@<TRIPOS>MOLECULE

849 866 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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217	C128   -11.9187    -3.3585     2.0151	C.3	1	noname	-0.0408
218	C129    -8.8169    -6.3530    -0.7279	C.3	1	noname	-0.0035
219	C130    -9.3391    -7.7385    -0.5577	C.2	1	noname	-0.0541
220	C131    -9.1621    -8.4178     0.6680	C.2	1	noname	-0.0567
221	C132    -9.4679    -9.7869     0.7856	C.2	1	noname	-0.0604
222	C133   -10.0143   -10.4821    -0.3070	C.2	1	noname	-0.0616
223	C134   -10.2636    -9.8028    -1.5116	C.2	1	noname	-0.0604
224	C135    -9.9388    -8.4384    -1.6314	C.2	1	noname	-0.0567
225	C136    -6.9125    -2.1212    -2.6719	C.3	1	noname	-0.0034
226	C137    -6.2191    -3.1075    -3.5559	C.2	1	noname	-0.0541
227	C138    -6.7917    -4.3771    -3.8110	C.2	1	noname	-0.0567
228	C139    -6.1341    -5.3180    -4.6244	C.2	1	noname	-0.0604
229	C140    -4.9003    -4.9988    -5.2156	C.2	1	noname	-0.0616
230	C141    -4.3254    -3.7371    -4.9908	C.2	1	noname	-0.0604
231	C142    -4.9752    -2.8017    -4.1626	C.2	1	noname	-0.0567
232	C143    -4.4957     1.6633    -0.6406	C.3	1	noname	-0.0276
233	C144    -3.4488     1.6017    -1.7889	C.3	1	noname	-0.0382
234	C145    -3.9585     2.2798    -3.0850	C.3	1	noname	0.0024
235	N43    -3.0285     2.0949    -4.1513	N.3	1	noname	-0.1252
236	C146    -3.1926     2.5361    -5.3941	C.2	1	noname	-0.1456
237	N44    -2.2983     2.2545    -6.2592	N.2	1	noname	-0.2746
238	N45    -4.2301     3.2496    -5.7839	N.3	1	noname	-0.1344
239	C147     0.2717     2.0118     0.6911	C.3	1	noname	-0.0016
240	C148    -0.2269     3.2694     1.2900	C.2	1	noname	-0.0315
241	C149    -0.9509     4.2669     0.6295	C.2	1	noname	-0.1057
242	N46    -1.2120     5.2751     1.4768	N.3	1	noname	-0.0759
243	C150    -0.6809     4.9824     2.6713	C.2	1	noname	-0.0886
244	C151    -0.6792     5.7284     3.8611	C.2	1	noname	-0.0441
245	C152    -0.0313     5.1855     4.9899	C.2	1	noname	-0.0512
246	C153     0.6008     3.9241     4.9183	C.2	1	noname	-0.0540
247	C154     0.5973     3.1887     3.7142	C.2	1	noname	-0.0400
248	C155    -0.0570     3.7359     2.5945	C.2	1	noname	-0.0322
249	C156     3.6831    -1.4021     1.6549	C.3	1	noname	-0.0408
250	C157    -0.4542    -5.9661     0.7828	C.3	1	noname	-0.0035
251	C158    -1.4599    -5.0073     0.2369	C.2	1	noname	-0.0541
252	C159    -2.1251    -4.0652     1.0589	C.2	1	noname	-0.0567
253	C160    -3.0124    -3.1257     0.5081	C.2	1	noname	-0.0604
254	C161    -3.2751    -3.1313    -0.8726	C.2	1	noname	-0.0616
255	C162    -2.6641    -4.0954    -1.6917	C.2	1	noname	-0.0604
256	C163    -1.7713    -5.0277    -1.1421	C.2	1	noname	-0.0567
257	C164     0.1518    -3.6486     5.8553	C.3	1	noname	0.0577
258	C165     0.7373    -2.4000     5.1963	C.2	1	noname	0.1358
259	O44     1.9284    -2.3165     4.8237	O.2	1	noname	-0.2553
260	O45    -0.0346    -1.3020     5.0281	O.3	1	noname	-0.2184
261	C166     0.4710    -5.8685     8.7612	C.3	1	noname	-0.0408
262	C167     3.3228    -1.5777     8.7193	C.3	1	noname	-0.0227
263	C168     4.5703    -2.2714     8.1004	C.3	1	noname	-0.0608
264	C169     3.7287    -0.7627     9.9798	C.3	1	noname	-0.0608
265	C170    -0.6073    -1.1255    12.5358	C.3	1	noname	-0.0288
266	C171     0.6532    -0.2205    12.6232	C.3	1	noname	-0.0501
267	C172     0.9658     0.2629    14.0628	C.3	1	noname	-0.0408
268	C173     2.2732     1.0898    14.1309	C.3	1	noname	-0.0076
269	N47     2.5646     1.4915    15.5105	N.3	1	noname	-0.3304
270	C174    -8.1343    -3.0997     8.9900	C.3	1	noname	-0.0288
271	C175    -7.2936    -2.1690     8.0721	C.3	1	noname	-0.0501
272	C176    -8.1440    -1.0469     7.4127	C.3	1	noname	-0.0408
273	C177    -7.2998    -0.0968     6.5290	C.3	1	noname	-0.0076
274	N48    -8.1276     0.9795     5.9717	N.3	1	noname	-0.3304
275	C178   -10.9403    -7.4164     3.5589	C.2	1	noname	0.0497
276	O46   -11.3580    -6.7636     2.5750	O.2	1	noname	-0.2897
277	N49   -11.3858    -8.6998     3.7673	N.3	1	noname	-0.0661
278	C179   -12.5457    -9.3459     3.1767	C.3	1	noname	0.0878
279	C180   -12.4844   -10.7982     3.5034	C.2	1	noname	0.0493
280	O47   -13.1919   -11.2335     4.4443	O.2	1	noname	-0.2900
281	N50   -11.6752   -11.6515     2.8105	N.3	1	noname	-0.0664
282	C181   -11.4812   -13.0452     3.0977	C.3	1	noname	0.0883
283	C182   -12.6884   -13.8870     2.8941	C.2	1	noname	0.0494
284	O48   -13.1551   -14.4991     3.8856	O.2	1	noname	-0.2900
285	N51   -13.2059   -14.0876     1.6492	N.3	1	noname	-0.0661
286	C183   -14.0873   -15.1671     1.3020	C.3	1	noname	0.0918
287	C184   -13.9042   -15.4586    -0.1434	C.2	1	noname	0.0497
288	O49   -12.7571   -15.7914    -0.5313	O.2	1	noname	-0.2899
289	N52   -14.9420   -15.4277    -1.0285	N.3	1	noname	-0.0657
290	C185   -14.9009   -15.9048    -2.3765	C.3	1	noname	0.0976
291	C186   -16.2185   -15.5574    -3.1208	C.3	1	noname	0.0280
292	S5   -16.4653   -13.7731    -3.3921	S.3	1	noname	-0.0918
293	S6   -17.6748   -13.1331    -1.7997	S.3	1	noname	-0.0918
294	C187   -19.3534   -13.6343    -2.3067	C.3	1	noname	0.0280
295	C188   -19.8841   -12.9116    -3.5830	C.3	1	noname	0.0976
296	C189   -21.1507   -13.4552    -4.1420	C.2	1	noname	0.0498
297	O50   -21.5443   -13.0190    -5.2501	O.2	1	noname	-0.2897
298	N53   -21.8770   -14.4057    -3.4930	N.3	1	noname	-0.0658
299	C190   -23.0854   -15.0258    -3.9550	C.3	1	noname	0.0960
300	C191   -22.9315   -15.8028    -5.2230	C.2	1	noname	0.0495
301	O51   -23.8154   -15.6589    -6.0989	O.2	1	noname	-0.2899
302	N54   -21.9464   -16.6857    -5.5652	N.3	1	noname	-0.0662
303	C192   -20.7425   -17.0232    -4.8638	C.3	1	noname	0.0883
304	C193   -19.5764   -16.4297    -5.5854	C.2	1	noname	0.0541
305	O52   -18.7957   -15.7753    -4.8565	O.2	1	noname	-0.2884
306	N55   -19.2608   -16.5456    -6.9359	N.3	1	noname	-0.0560
307	C194   -20.0667   -17.1955    -7.9256	C.3	1	noname	0.0067
308	C195   -19.0796   -17.6126    -9.0265	C.3	1	noname	-0.0379
309	C196   -18.0190   -16.5070    -8.9855	C.3	1	noname	-0.0274
310	C197   -18.0223   -16.0580    -7.5007	C.3	1	noname	0.0907
311	C198   -17.7790   -14.5976    -7.3285	C.2	1	noname	0.0495
312	O53   -16.8910   -14.2449    -6.5173	O.2	1	noname	-0.2899
313	N56   -18.4732   -13.6601    -8.0407	N.3	1	noname	-0.0661
314	C199   -20.6252   -18.5588    -4.6038	C.3	1	noname	-0.0265
315	C200   -19.4421   -18.9956    -3.6627	C.3	1	noname	-0.0451
316	C201   -19.8090   -20.2562    -2.8279	C.3	1	noname	-0.0627
317	C202   -18.1110   -19.2476    -4.4301	C.3	1	noname	-0.0627
318	C203   -23.6822   -15.9335    -2.8385	C.3	1	noname	0.0452
319	C204   -24.0109   -15.1951    -1.5987	C.2	1	noname	0.0335
320	O54   -23.4228   -15.4558    -0.5247	O.2	1	noname	-0.2978
321	N57   -24.9520   -14.2326    -1.5927	N.3	1	noname	-0.0903
322	N58   -20.1247   -11.5304    -3.2885	N.3	1	noname	-0.0658
323	C205   -19.5059   -10.4604    -3.8599	C.2	1	noname	0.0494
324	O55   -18.5748   -10.6080    -4.6865	O.2	1	noname	-0.2900
325	C206   -19.9366    -9.0846    -3.5052	C.3	1	noname	0.0850
326	C207   -21.3984    -8.8284    -3.9508	C.3	1	noname	-0.0408
327	N59   -19.8073    -8.8129    -2.1034	N.3	1	noname	-0.0668
328	C208   -18.6522    -8.8572    -1.3776	C.2	1	noname	0.0489
329	O56   -17.5715    -9.2195    -1.9016	O.2	1	noname	-0.2902
330	C209   -18.6607    -8.4484     0.0472	C.3	1	noname	0.0794
331	C210   -19.6118    -9.3267     0.9126	C.3	1	noname	-0.0201
332	C211   -19.5405    -9.0067     2.4320	C.3	1	noname	0.0354
333	C212   -20.4552    -9.8443     3.2318	C.2	1	noname	0.1348
334	O57   -20.3031   -11.0857     3.2876	O.2	1	noname	-0.2559
335	O58   -21.4706    -9.2831     3.9296	O.3	1	noname	-0.2189
336	N60   -19.0389    -7.0280     0.1087	N.3	1	noname	-0.3203
337	C213   -14.6742   -17.3763    -2.3599	C.2	1	noname	0.0489
338	O59   -15.5178   -18.1207    -1.8027	O.2	1	noname	-0.2899
339	N61   -13.5378   -17.8942    -2.9030	N.3	1	noname	-0.0682
340	C214   -13.1651   -19.2726    -2.8586	C.3	1	noname	0.0766
341	C215   -11.8516   -19.4764    -3.4999	C.2	1	noname	0.0478
342	O60   -10.8641   -18.8327    -3.0710	O.2	1	noname	-0.2911
343	N62   -11.7257   -20.3607    -4.5295	N.3	1	noname	-0.0672
344	C216   -10.5235   -20.6455    -5.2613	C.3	1	noname	0.0903
345	C217   -10.8385   -21.4698    -6.5616	C.3	1	noname	-0.0227
346	C218   -11.8176   -20.7107    -7.5067	C.3	1	noname	-0.0608
347	C219    -9.5558   -21.8662    -7.3514	C.3	1	noname	-0.0608
348	C220    -9.4867   -21.2711    -4.3757	C.2	1	noname	0.0546
349	O61    -8.4250   -20.6119    -4.2495	O.2	1	noname	-0.2882
350	N63    -9.5926   -22.4813    -3.7010	N.3	1	noname	-0.0552
351	C221   -10.7574   -23.3155    -3.6755	C.3	1	noname	0.0068
352	C222   -10.6030   -24.1679    -2.4070	C.3	1	noname	-0.0379
353	C223    -9.0854   -24.3461    -2.2935	C.3	1	noname	-0.0263
354	C224    -8.5213   -23.0407    -2.9093	C.3	1	noname	0.1028
355	C225    -7.2758   -23.2841    -3.6784	C.2	1	noname	0.1441
356	O62    -7.2807   -23.9961    -4.7085	O.2	1	noname	-0.2493
357	O63    -6.1068   -22.7270    -3.2856	O.3	1	noname	-0.2138
358	C226   -15.5641   -14.9429     1.7729	C.3	1	noname	-0.0035
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360	C228   -16.1317   -17.3222     2.4157	C.2	1	noname	-0.0475
361	C229   -16.8881   -18.4992     2.2638	C.2	1	noname	-0.0312
362	C230   -17.9531   -18.5414     1.3442	C.2	1	noname	-0.0019
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364	C232   -17.5109   -16.2170     0.7505	C.2	1	noname	-0.0475
365	O64   -18.6853   -19.6714     1.1753	O.3	1	noname	-0.2861
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368	C235    -8.7030   -15.5425     1.8933	C.2	1	noname	0.1348
369	O65    -7.6313   -15.8882     2.4405	O.2	1	noname	-0.2559
370	O66    -8.8100   -15.6643     0.5499	O.3	1	noname	-0.2189
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392	O70    -0.2416    -9.6278    11.2340	O.3	1	noname	-0.2189
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402	O72     5.8661   -17.1077     6.9391	O.3	1	noname	-0.2861
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427	N71    -9.9283     2.6942    -4.5014	N.3	1	noname	-0.0909
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429	C277   -22.5428    -5.7279    -7.6914	C.3	1	noname	-0.0382
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431	N72   -23.8584    -4.1708    -6.3448	N.3	1	noname	-0.1252
432	C279   -24.6604    -3.6774    -5.4059	C.2	1	noname	-0.1456
433	N73   -25.0287    -4.3403    -4.3759	N.2	1	noname	-0.2746
434	N74   -25.1003    -2.4474    -5.5482	N.3	1	noname	-0.1344
435	C280   -21.5175   -11.4018   -11.5029	C.3	1	noname	-0.0227
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439	H2   -16.9699    -8.7948   -10.5068	H	1	noname	0.0230
440	H3   -15.4804    -8.7948    -9.5322	H	1	noname	0.0230
441	H4   -16.4068    -9.9723    -7.9053	H	1	noname	0.0267
442	H5   -18.0408    -9.7048    -8.8124	H	1	noname	0.0267
443	H6   -17.5439   -11.8800    -9.9534	H	1	noname	0.0321
444	H7   -15.5991   -12.5029    -7.7201	H	1	noname	0.0234
445	H8   -15.8692   -13.3657    -9.2533	H	1	noname	0.0234
446	H9   -15.0464   -11.7873    -9.2533	H	1	noname	0.0234
447	H10   -17.9763   -11.9986    -6.9480	H	1	noname	0.0569
448	H11   -19.4494   -11.9075   -10.1707	H	1	noname	0.1319
449	H12   -22.1123   -11.9453    -9.4002	H	1	noname	0.0569
450	H13   -20.0595    -9.0776    -9.6689	H	1	noname	0.1318
451	H14   -22.1837    -7.3189   -10.0063	H	1	noname	0.0566
452	H15   -19.1185    -7.4333    -8.1288	H	1	noname	0.1316
453	H16   -17.1579    -6.2283    -8.8606	H	1	noname	0.0529
454	H17   -18.3609    -4.8684    -9.3781	H	1	noname	0.0529
455	H18   -17.1810    -7.6272    -6.9321	H	1	noname	0.0436
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465	H28   -13.1822    -3.5755    -4.9491	H	1	noname	0.0410
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475	H38     0.3364    -1.5260    -5.8832	H	1	noname	0.0571
476	H39     2.7001    -2.5868    -6.1183	H	1	noname	0.1316
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478	H41     3.9348    -4.4495    -6.5706	H	1	noname	0.0529
479	H42     3.5386    -4.4440    -4.2826	H	1	noname	0.1318
480	H43     1.4168    -6.2954    -3.3447	H	1	noname	0.0571
481	H44     1.9602    -7.8691    -2.1206	H	1	noname	0.1318
482	H45     4.6116    -7.9599    -0.7700	H	1	noname	0.0566
483	H46     2.4872   -10.6697    -0.3817	H	1	noname	0.1319
484	H47     4.4379   -12.1246    -1.9973	H	1	noname	0.0569
485	H48     2.1678   -12.3703     0.8065	H	1	noname	0.1319
486	H49     3.3517   -14.8076     1.7700	H	1	noname	0.0569
487	H50     2.2831   -13.7809     4.5516	H	1	noname	0.1319
488	H51     0.6489   -15.1351     5.4343	H	1	noname	0.0590
489	H52    -1.5925   -14.2571     6.5174	H	1	noname	0.1318
490	H53    -2.3974   -12.9572     8.0986	H	1	noname	0.0566
491	H54    -1.7794    -9.7815     7.6220	H	1	noname	0.1318
492	H55    -3.4357    -8.8903     5.6389	H	1	noname	0.0566
493	H56    -6.9409    -9.3164     6.7111	H	1	noname	0.1318
494	H57    -6.2353    -6.7057     6.8965	H	1	noname	0.0566
495	H58    -8.1652    -7.1497     3.9317	H	1	noname	0.1319
496	H59    -9.8134    -5.6939     4.2150	H	1	noname	0.0575
497	H60   -12.0148    -6.1860     5.3759	H	1	noname	0.0410
498	H61   -11.0323    -7.5311     6.2644	H	1	noname	0.0410
499	H62   -11.6692    -7.9949     9.8783	H	1	noname	0.0410
500	H63   -10.5559    -7.9631     8.3539	H	1	noname	0.0410
501	H64    -9.9458    -6.9486    11.1200	H	1	noname	0.0575
502	H65    -8.2117    -9.0084     8.6200	H	1	noname	0.1319
503	H66    -8.3081   -11.2217    10.4615	H	1	noname	0.0569
504	H67    -7.3552   -12.6049     6.9915	H	1	noname	0.1318
505	H68    -8.7276   -10.0766     7.0921	H	1	noname	0.0566
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507	H70    -7.0513   -10.7638     2.7528	H	1	noname	0.0570
508	H71    -3.2433    -8.6156     3.0803	H	1	noname	0.0436
509	H72    -2.9362    -9.3164     1.3543	H	1	noname	0.0436
510	H73    -3.7577    -6.6398     2.2082	H	1	noname	0.0280
511	H74    -3.3630    -7.3158     0.4902	H	1	noname	0.0280
512	H75    -5.9351    -6.9759     1.9342	H	1	noname	0.0288
513	H76    -5.5372    -7.1042     0.0932	H	1	noname	0.0288
514	H77    -6.7247    -9.2876     1.4793	H	1	noname	0.0568
515	H78    -3.9933    -8.6250    -0.7288	H	1	noname	0.1319
516	H79    -4.6407   -10.1769    -2.8300	H	1	noname	0.0569
517	H80    -6.1947   -10.2363    -4.4969	H	1	noname	0.1316
518	H81    -8.5869   -10.1284    -4.7487	H	1	noname	0.0529
519	H82    -8.4127    -8.3097    -4.2731	H	1	noname	0.0529
520	H83    -8.4917    -6.9479    -5.9316	H	1	noname	0.1315
521	H84    -7.3280    -7.6052    -8.4594	H	1	noname	0.0529
522	H85    -9.2128    -7.5120    -8.4049	H	1	noname	0.0529
523	H86    -9.7086    -5.3899    -6.9636	H	1	noname	0.1319
524	H87    -4.2324    -7.8914    -4.2243	H	1	noname	0.0337
525	H88    -3.8602    -7.2428    -2.4908	H	1	noname	0.0337
526	H89    -2.4627    -8.1958    -5.5293	H	1	noname	0.0626
527	H90    -0.0475    -8.6595    -5.8134	H	1	noname	0.0650
528	H91     0.3315    -9.3409    -1.5665	H	1	noname	0.0650
529	H92    -2.0817    -8.8269    -1.2590	H	1	noname	0.0626
530	H93     2.0628    -9.3370    -3.0486	H	1	noname	0.2181
531	H94    -5.2364   -13.0852     3.7283	H	1	noname	0.0337
532	H95    -7.0400   -13.2663     3.2005	H	1	noname	0.0337
533	H96    -3.5510   -13.4678     2.2423	H	1	noname	0.0625
534	H97    -2.8461   -14.0798    -0.0621	H	1	noname	0.0622
535	H98    -4.5130   -14.0965    -1.9197	H	1	noname	0.0622
536	H99    -6.8874   -13.4751    -1.4686	H	1	noname	0.0622
537	H100    -7.5956   -12.8304     0.8264	H	1	noname	0.0625
538	H101   -10.4898   -11.2029     5.5920	H	1	noname	0.0290
539	H102    -9.5334   -12.8017     5.8978	H	1	noname	0.0290
540	H103   -11.7564   -12.6752     6.8363	H	1	noname	0.0298
541	H104   -10.5835   -13.0286     9.3795	H	1	noname	0.0233
542	H105   -11.0254   -14.2588     8.1714	H	1	noname	0.0233
543	H106    -9.3888   -13.5591     8.1714	H	1	noname	0.0233
544	H107   -11.4077   -11.1930     9.2256	H	1	noname	0.0233
545	H108   -10.9241   -10.1228     7.8880	H	1	noname	0.0233
546	H109   -12.5378   -10.8738     7.8880	H	1	noname	0.0233
547	H110    -5.8386    -9.5147     9.8392	H	1	noname	0.0318
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549	H112    -5.6349    -8.9228    12.1993	H	1	noname	0.0234
550	H113    -7.3888    -8.9228    11.8961	H	1	noname	0.0234
551	H114    -5.0112   -11.4912    11.8236	H	1	noname	0.0234
552	H115    -5.5075   -12.2563    10.2950	H	1	noname	0.0234
553	H116    -4.2362   -11.0105    10.2950	H	1	noname	0.0234
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562	H125     1.8902    -3.1411     8.0706	H	1	noname	0.0569
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564	H127     2.3138    -6.8223     8.6668	H	1	noname	0.0563
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566	H129     0.4801    -5.8606     5.9171	H	1	noname	0.0571
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587	H150   -10.8926    -2.4368     0.3048	H	1	noname	0.0563
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625	H188    -4.1319     4.2437    -5.9332	H	1	noname	0.1267
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631	H194    -1.1674     6.7019     3.9073	H	1	noname	0.0642
632	H195    -0.0189     5.7454     5.9250	H	1	noname	0.0623
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636	H199     4.5283    -1.9841     1.2877	H	1	noname	0.0251
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639	H202    -1.0496    -6.6811     1.3506	H	1	noname	0.0337
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641	H204    -3.4972    -2.3921     1.1523	H	1	noname	0.0622
642	H205    -3.9489    -2.3921    -1.3058	H	1	noname	0.0622
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659	H222    -0.3703    -2.0191    13.1133	H	1	noname	0.0287
660	H223     1.4944    -0.8487    12.3302	H	1	noname	0.0268
661	H224     0.4183     0.6772    12.0515	H	1	noname	0.0268
662	H225     0.1607     0.9448    14.3365	H	1	noname	0.0279
663	H226     1.1437    -0.6355    14.6538	H	1	noname	0.0279
664	H227     3.0919     0.4315    13.8401	H	1	noname	0.0425
665	H228     2.1013     2.0186    13.5870	H	1	noname	0.0425
666	H229     3.5207     1.6299    15.8049	H	1	noname	0.1184
667	H230     1.8091     1.6299    16.1664	H	1	noname	0.1184
668	H231    -8.9049    -3.5180     8.3426	H	1	noname	0.0287
669	H232    -8.4153    -2.4811     9.8423	H	1	noname	0.0287
670	H233    -6.5818    -1.6640     8.7251	H	1	noname	0.0268
671	H234    -6.9346    -2.7951     7.2553	H	1	noname	0.0268
672	H235    -8.8369    -1.5488     6.7374	H	1	noname	0.0279
673	H236    -8.5262    -0.4359     8.2305	H	1	noname	0.0279
674	H237    -6.5786     0.3980     7.1794	H	1	noname	0.0425
675	H238    -6.9542    -0.6722     5.6701	H	1	noname	0.0425
676	H239    -7.7190     1.8831     5.7800	H	1	noname	0.1184
677	H240    -9.1058     0.8167     5.7800	H	1	noname	0.1184
678	H241   -10.8072    -9.2159     4.4146	H	1	noname	0.1318
679	H242   -13.3779    -8.8971     3.7191	H	1	noname	0.0566
680	H243   -11.1887   -11.2242     2.0354	H	1	noname	0.1318
681	H244   -11.3323   -13.0524     4.1774	H	1	noname	0.0566
682	H245   -12.9249   -13.4089     0.9560	H	1	noname	0.1319
683	H246   -13.7308   -16.0426     1.8446	H	1	noname	0.0569
684	H247   -15.7938   -15.0265    -0.6631	H	1	noname	0.1319
685	H248   -14.0463   -15.4163    -2.8447	H	1	noname	0.0575
686	H249   -16.0829   -16.0435    -4.0869	H	1	noname	0.0410
687	H250   -16.9839   -15.9165    -2.4327	H	1	noname	0.0410
688	H251   -19.3257   -14.6783    -2.6185	H	1	noname	0.0410
689	H252   -20.0589   -13.3129    -1.5405	H	1	noname	0.0410
690	H253   -19.1298   -13.0004    -4.3648	H	1	noname	0.0575
691	H254   -21.4892   -14.6715    -2.5991	H	1	noname	0.1319
692	H255   -23.7047   -14.1646    -4.2060	H	1	noname	0.0571
693	H256   -22.1308   -17.1457    -6.4453	H	1	noname	0.1318
694	H257   -20.8086   -16.5213    -3.8985	H	1	noname	0.0566
695	H258   -20.4718   -18.0930    -7.4582	H	1	noname	0.0436
696	H259   -20.7406   -16.4381    -8.3260	H	1	noname	0.0436
697	H260   -18.6064   -18.5459    -8.7216	H	1	noname	0.0280
698	H261   -19.5950   -17.5505    -9.9850	H	1	noname	0.0280
699	H262   -17.0527   -16.9626    -9.2016	H	1	noname	0.0288
700	H263   -18.3781   -15.6766    -9.5933	H	1	noname	0.0288
701	H264   -17.2203   -16.4816    -6.8961	H	1	noname	0.0568
702	H265   -19.1600   -14.0501    -8.6702	H	1	noname	0.1319
703	H266   -21.5380   -18.8324    -4.0746	H	1	noname	0.0290
704	H267   -20.4057   -19.0002    -5.5760	H	1	noname	0.0290
705	H268   -19.2721   -18.1597    -2.9841	H	1	noname	0.0298
706	H269   -19.7406   -20.0211    -1.7658	H	1	noname	0.0233
707	H270   -20.8262   -20.5666    -3.0666	H	1	noname	0.0233
708	H271   -19.1172   -21.0640    -3.0666	H	1	noname	0.0233
709	H272   -17.3027   -19.4007    -3.7149	H	1	noname	0.0233
710	H273   -18.2147   -20.1338    -5.0562	H	1	noname	0.0233
711	H274   -17.8835   -18.3849    -5.0562	H	1	noname	0.0233
712	H275   -24.6385   -16.3038    -3.2081	H	1	noname	0.0382
713	H276   -22.9007   -16.6361    -2.5494	H	1	noname	0.0382
714	H277   -24.6796   -13.2601    -1.5904	H	1	noname	0.1271
715	H278   -25.9304   -14.4831    -1.5904	H	1	noname	0.1271
716	H279   -20.8141   -11.2806    -2.5939	H	1	noname	0.1319
717	H280   -19.2222    -8.4131    -3.9814	H	1	noname	0.0563
718	H281   -22.0323    -8.7173    -3.0711	H	1	noname	0.0251
719	H282   -21.4420    -7.9172    -4.5474	H	1	noname	0.0251
720	H283   -21.7493    -9.6705    -4.5474	H	1	noname	0.0251
721	H284   -20.6241    -8.5613    -1.5652	H	1	noname	0.1318
722	H285   -17.6452    -8.5510     0.4298	H	1	noname	0.0559
723	H286   -20.6238    -9.0687     0.6007	H	1	noname	0.0293
724	H287   -19.2531   -10.3505     0.8065	H	1	noname	0.0293
725	H288   -18.5397    -9.2766     2.7690	H	1	noname	0.0373
726	H289   -19.9025    -7.9867     2.5612	H	1	noname	0.0373
727	H290   -21.3023    -9.3761     4.8701	H	1	noname	0.2213
728	H291   -18.3235    -6.3153     0.1299	H	1	noname	0.1191
729	H292   -20.0140    -6.7655     0.1299	H	1	noname	0.1191
730	H293   -12.9407   -17.2215    -3.3624	H	1	noname	0.1316
731	H294   -13.0479   -19.5174    -1.8029	H	1	noname	0.0529
732	H295   -13.9023   -19.8020    -3.4622	H	1	noname	0.0529
733	H296   -12.5834   -20.8384    -4.7668	H	1	noname	0.1318
734	H297   -10.1205   -19.6683    -5.5272	H	1	noname	0.0569
735	H298   -11.3178   -22.3890    -6.2249	H	1	noname	0.0318
736	H299   -12.5385   -20.1518    -6.9100	H	1	noname	0.0234
737	H300   -11.2543   -20.0213    -8.1356	H	1	noname	0.0234
738	H301   -12.3449   -21.4280    -8.1356	H	1	noname	0.0234
739	H302    -8.7588   -22.1126    -6.6499	H	1	noname	0.0234
740	H303    -9.7683   -22.7321    -7.9785	H	1	noname	0.0234
741	H304    -9.2427   -21.0315    -7.9785	H	1	noname	0.0234
742	H305   -11.6138   -22.6528    -3.5516	H	1	noname	0.0436
743	H306   -10.6942   -23.9673    -4.5469	H	1	noname	0.0436
744	H307   -10.9388   -23.5750    -1.5562	H	1	noname	0.0280
745	H308   -11.0453   -25.1455    -2.5986	H	1	noname	0.0280
746	H309    -8.8288   -24.3616    -1.2342	H	1	noname	0.0288
747	H310    -8.7973   -25.1780    -2.9362	H	1	noname	0.0288
748	H311    -8.2226   -22.2826    -2.1852	H	1	noname	0.0580
749	H312    -6.0675   -22.7083    -2.3266	H	1	noname	0.2213
750	H313   -15.5262   -14.7334     2.8419	H	1	noname	0.0337
751	H314   -16.0063   -14.2170     1.0906	H	1	noname	0.0337
752	H315   -15.3168   -17.3045     3.1394	H	1	noname	0.0626
753	H316   -16.6486   -19.3799     2.8597	H	1	noname	0.0650
754	H317   -19.0951   -17.4177    -0.1142	H	1	noname	0.0650
755	H318   -17.7789   -15.3323     0.1728	H	1	noname	0.0626
756	H319   -18.9192   -20.0324     2.0335	H	1	noname	0.2181
757	H320   -10.5827   -13.6436     1.2596	H	1	noname	0.0293
758	H321    -9.4170   -12.9517     2.5737	H	1	noname	0.0293
759	H322    -9.4684   -14.9964     3.7133	H	1	noname	0.0373
760	H323   -10.6729   -15.6898     2.4355	H	1	noname	0.0373
761	H324    -8.8289   -16.5945     0.3134	H	1	noname	0.2213
762	H325   -13.4745    -8.1177     1.7013	H	1	noname	0.0288
763	H326   -11.9029    -9.0188     1.1698	H	1	noname	0.0288
764	H327   -13.0903   -10.9226     0.7297	H	1	noname	0.0280
765	H328   -14.6645   -10.1469     1.4258	H	1	noname	0.0280
766	H329   -15.0920    -9.0819    -0.4835	H	1	noname	0.0432
767	H330   -13.2639    -8.9978    -0.9475	H	1	noname	0.0432
768	H331   -14.8341   -11.4688    -1.1555	H	1	noname	0.1306
769	H332   -13.0468    -9.0558    -2.7139	H	1	noname	0.1898
770	H333   -14.5375   -12.4964    -3.3960	H	1	noname	0.1267
771	H334   -12.7919   -12.3819    -3.3960	H	1	noname	0.1267
772	H335    -4.6813    -6.8791     5.1609	H	1	noname	0.0293
773	H336    -6.0847    -7.3903     4.0061	H	1	noname	0.0293
774	H337    -6.9269    -5.2981     3.9526	H	1	noname	0.0373
775	H338    -5.9856    -4.7931     5.5092	H	1	noname	0.0373
776	H339    -5.4424    -4.9261     1.8939	H	1	noname	0.2213
777	H340    -2.2287    -7.3715     7.1908	H	1	noname	0.0287
778	H341    -4.0648    -7.0681     7.5086	H	1	noname	0.0287
779	H342    -3.7153    -8.7678     9.3433	H	1	noname	0.0268
780	H343    -1.9140    -8.2227     9.1928	H	1	noname	0.0268
781	H344    -2.5187    -6.0567     9.7964	H	1	noname	0.0279
782	H345    -4.3204    -6.6009     9.9455	H	1	noname	0.0279
783	H346    -3.7114    -8.0161    11.7583	H	1	noname	0.0425
784	H347    -1.9444    -7.3612    11.6438	H	1	noname	0.0425
785	H348    -2.6468    -5.4806    12.7466	H	1	noname	0.1184
786	H349    -4.3147    -6.0083    12.7466	H	1	noname	0.1184
787	H350     0.0982   -12.6096     8.6149	H	1	noname	0.0293
788	H351    -0.2959   -10.8589     8.0283	H	1	noname	0.0293
789	H352    -1.8983   -10.6553     9.7453	H	1	noname	0.0373
790	H353    -1.4657   -12.3929    10.3436	H	1	noname	0.0373
791	H354    -0.2403    -9.6425    12.1938	H	1	noname	0.2213
792	H355    -1.7058   -15.2455     4.7605	H	1	noname	0.0585
793	H356    -1.2222   -14.2533     3.2288	H	1	noname	0.0585
794	H357    -0.3781   -16.8231     4.0172	H	1	noname	0.2101
795	H358     5.0277   -13.0729     2.4878	H	1	noname	0.0337
796	H359     3.6786   -12.4869     3.6714	H	1	noname	0.0337
797	H360     5.4054   -15.6695     2.6357	H	1	noname	0.0626
798	H361     6.1354   -17.3530     4.3056	H	1	noname	0.0650
799	H362     4.6929   -14.8225     7.4973	H	1	noname	0.0650
800	H363     3.9577   -13.1318     5.8338	H	1	noname	0.0626
801	H364     5.7100   -16.7581     7.8195	H	1	noname	0.2181
802	H365     2.7337   -13.9795    -2.2194	H	1	noname	0.0337
803	H366     1.4967   -12.7376    -1.5183	H	1	noname	0.0337
804	H367     4.1009   -12.5217    -4.2186	H	1	noname	0.0625
805	H368     3.4930   -11.8842    -6.5415	H	1	noname	0.0622
806	H369     1.0992   -11.5756    -7.1725	H	1	noname	0.0622
807	H370    -0.6882   -11.8719    -5.4575	H	1	noname	0.0622
808	H371    -0.0876   -12.4198    -3.1093	H	1	noname	0.0625
809	H372     3.6191    -7.7470     1.1330	H	1	noname	0.0287
810	H373     1.9344    -7.8735     0.2904	H	1	noname	0.0287
811	H374     2.7519   -10.2796     1.4790	H	1	noname	0.0268
812	H375     2.6930    -8.8132     2.6666	H	1	noname	0.0268
813	H376     0.4051    -8.5163     2.1122	H	1	noname	0.0279
814	H377     0.4951   -10.0862     1.0673	H	1	noname	0.0279
815	H378     1.0653   -11.2722     3.1030	H	1	noname	0.0425
816	H379     0.5907    -9.7039     4.0409	H	1	noname	0.0425
817	H380    -1.6538   -10.0799     3.1617	H	1	noname	0.1184
818	H381    -1.1510   -11.7555     3.1617	H	1	noname	0.1184
819	H382     1.1861    -4.6583    -1.4241	H	1	noname	0.0382
820	H383     2.4453    -3.5797    -2.3271	H	1	noname	0.0382
821	H384    -1.1295    -4.2271    -4.0599	H	1	noname	0.1271
822	H385     0.3618    -4.2271    -4.9746	H	1	noname	0.1271
823	H386     2.3963    -0.6108    -6.9932	H	1	noname	0.0382
824	H387     1.4207    -0.5956    -8.6094	H	1	noname	0.0382
825	H388     1.7957     1.4963    -5.4618	H	1	noname	0.1271
826	H389     0.0476     1.4963    -5.5294	H	1	noname	0.1271
827	H390    -6.4944     1.4776    -6.2753	H	1	noname	0.0292
828	H391    -7.7788     1.1906    -7.6289	H	1	noname	0.0292
829	H392    -9.3484     0.5449    -6.0232	H	1	noname	0.0361
830	H393    -8.0626     0.7682    -4.6589	H	1	noname	0.0361
831	H394   -10.0832     3.6336    -4.1643	H	1	noname	0.1271
832	H395   -10.5034     1.9354    -4.1643	H	1	noname	0.1271
833	H396   -22.8263    -7.8399    -7.7058	H	1	noname	0.0288
834	H397   -21.1286    -7.2277    -7.1514	H	1	noname	0.0288
835	H398   -21.6769    -5.0667    -7.6585	H	1	noname	0.0280
836	H399   -23.2840    -5.6163    -8.4828	H	1	noname	0.0280
837	H400   -24.1633    -6.1615    -6.3439	H	1	noname	0.0432
838	H401   -22.5791    -5.5086    -5.5512	H	1	noname	0.0432
839	H402   -23.6593    -3.5090    -7.0813	H	1	noname	0.1306
840	H403   -24.9595    -5.3291    -4.5695	H	1	noname	0.1898
841	H404   -24.4457    -1.6802    -5.6028	H	1	noname	0.1267
842	H405   -26.0929    -2.2693    -5.6028	H	1	noname	0.1267
843	H406   -20.7589   -10.7148   -11.8779	H	1	noname	0.0318
844	H407   -21.0364   -13.4929   -11.1140	H	1	noname	0.0234
845	H408   -22.0096   -13.2321   -12.5814	H	1	noname	0.0234
846	H409   -20.2750   -12.8330   -12.5814	H	1	noname	0.0234
847	H410   -23.5901   -10.7544   -11.3060	H	1	noname	0.0234
848	H411   -22.7512   -10.0840   -12.7256	H	1	noname	0.0234
849	H412   -23.2819   -11.7830   -12.7256	H	1	noname	0.0234
@<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	2
11	10	12	1
12	12	13	1
13	13	14	1
14	14	15	2
15	14	16	1
16	16	17	1
17	17	18	1
18	18	19	2
19	18	20	1
20	20	21	1
21	21	22	1
22	22	23	1
23	23	24	1
24	20	24	1
25	24	25	1
26	25	26	2
27	25	27	1
28	27	28	1
29	28	29	1
30	29	30	1
31	30	31	1
32	31	32	1
33	32	33	1
34	33	34	1
35	34	35	2
36	34	36	1
37	36	37	1
38	37	38	1
39	38	39	2
40	38	40	1
41	40	41	1
42	41	42	1
43	42	43	2
44	42	44	1
45	44	45	1
46	45	46	1
47	46	47	2
48	46	48	1
49	48	49	1
50	49	50	1
51	50	51	2
52	50	52	1
53	52	53	1
54	53	54	1
55	54	55	2
56	54	56	1
57	56	57	1
58	57	58	1
59	58	59	2
60	58	60	1
61	60	61	1
62	61	62	1
63	62	63	2
64	62	64	1
65	64	65	1
66	65	66	1
67	66	67	2
68	66	68	1
69	68	69	1
70	69	70	1
71	70	71	2
72	70	72	1
73	72	73	1
74	73	74	1
75	74	75	2
76	74	76	1
77	76	77	1
78	77	78	1
79	78	79	2
80	78	80	1
81	80	81	1
82	81	82	1
83	82	83	2
84	82	84	1
85	84	85	1
86	85	86	1
87	86	87	1
88	87	88	1
89	88	89	1
90	89	90	1
91	90	91	1
92	91	92	2
93	91	93	1
94	93	94	1
95	94	95	1
96	95	96	2
97	95	97	1
98	97	98	1
99	98	99	1
100	99	100	2
101	99	101	1
102	101	102	1
103	102	103	1
104	103	104	2
105	103	105	1
106	105	106	1
107	106	107	1
108	107	108	1
109	108	109	1
110	105	109	1
111	109	110	1
112	110	111	2
113	110	112	1
114	112	113	1
115	113	114	1
116	114	115	2
117	114	116	1
118	116	117	1
119	117	118	1
120	118	119	2
121	118	120	1
122	120	121	1
123	121	122	1
124	122	123	2
125	122	124	1
126	33	124	1
127	113	125	1
128	125	126	1
129	126	127	2
130	127	128	1
131	128	129	2
132	129	130	1
133	130	131	2
134	126	131	1
135	129	132	1
136	102	133	1
137	133	134	1
138	134	135	2
139	135	136	1
140	136	137	2
141	137	138	1
142	138	139	2
143	134	139	1
144	98	140	1
145	140	141	1
146	141	142	1
147	141	143	1
148	94	144	1
149	144	145	1
150	144	146	1
151	90	147	1
152	147	148	1
153	148	149	2
154	148	150	1
155	150	151	1
156	151	152	1
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846	424	829	1
847	424	830	1
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863	436	846	1
864	437	847	1
865	437	848	1
866	437	849	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
