@<TRIPOS>MOLECULE
91668170
704 716 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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223	C63   277.7224  -410.1730   170.6246	C.2	1	noname	0.0837
224	C64   272.0883  -440.8566   180.5603	C.2	1	noname	0.0837
225	C65   266.6134  -421.4129   164.9032	C.2	1	noname	-0.0058
226	C66   270.8512  -411.5106   192.5788	C.2	1	noname	-0.0058
227	C67   278.6134  -408.7870   168.8291	C.2	1	noname	-0.0058
228	C68   272.6992  -443.1703   180.0774	C.2	1	noname	-0.0058
229	C69   265.6458  -420.4344   165.2092	C.2	1	noname	-0.0213
230	C70   266.9771  -421.6058   163.5492	C.2	1	noname	-0.0213
231	C71   269.9656  -412.2434   193.3947	C.2	1	noname	-0.0213
232	C72   271.2626  -410.2210   193.0228	C.2	1	noname	-0.0213
233	C73   278.4285  -408.5218   167.4573	C.2	1	noname	-0.0213
234	C74   279.3544  -407.8555   169.5987	C.2	1	noname	-0.0213
235	C75   272.6432  -444.1371   179.0540	C.2	1	noname	-0.0213
236	C76   273.1011  -443.5854   181.3721	C.2	1	noname	-0.0213
237	C77   265.0911  -419.6352   164.1950	C.2	1	noname	-0.0101
238	C78   266.4555  -420.7866   162.5387	C.2	1	noname	-0.0101
239	C79   269.5245  -411.7440   194.6193	C.2	1	noname	-0.0101
240	C80   270.8443  -409.7290   194.2591	C.2	1	noname	-0.0101
241	C81   278.9095  -407.3288   166.8873	C.2	1	noname	-0.0101
242	C82   279.8075  -406.6498   169.0412	C.2	1	noname	-0.0101
243	C83   272.9530  -445.4826   179.3203	C.2	1	noname	-0.0101
244	C84   273.3980  -444.9300   181.6432	C.2	1	noname	-0.0101
245	C85   265.5053  -419.7938   162.8520	C.2	1	noname	-0.0123
246	C86   269.9606  -410.4636   195.0773	C.2	1	noname	-0.0123
247	C87   279.5940  -406.3710   167.6753	C.2	1	noname	-0.0123
248	C88   273.3199  -445.9013   180.6231	C.2	1	noname	-0.0123
249	C89   256.4061  -419.3847   165.7901	C.3	1	noname	0.0958
250	C90   258.3579  -415.3379   164.6321	C.3	1	noname	0.0958
251	C91   258.9162  -413.5494   156.5165	C.3	1	noname	0.0958
252	C92   255.5484  -412.6141   158.8154	C.3	1	noname	0.0958
253	C93   260.2981  -409.4023   204.4951	C.3	1	noname	0.0958
254	C94   263.1534  -411.2454   202.8835	C.3	1	noname	0.0958
255	C95   283.8942  -399.9755   156.5279	C.3	1	noname	0.0958
256	C96   281.1509  -401.4196   158.6499	C.3	1	noname	0.0958
257	C97   260.7612  -414.5564   195.6309	C.3	1	noname	0.0958
258	C98   262.5359  -414.4308   199.5328	C.3	1	noname	0.0958
259	C99   281.3617  -409.7316   158.4994	C.3	1	noname	0.0958
260	C100   279.6678  -405.8082   158.2312	C.3	1	noname	0.0958
261	C101   258.3926  -416.8737   164.7946	C.3	1	noname	0.0350
262	C102   256.2969  -417.8491   165.6069	C.3	1	noname	0.0350
263	C103   256.0145  -413.4876   157.6189	C.3	1	noname	0.0350
264	C104   258.4512  -413.8012   157.9842	C.3	1	noname	0.0350
265	C105   261.2749  -408.3639   203.8757	C.3	1	noname	0.0350
266	C106   263.2139  -409.7285   203.1826	C.3	1	noname	0.0350
267	C107   284.2994  -399.8466   158.0232	C.3	1	noname	0.0350
268	C108   282.2616  -400.5208   159.2425	C.3	1	noname	0.0350
269	C109   260.4382  -414.3327   197.1277	C.3	1	noname	0.0350
270	C110   262.6386  -413.9023   198.0824	C.3	1	noname	0.0350
271	C111   281.4242  -408.4132   157.6918	C.3	1	noname	0.0350
272	C112   280.3252  -406.8340   159.1836	C.3	1	noname	0.0350
273	C113   271.6025  -452.2549   173.7770	C.3	1	noname	0.0958
274	C114   267.8486  -450.0555   173.4756	C.3	1	noname	0.0958
275	C115   271.8160  -458.8809   176.9879	C.3	1	noname	0.0958
276	C116   273.3674  -455.4801   176.4727	C.3	1	noname	0.0958
277	C117   268.4951  -451.4487   173.3816	C.3	1	noname	0.0350
278	C118   270.7059  -451.1674   174.4185	C.3	1	noname	0.0350
279	C119   271.8942  -458.2026   178.3798	C.3	1	noname	0.0350
280	C120   273.1947  -456.1804   177.8625	C.3	1	noname	0.0350
281	C121   255.6003  -419.8502   167.0362	C.3	1	noname	0.1097
282	C122   259.7492  -414.7556   165.0305	C.3	1	noname	0.1097
283	C123   260.3039  -412.8458   156.4581	C.3	1	noname	0.1097
284	C124   254.3756  -411.6861   158.4217	C.3	1	noname	0.1097
285	C125   259.5407  -408.8541   205.7265	C.3	1	noname	0.1097
286	C126   264.4234  -411.9599   203.4196	C.3	1	noname	0.1097
287	C127   284.4957  -398.8591   155.6431	C.3	1	noname	0.1097
288	C128   279.7518  -400.9173   159.0921	C.3	1	noname	0.1097
289	C129   259.8559  -415.6563   195.0224	C.3	1	noname	0.1097
290	C130   263.8383  -415.1519   199.9829	C.3	1	noname	0.1097
291	C131   281.1217  -410.9461   157.5685	C.3	1	noname	0.1097
292	C132   278.2635  -405.3687   158.7345	C.3	1	noname	0.1097
293	C133   273.0409  -451.7335   173.5409	C.3	1	noname	0.1097
294	C134   267.0402  -449.7478   172.1864	C.3	1	noname	0.1097
295	C135   271.9056  -460.4200   177.0782	C.3	1	noname	0.1097
296	C136   274.8089  -454.9171   176.3069	C.3	1	noname	0.1097
297	C137   255.6368  -421.3851   167.2720	C.3	1	noname	0.1106
298	C138   259.8781  -413.2224   164.7674	C.3	1	noname	0.1106
299	C139   260.8029  -412.5309   155.0125	C.3	1	noname	0.1106
300	C140   253.9178  -410.7918   159.6096	C.3	1	noname	0.1106
301	C141   258.5373  -409.8887   206.3214	C.3	1	noname	0.1106
302	C142   264.3777  -413.4752   203.1337	C.3	1	noname	0.1106
303	C143   284.1149  -399.0167   154.1392	C.3	1	noname	0.1106
304	C144   278.6318  -401.7941   158.5021	C.3	1	noname	0.1106
305	C145   260.1111  -415.8464   193.5019	C.3	1	noname	0.1106
306	C146   264.2232  -416.4583   199.2186	C.3	1	noname	0.1106
307	C147   281.1306  -412.2889   158.3496	C.3	1	noname	0.1106
308	C148   277.1531  -406.4655   158.7890	C.3	1	noname	0.1106
309	C149   273.9595  -452.7997   172.8799	C.3	1	noname	0.1106
310	C150   266.3377  -448.3687   172.2693	C.3	1	noname	0.1106
311	C151   275.1830  -453.8679   177.4020	C.3	1	noname	0.1106
312	C152   271.7553  -461.1018   175.6869	C.3	1	noname	0.1106
313	C153   256.6490  -417.6086   163.1797	C.2	1	noname	0.0342
314	C154   256.7765  -415.5404   158.6956	C.2	1	noname	0.0342
315	C155   261.5537  -408.8835   201.4882	C.2	1	noname	0.0342
316	C156   284.2304  -402.0795   159.0554	C.2	1	noname	0.0342
317	C157   261.0563  -412.0134   197.7460	C.2	1	noname	0.0342
318	C158   282.7997  -406.7704   158.9386	C.2	1	noname	0.0342
319	C159   268.8717  -452.3456   175.6374	C.2	1	noname	0.0342
320	C160   270.7356  -456.0246   178.2711	C.2	1	noname	0.0342
321	C161   254.8609  -421.8222   168.5532	C.3	1	noname	0.1056
322	C162   261.2617  -412.6530   165.1561	C.3	1	noname	0.1056
323	C163   262.2361  -411.9103   154.9831	C.3	1	noname	0.1056
324	C164   252.7746  -409.8192   159.2099	C.3	1	noname	0.1056
325	C165   257.7363  -409.3011   207.5176	C.3	1	noname	0.1056
326	C166   265.6655  -414.2313   203.5436	C.3	1	noname	0.1056
327	C167   284.7806  -397.9263   153.2527	C.3	1	noname	0.1056
328	C168   277.2164  -401.4213   159.0007	C.3	1	noname	0.1056
329	C169   259.1383  -416.8763   192.8609	C.3	1	noname	0.1056
330	C170   265.5333  -417.1630   199.7015	C.3	1	noname	0.1056
331	C171   280.9918  -413.5217   157.4122	C.3	1	noname	0.1056
332	C172   275.7504  -405.9847   159.2875	C.3	1	noname	0.1056
333	C173   275.4316  -452.3203   172.7442	C.3	1	noname	0.1056
334	C174   265.4478  -448.0788   171.0279	C.3	1	noname	0.1056
335	C175   276.5690  -453.2063   177.2002	C.3	1	noname	0.1056
336	C176   271.7726  -462.6511   175.7977	C.3	1	noname	0.1056
337	C177   264.9782  -418.9727   161.8420	C.2	1	noname	0.0121
338	C178   269.5048  -409.9267   196.2890	C.2	1	noname	0.0121
339	C179   280.0641  -405.1668   167.1051	C.2	1	noname	0.0121
340	C180   273.6104  -447.2590   180.8957	C.2	1	noname	0.0121
341	C181   257.3523  -417.3071   161.9764	C.2	1	noname	0.0636
342	C182   257.4688  -416.2416   159.7385	C.2	1	noname	0.0636
343	C183   262.1096  -409.4990   200.3349	C.2	1	noname	0.0636
344	C184   261.8420  -411.0440   198.4361	C.2	1	noname	0.0636
345	C185   283.6703  -403.1983   159.7300	C.2	1	noname	0.0636
346	C186   282.9862  -405.5648   159.6774	C.2	1	noname	0.0636
347	C187   269.6582  -452.7798   176.7357	C.2	1	noname	0.0636
348	C188   270.6134  -454.6250   178.0516	C.2	1	noname	0.0636
349	C189   256.8441  -416.4014   161.0082	C.2	1	noname	0.0661
350	C190   261.3872  -410.5182   199.6665	C.2	1	noname	0.0661
351	C191   283.4081  -404.3912   159.0115	C.2	1	noname	0.0661
352	C192   269.9357  -454.1550   176.9005	C.2	1	noname	0.0661
353	C193   258.7018  -416.8934   159.5197	C.2	1	noname	0.0648
354	C194   258.5563  -417.9838   161.6823	C.2	1	noname	0.0648
355	C195   263.3715  -409.1042   199.8207	C.2	1	noname	0.0648
356	C196   263.0776  -410.5899   197.9099	C.2	1	noname	0.0648
357	C197   283.3828  -403.1588   161.1198	C.2	1	noname	0.0648
358	C198   282.7555  -405.5150   161.0759	C.2	1	noname	0.0648
359	C199   261.2985  -411.0984   164.9145	C.3	1	noname	0.0718
360	C200   254.9103  -423.3538   168.7701	C.3	1	noname	0.0718
361	C201   252.3360  -408.9349   160.3981	C.3	1	noname	0.0718
362	C202   262.7352  -411.6302   153.5433	C.3	1	noname	0.0718
363	C203   271.1407  -453.6733   178.9658	C.2	1	noname	0.0648
364	C204   270.1239  -451.8544   177.7001	C.2	1	noname	0.0648
365	C205   256.7165  -410.3100   208.0918	C.3	1	noname	0.0718
366	C206   265.6451  -415.7152   203.1211	C.3	1	noname	0.0718
367	C207   284.4345  -398.0960   151.7564	C.3	1	noname	0.0718
368	C208   276.1357  -402.4097   158.5116	C.3	1	noname	0.0718
369	C209   259.3870  -417.0346   191.3442	C.3	1	noname	0.0718
370	C210   265.8932  -418.3817   198.8279	C.3	1	noname	0.0718
371	C211   281.0289  -414.8498   158.2008	C.3	1	noname	0.0718
372	C212   274.7467  -407.1466   159.4180	C.3	1	noname	0.0718
373	C213   259.3307  -417.5824   160.5715	C.2	1	noname	0.0608
374	C214   263.9188  -409.7528   198.6879	C.2	1	noname	0.0608
375	C215   282.7951  -404.2747   161.7637	C.2	1	noname	0.0608
376	C216   264.7398  -446.7112   171.1449	C.3	1	noname	0.0718
377	C217   276.3663  -453.4485   172.2478	C.3	1	noname	0.0718
378	C218   271.5952  -463.3343   174.4243	C.3	1	noname	0.0718
379	C219   276.8972  -452.2047   178.3305	C.3	1	noname	0.0718
380	C220   271.0111  -452.2846   178.7171	C.2	1	noname	0.0608
381	C221   262.9778  -417.9185   160.9198	C.3	1	noname	0.0772
382	C222   267.5646  -409.7136   197.8159	C.3	1	noname	0.0772
383	C223   280.9896  -404.1281   165.0544	C.3	1	noname	0.0772
384	C224   273.1390  -449.6051   180.2533	C.3	1	noname	0.0772
385	C225   261.6112  -417.6924   161.3795	C.2	1	noname	0.1378
386	C226   266.2110  -410.2784   197.9161	C.2	1	noname	0.1378
387	C227   281.2479  -404.5624   163.6719	C.2	1	noname	0.1378
388	C228   272.3686  -450.2801   179.1980	C.2	1	noname	0.1378
389	H1   274.7317  -422.0593   180.2202	H	1	noname	0.0444
390	H2   274.7507  -421.7494   178.5845	H	1	noname	0.0444
391	H3   272.7925  -424.8441   180.1438	H	1	noname	0.0444
392	H4   273.9181  -423.9057   181.0621	H	1	noname	0.0444
393	H5   276.9072  -423.5617   179.4266	H	1	noname	0.0444
394	H6   276.9185  -422.3906   178.1719	H	1	noname	0.0444
395	H7   279.0294  -422.1600   180.7246	H	1	noname	0.0444
396	H8   278.2809  -421.2300   181.9405	H	1	noname	0.0444
397	H9   277.9749  -424.1232   181.3338	H	1	noname	0.0444
398	H10   278.4864  -423.3935   182.8209	H	1	noname	0.0444
399	H11   276.5722  -425.2278   183.9857	H	1	noname	0.0444
400	H12   276.7558  -425.7135   182.3599	H	1	noname	0.0444
401	H13   274.4539  -426.4452   179.5536	H	1	noname	0.0444
402	H14   275.7558  -425.5939   180.2830	H	1	noname	0.0444
403	H15   274.5058  -426.1788   183.8772	H	1	noname	0.0444
404	H16   273.9095  -424.8369   183.0476	H	1	noname	0.0444
405	H17   273.7373  -422.7782   177.1520	H	1	noname	0.0576
406	H18   278.3297  -420.3598   178.9159	H	1	noname	0.0576
407	H19   274.7636  -423.0254   183.7982	H	1	noname	0.0576
408	H20   274.1213  -428.1398   182.9269	H	1	noname	0.0576
409	H21   273.5984  -425.7186   176.9534	H	1	noname	0.0293
410	H22   275.0611  -424.7783   176.6989	H	1	noname	0.0293
411	H23   275.4704  -419.8251   178.4410	H	1	noname	0.0293
412	H24   276.1231  -418.4001   178.9126	H	1	noname	0.0293
413	H25   275.2705  -421.1781   182.1510	H	1	noname	0.0293
414	H26   276.4802  -420.6480   183.3128	H	1	noname	0.0293
415	H27   272.2896  -428.0881   181.3669	H	1	noname	0.0293
416	H28   273.3742  -428.2530   179.9894	H	1	noname	0.0293
417	H29   273.0436  -423.4028   175.2005	H	1	noname	0.0361
418	H30   274.4675  -424.1782   174.5902	H	1	noname	0.0361
419	H31   277.2887  -420.0934   176.7143	H	1	noname	0.0361
420	H32   277.8088  -418.4923   177.1839	H	1	noname	0.0361
421	H33   273.4339  -420.8229   183.5810	H	1	noname	0.0361
422	H34   274.4570  -420.7186   185.0097	H	1	noname	0.0361
423	H35   272.7673  -430.2668   182.1807	H	1	noname	0.0361
424	H36   274.2121  -430.4299   181.1920	H	1	noname	0.0361
425	H37   272.0659  -423.8610   173.3261	H	1	noname	0.1315
426	H38   274.6677  -418.7032   185.6917	H	1	noname	0.1315
427	H39   277.0232  -416.9774   175.9397	H	1	noname	0.1315
428	H40   273.1468  -432.3708   180.9033	H	1	noname	0.1315
429	H41   270.3369  -425.8995   173.1522	H	1	noname	0.0529
430	H42   271.7872  -426.4362   172.2486	H	1	noname	0.0529
431	H43   274.0274  -416.3893   184.0572	H	1	noname	0.0529
432	H44   275.6360  -416.5074   184.8096	H	1	noname	0.0529
433	H45   275.4668  -417.5094   173.6833	H	1	noname	0.0529
434	H46   274.5708  -416.4904   174.8391	H	1	noname	0.0529
435	H47   270.8466  -432.8935   179.4324	H	1	noname	0.0529
436	H48   272.2759  -432.8806   178.3639	H	1	noname	0.0529
437	H49   270.0221  -426.3505   170.6201	H	1	noname	0.1371
438	H50   274.2614  -414.4670   185.5706	H	1	noname	0.1371
439	H51   275.1694  -415.3605   172.4516	H	1	noname	0.1371
440	H52   271.2505  -435.2468   178.4722	H	1	noname	0.1371
441	H53   268.8356  -423.0499   170.4789	H	1	noname	0.0639
442	H54   270.0426  -426.3930   168.1871	H	1	noname	0.0639
443	H55   273.7744  -412.4663   186.3475	H	1	noname	0.0639
444	H56   272.9360  -415.8391   188.7664	H	1	noname	0.0639
445	H57   275.0123  -413.8391   170.7864	H	1	noname	0.0639
446	H58   278.2461  -413.5524   173.4969	H	1	noname	0.0639
447	H59   270.6780  -437.3568   177.9967	H	1	noname	0.0639
448	H60   273.5459  -436.6740   181.0354	H	1	noname	0.0639
449	H61   268.0465  -421.9601   168.5062	H	1	noname	0.0631
450	H62   269.2201  -425.3243   166.2073	H	1	noname	0.0631
451	H63   273.0452  -411.0395   188.1167	H	1	noname	0.0631
452	H64   272.2163  -414.4340   190.5039	H	1	noname	0.0631
453	H65   275.7475  -411.8052   169.7353	H	1	noname	0.0631
454	H66   278.9204  -411.5392   172.5066	H	1	noname	0.0631
455	H67   270.7756  -439.7111   178.4757	H	1	noname	0.0631
456	H68   273.5815  -438.9536   181.5432	H	1	noname	0.0631
457	H69   266.6254  -422.0614   166.7816	H	1	noname	0.1374
458	H70   270.7848  -412.9270   191.1877	H	1	noname	0.1374
459	H71   277.9378  -410.6695   168.7018	H	1	noname	0.1374
460	H72   272.4780  -441.6632   178.7839	H	1	noname	0.1374
461	H73   265.3444  -420.2865   166.1769	H	1	noname	0.0639
462	H74   267.6182  -422.3445   163.2679	H	1	noname	0.0639
463	H75   269.6390  -413.1753   193.0892	H	1	noname	0.0639
464	H76   271.8612  -409.6237   192.4566	H	1	noname	0.0639
465	H77   277.9315  -409.1919   166.8640	H	1	noname	0.0639
466	H78   279.5869  -408.0428   170.5744	H	1	noname	0.0639
467	H79   272.3788  -443.8670   178.1022	H	1	noname	0.0639
468	H80   273.2036  -442.9201   182.1375	H	1	noname	0.0639
469	H81   264.3972  -418.9257   164.4491	H	1	noname	0.0631
470	H82   266.7665  -420.9318   161.5741	H	1	noname	0.0631
471	H83   268.8862  -412.3085   195.1978	H	1	noname	0.0631
472	H84   271.1821  -408.8069   194.5545	H	1	noname	0.0631
473	H85   278.7409  -407.1612   165.8915	H	1	noname	0.0631
474	H86   280.3085  -405.9866   169.6395	H	1	noname	0.0631
475	H87   272.9185  -446.1513   178.5461	H	1	noname	0.0631
476	H88   273.6685  -445.1912   182.5957	H	1	noname	0.0631
477	H89   258.1535  -415.0830   163.5888	H	1	noname	0.0642
478	H90   256.0238  -419.8828   164.8921	H	1	noname	0.0642
479	H91   255.2399  -413.2692   159.6316	H	1	noname	0.0642
480	H92   258.2215  -412.8936   155.9964	H	1	noname	0.0642
481	H93   260.8648  -410.2610   204.8455	H	1	noname	0.0642
482	H94   263.0958  -411.4057   201.8099	H	1	noname	0.0642
483	H95   282.8152  -399.8804   156.4400	H	1	noname	0.0642
484	H96   281.2817  -402.4379   159.0041	H	1	noname	0.0642
485	H97   261.8062  -414.8544   195.5113	H	1	noname	0.0642
486	H98   261.6794  -415.1038   199.6269	H	1	noname	0.0642
487	H99   280.5531  -409.6866   159.2339	H	1	noname	0.0642
488	H100   279.5994  -406.2218   157.2211	H	1	noname	0.0642
489	H101   258.7082  -417.1189   165.8106	H	1	noname	0.0463
490	H102   259.1765  -417.2783   164.1544	H	1	noname	0.0463
491	H103   255.2527  -417.5661   165.4387	H	1	noname	0.0463
492	H104   256.5819  -417.3384   166.5375	H	1	noname	0.0463
493	H105   255.1731  -414.0770   157.2440	H	1	noname	0.0463
494	H106   256.2581  -412.8346   156.7813	H	1	noname	0.0463
495	H107   259.1882  -414.4166   158.4956	H	1	noname	0.0463
496	H108   258.4985  -412.8591   158.5241	H	1	noname	0.0463
497	H109   261.9530  -407.9841   204.6463	H	1	noname	0.0463
498	H110   260.7135  -407.4862   203.5381	H	1	noname	0.0463
499	H111   263.4061  -409.6358   204.2566	H	1	noname	0.0463
500	H112   264.0993  -409.3122   202.7037	H	1	noname	0.0463
501	H113   284.0563  -398.8438   158.3884	H	1	noname	0.0463
502	H114   285.3879  -399.9238   158.1181	H	1	noname	0.0463
503	H115   282.1916  -400.5485   160.3293	H	1	noname	0.0463
504	H116   282.0038  -399.4919   158.9696	H	1	noname	0.0463
505	H117   260.5249  -415.2906   197.6515	H	1	noname	0.0463
506	H118   259.3940  -414.0247   197.2689	H	1	noname	0.0463
507	H119   262.9516  -414.7170   197.4304	H	1	noname	0.0463
508	H120   263.4436  -413.1761   197.9892	H	1	noname	0.0463
509	H121   280.5046  -408.3208   157.1045	H	1	noname	0.0463
510	H122   282.2334  -408.4354   156.9505	H	1	noname	0.0463
511	H123   279.6285  -407.6543   159.3534	H	1	noname	0.0463
512	H124   280.4659  -406.4102   160.1758	H	1	noname	0.0463
513	H125   268.6315  -449.3029   173.6051	H	1	noname	0.0642
514	H126   271.6341  -453.1224   174.4363	H	1	noname	0.0642
515	H127   272.6521  -458.5477   176.3741	H	1	noname	0.0642
516	H128   272.6725  -454.6461   176.3600	H	1	noname	0.0642
517	H129   267.7322  -452.2321   173.2819	H	1	noname	0.0463
518	H130   269.0563  -451.4811   172.4468	H	1	noname	0.0463
519	H131   271.1076  -450.8759   175.3931	H	1	noname	0.0463
520	H132   270.7605  -450.2547   173.8134	H	1	noname	0.0463
521	H133   271.0648  -458.5352   179.0136	H	1	noname	0.0463
522	H134   272.7969  -458.5354   178.9039	H	1	noname	0.0463
523	H135   273.9926  -456.9256   177.9371	H	1	noname	0.0463
524	H136   273.4077  -455.4819   178.6640	H	1	noname	0.0463
525	H137   256.0328  -419.3548   167.9101	H	1	noname	0.0656
526	H138   260.5211  -415.2699   164.4396	H	1	noname	0.0656
527	H139   261.0237  -413.5082   156.9452	H	1	noname	0.0656
528	H140   254.7144  -411.0470   157.6000	H	1	noname	0.0656
529	H141   259.0023  -407.9531   205.4181	H	1	noname	0.0656
530	H142   264.5489  -411.7812   204.4920	H	1	noname	0.0656
531	H143   285.5835  -398.8898   155.7537	H	1	noname	0.0656
532	H144   279.6033  -399.8724   158.8086	H	1	noname	0.0656
533	H145   258.8174  -415.3528   195.1801	H	1	noname	0.0656
534	H146   263.6735  -415.4377   201.0270	H	1	noname	0.0656
535	H147   281.9232  -410.9541   156.8248	H	1	noname	0.0656
536	H148   277.9117  -404.6143   158.0216	H	1	noname	0.0656
537	H149   272.9994  -450.8417   172.8954	H	1	noname	0.0656
538	H150   266.2878  -450.5329   172.0651	H	1	noname	0.0656
539	H151   274.8758  -454.4297   175.3374	H	1	noname	0.0656
540	H152   271.1113  -460.7650   177.7473	H	1	noname	0.0656
541	H153   256.6816  -421.6976   167.3760	H	1	noname	0.0657
542	H154   259.0934  -412.7219   165.3563	H	1	noname	0.0657
543	H155   260.8192  -413.4626   154.4384	H	1	noname	0.0657
544	H156   254.7636  -410.1892   159.9567	H	1	noname	0.0657
545	H157   257.8280  -410.1852   205.5413	H	1	noname	0.0657
546	H158   264.2873  -413.5276   202.0636	H	1	noname	0.0657
547	H159   284.4485  -399.9994   153.7891	H	1	noname	0.0657
548	H160   278.8552  -402.7735   158.8780	H	1	noname	0.0657
549	H161   259.9718  -414.8819   193.0028	H	1	noname	0.0657
550	H162   264.3515  -416.2367   198.1581	H	1	noname	0.0657
551	H163   282.0793  -412.3701   158.8901	H	1	noname	0.0657
552	H164   277.4671  -407.2747   159.4500	H	1	noname	0.0657
553	H165   273.9097  -453.6930   173.5040	H	1	noname	0.0657
554	H166   265.7040  -448.3576   173.1618	H	1	noname	0.0657
555	H167   275.2428  -454.3770   178.3742	H	1	noname	0.0657
556	H168   270.8026  -460.7956   175.2435	H	1	noname	0.0657
557	H169   253.8126  -421.5146   168.4765	H	1	noname	0.0652
558	H170   261.4102  -412.8213   166.2298	H	1	noname	0.0652
559	H171   262.2440  -410.9683   155.5428	H	1	noname	0.0652
560	H172   251.9149  -410.3954   158.8542	H	1	noname	0.0652
561	H173   258.4294  -409.0080   208.3128	H	1	noname	0.0652
562	H174   266.5149  -413.7740   203.0274	H	1	noname	0.0652
563	H175   284.4500  -396.9359   153.5817	H	1	noname	0.0652
564	H176   277.2036  -401.4626   160.0963	H	1	noname	0.0652
565	H177   259.2622  -417.8506   193.3447	H	1	noname	0.0652
566	H178   265.4193  -417.5032   200.7336	H	1	noname	0.0652
567	H179   280.0472  -413.4613   156.8621	H	1	noname	0.0652
568	H180   275.3419  -405.2531   158.5862	H	1	noname	0.0652
569	H181   275.7889  -451.9837   173.7175	H	1	noname	0.0652
570	H182   266.0631  -448.0850   170.1221	H	1	noname	0.0652
571	H183   277.3309  -453.9888   177.1961	H	1	noname	0.0652
572	H184   272.7231  -462.9729   176.2339	H	1	noname	0.0652
573	H185   258.0931  -419.3932   166.7358	H	1	noname	0.2106
574	H186   256.4806  -415.0931   165.0111	H	1	noname	0.2106
575	H187   257.9770  -415.0334   155.7035	H	1	noname	0.2106
576	H188   256.9052  -411.2474   158.5974	H	1	noname	0.2106
577	H189   258.8894  -409.0830   203.2020	H	1	noname	0.2106
578	H190   262.1106  -411.8200   204.3946	H	1	noname	0.2106
579	H191   285.2224  -401.3279   156.1240	H	1	noname	0.2106
580	H192   280.9653  -400.6074   156.9145	H	1	noname	0.2106
581	H193   259.6933  -413.0558   195.1059	H	1	noname	0.2106
582	H194   262.1259  -413.7524   201.3019	H	1	noname	0.2106
583	H195   283.2706  -409.8586   158.5657	H	1	noname	0.2106
584	H196   280.0883  -404.0889   157.4374	H	1	noname	0.2106
585	H197   271.1434  -451.9204   171.9500	H	1	noname	0.2106
586	H198   266.3770  -450.7223   174.5098	H	1	noname	0.2106
587	H199   273.0573  -455.7730   174.5798	H	1	noname	0.2106
588	H200   269.8890  -458.7533   176.9189	H	1	noname	0.2106
589	H201   254.4715  -423.8695   167.9134	H	1	noname	0.0591
590	H202   255.9454  -423.6835   168.8869	H	1	noname	0.0591
591	H203   260.5358  -410.6699   165.6540	H	1	noname	0.0591
592	H204   261.1477  -410.7594   163.8016	H	1	noname	0.0591
593	H205   262.7697  -412.5603   152.9701	H	1	noname	0.0591
594	H206   262.0633  -410.9308   153.0402	H	1	noname	0.0591
595	H207   251.9859  -409.5592   161.2232	H	1	noname	0.0591
596	H208   253.1752  -408.3276   160.7480	H	1	noname	0.0591
597	H209   257.2294  -411.2074   208.4446	H	1	noname	0.0591
598	H210   255.9955  -410.5957   207.3220	H	1	noname	0.0591
599	H211   264.7522  -416.2340   203.4571	H	1	noname	0.0591
600	H212   265.6647  -415.7336   202.0333	H	1	noname	0.0591
601	H213   283.3545  -398.0305   151.6078	H	1	noname	0.0591
602	H214   284.7814  -399.0682   151.3978	H	1	noname	0.0591
603	H215   276.3410  -403.3616   159.0015	H	1	noname	0.0591
604	H216   276.1627  -402.5656   157.4382	H	1	noname	0.0591
605	H217   260.4090  -417.3745   191.1630	H	1	noname	0.0591
606	H218   259.2390  -416.0781   190.8367	H	1	noname	0.0591
607	H219   265.1060  -419.1306   198.8915	H	1	noname	0.0591
608	H220   266.0085  -418.0838   197.7861	H	1	noname	0.0591
609	H221   280.2128  -414.8809   158.9259	H	1	noname	0.0591
610	H222   281.9778  -414.9442   158.7347	H	1	noname	0.0591
611	H223   275.1280  -407.9032   160.1001	H	1	noname	0.0591
612	H224   274.5751  -407.6122   158.4495	H	1	noname	0.0591
613	H225   253.8959  -419.8520   166.1311	H	1	noname	0.2106
614	H226   259.2879  -414.6124   166.9006	H	1	noname	0.2106
615	H227   259.6456  -411.0391   156.7390	H	1	noname	0.2106
616	H228   253.0482  -413.0501   158.6925	H	1	noname	0.2106
617	H229   260.9508  -409.3151   206.9693	H	1	noname	0.2106
618	H230   265.3514  -411.5056   201.7837	H	1	noname	0.2106
619	H231   283.0624  -397.6098   156.0058	H	1	noname	0.2106
620	H232   279.9255  -401.9362   160.7251	H	1	noname	0.2106
621	H233   276.3317  -454.2925   172.9376	H	1	noname	0.0591
622	H234   276.0584  -453.7952   171.2594	H	1	noname	0.0591
623	H235   264.0978  -446.6954   172.0292	H	1	noname	0.0591
624	H236   265.4783  -445.9112   171.2316	H	1	noname	0.0591
625	H237   276.8763  -452.7093   179.2955	H	1	noname	0.0591
626	H238   276.1697  -451.3906   178.3470	H	1	noname	0.0591
627	H239   270.6389  -463.0471   173.9816	H	1	noname	0.0591
628	H240   272.4000  -463.0372   173.7496	H	1	noname	0.0591
629	H241   260.9754  -417.1520   195.5503	H	1	noname	0.2106
630	H242   265.0206  -414.0019   198.9703	H	1	noname	0.2106
631	H243   279.1859  -410.8002   157.5430	H	1	noname	0.2106
632	H244   278.7213  -405.4773   160.6098	H	1	noname	0.2106
633	H245   273.4160  -452.1244   175.3828	H	1	noname	0.2106
634	H246   268.5529  -449.0966   171.1550	H	1	noname	0.2106
635	H247   275.4338  -456.5546   175.5096	H	1	noname	0.2106
636	H248   273.8383  -460.4533   177.0260	H	1	noname	0.2106
637	H249   263.0835  -419.3723   162.3677	H	1	noname	0.1319
638	H250   267.6404  -410.5091   195.9279	H	1	noname	0.1319
639	H251   280.7621  -406.1161   165.4975	H	1	noname	0.1319
640	H252   272.1244  -447.9023   179.7299	H	1	noname	0.1319
641	H253   254.1978  -421.7257   166.0301	H	1	noname	0.2106
642	H254   260.3133  -413.4399   162.9078	H	1	noname	0.2106
643	H255   259.8671  -410.8367   154.8706	H	1	noname	0.2106
644	H256   252.8047  -412.1775   160.3690	H	1	noname	0.2106
645	H257   259.8679  -410.8145   207.3927	H	1	noname	0.2106
646	H258   263.2392  -414.0071   204.6156	H	1	noname	0.2106
647	H259   282.3942  -398.1297   154.3079	H	1	noname	0.2106
648	H260   278.5362  -401.0182   156.7229	H	1	noname	0.2106
649	H261   261.5881  -417.0734   193.7605	H	1	noname	0.2106
650	H262   263.0226  -417.5209   200.2900	H	1	noname	0.2106
651	H263   279.2599  -412.1768   158.8411	H	1	noname	0.2106
652	H264   276.7742  -406.2583   156.9110	H	1	noname	0.2106
653	H265   273.4460  -452.3831   171.0748	H	1	noname	0.2106
654	H266   267.8966  -447.3952   171.6560	H	1	noname	0.2106
655	H267   274.2221  -452.3135   176.7380	H	1	noname	0.2106
656	H268   273.6609  -460.8782   175.1738	H	1	noname	0.2106
657	H269   262.9585  -418.3225   159.9076	H	1	noname	0.0529
658	H270   263.5821  -417.0115   160.9362	H	1	noname	0.0529
659	H271   267.5102  -408.6267   197.8774	H	1	noname	0.0529
660	H272   268.2213  -410.0801   198.6049	H	1	noname	0.0529
661	H273   280.1864  -403.3913   165.0597	H	1	noname	0.0529
662	H274   281.8129  -403.5500   165.4742	H	1	noname	0.0529
663	H275   272.8733  -450.0263   181.2229	H	1	noname	0.0529
664	H276   274.2148  -449.6993   180.1056	H	1	noname	0.0529
665	H277   260.9558  -418.0581   159.5516	H	1	noname	0.1372
666	H278   265.5444  -408.5995   198.6971	H	1	noname	0.1372
667	H279   282.8451  -403.4115   163.5607	H	1	noname	0.1372
668	H280   256.3507  -421.4255   169.8006	H	1	noname	0.2106
669	H281   262.2017  -413.1876   163.5100	H	1	noname	0.2106
670	H282   263.1689  -413.6523   155.1532	H	1	noname	0.2106
671	H283   253.9896  -408.4614   158.4259	H	1	noname	0.2106
672	H284   271.8998  -451.7552   180.4210	H	1	noname	0.1372
673	H285   256.4192  -408.3552   206.3759	H	1	noname	0.2106
674	H286   265.1569  -414.4869   205.4376	H	1	noname	0.2106
675	H287   286.5245  -398.8632   153.1337	H	1	noname	0.2106
676	H288   276.8918  -399.9989   157.6663	H	1	noname	0.2106
677	H289   257.6463  -415.5860   192.6540	H	1	noname	0.2106
678	H290   266.7889  -415.9688   198.7373	H	1	noname	0.2106
679	H291   282.9113  -413.5663   156.9149	H	1	noname	0.2106
680	H292   276.1835  -406.0027   161.2230	H	1	noname	0.2106
681	H293   276.4572  -450.9052   171.8113	H	1	noname	0.2106
682	H294   263.8985  -449.1282   171.6860	H	1	noname	0.2106
683	H295   277.5391  -452.1291   175.8586	H	1	noname	0.2106
684	H296   269.8640  -462.7995   176.3156	H	1	noname	0.2106
685	H297   262.6670  -409.6856   165.3439	H	1	noname	0.2101
686	H298   254.2207  -424.6961   170.0489	H	1	noname	0.2101
687	H299   251.0049  -407.5204   160.7686	H	1	noname	0.2101
688	H300   264.3327  -410.8862   152.6441	H	1	noname	0.2101
689	H301   255.3747  -410.3891   209.5428	H	1	noname	0.2101
690	H302   266.7128  -417.3668   203.2972	H	1	noname	0.2101
691	H303   284.8229  -397.1937   150.0397	H	1	noname	0.2101
692	H304   274.1768  -402.6756   158.5357	H	1	noname	0.2101
693	H305   258.6665  -418.0818   189.8292	H	1	noname	0.2101
694	H306   267.3226  -419.7407   198.7014	H	1	noname	0.2101
695	H307   280.9083  -416.7896   157.8358	H	1	noname	0.2101
696	H308   272.8794  -407.4373   159.9954	H	1	noname	0.2101
697	H309   263.5046  -445.5916   170.0817	H	1	noname	0.2101
698	H310   278.2824  -453.7258   171.8472	H	1	noname	0.2101
699	H311   271.5198  -465.1681   173.6876	H	1	noname	0.2101
700	H312   278.3893  -451.0194   178.8550	H	1	noname	0.2101
701	H313   279.2146  -417.6862   180.9467	H	1	noname	0.2213
702	H314   276.1768  -422.9434   186.9775	H	1	noname	0.2213
703	H315   270.4491  -422.2692   177.9180	H	1	noname	0.2213
704	H316   277.5404  -428.8080   182.5534	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	349	1
2	2	350	1
3	3	351	1
4	4	352	1
5	5	353	1
6	6	354	1
7	7	355	1
8	8	356	1
9	9	357	1
10	10	358	1
11	11	363	1
12	12	364	1
13	13	177	1
14	13	701	1
15	14	178	1
16	14	702	1
17	15	179	1
18	15	703	1
19	16	177	2
20	17	178	2
21	18	179	2
22	19	180	1
23	19	704	1
24	20	180	2
25	21	185	2
26	22	186	2
27	23	187	2
28	24	188	2
29	25	193	2
30	26	194	2
31	27	195	2
32	28	196	2
33	29	221	2
34	30	222	2
35	31	223	2
36	32	224	2
37	249	33	1
38	33	573	1
39	250	34	1
40	34	574	1
41	251	35	1
42	35	575	1
43	252	36	1
44	36	576	1
45	253	37	1
46	37	577	1
47	254	38	1
48	38	578	1
49	255	39	1
50	39	579	1
51	256	40	1
52	40	580	1
53	257	41	1
54	41	581	1
55	258	42	1
56	42	582	1
57	259	43	1
58	43	583	1
59	260	44	1
60	44	584	1
61	273	45	1
62	45	585	1
63	274	46	1
64	46	586	1
65	276	47	1
66	47	587	1
67	275	48	1
68	48	588	1
69	281	49	1
70	49	613	1
71	282	50	1
72	50	614	1
73	283	51	1
74	51	615	1
75	284	52	1
76	52	616	1
77	285	53	1
78	53	617	1
79	286	54	1
80	54	618	1
81	287	55	1
82	55	619	1
83	288	56	1
84	56	620	1
85	289	57	1
86	57	629	1
87	290	58	1
88	58	630	1
89	291	59	1
90	59	631	1
91	292	60	1
92	60	632	1
93	293	61	1
94	61	633	1
95	294	62	1
96	62	634	1
97	296	63	1
98	63	635	1
99	295	64	1
100	64	636	1
101	297	65	1
102	65	641	1
103	298	66	1
104	66	642	1
105	299	67	1
106	67	643	1
107	300	68	1
108	68	644	1
109	301	69	1
110	69	645	1
111	302	70	1
112	70	646	1
113	303	71	1
114	71	647	1
115	304	72	1
116	72	648	1
117	305	73	1
118	73	649	1
119	306	74	1
120	74	650	1
121	307	75	1
122	75	651	1
123	308	76	1
124	76	652	1
125	309	77	1
126	77	653	1
127	310	78	1
128	78	654	1
129	311	79	1
130	79	655	1
131	312	80	1
132	80	656	1
133	321	81	1
134	81	668	1
135	322	82	1
136	82	669	1
137	323	83	1
138	83	670	1
139	324	84	1
140	84	671	1
141	325	85	1
142	85	673	1
143	326	86	1
144	86	674	1
145	327	87	1
146	87	675	1
147	328	88	1
148	88	676	1
149	329	89	1
150	89	677	1
151	330	90	1
152	90	678	1
153	331	91	1
154	91	679	1
155	332	92	1
156	92	680	1
157	333	93	1
158	93	681	1
159	334	94	1
160	94	682	1
161	335	95	1
162	95	683	1
163	336	96	1
164	96	684	1
165	97	313	2
166	98	314	2
167	99	315	2
168	100	316	2
169	101	317	2
170	102	318	2
171	103	319	2
172	104	320	2
173	105	337	2
174	106	338	2
175	107	339	2
176	108	340	2
177	109	360	1
178	109	686	1
179	110	359	1
180	110	685	1
181	111	362	1
182	111	688	1
183	112	361	1
184	112	687	1
185	113	365	1
186	113	689	1
187	114	366	1
188	114	690	1
189	115	367	1
190	115	691	1
191	116	368	1
192	116	692	1
193	117	369	1
194	117	693	1
195	118	370	1
196	118	694	1
197	119	371	1
198	119	695	1
199	120	372	1
200	120	696	1
201	121	377	1
202	121	698	1
203	122	376	1
204	122	697	1
205	123	379	1
206	123	700	1
207	124	378	1
208	124	699	1
209	125	385	2
210	126	386	2
211	127	387	2
212	128	388	2
213	129	161	1
214	129	162	1
215	129	169	1
216	130	163	1
217	130	164	1
218	130	170	1
219	131	165	1
220	131	166	1
221	131	171	1
222	132	167	1
223	132	168	1
224	132	172	1
225	133	185	1
226	133	189	1
227	133	425	1
228	134	186	1
229	134	190	1
230	134	426	1
231	135	187	1
232	135	191	1
233	135	427	1
234	136	188	1
235	136	192	1
236	136	428	1
237	137	193	1
238	137	197	1
239	137	437	1
240	138	194	1
241	138	198	1
242	138	438	1
243	139	195	1
244	139	199	1
245	139	439	1
246	140	196	1
247	140	200	1
248	140	440	1
249	141	221	1
250	141	225	1
251	141	457	1
252	142	222	1
253	142	226	1
254	142	458	1
255	143	223	1
256	143	227	1
257	143	459	1
258	144	224	1
259	144	228	1
260	144	460	1
261	145	261	1
262	145	262	1
263	145	313	1
264	146	263	1
265	146	264	1
266	146	314	1
267	147	265	1
268	147	266	1
269	147	315	1
270	148	267	1
271	148	268	1
272	148	316	1
273	149	269	1
274	149	270	1
275	149	317	1
276	150	271	1
277	150	272	1
278	150	318	1
279	151	277	1
280	151	278	1
281	151	319	1
282	152	279	1
283	152	280	1
284	152	320	1
285	153	337	1
286	153	381	1
287	153	637	1
288	154	338	1
289	154	382	1
290	154	638	1
291	155	339	1
292	155	383	1
293	155	639	1
294	156	340	1
295	156	384	1
296	156	640	1
297	157	373	1
298	157	385	1
299	157	665	1
300	158	374	1
301	158	386	1
302	158	666	1
303	159	375	1
304	159	387	1
305	159	667	1
306	160	380	1
307	160	388	1
308	160	672	1
309	161	163	1
310	161	389	1
311	161	390	1
312	162	167	1
313	162	391	1
314	162	392	1
315	163	393	1
316	163	394	1
317	164	165	1
318	164	395	1
319	164	396	1
320	165	397	1
321	165	398	1
322	166	168	1
323	166	399	1
324	166	400	1
325	167	401	1
326	167	402	1
327	168	403	1
328	168	404	1
329	169	173	1
330	169	179	1
331	169	405	1
332	170	174	1
333	170	177	1
334	170	406	1
335	171	175	1
336	171	178	1
337	171	407	1
338	172	176	1
339	172	180	1
340	172	408	1
341	173	181	1
342	173	409	1
343	173	410	1
344	174	182	1
345	174	411	1
346	174	412	1
347	175	183	1
348	175	413	1
349	175	414	1
350	176	184	1
351	176	415	1
352	176	416	1
353	181	185	1
354	181	417	1
355	181	418	1
356	182	187	1
357	182	419	1
358	182	420	1
359	183	186	1
360	183	421	1
361	183	422	1
362	184	188	1
363	184	423	1
364	184	424	1
365	189	193	1
366	189	429	1
367	189	430	1
368	190	194	1
369	190	431	1
370	190	432	1
371	191	195	1
372	191	433	1
373	191	434	1
374	192	196	1
375	192	435	1
376	192	436	1
377	197	201	2
378	197	202	1
379	198	203	2
380	198	204	1
381	199	205	2
382	199	206	1
383	200	207	2
384	200	208	1
385	201	209	1
386	201	441	1
387	202	210	2
388	202	442	1
389	203	211	1
390	203	443	1
391	204	212	2
392	204	444	1
393	205	213	1
394	205	445	1
395	206	214	2
396	206	446	1
397	207	215	1
398	207	447	1
399	208	216	2
400	208	448	1
401	209	217	2
402	209	449	1
403	210	217	1
404	210	450	1
405	211	218	2
406	211	451	1
407	212	218	1
408	212	452	1
409	213	219	2
410	213	453	1
411	214	219	1
412	214	454	1
413	215	220	2
414	215	455	1
415	216	220	1
416	216	456	1
417	217	221	1
418	218	222	1
419	219	223	1
420	220	224	1
421	225	229	2
422	225	230	1
423	226	231	2
424	226	232	1
425	227	233	2
426	227	234	1
427	228	235	2
428	228	236	1
429	229	237	1
430	229	461	1
431	230	238	2
432	230	462	1
433	231	239	1
434	231	463	1
435	232	240	2
436	232	464	1
437	233	241	1
438	233	465	1
439	234	242	2
440	234	466	1
441	235	243	1
442	235	467	1
443	236	244	2
444	236	468	1
445	237	245	2
446	237	469	1
447	238	245	1
448	238	470	1
449	239	246	2
450	239	471	1
451	240	246	1
452	240	472	1
453	241	247	2
454	241	473	1
455	242	247	1
456	242	474	1
457	243	248	2
458	243	475	1
459	244	248	1
460	244	476	1
461	245	337	1
462	246	338	1
463	247	339	1
464	248	340	1
465	249	262	1
466	249	281	1
467	249	478	1
468	250	261	1
469	250	282	1
470	250	477	1
471	251	264	1
472	251	283	1
473	251	480	1
474	252	263	1
475	252	284	1
476	252	479	1
477	253	265	1
478	253	285	1
479	253	481	1
480	254	266	1
481	254	286	1
482	254	482	1
483	255	267	1
484	255	287	1
485	255	483	1
486	256	268	1
487	256	288	1
488	256	484	1
489	257	269	1
490	257	289	1
491	257	485	1
492	258	270	1
493	258	290	1
494	258	486	1
495	259	271	1
496	259	291	1
497	259	487	1
498	260	272	1
499	260	292	1
500	260	488	1
501	261	489	1
502	261	490	1
503	262	491	1
504	262	492	1
505	263	493	1
506	263	494	1
507	264	495	1
508	264	496	1
509	265	497	1
510	265	498	1
511	266	499	1
512	266	500	1
513	267	501	1
514	267	502	1
515	268	503	1
516	268	504	1
517	269	505	1
518	269	506	1
519	270	507	1
520	270	508	1
521	271	509	1
522	271	510	1
523	272	511	1
524	272	512	1
525	273	278	1
526	273	293	1
527	273	514	1
528	274	277	1
529	274	294	1
530	274	513	1
531	275	279	1
532	275	295	1
533	275	515	1
534	276	280	1
535	276	296	1
536	276	516	1
537	277	517	1
538	277	518	1
539	278	519	1
540	278	520	1
541	279	521	1
542	279	522	1
543	280	523	1
544	280	524	1
545	281	297	1
546	281	525	1
547	282	298	1
548	282	526	1
549	283	299	1
550	283	527	1
551	284	300	1
552	284	528	1
553	285	301	1
554	285	529	1
555	286	302	1
556	286	530	1
557	287	303	1
558	287	531	1
559	288	304	1
560	288	532	1
561	289	305	1
562	289	533	1
563	290	306	1
564	290	534	1
565	291	307	1
566	291	535	1
567	292	308	1
568	292	536	1
569	293	309	1
570	293	537	1
571	294	310	1
572	294	538	1
573	295	312	1
574	295	540	1
575	296	311	1
576	296	539	1
577	297	321	1
578	297	541	1
579	298	322	1
580	298	542	1
581	299	323	1
582	299	543	1
583	300	324	1
584	300	544	1
585	301	325	1
586	301	545	1
587	302	326	1
588	302	546	1
589	303	327	1
590	303	547	1
591	304	328	1
592	304	548	1
593	305	329	1
594	305	549	1
595	306	330	1
596	306	550	1
597	307	331	1
598	307	551	1
599	308	332	1
600	308	552	1
601	309	333	1
602	309	553	1
603	310	334	1
604	310	554	1
605	311	335	1
606	311	555	1
607	312	336	1
608	312	556	1
609	313	341	1
610	314	342	1
611	315	343	1
612	316	345	1
613	317	344	1
614	318	346	1
615	319	347	1
616	320	348	1
617	321	360	1
618	321	557	1
619	322	359	1
620	322	558	1
621	323	362	1
622	323	559	1
623	324	361	1
624	324	560	1
625	325	365	1
626	325	561	1
627	326	366	1
628	326	562	1
629	327	367	1
630	327	563	1
631	328	368	1
632	328	564	1
633	329	369	1
634	329	565	1
635	330	370	1
636	330	566	1
637	331	371	1
638	331	567	1
639	332	372	1
640	332	568	1
641	333	377	1
642	333	569	1
643	334	376	1
644	334	570	1
645	335	379	1
646	335	571	1
647	336	378	1
648	336	572	1
649	341	349	2
650	341	354	1
651	342	349	1
652	342	353	2
653	343	350	1
654	343	355	2
655	344	350	2
656	344	356	1
657	345	351	1
658	345	357	2
659	346	351	2
660	346	358	1
661	347	352	2
662	347	364	1
663	348	352	1
664	348	363	2
665	353	373	1
666	354	373	2
667	355	374	1
668	356	374	2
669	357	375	1
670	358	375	2
671	359	591	1
672	359	592	1
673	360	589	1
674	360	590	1
675	361	595	1
676	361	596	1
677	362	593	1
678	362	594	1
679	363	380	1
680	364	380	2
681	365	597	1
682	365	598	1
683	366	599	1
684	366	600	1
685	367	601	1
686	367	602	1
687	368	603	1
688	368	604	1
689	369	605	1
690	369	606	1
691	370	607	1
692	370	608	1
693	371	609	1
694	371	610	1
695	372	611	1
696	372	612	1
697	376	623	1
698	376	624	1
699	377	621	1
700	377	622	1
701	378	627	1
702	378	628	1
703	379	625	1
704	379	626	1
705	381	385	1
706	381	657	1
707	381	658	1
708	382	386	1
709	382	659	1
710	382	660	1
711	383	387	1
712	383	661	1
713	383	662	1
714	384	388	1
715	384	663	1
716	384	664	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
