	639	1
654	313	640	1
655	313	641	1
656	316	642	1
657	317	643	1
658	318	644	1
659	318	645	1
660	319	646	1
661	319	647	1
662	320	648	1
663	320	649	1
664	321	650	1
665	321	651	1
666	322	652	1
667	322	653	1
668	325	654	1
669	326	655	1
670	326	656	1
671	329	657	1
672	330	658	1
673	331	659	1
674	331	660	1
675	332	661	1
676	335	662	1
677	336	663	1
678	336	664	1
679	339	665	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
