@<TRIPOS>MOLECULE
118984376
785 796 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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220	C72   -48.0586     9.9015    16.7444	C.3	1	noname	-0.0608
221	C73   -54.8660     9.0435    13.0512	C.3	1	noname	0.0918
222	C74   -31.2607    16.8501    24.0267	C.3	1	noname	-0.0201
223	C75   -31.9332    15.7221    23.1540	C.3	1	noname	0.0903
224	C76   -52.2733     9.2217    10.3528	C.3	1	noname	0.0880
225	C77   -54.2078     9.6528    14.2613	C.2	1	noname	0.0495
226	C78   -29.2808    13.9707    24.6699	C.3	1	noname	0.0901
227	C79   -52.0257     8.3721     9.0664	C.3	1	noname	-0.0265
228	C80   -54.5896    14.5002    13.9962	C.3	1	noname	-0.0627
229	C81   -55.1539    13.0600    16.1140	C.3	1	noname	-0.0627
230	C82   -45.1519    13.3802    10.9235	C.3	1	noname	0.0901
231	C83   -27.9237    14.7362    24.3869	C.3	1	noname	-0.0227
232	C84   -43.3631    11.7971    13.9218	C.3	1	noname	0.0880
233	C85   -51.9405     6.8192     9.2575	C.3	1	noname	-0.0451
234	C86   -55.7686     7.8091    13.3817	C.3	1	noname	-0.0035
235	C87   -43.6182    10.3492    14.4549	C.3	1	noname	-0.0265
236	C88   -44.8729    14.8461    10.4658	C.3	1	noname	-0.0227
237	C89   -31.5292    18.3220    23.5436	C.3	1	noname	-0.0516
238	C90   -53.6584     9.1841    10.8782	C.2	1	noname	0.0494
239	C91   -43.1716    10.0679    15.9257	C.3	1	noname	-0.0451
240	C92   -31.2306    14.3969    22.9819	C.2	1	noname	0.0495
241	C93   -31.6245    16.7683    25.5475	C.3	1	noname	-0.0605
242	C94   -43.8920    11.9818    12.5538	C.2	1	noname	0.0494
243	C95   -29.1520    12.6908    25.4602	C.2	1	noname	0.0494
244	C96   -47.4960    10.7726    11.8694	C.3	1	noname	0.0883
245	C97   -46.5251    12.8889    11.0451	C.2	1	noname	0.0494
246	C98   -31.4744    12.3654    26.4864	C.3	1	noname	0.0883
247	C99   -56.4686     7.1325    12.2464	C.2	1	noname	-0.0660
248	C100   -27.3811    15.4639    25.6517	C.3	1	noname	-0.0608
249	C101   -26.7908    13.9532    23.6605	C.3	1	noname	-0.0608
250	C102   -50.7032    12.5352    10.9844	C.3	1	noname	0.0850
251	C103   -51.8347     6.1348     7.8609	C.3	1	noname	-0.0627
252	C104   -50.6876     6.3751    10.1344	C.3	1	noname	-0.0627
253	C105   -43.3630    15.1076    10.7183	C.3	1	noname	-0.0608
254	C106   -45.6971    16.0089    11.0759	C.3	1	noname	-0.0608
255	C107   -51.8862    11.6444    10.9382	C.2	1	noname	0.0492
256	C108   -32.9727    18.8608    23.7478	C.3	1	noname	-0.0650
257	C109   -46.8384     9.3638    11.9980	C.3	1	noname	-0.0195
258	C110   -43.7964     8.7546    16.4939	C.3	1	noname	-0.0627
259	C111   -41.6403    10.0118    16.0978	C.3	1	noname	-0.0627
260	C112   -41.0736    17.2336    12.4048	C.3	1	noname	0.0280
261	C113   -48.8261    10.8830    11.2483	C.2	1	noname	0.0492
262	C114   -32.3895    12.1082    25.2621	C.3	1	noname	-0.0195
263	C115   -32.2673     6.1924    16.4645	C.3	1	noname	-0.0201
264	C116   -39.9852    13.4281    13.6053	C.3	1	noname	0.0933
265	C117   -41.4190    13.3203    13.8475	C.2	1	noname	0.0495
266	C118   -31.1584     7.3207    16.5206	C.3	1	noname	0.0903
267	C119   -39.6954    17.7923    11.8270	C.3	1	noname	0.0976
268	C120   -31.8233    15.9511    13.1524	C.3	1	noname	0.0880
269	C121   -31.9498    11.6717    27.7159	C.2	1	noname	0.0493
270	C122   -33.2194    16.6625    13.1517	C.3	1	noname	-0.0265
271	C123   -33.1978    16.4023    21.0042	C.2	1	noname	0.0475
272	C124   -29.0688    16.1625    18.3190	C.3	1	noname	0.0880
273	C125   -28.4919    16.0638    19.7634	C.3	1	noname	-0.0265
274	C126   -33.5184    17.7900    12.1000	C.3	1	noname	-0.0451
275	C127   -32.2567     9.2185    27.0282	C.3	1	noname	0.0882
276	C128   -47.3805     8.4014    13.0862	C.3	1	noname	0.0354
277	C129   -50.8957    13.9383    11.6274	C.3	1	noname	-0.0408
278	C130   -56.2125     5.7711    11.9450	C.2	1	noname	-0.0475
279	C131   -57.4717     7.8020    11.5029	C.2	1	noname	-0.0475
280	C132   -39.7955    13.5647    12.0806	C.3	1	noname	0.0153
281	C133   -33.7339     6.5816    16.0275	C.3	1	noname	-0.0516
282	C134   -28.5885    14.6606    20.4572	C.3	1	noname	-0.0451
283	C135   -28.5628    17.9227    13.4655	C.3	1	noname	0.0882
284	C136   -33.9032    12.4257    25.3119	C.3	1	noname	0.0354
285	C137   -29.3798    19.6029    16.7929	C.3	1	noname	0.0918
286	C138   -31.4599     8.4585    17.4373	C.2	1	noname	0.0497
287	C139   -31.7554     4.9419    15.6698	C.3	1	noname	-0.0605
288	C140   -33.3570     8.2399    27.5410	C.3	1	noname	-0.0206
289	C141   -31.5801    15.0403    11.9898	C.2	1	noname	0.0493
290	C142   -28.6460    17.4231    17.6966	C.2	1	noname	0.0494
291	C143   -29.4697    16.7455    13.4350	C.2	1	noname	0.0493
292	C144   -27.1296    17.5163    13.0122	C.3	1	noname	-0.0206
293	C145   -34.6512    16.4693    21.3153	C.3	1	noname	0.0674
294	C146   -30.5968    10.5211    18.5293	C.3	1	noname	0.0976
295	C147   -32.0599    12.9150    10.7767	C.3	1	noname	0.0883
296	C148   -30.4051    20.6417    17.3428	C.3	1	noname	-0.0035
297	C149   -38.9415    18.5417    12.8508	C.2	1	noname	0.0501
298	C150   -29.4805    19.3000    15.3411	C.2	1	noname	0.0495
299	C151   -56.9639     5.0891    10.9696	C.2	1	noname	-0.0312
300	C152   -58.2218     7.1221    10.5229	C.2	1	noname	-0.0312
301	C153   -30.8893     8.6212    26.9803	C.2	1	noname	0.0495
302	C154   -32.8210    19.1491    12.3762	C.3	1	noname	-0.0627
303	C155   -33.2142    17.3261    10.6669	C.3	1	noname	-0.0627
304	C156   -29.0476    13.0538    16.1514	C.3	1	noname	0.1109
305	C157   -40.2407    12.4770    11.1875	C.2	1	noname	0.0142
306	C158   -34.0287     6.5507    14.5158	C.3	1	noname	-0.0650
307	C159   -27.3406    13.7886    20.2150	C.3	1	noname	-0.0627
308	C160   -29.8054    13.7937    20.1010	C.3	1	noname	-0.0627
309	C161   -27.6168     6.0963    17.3445	C.3	1	noname	0.1109
310	C162   -28.6446     6.9554    16.6861	C.2	1	noname	0.0505
311	C163   -57.9765     5.7616    10.2632	C.2	1	noname	-0.0019
312	C164   -37.1648    15.8867     9.3498	C.3	1	noname	0.0918
313	C165   -29.4538    14.4075    16.5947	C.2	1	noname	0.0504
314	C166   -30.3593     8.6383    24.4956	C.3	1	noname	0.0976
315	C167   -33.5973     7.0336    26.5982	C.3	1	noname	0.0229
316	C168   -32.1974    11.4769    11.3068	C.3	1	noname	-0.0195
317	C169   -38.6444    14.4762    15.4399	C.2	1	noname	0.0505
318	C170   -37.7074    16.9102    10.3381	C.2	1	noname	0.0497
319	C171   -29.5731    11.3986    17.9218	C.2	1	noname	0.0503
320	C172   -46.7793     7.0624    12.9284	C.2	1	noname	0.1348
321	C173   -26.0949    18.6629    12.9707	C.3	1	noname	0.0229
322	C174   -30.5334    10.3442    20.0741	C.3	1	noname	0.0280
323	C175   -38.2010    15.6853    16.1862	C.3	1	noname	0.1109
324	C176   -34.4751    12.2957    23.9487	C.2	1	noname	0.1348
325	C177   -32.9681    13.1544     9.6142	C.2	1	noname	0.0494
326	C178   -33.6634    14.8755     7.9165	C.3	1	noname	0.0960
327	C179   -30.3531    20.8579    18.8214	C.2	1	noname	-0.0660
328	C180   -28.4712     5.7579    21.0696	C.3	1	noname	0.1135
329	C181   -37.5597    14.4304     9.6786	C.3	1	noname	-0.0035
330	C182   -28.9829     8.8425    23.8157	C.3	1	noname	0.0280
331	C183   -29.1242    12.8283    14.6319	C.3	1	noname	0.0675
332	C184   -31.2503    11.0504    12.4357	C.3	1	noname	0.0354
333	C185   -31.0904     7.5525    23.8043	C.2	1	noname	0.0499
334	C186   -26.1444     6.3987    16.9855	C.3	1	noname	0.0675
335	C187   -32.1020     6.8163    21.6538	C.3	1	noname	0.0976
336	C188   -39.7471    11.1837    11.0681	C.2	1	noname	-0.0702
337	C189   -35.1025    15.2898     8.0028	C.2	1	noname	0.0496
338	C190   -36.8001    18.9313    14.0667	C.3	1	noname	0.1082
339	C191   -28.3197     5.3719    19.6383	C.2	1	noname	0.0511
340	C192   -27.6232     4.8320    21.9973	C.3	1	noname	0.0755
341	C193   -39.2226    16.0499    17.2742	C.3	1	noname	0.0675
342	C194   -32.7923    16.0274     7.3585	C.3	1	noname	0.0452
343	C195   -34.6986     6.1177    26.9369	C.2	1	noname	0.0325
344	C196   -39.3208    11.9263    18.7931	C.3	1	noname	0.0880
345	C197   -30.8569     6.5043    20.8960	C.2	1	noname	0.0504
346	C198   -39.8469    10.9056    19.8495	C.3	1	noname	-0.0265
347	C199   -24.7359    18.2661    12.5528	C.2	1	noname	0.0325
348	C200   -31.4782    20.5678    19.6304	C.2	1	noname	-0.0475
349	C201   -29.2012    21.3972    19.4468	C.2	1	noname	-0.0475
350	C202   -36.6974    13.6149    10.5825	C.2	1	noname	-0.0660
351	C203   -40.3985     9.5134    19.4647	C.3	1	noname	-0.0451
352	C204   -33.2315     7.3497    20.7369	C.3	1	noname	0.0280
353	C205   -41.3362    11.4655     9.6148	C.2	1	noname	-0.0514
354	C206   -37.3918    19.3471    15.4405	C.3	1	noname	0.0463
355	C207   -35.5750    11.2285    18.3951	C.3	1	noname	0.0976
356	C208   -27.6107     5.2426    23.4840	C.3	1	noname	-0.0369
357	C209   -38.0592    11.4376    18.1757	C.2	1	noname	0.0495
358	C210   -35.7729    15.3008    16.1521	C.2	1	noname	0.0483
359	C211   -31.6128     9.6309    12.7226	C.2	1	noname	0.1348
360	C212   -42.0416    13.6469    18.9718	C.3	1	noname	0.0933
361	C213   -31.4769    20.8757    21.0008	C.2	1	noname	-0.0312
362	C214   -29.1854    21.6640    20.8303	C.2	1	noname	-0.0312
363	C215   -36.2752    20.0696    13.2658	C.2	1	noname	0.1442
364	C216   -31.3752    15.6717     7.1412	C.2	1	noname	0.0335
365	C217   -34.6786    14.5342    16.7493	C.3	1	noname	0.0766
366	C218   -41.1320     8.9233    20.6686	C.3	1	noname	-0.0627
367	C219   -39.3505     8.4876    19.0120	C.3	1	noname	-0.0627
368	C220   -41.3268    13.1446    17.7842	C.2	1	noname	0.0495
369	C221   -30.3284    21.4112    21.6094	C.2	1	noname	-0.0019
370	C222   -34.9785    10.3632    19.5339	C.3	1	noname	0.0280
371	C223   -36.4042    12.2807    10.2189	C.2	1	noname	-0.0475
372	C224   -36.3070    14.0780    11.8657	C.2	1	noname	-0.0475
373	C225   -34.7712    12.4486    18.0922	C.2	1	noname	0.0489
374	C226   -43.0242    12.5343    19.3878	C.3	1	noname	0.0153
375	C227   -43.4482    17.1758    18.5027	C.3	1	noname	0.0882
376	C228   -36.4731    19.9818    16.3915	C.2	1	noname	0.0335
377	C229   -42.5194    16.1054    18.9503	C.2	1	noname	0.0494
378	C230   -44.8054    17.0765    19.2339	C.3	1	noname	-0.0206
379	C231   -35.8555    11.3919    11.1626	C.2	1	noname	-0.0312
380	C232   -35.8141    13.1707    12.8198	C.2	1	noname	-0.0312
381	C233   -43.5193    12.6633    20.7583	C.2	1	noname	0.0142
382	C234   -35.6058    11.8255    12.4769	C.2	1	noname	-0.0019
383	C235   -39.2766    21.0287    20.9225	C.3	1	noname	0.0901
384	C236   -41.2671    20.2376    17.7680	C.3	1	noname	0.0960
385	C237   -37.8217    20.7129    20.4211	C.3	1	noname	-0.0227
386	C238   -41.8873    18.8995    17.6508	C.2	1	noname	0.0495
387	C239   -44.7802    17.2787    20.7624	C.3	1	noname	0.0229
388	C240   -40.2187    21.2062    19.7851	C.2	1	noname	0.0496
389	C241   -40.5114    20.7430    16.5046	C.3	1	noname	0.0452
390	C242   -44.8178    12.9753    21.1371	C.2	1	noname	-0.0702
391	C243   -36.8492    20.2847    21.5359	C.3	1	noname	-0.0608
392	C244   -37.1202    21.8371    19.6317	C.3	1	noname	-0.0608
393	C245   -40.3283    22.5201    22.6342	C.2	1	noname	0.0492
394	C246   -46.1181    17.2027    21.3590	C.2	1	noname	0.0325
395	C247   -40.2246    23.8605    23.2531	C.3	1	noname	0.0829
396	C248   -43.6024    12.6663    22.9052	C.2	1	noname	-0.0514
397	C249   -40.0036    22.1252    16.5697	C.2	1	noname	0.0335
398	C250   -41.2426    24.1478    24.3806	C.3	1	noname	-0.0041
399	C251   -41.1770    25.4228    25.1447	C.2	1	noname	-0.0541
400	C252   -40.2124    26.4424    24.9301	C.2	1	noname	-0.0567
401	C253   -42.1519    25.6192    26.1518	C.2	1	noname	-0.0567
402	C254   -40.2346    27.6248    25.6931	C.2	1	noname	-0.0604
403	C255   -42.1682    26.8000    26.9165	C.2	1	noname	-0.0604
404	C256   -41.2120    27.8037    26.6865	C.2	1	noname	-0.0616
405	H1   -48.0003    18.4639    17.9199	H	1	noname	0.0568
406	H2   -49.6610    20.6324    19.2248	H	1	noname	0.0288
407	H3   -49.0640    19.0956    19.8903	H	1	noname	0.0288
408	H4   -47.7787    21.7625    19.8470	H	1	noname	0.0280
409	H5   -47.3155    20.3518    20.8186	H	1	noname	0.0280
410	H6   -45.7688    21.2351    18.8482	H	1	noname	0.0436
411	H7   -45.9294    19.4935    19.0567	H	1	noname	0.0436
412	H8   -44.9033    19.8851    16.2834	H	1	noname	0.0594
413	H9   -51.0818    18.4229    16.1345	H	1	noname	0.1318
414	H10   -43.4044    21.6878    15.6027	H	1	noname	0.0619
415	H11   -49.7887    17.2650    18.5103	H	1	noname	0.0566
416	H12   -45.1502    19.4436    14.2082	H	1	noname	0.1319
417	H13   -50.9506    15.8422    16.0830	H	1	noname	0.0287
418	H14   -49.2658    15.8984    16.5554	H	1	noname	0.0287
419	H15   -44.6231    23.5858    14.6778	H	1	noname	0.0257
420	H16   -45.6900    23.6562    16.1094	H	1	noname	0.0257
421	H17   -43.9769    24.0767    16.2106	H	1	noname	0.0257
422	H18   -51.4228    14.7213    18.4078	H	1	noname	0.0268
423	H19   -50.6487    13.7904    17.1812	H	1	noname	0.0268
424	H20   -46.8512    19.6122    12.2384	H	1	noname	0.0569
425	H21   -43.4614    22.7226    17.6254	H	1	noname	0.2105
426	H22   -49.2699    15.1948    19.5408	H	1	noname	0.0279
427	H23   -48.3760    14.3382    18.2890	H	1	noname	0.0279
428	H24   -52.7609    16.2232    16.9771	H	1	noname	0.1320
429	H25   -48.0497    21.7349    11.8765	H	1	noname	0.0337
430	H26   -46.6990    22.3762    10.9804	H	1	noname	0.0337
431	H27   -45.2255    19.0132    11.0844	H	1	noname	0.1319
432	H28   -50.4420    13.0805    20.1820	H	1	noname	0.0425
433	H29   -49.5158    12.1933    18.9608	H	1	noname	0.0425
434	H30   -54.6018    15.9606    18.6128	H	1	noname	0.0602
435	H31   -56.2240    17.0773    16.9639	H	1	noname	0.0585
436	H32   -55.0860    15.9264    16.2883	H	1	noname	0.0585
437	H33   -42.8415    19.0706    10.3456	H	1	noname	0.0569
438	H34   -48.6256    12.0482    21.1349	H	1	noname	0.1184
439	H35   -48.4465    13.6764    21.2258	H	1	noname	0.1184
440	H36   -46.1522    21.2875     8.7204	H	1	noname	0.0626
441	H37   -49.7790    20.5671    10.7469	H	1	noname	0.0626
442	H38   -42.5019    21.6323     8.7490	H	1	noname	0.0337
443	H39   -41.5909    21.2185    10.2048	H	1	noname	0.0337
444	H40   -44.5952    20.1610     8.2209	H	1	noname	0.1319
445	H41   -47.1846    20.6283     6.6474	H	1	noname	0.0650
446	H42   -50.8175    19.9934     8.6519	H	1	noname	0.0650
447	H43   -55.1238    17.6704    15.0052	H	1	noname	0.2101
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455	H51   -49.0006    19.9775     5.6265	H	1	noname	0.2181
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490	H86   -48.8593    12.6679    16.7273	H	1	noname	0.0569
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495	H91   -53.0563    11.1266    16.1446	H	1	noname	0.0566
496	H92   -52.4601    13.4718    15.5138	H	1	noname	0.0290
497	H93   -52.4926    12.9555    13.8409	H	1	noname	0.0290
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499	H95   -54.9559    12.4014    14.0889	H	1	noname	0.0298
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501	H97   -46.4036    12.2409    17.2657	H	1	noname	0.0234
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511	H107   -29.8347    14.6137    25.3169	H	1	noname	0.0569
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514	H110   -55.5977    14.9057    14.0899	H	1	noname	0.0233
515	H111   -53.8775    15.2347    14.3835	H	1	noname	0.0233
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519	H115   -54.6534    13.6886    16.8511	H	1	noname	0.0233
520	H116   -44.6528    12.7649    10.1643	H	1	noname	0.0569
521	H117   -28.1727    15.5387    23.6966	H	1	noname	0.0318
522	H118   -43.8231    12.5089    14.6090	H	1	noname	0.0566
523	H119   -52.8698     6.4776     9.7288	H	1	noname	0.0298
524	H120   -56.5545     8.1323    14.0712	H	1	noname	0.0337
525	H121   -55.1565     7.0856    13.9273	H	1	noname	0.0337
526	H122   -44.6941    10.1731    14.3845	H	1	noname	0.0290
527	H123   -43.1341     9.6210    13.7990	H	1	noname	0.0290
528	H124   -45.0536    14.8920     9.3885	H	1	noname	0.0318
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530	H126   -30.8500    18.9898    24.0791	H	1	noname	0.0267
531	H127   -31.2607    18.4187    22.4890	H	1	noname	0.0267
532	H128   -43.5045    10.9001    16.5499	H	1	noname	0.0298
533	H129   -29.8682    12.9552    23.0083	H	1	noname	0.1319
534	H130   -31.1330    17.5739    26.0977	H	1	noname	0.0234
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536	H132   -31.3442    15.8406    26.0146	H	1	noname	0.0234
537	H133   -44.8410    13.7041    12.9451	H	1	noname	0.1319
538	H134   -51.0877    10.6161     9.4555	H	1	noname	0.1318
539	H135   -47.5039    11.2472    12.8437	H	1	noname	0.0566
540	H136   -31.2566    16.1916    21.2923	H	1	noname	0.1318
541	H137   -31.5036    13.4405    26.6852	H	1	noname	0.0566
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544	H140   -28.1700    16.0693    26.1044	H	1	noname	0.0234
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564	H160   -33.0114    19.9314    23.5653	H	1	noname	0.0230
565	H161   -33.3265    18.7168    24.7644	H	1	noname	0.0230
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641	H237   -33.2525     7.1196    14.0223	H	1	noname	0.0230
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659	H255   -30.6950    11.3078    20.5571	H	1	noname	0.0410
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663	H259   -33.5995    14.0632     7.1840	H	1	noname	0.0571
664	H260   -28.0822     6.7752    21.1863	H	1	noname	0.0593
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667	H263   -28.8092     7.9417    23.2270	H	1	noname	0.0410
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674	H270   -35.1727    16.0647     9.8673	H	1	noname	0.1319
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676	H272   -30.2082    11.1676    12.1386	H	1	noname	0.0373
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678	H274   -25.5032     5.7263    17.5555	H	1	noname	0.0585
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681	H277   -36.0924    16.1923    22.7361	H	1	noname	0.1188
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684	H280   -28.0000     3.8090    21.9399	H	1	noname	0.0619
685	H281   -40.2044    16.1844    16.8202	H	1	noname	0.0585
686	H282   -39.2927    15.2220    17.9797	H	1	noname	0.0585
687	H283   -31.7543     8.7386    22.3267	H	1	noname	0.1319
688	H284   -32.8530    16.8857     8.0275	H	1	noname	0.0382
689	H285   -33.2521    16.2750     6.4017	H	1	noname	0.0382
690	H286   -30.0666     5.3680    22.3332	H	1	noname	0.1319
691	H287   -36.9534    15.1912    17.7658	H	1	noname	0.1319
692	H288   -39.0730    12.8210    19.3676	H	1	noname	0.0566
693	H289   -40.5505    11.4034    20.5168	H	1	noname	0.0290
694	H290   -38.9853    10.7087    20.4874	H	1	noname	0.0290
695	H291   -32.3162    20.1412    19.2273	H	1	noname	0.0626
696	H292   -28.3654    21.6093    18.8979	H	1	noname	0.0626
697	H293   -41.1469     9.6462    18.6834	H	1	noname	0.0298
698	H294   -40.3289     9.6782     9.7804	H	1	noname	0.1531
699	H295   -32.8281     8.1102    20.0684	H	1	noname	0.0410
700	H296   -33.5212     6.5454    20.0606	H	1	noname	0.0410
701	H297   -42.0071    11.2902     8.8653	H	1	noname	0.1013
702	H298   -59.3710     5.7116     8.9474	H	1	noname	0.2181
703	H299   -38.2556    19.9931    15.2835	H	1	noname	0.0383
704	H300   -37.7056    18.4002    15.8798	H	1	noname	0.0383
705	H301   -46.6030     5.4649    11.6911	H	1	noname	0.2213
706	H302   -35.6144    10.6110    17.4917	H	1	noname	0.0575
707	H303   -28.6323     5.2639    23.8637	H	1	noname	0.0257
708	H304   -27.1654     6.2325    23.5838	H	1	noname	0.0257
709	H305   -27.0257     4.5218    24.0552	H	1	noname	0.0257
710	H306   -34.6505    11.0913    22.3147	H	1	noname	0.2213
711	H307   -39.9321    12.1257    16.8527	H	1	noname	0.1318
712	H308   -41.3213    13.8527    19.7666	H	1	noname	0.0570
713	H309   -32.3197    20.7110    21.5476	H	1	noname	0.0650
714	H310   -28.3456    22.0518    21.2674	H	1	noname	0.0650
715	H311   -36.9220    12.1659    19.6412	H	1	noname	0.1319
716	H312   -27.6852    11.4723    14.5430	H	1	noname	0.2101
717	H313   -34.3534    15.0210    17.6688	H	1	noname	0.0529
718	H314   -33.8408    14.4760    16.0545	H	1	noname	0.0529
719	H315   -39.8446     7.5476    18.7663	H	1	noname	0.0233
720	H316   -41.5255     7.9407    20.4085	H	1	noname	0.0233
721	H317   -38.8292     8.8649    18.1322	H	1	noname	0.0233
722	H318   -41.9541     9.5808    20.9513	H	1	noname	0.0233
723	H319   -40.4394     8.8276    21.5049	H	1	noname	0.0233
724	H320   -38.6334     8.3219    19.8160	H	1	noname	0.0233
725	H321   -34.9075    10.9591    20.4439	H	1	noname	0.0410
726	H322   -33.9639    10.0779    19.2558	H	1	noname	0.0410
727	H323   -24.9334     6.3818    15.4205	H	1	noname	0.2101
728	H324   -36.6154    11.9281     9.2797	H	1	noname	0.0626
729	H325   -36.4530    15.0519    12.1462	H	1	noname	0.0626
730	H326   -36.2194     5.6530    28.1744	H	1	noname	0.1271
731	H327   -35.4147     7.0725    28.5641	H	1	noname	0.1271
732	H328   -43.8671    12.5170    18.6970	H	1	noname	0.0354
733	H329   -42.4296    11.6211    19.3625	H	1	noname	0.0354
734	H330   -23.4938    16.7899    11.9540	H	1	noname	0.1271
735	H331   -25.0651    16.2940    12.2634	H	1	noname	0.1271
736	H332   -25.9036     5.7398    21.6258	H	1	noname	0.2105
737	H333   -37.9808    17.1097    18.3957	H	1	noname	0.2101
738	H334   -35.8993    12.8896    16.4982	H	1	noname	0.1316
739	H335   -43.6910    16.9828    17.4648	H	1	noname	0.0566
740	H336   -43.6235    14.6688    18.1199	H	1	noname	0.1319
741	H337   -45.5113    17.7763    18.7865	H	1	noname	0.0292
742	H338   -45.2062    16.0744    19.0817	H	1	noname	0.0292
743	H339   -35.6613    10.4237    10.8981	H	1	noname	0.0650
744	H340   -35.6314    13.4787    13.7740	H	1	noname	0.0650
745	H341   -43.1988    19.1348    19.1687	H	1	noname	0.1318
746	H342   -39.6363    20.1567    21.4807	H	1	noname	0.0569
747	H343   -42.0707    20.9326    17.9520	H	1	noname	0.0571
748	H344   -30.0914    14.4833     6.1387	H	1	noname	0.1271
749	H345   -31.7095    14.2329     5.7712	H	1	noname	0.1271
750	H346   -37.9066    19.8518    19.7581	H	1	noname	0.0318
751	H347   -33.2341     8.4370    12.9701	H	1	noname	0.2213
752	H348   -44.3337    18.2458    20.9937	H	1	noname	0.0361
753	H349   -44.1537    16.4721    21.1431	H	1	noname	0.0361
754	H350   -34.7809    21.4287    13.0924	H	1	noname	0.2213
755	H351   -29.4520    22.0485    23.1921	H	1	noname	0.2181
756	H352   -39.9132    19.3647    19.0530	H	1	noname	0.1319
757	H353   -41.1517    20.6320    15.6296	H	1	noname	0.0382
758	H354   -39.6637    20.0634    16.4172	H	1	noname	0.0382
759	H355   -35.5039    21.6766    16.8894	H	1	noname	0.1271
760	H356   -36.4455    21.7915    15.5055	H	1	noname	0.1271
761	H357   -38.5852    22.8077    21.7161	H	1	noname	0.1319
762	H358   -45.6083    13.1747    20.5212	H	1	noname	0.0808
763	H359   -35.8679    20.0855    21.1052	H	1	noname	0.0234
764	H360   -36.1240    21.5072    19.3371	H	1	noname	0.0234
765	H361   -37.7027    22.0738    18.7413	H	1	noname	0.0234
766	H362   -37.0383    22.7248    20.2588	H	1	noname	0.0234
767	H363   -37.2242    19.3822    22.0184	H	1	noname	0.0234
768	H364   -36.7671    21.0835    22.2730	H	1	noname	0.0234
769	H365   -39.2208    23.9585    23.6715	H	1	noname	0.0563
770	H366   -45.6076    13.1440    23.0331	H	1	noname	0.1531
771	H367   -43.3259    12.5874    23.8839	H	1	noname	0.1013
772	H368   -35.0593    11.4283    14.2692	H	1	noname	0.2181
773	H369   -42.2545    24.0027    24.0022	H	1	noname	0.0337
774	H370   -41.1339    23.3762    25.1428	H	1	noname	0.0337
775	H371   -47.7406    16.0650    21.7136	H	1	noname	0.1271
776	H372   -46.5366    15.3067    20.8223	H	1	noname	0.1271
777	H373   -41.3211    24.7203    21.7500	H	1	noname	0.1191
778	H374   -40.3377    25.7900    22.5710	H	1	noname	0.1191
779	H375   -40.4363    24.0858    16.6682	H	1	noname	0.1271
780	H376   -41.7788    23.0818    16.6031	H	1	noname	0.1271
781	H377   -39.4814    26.3493    24.2218	H	1	noname	0.0625
782	H378   -42.8667    24.9101    26.3477	H	1	noname	0.0625
783	H379   -39.5387    28.3555    25.5252	H	1	noname	0.0622
784	H380   -42.8784    26.9282    27.6406	H	1	noname	0.0622
785	H381   -41.2272    28.6620    27.2413	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	212	1
3	2	260	1
4	3	4	1
5	3	322	1
6	4	330	1
7	5	6	1
8	5	352	1
9	6	370	1
10	7	153	2
11	8	154	2
12	156	9	1
13	9	425	1
14	10	161	2
15	11	162	2
16	12	170	1
17	12	447	1
18	13	169	2
19	14	172	1
20	14	448	1
21	15	172	2
22	16	179	1
23	16	455	1
24	17	180	2
25	18	189	2
26	19	196	2
27	20	200	2
28	21	205	2
29	22	207	1
30	22	488	1
31	23	207	2
32	24	209	2
33	25	214	2
34	26	218	2
35	27	225	2
36	28	238	2
37	29	240	2
38	30	242	2
39	31	243	2
40	32	245	2
41	33	255	2
42	34	261	2
43	35	265	2
44	36	269	2
45	37	271	2
46	38	286	2
47	39	289	2
48	40	290	2
49	41	291	2
50	42	298	2
51	43	311	1
52	43	702	1
53	44	297	2
54	45	301	2
55	46	320	1
56	46	705	1
57	47	310	2
58	48	313	2
59	49	324	1
60	49	710	1
61	50	317	2
62	51	318	2
63	52	319	2
64	53	320	2
65	54	331	1
66	54	716	1
67	55	324	2
68	56	325	2
69	57	334	1
70	57	727	1
71	340	58	1
72	58	736	1
73	59	333	2
74	60	341	1
75	60	737	1
76	61	337	2
77	62	339	2
78	63	343	2
79	64	345	2
80	65	347	2
81	66	359	1
82	66	751	1
83	67	363	1
84	67	754	1
85	68	357	2
86	69	358	2
87	70	359	2
88	71	369	1
89	71	755	1
90	72	363	2
91	73	364	2
92	74	368	2
93	75	373	2
94	76	376	2
95	77	377	2
96	78	382	1
97	78	772	1
98	79	386	2
99	80	388	2
100	81	393	2
101	82	394	2
102	83	397	2
103	84	149	1
104	84	152	1
105	84	153	1
106	85	154	1
107	157	85	1
108	85	413	1
109	155	86	1
110	86	162	1
111	86	416	1
112	87	161	1
113	167	87	1
114	87	428	1
115	163	88	1
116	88	169	1
117	88	431	1
118	89	166	1
119	89	438	1
120	89	439	1
121	171	90	1
122	90	180	1
123	90	444	1
124	181	91	1
125	91	189	1
126	91	454	1
127	92	192	1
128	92	196	1
129	92	466	1
130	197	93	1
131	93	200	1
132	93	470	1
133	94	201	1
134	94	206	1
135	94	478	1
136	202	95	1
137	95	205	1
138	95	479	1
139	96	206	1
140	96	484	1
141	96	485	1
142	97	206	2
143	97	486	1
144	98	208	1
145	98	209	1
146	98	487	1
147	210	99	1
148	99	214	1
149	99	491	1
150	211	100	1
151	100	218	1
152	100	498	1
153	215	101	1
154	101	225	1
155	101	506	1
156	221	102	1
157	102	238	1
158	102	529	1
159	226	103	1
160	103	240	1
161	103	533	1
162	230	104	1
163	104	242	1
164	104	537	1
165	224	105	1
166	105	255	1
167	105	538	1
168	223	106	1
169	106	271	1
170	106	540	1
171	232	107	1
172	107	265	1
173	107	542	1
174	244	108	1
175	108	245	1
176	108	556	1
177	109	243	1
178	246	109	1
179	109	557	1
180	250	110	1
181	110	261	1
182	110	581	1
183	111	269	1
184	275	111	1
185	111	607	1
186	268	112	1
187	112	291	1
188	112	609	1
189	264	113	1
190	113	317	1
191	113	615	1
192	114	266	1
193	114	310	1
194	114	616	1
195	267	115	1
196	115	318	1
197	115	623	1
198	272	116	1
199	116	313	1
200	116	624	1
201	285	117	1
202	117	290	1
203	117	625	1
204	283	118	1
205	118	298	1
206	118	626	1
207	119	286	1
208	119	294	1
209	119	631	1
210	120	289	1
211	295	120	1
212	120	639	1
213	121	301	1
214	314	121	1
215	121	656	1
216	304	122	1
217	122	319	1
218	122	662	1
219	123	297	1
220	338	123	1
221	123	665	1
222	124	309	1
223	124	339	1
224	124	672	1
225	125	325	1
226	326	125	1
227	125	673	1
228	312	126	1
229	126	337	1
230	126	674	1
231	127	293	1
232	127	681	1
233	127	682	1
234	128	333	1
235	128	335	1
236	128	687	1
237	129	305	1
238	129	353	2
239	130	328	1
240	130	345	1
241	130	690	1
242	323	131	1
243	131	358	1
244	131	691	1
245	132	336	1
246	132	353	1
247	132	698	1
248	344	133	1
249	133	368	1
250	133	711	1
251	355	134	1
252	134	357	1
253	134	715	1
254	135	343	1
255	135	730	1
256	135	731	1
257	136	347	1
258	136	734	1
259	136	735	1
260	137	365	1
261	137	373	1
262	137	738	1
263	360	138	1
264	138	377	1
265	138	740	1
266	375	139	1
267	139	386	1
268	139	745	1
269	140	364	1
270	140	748	1
271	140	749	1
272	384	141	1
273	141	388	1
274	141	756	1
275	142	376	1
276	142	759	1
277	142	760	1
278	383	143	1
279	143	393	1
280	143	761	1
281	144	381	1
282	144	396	2
283	145	390	1
284	145	396	1
285	145	770	1
286	146	394	1
287	146	775	1
288	146	776	1
289	395	147	1
290	147	777	1
291	147	778	1
292	148	397	1
293	148	779	1
294	148	780	1
295	149	150	1
296	149	154	1
297	149	405	1
298	150	151	1
299	150	406	1
300	150	407	1
301	151	152	1
302	151	408	1
303	151	409	1
304	152	410	1
305	152	411	1
306	153	155	1
307	155	156	1
308	155	412	1
309	156	159	1
310	156	414	1
311	157	158	1
312	157	161	1
313	157	415	1
314	158	160	1
315	158	417	1
316	158	418	1
317	159	419	1
318	159	420	1
319	159	421	1
320	160	164	1
321	160	422	1
322	160	423	1
323	162	163	1
324	163	165	1
325	163	424	1
326	164	166	1
327	164	426	1
328	164	427	1
329	165	168	1
330	165	429	1
331	165	430	1
332	166	432	1
333	166	433	1
334	167	170	1
335	167	172	1
336	167	434	1
337	168	173	2
338	168	174	1
339	169	171	1
340	170	435	1
341	170	436	1
342	171	175	1
343	171	437	1
344	173	176	1
345	173	440	1
346	174	177	2
347	174	441	1
348	175	178	1
349	175	442	1
350	175	443	1
351	176	179	2
352	176	445	1
353	177	179	1
354	177	446	1
355	178	182	2
356	178	183	1
357	180	181	1
358	181	184	1
359	181	449	1
360	182	185	1
361	182	450	1
362	183	186	2
363	183	451	1
364	184	187	1
365	184	452	1
366	184	453	1
367	185	188	2
368	185	456	1
369	186	188	1
370	186	457	1
371	187	190	2
372	187	191	1
373	188	458	1
374	189	192	1
375	190	193	1
376	190	459	1
377	191	194	2
378	191	460	1
379	192	461	1
380	192	462	1
381	193	195	2
382	193	463	1
383	194	195	1
384	194	464	1
385	195	465	1
386	196	197	1
387	197	198	1
388	197	467	1
389	198	199	1
390	198	468	1
391	198	469	1
392	199	201	1
393	199	471	1
394	199	472	1
395	200	202	1
396	201	473	1
397	201	474	1
398	202	203	1
399	202	475	1
400	203	204	1
401	203	476	1
402	203	477	1
403	204	207	1
404	204	480	1
405	204	481	1
406	205	208	1
407	208	482	1
408	208	483	1
409	209	210	1
410	210	212	1
411	210	489	1
412	211	213	1
413	211	214	1
414	211	490	1
415	212	492	1
416	212	493	1
417	213	219	1
418	213	220	1
419	213	494	1
420	215	216	1
421	215	218	1
422	215	495	1
423	216	217	1
424	216	496	1
425	216	497	1
426	217	228	1
427	217	229	1
428	217	499	1
429	219	500	1
430	219	501	1
431	219	502	1
432	220	503	1
433	220	504	1
434	220	505	1
435	221	225	1
436	221	234	1
437	221	507	1
438	222	223	1
439	222	237	1
440	222	241	1
441	222	508	1
442	223	240	1
443	223	509	1
444	224	227	1
445	224	238	1
446	224	510	1
447	226	231	1
448	226	243	1
449	226	511	1
450	227	233	1
451	227	512	1
452	227	513	1
453	228	514	1
454	228	515	1
455	228	516	1
456	229	517	1
457	229	518	1
458	229	519	1
459	230	236	1
460	230	245	1
461	230	520	1
462	231	248	1
463	231	249	1
464	231	521	1
465	232	235	1
466	232	242	1
467	232	522	1
468	233	251	1
469	233	252	1
470	233	523	1
471	234	247	1
472	234	524	1
473	234	525	1
474	235	239	1
475	235	526	1
476	235	527	1
477	236	253	1
478	236	254	1
479	236	528	1
480	237	256	1
481	237	530	1
482	237	531	1
483	239	258	1
484	239	259	1
485	239	532	1
486	241	534	1
487	241	535	1
488	241	536	1
489	244	257	1
490	244	261	1
491	244	539	1
492	246	262	1
493	246	269	1
494	246	541	1
495	247	278	2
496	247	279	1
497	248	543	1
498	248	544	1
499	248	545	1
500	249	546	1
501	249	547	1
502	249	548	1
503	250	255	1
504	250	277	1
505	250	549	1
506	251	550	1
507	251	554	1
508	251	555	1
509	252	551	1
510	252	552	1
511	252	553	1
512	253	559	1
513	253	560	1
514	253	561	1
515	254	558	1
516	254	562	1
517	254	563	1
518	256	564	1
519	256	565	1
520	256	566	1
521	257	276	1
522	257	567	1
523	257	568	1
524	258	569	1
525	258	573	1
526	258	574	1
527	259	570	1
528	259	571	1
529	259	572	1
530	260	267	1
531	260	575	1
532	260	576	1
533	262	284	1
534	262	577	1
535	262	578	1
536	263	266	1
537	263	281	1
538	263	287	1
539	263	579	1
540	264	265	1
541	264	280	1
542	264	580	1
543	266	286	1
544	266	582	1
545	267	297	1
546	267	583	1
547	268	270	1
548	268	289	1
549	268	584	1
550	270	274	1
551	270	585	1
552	270	586	1
553	271	293	1
554	272	273	1
555	272	290	1
556	272	587	1
557	273	282	1
558	273	588	1
559	273	589	1
560	274	302	1
561	274	303	1
562	274	590	1
563	275	288	1
564	275	301	1
565	275	591	1
566	276	320	1
567	276	592	1
568	276	593	1
569	277	594	1
570	277	595	1
571	277	596	1
572	278	299	1
573	278	597	1
574	279	300	2
575	279	598	1
576	280	305	1
577	280	599	1
578	280	600	1
579	281	306	1
580	281	601	1
581	281	602	1
582	282	307	1
583	282	308	1
584	282	603	1
585	283	291	1
586	283	292	1
587	283	604	1
588	284	324	1
589	284	605	1
590	284	606	1
591	285	296	1
592	285	298	1
593	285	608	1
594	287	610	1
595	287	611	1
596	287	612	1
597	288	315	1
598	288	613	1
599	288	614	1
600	292	321	1
601	292	617	1
602	292	618	1
603	293	620	1
604	293	621	1
605	294	319	1
606	294	322	1
607	294	619	1
608	295	316	1
609	295	325	1
610	295	622	1
611	296	327	1
612	296	627	1
613	296	628	1
614	299	311	2
615	299	629	1
616	300	311	1
617	300	630	1
618	302	632	1
619	302	636	1
620	302	637	1
621	303	633	1
622	303	634	1
623	303	635	1
624	304	313	1
625	304	331	1
626	304	638	1
627	305	336	2
628	306	640	1
629	306	641	1
630	306	642	1
631	307	643	1
632	307	645	1
633	307	646	1
634	308	644	1
635	308	647	1
636	308	648	1
637	309	310	1
638	309	334	1
639	309	649	1
640	312	318	1
641	312	329	1
642	312	650	1
643	314	330	1
644	314	333	1
645	314	651	1
646	315	343	1
647	315	652	1
648	315	653	1
649	316	332	1
650	316	654	1
651	316	655	1
652	317	323	1
653	321	347	1
654	321	657	1
655	321	658	1
656	322	659	1
657	322	660	1
658	323	341	1
659	323	661	1
660	326	337	1
661	326	342	1
662	326	663	1
663	327	348	2
664	327	349	1
665	328	339	1
666	328	340	1
667	328	664	1
668	329	350	1
669	329	668	1
670	329	669	1
671	330	666	1
672	330	667	1
673	331	670	1
674	331	671	1
675	332	359	1
676	332	675	1
677	332	676	1
678	334	677	1
679	334	678	1
680	335	345	1
681	335	352	1
682	335	679	1
683	336	680	1
684	338	354	1
685	338	363	1
686	338	683	1
687	340	356	1
688	340	684	1
689	341	685	1
690	341	686	1
691	342	364	1
692	342	688	1
693	342	689	1
694	344	346	1
695	344	357	1
696	344	692	1
697	346	351	1
698	346	693	1
699	346	694	1
700	348	361	1
701	348	695	1
702	349	362	2
703	349	696	1
704	350	371	2
705	350	372	1
706	351	366	1
707	351	367	1
708	351	697	1
709	352	699	1
710	352	700	1
711	353	701	1
712	354	376	1
713	354	703	1
714	354	704	1
715	355	370	1
716	355	373	1
717	355	706	1
718	356	707	1
719	356	708	1
720	356	709	1
721	358	365	1
722	360	368	1
723	360	374	1
724	360	712	1
725	361	369	2
726	361	713	1
727	362	369	1
728	362	714	1
729	365	717	1
730	365	718	1
731	366	720	1
732	366	722	1
733	366	723	1
734	367	719	1
735	367	721	1
736	367	724	1
737	370	725	1
738	370	726	1
739	371	379	1
740	371	728	1
741	372	380	2
742	372	729	1
743	374	381	1
744	374	732	1
745	374	733	1
746	375	377	1
747	375	378	1
748	375	739	1
749	378	387	1
750	378	741	1
751	378	742	1
752	379	382	2
753	379	743	1
754	380	382	1
755	380	744	1
756	381	390	2
757	383	385	1
758	383	388	1
759	383	746	1
760	384	386	1
761	384	389	1
762	384	747	1
763	385	391	1
764	385	392	1
765	385	750	1
766	387	394	1
767	387	752	1
768	387	753	1
769	389	397	1
770	389	757	1
771	389	758	1
772	390	762	1
773	391	763	1
774	391	767	1
775	391	768	1
776	392	764	1
777	392	765	1
778	392	766	1
779	393	395	1
780	395	398	1
781	395	769	1
782	396	771	1
783	398	399	1
784	398	773	1
785	398	774	1
786	399	400	2
787	399	401	1
788	400	402	1
789	400	781	1
790	401	403	2
791	401	782	1
792	402	404	2
793	402	783	1
794	403	404	1
795	403	784	1
796	404	785	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
