@<TRIPOS>MOLECULE
118984462
837 848 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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220	C68    -2.2066    91.4970     6.7249	C.3	1	noname	0.0883
221	C69    -4.5090   100.6237    21.7340	C.3	1	noname	-0.0528
222	C70    -0.7380    91.0809     7.0731	C.3	1	noname	-0.0195
223	C71    -3.8911    99.8710    22.9404	C.3	1	noname	-0.0439
224	C72     0.1047    90.6657     5.8321	C.3	1	noname	0.0354
225	C73    -2.3941   100.2227    23.1689	C.3	1	noname	0.0335
226	C74    -3.0604    93.4353     5.3746	C.2	1	noname	0.0477
227	C75    -6.3028    93.5222    14.6507	C.2	1	noname	-0.1456
228	C76     1.4619    90.1683     6.1421	C.2	1	noname	0.1348
229	C77    -2.5848    94.6615     4.7074	C.3	1	noname	0.0766
230	C78    -1.7489    99.5032    24.2827	C.2	1	noname	0.1348
231	C79    -3.2464    96.3780     3.0692	C.2	1	noname	0.0489
232	C80    -4.3220    97.0570     2.3104	C.3	1	noname	0.0976
233	C81    -4.9139    96.0752     1.2295	C.3	1	noname	0.0280
234	C82    -6.3819    99.2735     4.7413	C.3	1	noname	0.0901
235	C83    -5.2121    98.7578     3.9612	C.2	1	noname	0.0497
236	C84    -7.6146    99.6815     3.8345	C.3	1	noname	-0.0227
237	C85    -6.9551   101.6032     7.7627	C.3	1	noname	0.0880
238	C86    -8.4560   101.7841     7.3047	C.3	1	noname	-0.0265
239	C87    -6.4453   100.3317     7.0989	C.2	1	noname	0.0494
240	C88    -7.4224   101.0487     3.1318	C.3	1	noname	-0.0608
241	C89    -8.1372    98.6250     2.8094	C.3	1	noname	-0.0608
242	C90    -9.2266   103.1051     7.6381	C.3	1	noname	-0.0451
243	C91    -7.1055   102.9712    11.4040	C.3	1	noname	0.0918
244	C92    -6.7504   102.8673     9.9480	C.2	1	noname	0.0495
245	C93   -10.6539   103.1048     7.0135	C.3	1	noname	-0.0627
246	C94    -8.4712   104.3682     7.1626	C.3	1	noname	-0.0627
247	C95    -6.0481   100.0764    13.3889	C.3	1	noname	0.0880
248	C96     1.3333    77.3397    -1.2787	C.3	1	noname	-0.0201
249	C97     0.7567    75.8807    -1.0657	C.3	1	noname	0.0903
250	C98    -4.8818    99.7111    14.3383	C.3	1	noname	-0.0265
251	C99    -7.1662   104.4371    11.9448	C.3	1	noname	-0.0035
252	C100    -2.1852    74.8090    -1.8248	C.3	1	noname	0.0901
253	C101    -3.4398    99.9094    13.8254	C.3	1	noname	-0.0451
254	C102    -9.6655    93.4389    10.4187	C.3	1	noname	0.0901
255	C103    -2.9852    73.4571    -1.9911	C.3	1	noname	-0.0227
256	C104    -9.4614    92.6225     6.6632	C.3	1	noname	0.0880
257	C105    -6.3537   101.5192    13.3039	C.2	1	noname	0.0494
258	C106    -8.3073    92.8602     5.6406	C.3	1	noname	-0.0265
259	C107   -10.8850    93.1016    11.3532	C.3	1	noname	-0.0227
260	C108     1.9382    78.0023     0.0067	C.3	1	noname	-0.0516
261	C109    -3.2756    93.5672    -2.4176	C.3	1	noname	0.0280
262	C110    -8.6125    93.8211     4.4738	C.3	1	noname	-0.0451
263	C111     0.3045    75.1452    -2.2875	C.2	1	noname	0.0495
264	C112     2.2414    77.5771    -2.5106	C.3	1	noname	-0.0605
265	C113    -9.0900    92.8529     8.0790	C.2	1	noname	0.0494
266	C114    -2.5549    92.2641    -2.9126	C.3	1	noname	0.0976
267	C115    -7.5430   104.7196    13.3561	C.2	1	noname	-0.0660
268	C116    -7.3604    96.5514    10.2678	C.3	1	noname	0.0883
269	C117    -2.9816    75.9998    -2.2394	C.2	1	noname	0.0494
270	C118    -9.2375    94.8722    10.4035	C.2	1	noname	0.0494
271	C119    -2.4891    99.6604    14.9966	C.3	1	noname	-0.0627
272	C120    -3.0575    98.9238    12.7101	C.3	1	noname	-0.0627
273	C121    -3.4171    77.5599    -0.1850	C.3	1	noname	0.0883
274	C122    -9.1746    98.1218    13.2500	C.3	1	noname	0.0850
275	C123    -2.2589    72.2162    -1.4356	C.3	1	noname	-0.0608
276	C124    -3.4433    73.0444    -3.4078	C.3	1	noname	-0.0608
277	C125    -8.4696    99.4088    13.3972	C.2	1	noname	0.0492
278	C126   -10.6502    93.3791    12.8506	C.3	1	noname	-0.0608
279	C127   -11.3523    91.6341    11.2722	C.3	1	noname	-0.0608
280	C128    -5.8283    96.6541     9.9341	C.3	1	noname	-0.0195
281	C129     3.3418    77.6185     0.5299	C.3	1	noname	-0.0650
282	C130    -9.6845    93.2561     3.5678	C.3	1	noname	-0.0627
283	C131    -7.2590    94.1379     3.8285	C.3	1	noname	-0.0627
284	C132    -7.6292    97.0315    11.6475	C.2	1	noname	0.0492
285	C133    -3.2437    79.0996    -0.3446	C.3	1	noname	-0.0195
286	C134   -10.9589    89.2212     6.0023	C.3	1	noname	0.0933
287	C135   -10.9582    90.6488     6.3947	C.2	1	noname	0.0495
288	C136   -14.7190    77.5523     2.0673	C.3	1	noname	-0.0201
289	C137   -14.2459    77.7875     0.5752	C.3	1	noname	0.0903
290	C138    -8.7936   104.3465    13.9124	C.2	1	noname	-0.0475
291	C139    -6.6186   105.4122    14.1738	C.2	1	noname	-0.0475
292	C140    -2.4875    77.0309     0.8607	C.2	1	noname	0.0493
293	C141    -2.9445    91.0626    -2.1277	C.2	1	noname	0.0501
294	C142    -4.0029    83.9184    -6.6184	C.3	1	noname	0.0880
295	C143     1.3326    74.3920     0.9040	C.2	1	noname	0.0475
296	C144   -10.7029    98.1493    13.4136	C.3	1	noname	-0.0408
297	C145    -5.3053    84.6628    -7.0076	C.3	1	noname	-0.0265
298	C146    -5.2844    95.9008     8.6995	C.3	1	noname	0.0354
299	C147    -4.0350    75.5144     2.1752	C.3	1	noname	0.0882
300	C148    -9.2270    83.9872    -4.6901	C.3	1	noname	0.0880
301	C149    -9.0230    84.3531    -6.1899	C.3	1	noname	-0.0265
302	C150    -5.5515    84.8937    -8.5153	C.3	1	noname	-0.0451
303	C151   -11.4360    88.3813     7.2058	C.3	1	noname	0.0153
304	C152    -4.3923    79.9937     0.1704	C.3	1	noname	0.0354
305	C153   -14.8498    78.8250     2.9598	C.3	1	noname	-0.0516
306	C154   -10.1057    85.1170    -7.0025	C.3	1	noname	-0.0451
307	C155    -3.0030    83.1039    -3.0386	C.3	1	noname	0.0882
308	C156    -2.1454    90.9509    -5.0468	C.2	1	noname	0.0497
309	C157    -2.3746    90.7198    -6.5139	C.3	1	noname	0.0918
310	C158    -6.6401    83.1755    -2.0063	C.3	1	noname	0.0918
311	C159    -3.9871    74.8918     3.5980	C.3	1	noname	-0.0206
312	C160    -9.0888   104.6280    15.2631	C.2	1	noname	-0.0312
313	C161    -6.9210   105.7017    15.5180	C.2	1	noname	-0.0312
314	C162   -12.8827    78.3858     0.4382	C.2	1	noname	0.0497
315	C163   -16.0124    76.7130     2.2202	C.3	1	noname	-0.0605
316	C164     0.0585    74.4507     1.6427	C.3	1	noname	0.0674
317	C165    -2.7816    84.6364    -7.0496	C.2	1	noname	0.0493
318	C166    -8.0186    83.3856    -4.0734	C.2	1	noname	0.0494
319	C167    -0.7161    84.4213    -8.4287	C.3	1	noname	0.0883
320	C168    -3.0400    82.9877    -4.5187	C.2	1	noname	0.0493
321	C169    -2.0876    82.0882    -2.3083	C.3	1	noname	-0.0206
322	C170   -11.0293    79.1503    -1.0490	C.3	1	noname	0.0976
323	C171    -8.1526   105.3039    16.0671	C.2	1	noname	-0.0019
324	C172    -4.3010    74.4284     1.1935	C.2	1	noname	0.0495
325	C173    -6.8992    83.4668    -0.5217	C.3	1	noname	-0.0035
326	C174    -5.2955    83.6981    -2.3082	C.2	1	noname	0.0495
327	C175   -10.9299    87.0076     7.3535	C.2	1	noname	0.0142
328	C176    -6.6009    85.9857    -8.6982	C.3	1	noname	-0.0627
329	C177    -6.0538    83.6277    -9.2174	C.3	1	noname	-0.0627
330	C178   -12.1374    81.8411    -3.4966	C.3	1	noname	0.1109
331	C179    -3.8849    90.6866    -6.8902	C.3	1	noname	-0.0035
332	C180    -4.3272    89.0146    -1.9081	C.3	1	noname	0.1082
333	C181   -15.7254    80.0079     2.4863	C.3	1	noname	-0.0650
334	C182   -11.3946    84.3163    -7.2170	C.3	1	noname	-0.0627
335	C183   -10.4648    86.4977    -6.4395	C.3	1	noname	-0.0627
336	C184    -6.4903    75.2005     0.2356	C.3	1	noname	0.0976
337	C185    -3.7893    75.8923     4.7584	C.3	1	noname	0.0229
338	C186   -14.3276    74.8936    -1.9260	C.3	1	noname	0.1109
339	C187   -14.5374    76.2790    -1.4184	C.2	1	noname	0.0505
340	C188    -0.1659    83.2229    -9.2621	C.3	1	noname	-0.0195
341	C189   -11.4017    89.1797     3.5574	C.2	1	noname	0.0505
342	C190   -11.1084    82.9035    -3.4953	C.2	1	noname	0.0504
343	C191    -0.5461    88.2404    -8.9147	C.3	1	noname	0.0960
344	C192    -3.8997    96.2054     8.3220	C.2	1	noname	0.1348
345	C193   -12.1722    88.4870     2.4889	C.3	1	noname	0.1109
346	C194   -11.0933    79.9073    -2.3238	C.2	1	noname	0.0503
347	C195    -9.7940    78.2398    -0.8190	C.3	1	noname	0.0280
348	C196    -1.0589    82.6678    -1.3165	C.3	1	noname	0.0229
349	C197    -0.6633    85.7371    -9.1347	C.2	1	noname	0.0494
350	C198    -3.9474    81.0642     1.0707	C.2	1	noname	0.1348
351	C199    -1.5048    89.2656    -8.3972	C.2	1	noname	0.0496
352	C200    -8.1033    82.8672     0.0735	C.2	1	noname	-0.0660
353	C201    -7.0993    75.0368    -1.1773	C.3	1	noname	0.0280
354	C202   -10.9449    73.5602    -0.7070	C.3	1	noname	0.1135
355	C203   -13.5340    82.4929    -3.4462	C.3	1	noname	0.0675
356	C204    -5.7302    88.4794    -2.2782	C.3	1	noname	0.0463
357	C205    -4.7804    89.5706    -6.4908	C.2	1	noname	-0.0660
358	C206    -0.1426    81.8464    -8.5469	C.3	1	noname	0.0354
359	C207    -7.4989    74.8939     1.2663	C.2	1	noname	0.0499
360	C208   -10.0774    86.2630     6.5394	C.2	1	noname	-0.0702
361	C209    -9.6469    75.6123     2.2666	C.3	1	noname	0.0976
362	C210     0.9262    88.6839    -8.7231	C.3	1	noname	0.0452
363	C211   -14.6808    74.6969    -3.4206	C.3	1	noname	0.0675
364	C212   -12.4207    73.7376    -0.7870	C.2	1	noname	0.0511
365	C213   -12.1283    89.1669     1.0997	C.3	1	noname	0.0675
366	C214   -10.5561    72.0853    -1.0460	C.3	1	noname	0.0755
367	C215    -3.5817    75.3380     6.1096	C.2	1	noname	0.0325
368	C216    -3.3283    87.9369    -2.0752	C.2	1	noname	0.1442
369	C217   -10.6157    75.1421     1.2332	C.2	1	noname	0.0504
370	C218    -9.7711    81.3753     8.9959	C.3	1	noname	0.0880
371	C219    -0.5370    81.6460    -0.4033	C.2	1	noname	0.0325
372	C220    -8.5576    80.4098     8.9721	C.3	1	noname	-0.0265
373	C221    -8.0186    81.6088     0.7065	C.2	1	noname	-0.0475
374	C222    -9.3302    83.5670     0.0666	C.2	1	noname	-0.0475
375	C223   -10.0772    76.9178     2.9840	C.3	1	noname	0.0280
376	C224   -10.5944    85.0996     8.2763	C.2	1	noname	-0.0514
377	C225    -8.7979    78.9710     8.4697	C.3	1	noname	-0.0451
378	C226    -4.3653    88.4697    -5.7068	C.2	1	noname	-0.0475
379	C227    -6.1354    89.6310    -6.8969	C.2	1	noname	-0.0475
380	C228    -6.9665    89.2133    -1.9520	C.2	1	noname	0.0335
381	C229   -11.7028    86.1542     3.2199	C.2	1	noname	0.0483
382	C230    -9.0498    71.8427    -1.2671	C.3	1	noname	-0.0369
383	C231   -10.1455    81.9344     5.2187	C.3	1	noname	0.0976
384	C232     0.0176    80.6491    -9.3938	C.2	1	noname	0.1348
385	C233     1.5122    88.5019    -7.3875	C.2	1	noname	0.0335
386	C234   -10.4115    81.5166     7.6572	C.2	1	noname	0.0495
387	C235    -9.1439    81.0729     1.3516	C.2	1	noname	-0.0312
388	C236   -10.4593    83.0122     0.6919	C.2	1	noname	-0.0312
389	C237   -10.7057    85.0803     3.1222	C.3	1	noname	0.0766
390	C238   -12.5034    80.9718    11.6155	C.3	1	noname	0.0933
391	C239   -10.3561    81.7899     1.3744	C.2	1	noname	-0.0019
392	C240    -9.4510    80.7069     4.5793	C.3	1	noname	0.0280
393	C241    -7.5201    78.4779     7.8025	C.3	1	noname	-0.0627
394	C242    -9.1549    78.0232     9.6092	C.3	1	noname	-0.0627
395	C243   -11.5464    81.6709    10.7302	C.2	1	noname	0.0495
396	C244    -5.3010    87.5356    -5.2301	C.2	1	noname	-0.0312
397	C245    -7.0767    88.7101    -6.3961	C.2	1	noname	-0.0312
398	C246    -9.8395    83.1867     4.4726	C.2	1	noname	0.0489
399	C247   -13.5682    80.2437    10.7627	C.3	1	noname	0.0153
400	C248    -6.6640    87.6901    -5.5245	C.2	1	noname	-0.0019
401	C249   -13.3446    83.4298    14.3894	C.3	1	noname	0.0882
402	C250   -12.6757    82.3023    13.6970	C.2	1	noname	0.0494
403	C251   -14.7253    82.9405    14.8822	C.3	1	noname	-0.0206
404	C252   -14.4376    79.2611    11.4374	C.2	1	noname	0.0142
405	C253   -10.6557    84.7991    16.7090	C.3	1	noname	0.0960
406	C254    -9.9156    81.3124    18.1168	C.3	1	noname	0.0901
407	C255   -10.6731    80.1731    18.8905	C.3	1	noname	-0.0227
408	C256   -11.3821    84.5608    15.4310	C.2	1	noname	0.0495
409	C257   -15.6442    84.0378    15.4593	C.3	1	noname	0.0229
410	C258   -10.7093    82.5361    17.7878	C.2	1	noname	0.0496
411	C259    -9.4966    85.8299    16.6351	C.3	1	noname	0.0452
412	C260   -14.4051    78.8032    12.7543	C.2	1	noname	-0.0702
413	C261    -9.8443    78.8905    19.1125	C.3	1	noname	-0.0608
414	C262   -11.1671    80.5830    20.2920	C.3	1	noname	-0.0608
415	C263   -16.9676    83.6016    15.9380	C.2	1	noname	0.0325
416	C264    -8.2181    80.9565    16.3124	C.2	1	noname	0.0492
417	C265    -7.9164    80.2952    15.0131	C.3	1	noname	0.0829
418	C266   -16.0303    77.8241    11.7110	C.2	1	noname	-0.0514
419	C267    -9.8145    87.2403    16.3398	C.2	1	noname	0.0335
420	C268    -6.4802    80.5446    14.4875	C.3	1	noname	-0.0041
421	C269    -6.0938    79.8970    13.2117	C.2	1	noname	-0.0541
422	C270    -5.9383    78.4942    13.1129	C.2	1	noname	-0.0567
423	C271    -5.8205    80.7045    12.0829	C.2	1	noname	-0.0567
424	C272    -5.4818    77.9147    11.9138	C.2	1	noname	-0.0604
425	C273    -5.3625    80.1208    10.8873	C.2	1	noname	-0.0604
426	C274    -5.1920    78.7268    10.8013	C.2	1	noname	-0.0616
427	H1   -13.3417    96.6030     4.9249	H	1	noname	0.0568
428	H2   -15.0809    95.0874     4.8317	H	1	noname	0.0288
429	H3   -14.4006    94.5097     6.3630	H	1	noname	0.0288
430	H4   -14.6505    92.7197     4.4287	H	1	noname	0.0280
431	H5   -13.0047    92.8600     5.0978	H	1	noname	0.0280
432	H6   -12.6178    93.2770     2.7187	H	1	noname	0.0436
433	H7   -14.0973    94.2601     2.6037	H	1	noname	0.0436
434	H8   -10.9212    96.7544     1.0529	H	1	noname	0.0594
435	H9   -13.2531    94.8918     0.6198	H	1	noname	0.0619
436	H10   -10.5140    96.4247     5.0020	H	1	noname	0.1319
437	H11   -10.1337    96.1617     7.8997	H	1	noname	0.0578
438	H12   -10.8562    93.8811     0.8709	H	1	noname	0.1319
439	H13    -9.2354    98.4299     7.9322	H	1	noname	0.0288
440	H14    -9.4078    98.6171     6.2322	H	1	noname	0.0288
441	H15   -11.7740    94.9287    -1.3639	H	1	noname	0.0257
442	H16   -11.8550    96.7098    -1.3707	H	1	noname	0.0257
443	H17   -13.3150    95.7374    -1.6548	H	1	noname	0.0257
444	H18   -11.2120    99.8247     7.1037	H	1	noname	0.0268
445	H19   -11.9143    98.3977     6.4685	H	1	noname	0.0268
446	H20    -8.9709    93.1643    -0.2450	H	1	noname	0.0569
447	H21   -12.9861    97.6982     0.5631	H	1	noname	0.2105
448	H22   -11.6893    97.4468     8.9735	H	1	noname	0.0279
449	H23   -12.9984    98.5035     8.5402	H	1	noname	0.0279
450	H24    -6.8502    95.0931    -1.1635	H	1	noname	0.0337
451	H25    -8.4760    95.6005    -1.4595	H	1	noname	0.0337
452	H26    -6.3260    93.9112     0.7162	H	1	noname	0.1319
453	H27   -10.3485    99.6160     9.6504	H	1	noname	0.0432
454	H28   -11.6293    99.0154    10.6781	H	1	noname	0.0432
455	H29    -6.9861    96.4011     5.3299	H	1	noname	0.2213
456	H30    -5.1124    92.3016     2.1440	H	1	noname	0.0569
457	H31   -12.0042   101.0468     8.5588	H	1	noname	0.1309
458	H32    -5.9648    93.2305    -2.4869	H	1	noname	0.0626
459	H33   -10.0543    94.1210    -2.7954	H	1	noname	0.0626
460	H34    -4.2736    90.2625     1.4533	H	1	noname	0.0337
461	H35    -5.3290    90.7435     0.1959	H	1	noname	0.0337
462	H36    -6.9260    90.8623     3.8027	H	1	noname	0.1319
463	H37    -6.0742    91.9613    -4.5336	H	1	noname	0.0650
464	H38   -10.1836    92.8628    -4.8414	H	1	noname	0.0650
465	H39   -12.3806   100.4292    12.1326	H	1	noname	0.0361
466	H40   -13.2443   101.9229    12.2851	H	1	noname	0.0361
467	H41   -14.5817    99.4877    10.9685	H	1	noname	0.0293
468	H42   -15.3201   100.9554    11.5595	H	1	noname	0.0293
469	H43    -6.1182    88.4396     4.3745	H	1	noname	0.0569
470	H44   -14.1439   100.0719    13.8884	H	1	noname	0.0578
471	H45    -7.9681    89.4484     1.7254	H	1	noname	0.0625
472	H46    -4.0926    87.9275     1.1834	H	1	noname	0.0625
473	H47    -3.3298    88.4373     5.6390	H	1	noname	0.0337
474	H48    -3.7926    87.5987     4.1713	H	1	noname	0.0337
475	H49    -5.2953    90.1545     6.5796	H	1	noname	0.1318
476	H50    -9.1251    91.7057    -6.3385	H	1	noname	0.2181
477	H51    -8.8874    87.3214     1.5504	H	1	noname	0.0622
478	H52    -5.0277    85.7066     1.0684	H	1	noname	0.0622
479	H53   -16.6355    98.8201    13.3265	H	1	noname	0.1318
480	H54    -7.4365    85.3965     1.3204	H	1	noname	0.0622
481	H55   -17.1723   102.2332    15.4050	H	1	noname	0.0361
482	H56   -16.9971   102.8327    13.5560	H	1	noname	0.0361
483	H57    -5.8348    85.9135     4.4219	H	1	noname	0.0625
484	H58    -3.3957    87.1208     7.6566	H	1	noname	0.0625
485	H59    -7.1403    88.7639     8.9567	H	1	noname	0.0529
486	H60    -8.2982    89.7976     8.1249	H	1	noname	0.0529
487	H61   -14.4943   102.4204    14.0354	H	1	noname	0.0271
488	H62   -15.1615   103.5183    15.2015	H	1	noname	0.0271
489	H63   -13.4730    96.5430    12.3358	H	1	noname	0.2213
490	H64   -14.7239   100.6047    15.9874	H	1	noname	0.0267
491	H65   -15.0379   101.9924    17.0108	H	1	noname	0.0267
492	H66    -6.5807    84.0196     5.7184	H	1	noname	0.0622
493	H67    -4.1557    85.2187     8.9268	H	1	noname	0.0622
494	H68   -12.5197   101.6417    15.2689	H	1	noname	0.0266
495	H69   -12.8589   103.0139    16.3288	H	1	noname	0.0266
496	H70    -5.7674    83.6727     7.9716	H	1	noname	0.0622
497	H71    -6.5476    91.3935     7.7677	H	1	noname	0.1316
498	H72   -12.3925   100.1142    17.1872	H	1	noname	0.0266
499	H73   -12.8681   101.4153    18.2949	H	1	noname	0.0266
500	H74   -10.3008   101.3632    16.6082	H	1	noname	0.0266
501	H75   -10.7873   102.6867    17.6844	H	1	noname	0.0266
502	H76    -5.5641    93.0231     9.4092	H	1	noname	0.0566
503	H77   -10.2541    99.8007    18.5621	H	1	noname	0.0266
504	H78   -10.7527   101.1263    19.6331	H	1	noname	0.0266
505	H79    -3.2983    91.6064    10.8572	H	1	noname	0.0288
506	H80    -3.3823    93.3415    10.6136	H	1	noname	0.0288
507	H81    -8.1584   101.0455    18.0027	H	1	noname	0.0266
508	H82    -8.6614   102.3722    19.0705	H	1	noname	0.0266
509	H83    -8.1592    99.4776    19.9567	H	1	noname	0.0266
510	H84    -8.6610   100.8045    21.0210	H	1	noname	0.0266
511	H85    -4.0588    93.1262     7.7948	H	1	noname	0.1318
512	H86    -4.1075    92.3223    12.9013	H	1	noname	0.0280
513	H87    -5.5946    91.8445    12.1025	H	1	noname	0.0280
514	H88    -6.0574   100.7173    19.4014	H	1	noname	0.0266
515	H89    -6.5601   102.0466    20.4638	H	1	noname	0.0266
516	H90    -4.6015    94.6669    12.6957	H	1	noname	0.0432
517	H91    -5.8264    94.3372    11.4842	H	1	noname	0.0432
518	H92    -6.0563    99.1563    21.3506	H	1	noname	0.0266
519	H93    -6.5635   100.4794    22.4177	H	1	noname	0.0266
520	H94    -2.5709    90.8025     5.9703	H	1	noname	0.0566
521	H95    -3.9436   100.3815    20.8287	H	1	noname	0.0267
522	H96    -4.4394   101.7025    21.9056	H	1	noname	0.0267
523	H97    -0.7390    90.2253     7.7521	H	1	noname	0.0293
524	H98    -0.2426    91.9054     7.5954	H	1	noname	0.0293
525	H99    -3.9971    98.7923    22.7754	H	1	noname	0.0272
526	H100    -4.4447   100.1381    23.8440	H	1	noname	0.0272
527	H101    -7.3007    94.2454    13.1014	H	1	noname	0.1306
528	H102    -1.2855    93.2683     6.2236	H	1	noname	0.1318
529	H103     0.1975    91.5160     5.1530	H	1	noname	0.0373
530	H104    -0.4176    89.8644     5.3030	H	1	noname	0.0373
531	H105    -1.8385   100.0329    22.2482	H	1	noname	0.0372
532	H106    -2.3159   101.2913    23.3897	H	1	noname	0.0372
533	H107    -1.7278    94.3864     4.0882	H	1	noname	0.0529
534	H108    -2.2531    95.3622     5.4751	H	1	noname	0.0529
535	H109    -8.2225    93.7812    15.0517	H	1	noname	0.1267
536	H110    -7.3136    93.1517    16.3197	H	1	noname	0.1267
537	H111    -5.1787    92.8893    16.0715	H	1	noname	0.1898
538	H112    -4.4597    94.9983     3.9160	H	1	noname	0.1316
539	H113     3.1315    89.3367     5.3497	H	1	noname	0.2213
540	H114     0.0323    99.2066    25.2272	H	1	noname	0.2213
541	H115    -3.9161    97.9128     1.7646	H	1	noname	0.0575
542	H116    -5.0892    95.0897     1.6637	H	1	noname	0.0410
543	H117    -5.8832    96.4645     0.9091	H	1	noname	0.0410
544	H118    -6.1061    97.0562     3.3568	H	1	noname	0.1319
545	H119    -6.6738    98.4621     5.3433	H	1	noname	0.0569
546	H120    -8.4463    99.8089     4.5325	H	1	noname	0.0318
547	H121    -5.9885   101.1910     5.3475	H	1	noname	0.1319
548	H122    -6.3361   102.4107     7.3572	H	1	noname	0.0566
549	H123    -8.5266   101.6360     6.2265	H	1	noname	0.0290
550	H124    -9.0227   100.9730     7.7700	H	1	noname	0.0290
551	H125    -9.1635    98.8902     2.4978	H	1	noname	0.0234
552	H126    -7.4912    98.5648     1.9203	H	1	noname	0.0234
553	H127    -8.1729    97.6401     3.2730	H	1	noname	0.0234
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555	H129    -6.5686   101.0080     2.4612	H	1	noname	0.0234
556	H130    -7.2690   101.8431     3.8626	H	1	noname	0.0234
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558	H132    -7.1787   100.8974     9.7280	H	1	noname	0.1318
559	H133    -8.1193   102.5763    11.4960	H	1	noname	0.0569
560	H134   -11.2408   103.9448     7.3930	H	1	noname	0.0233
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562	H136   -10.6143   103.1771     5.9213	H	1	noname	0.0233
563	H137   -11.1901   102.2015     7.2618	H	1	noname	0.0233
564	H138    -7.4617   104.3641     7.5736	H	1	noname	0.0233
565	H139    -8.3852   104.3456     6.0762	H	1	noname	0.0233
566	H140    -5.8080    99.6990    12.3867	H	1	noname	0.0566
567	H141     0.4593    77.9560    -1.5147	H	1	noname	0.0321
568	H142    -0.1412    76.0502    -0.5008	H	1	noname	0.0569
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580	H154    -7.4592    93.2534     6.2011	H	1	noname	0.0290
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585	H159    -4.3018    93.5303    -2.7832	H	1	noname	0.0410
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590	H164     3.1151    76.9285    -2.4484	H	1	noname	0.0234
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631	H205    -3.2415    79.3326    -1.4095	H	1	noname	0.0293
632	H206    -9.3809    97.9259    11.1993	H	1	noname	0.1318
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645	H219    -5.3913    94.8270     8.8528	H	1	noname	0.0373
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653	H227   -12.5252    88.3392     7.2054	H	1	noname	0.0354
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655	H229    -4.8820    80.4284    -0.7010	H	1	noname	0.0373
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658	H232   -15.2630    78.4795     3.9073	H	1	noname	0.0267
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669	H243   -16.2543    76.6075     3.2777	H	1	noname	0.0234
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675	H249    -0.0883    84.4942    -7.5342	H	1	noname	0.0566
676	H250    -1.5744    81.4679    -3.0431	H	1	noname	0.0292
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678	H252   -10.8976    79.9183    -0.3033	H	1	noname	0.0575
679	H253    -4.5008    90.5441    -3.2943	H	1	noname	0.1319
680	H254   -10.3219    82.3296    -5.2443	H	1	noname	0.1318
681	H255    -8.1012    84.5579    -2.4509	H	1	noname	0.1319
682	H256    -4.5563    81.8598    -2.5416	H	1	noname	0.1318
683	H257    -6.9120    84.5446    -0.3597	H	1	noname	0.0337
684	H258    -6.0597    82.9866    -0.0189	H	1	noname	0.0337
685	H259   -12.7809    78.1835    -1.5597	H	1	noname	0.1319
686	H260    -2.4686    83.3444    -8.5196	H	1	noname	0.1318
687	H261    -6.2130    83.8377   -10.2751	H	1	noname	0.0233
688	H262    -6.7744    86.1484    -9.7619	H	1	noname	0.0233
689	H263    -6.2466    86.9102    -8.2422	H	1	noname	0.0233
690	H264    -7.5316    85.6787    -8.2211	H	1	noname	0.0233
691	H265    -5.3129    82.8353    -9.1117	H	1	noname	0.0233
692	H266    -6.9930    83.3096    -8.7648	H	1	noname	0.0233
693	H267   -12.0906    81.2641    -4.4252	H	1	noname	0.0590
694	H268    -3.9979    90.8791    -7.9571	H	1	noname	0.0337
695	H269    -4.3471    91.5718    -6.4533	H	1	noname	0.0337
696	H270    -4.3263    89.1895    -0.8562	H	1	noname	0.0583
697	H271   -15.6975    80.8020     3.2324	H	1	noname	0.0230
698	H272   -15.3431    80.3864     1.5384	H	1	noname	0.0230
699	H273   -16.7531    79.6692     2.3544	H	1	noname	0.0230
700	H274   -11.2268    86.9593    -7.0675	H	1	noname	0.0233
701	H275   -12.1023    84.9140    -7.7915	H	1	noname	0.0233
702	H276   -11.1667    83.4000    -7.7615	H	1	noname	0.0233
703	H277   -11.8315    84.0654    -6.2504	H	1	noname	0.0233
704	H278    -9.5750    87.1272    -6.4258	H	1	noname	0.0233
705	H279   -10.8478    86.3879    -5.4249	H	1	noname	0.0233
706	H280    -6.1937    76.2332     0.3599	H	1	noname	0.0575
707	H281    -2.9735    76.5733     4.5158	H	1	noname	0.0361
708	H282    -4.6309    76.5839     4.7960	H	1	noname	0.0361
709	H283   -14.9778    74.2237    -1.3560	H	1	noname	0.0590
710	H284     0.8342    83.4611    -9.6244	H	1	noname	0.0293
711	H285    -0.7741    83.1140   -10.1601	H	1	noname	0.0293
712	H286    -1.1725    89.0192    -6.4341	H	1	noname	0.1319
713	H287    -0.6684    88.2170   -10.0018	H	1	noname	0.0571
714	H288    -5.3519    73.5605    -0.2547	H	1	noname	0.1319
715	H289   -13.2241    88.3985     2.7788	H	1	noname	0.0590
716	H290    -9.8152    77.8488     0.1982	H	1	noname	0.0410
717	H291    -8.8980    78.8547    -0.9043	H	1	noname	0.0410
718	H292    -1.5215    83.4685    -0.7397	H	1	noname	0.0361
719	H293    -0.2561    83.0626    -1.9392	H	1	noname	0.0361
720	H294   -12.4451    81.1738    -1.5675	H	1	noname	0.1319
721	H295    -0.8444    86.8167    -7.4491	H	1	noname	0.1319
722	H296    -6.4432    74.4145    -1.7858	H	1	noname	0.0410
723	H297    -8.0331    74.4924    -1.0374	H	1	noname	0.0410
724	H298   -10.4983    74.1944    -1.4782	H	1	noname	0.0593
725	H299   -13.6427    83.1842    -4.2819	H	1	noname	0.0585
726	H300   -13.6134    83.0659    -2.5224	H	1	noname	0.0585
727	H301   -12.3122    74.9928    -2.3432	H	1	noname	0.1319
728	H302     0.6269    81.8511    -7.7749	H	1	noname	0.0373
729	H303    -1.0799    81.6957    -8.0113	H	1	noname	0.0373
730	H304    -5.7442    88.1935    -3.3300	H	1	noname	0.0383
731	H305    -5.8549    87.5221    -1.7721	H	1	noname	0.0383
732	H306    -9.6606    86.5385     5.6489	H	1	noname	0.0808
733	H307    -1.4303    73.2095     2.2964	H	1	noname	0.1188
734	H308     0.0849    72.5097     2.2878	H	1	noname	0.1188
735	H309    -9.5284    74.8414     3.0328	H	1	noname	0.0575
736	H310     1.5537    88.1908    -9.4655	H	1	noname	0.0382
737	H311     0.8998    89.7519    -8.9395	H	1	noname	0.0382
738	H312   -15.7080    75.0164    -3.5963	H	1	noname	0.0585
739	H313   -14.0301    75.3394    -4.0139	H	1	noname	0.0585
740	H314   -12.6740    88.5573     0.3794	H	1	noname	0.0585
741	H315   -11.0873    89.2458     0.7864	H	1	noname	0.0585
742	H316   -11.0542    71.7850    -1.9714	H	1	noname	0.0619
743	H317    -8.3098    76.7182     1.1513	H	1	noname	0.1319
744	H318   -10.9635    87.0680     1.6033	H	1	noname	0.1319
745	H319    -9.6264    73.4493     0.8734	H	1	noname	0.1319
746	H320    -9.3244   105.2307    17.5838	H	1	noname	0.2181
747	H321    -9.3566    82.3408     9.2927	H	1	noname	0.0566
748	H322    -9.3199    84.3666     6.8332	H	1	noname	0.1531
749	H323    -7.7446    80.8619     8.4040	H	1	noname	0.0290
750	H324    -8.1913    80.3461     9.9967	H	1	noname	0.0290
751	H325    -7.1467    81.0730     0.7162	H	1	noname	0.0626
752	H326    -9.4170    84.4862    -0.3780	H	1	noname	0.0626
753	H327   -10.3373    77.6719     2.2411	H	1	noname	0.0410
754	H328   -11.0035    76.7210     3.5238	H	1	noname	0.0410
755	H329   -10.6327    84.3356     8.9342	H	1	noname	0.1013
756	H330    -9.5801    78.9795     7.7106	H	1	noname	0.0298
757	H331    -1.9357    95.8472     8.6156	H	1	noname	0.2213
758	H332    -3.3867    88.3413    -5.4575	H	1	noname	0.0626
759	H333    -6.4638    90.3549    -7.5453	H	1	noname	0.0626
760	H334    -3.9285    83.0759     1.3662	H	1	noname	0.2213
761	H335    -8.6865    72.5052    -2.0527	H	1	noname	0.0257
762	H336    -8.5096    72.0455    -0.3423	H	1	noname	0.0257
763	H337    -8.8882    70.8060    -1.5624	H	1	noname	0.0257
764	H338   -11.2248    81.7686     5.1538	H	1	noname	0.0575
765	H339   -10.7934    79.9499    10.0961	H	1	noname	0.1318
766	H340    -9.0776    80.1548     1.7951	H	1	noname	0.0650
767	H341   -11.3520    83.5097     0.6690	H	1	noname	0.0650
768	H342   -10.6402    84.7383     2.0893	H	1	noname	0.0529
769	H343    -9.7018    85.4917     3.2269	H	1	noname	0.0529
770	H344   -11.9413    80.2259    12.1821	H	1	noname	0.0570
771	H345   -15.4477    81.9972    -3.4492	H	1	noname	0.2101
772	H346    -8.8134    82.3353     6.7507	H	1	noname	0.1319
773	H347    -9.5577    80.7526     3.4955	H	1	noname	0.0410
774	H348    -8.3752    80.7722     4.7423	H	1	noname	0.0410
775	H349    -9.3158    77.0212     9.2115	H	1	noname	0.0233
776	H350   -10.0648    78.3702    10.0989	H	1	noname	0.0233
777	H351    -7.6688    77.4609     7.4397	H	1	noname	0.0233
778	H352    -7.2726    79.1299     6.9649	H	1	noname	0.0233
779	H353    -6.7046    78.4900     8.5257	H	1	noname	0.0233
780	H354    -8.3394    78.0005    10.3320	H	1	noname	0.0233
781	H355   -14.7579    73.2821    -4.8023	H	1	noname	0.2101
782	H356    -3.7165    73.3506     5.7441	H	1	noname	0.1271
783	H357    -3.4255    73.7537     7.3459	H	1	noname	0.1271
784	H358    -4.9922    86.7615    -4.6376	H	1	noname	0.0650
785	H359    -8.0611    88.7935    -6.6595	H	1	noname	0.0650
786	H360   -12.6288    90.8696     0.2251	H	1	noname	0.2101
787	H361   -10.5477    71.4518     0.8288	H	1	noname	0.2105
788	H362     0.1660    80.3818    -1.8061	H	1	noname	0.1271
789	H363     0.3954    79.8834    -0.2201	H	1	noname	0.1271
790	H364   -11.7734    83.6905     4.2069	H	1	noname	0.1316
791	H365   -14.1844    80.9792    10.2454	H	1	noname	0.0354
792	H366   -13.0743    79.6850     9.9677	H	1	noname	0.0354
793	H367    -2.3584    86.4234    -1.1114	H	1	noname	0.2213
794	H368   -13.4817    84.2439    13.6694	H	1	noname	0.0566
795	H369   -13.9795    82.3025    12.1782	H	1	noname	0.1319
796	H370     0.7476    90.1704    -6.5605	H	1	noname	0.1271
797	H371     1.7090    89.2548    -5.5336	H	1	noname	0.1271
798	H372    -6.2301    91.0678    -1.6717	H	1	noname	0.1271
799	H373    -7.8881    90.9338    -1.4773	H	1	noname	0.1271
800	H374   -14.5883    82.1539    15.6242	H	1	noname	0.0292
801	H375   -15.2689    82.5091    14.0417	H	1	noname	0.0292
802	H376     0.0732    78.6177    -9.3267	H	1	noname	0.2213
803	H377   -12.9140    83.7103    16.3859	H	1	noname	0.1318
804	H378   -11.3609    85.1626    17.4626	H	1	noname	0.0571
805	H379    -9.0630    81.6297    18.7322	H	1	noname	0.0569
806	H380   -11.5343    79.8858    18.2872	H	1	noname	0.0318
807	H381   -15.1236    84.5639    16.2594	H	1	noname	0.0361
808	H382   -15.8013    84.8225    14.7192	H	1	noname	0.0361
809	H383   -12.1799    81.9323     1.9436	H	1	noname	0.2181
810	H384    -9.1316    83.4262    16.9542	H	1	noname	0.1319
811	H385    -8.7383    85.4746    15.9373	H	1	noname	0.0382
812	H386    -8.9878    85.8584    17.5986	H	1	noname	0.0382
813	H387    -7.1022    86.2258    -4.3714	H	1	noname	0.2181
814	H388   -13.7506    79.0768    13.4895	H	1	noname	0.0808
815	H389   -10.1099    80.2996    16.3252	H	1	noname	0.1319
816	H390   -11.6787    79.7406    20.7577	H	1	noname	0.0234
817	H391   -10.4448    78.1590    19.6533	H	1	noname	0.0234
818	H392    -8.9533    79.1297    19.6930	H	1	noname	0.0234
819	H393    -9.5495    78.4769    18.1481	H	1	noname	0.0234
820	H394   -11.8565    81.4226    20.2032	H	1	noname	0.0234
821	H395   -10.3155    80.8754    20.9063	H	1	noname	0.0234
822	H396   -15.6262    77.4378    13.6993	H	1	noname	0.1531
823	H397    -8.0559    79.2199    15.1460	H	1	noname	0.0563
824	H398   -16.8334    77.2222    11.5231	H	1	noname	0.1013
825	H399    -6.2993    81.6173    14.4199	H	1	noname	0.0337
826	H400    -5.8502    80.1299    15.2744	H	1	noname	0.0337
827	H401   -16.9095    81.6420    15.4424	H	1	noname	0.1271
828	H402   -18.3278    82.1336    16.1908	H	1	noname	0.1271
829	H403    -8.6585    80.3110    13.1037	H	1	noname	0.1191
830	H404    -9.8167    80.5311    14.2851	H	1	noname	0.1191
831	H405   -11.8208    87.1044    16.1672	H	1	noname	0.1271
832	H406   -11.1993    88.6457    15.9395	H	1	noname	0.1271
833	H407    -6.1410    77.8786    13.9078	H	1	noname	0.0625
834	H408    -5.9410    81.7235    12.1143	H	1	noname	0.0625
835	H409    -5.3502    76.9034    11.8495	H	1	noname	0.0622
836	H410    -5.1452    80.7101    10.0807	H	1	noname	0.0622
837	H411    -4.8562    78.3034     9.9343	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	233	1
3	2	261	1
4	3	4	1
5	3	347	1
6	4	353	1
7	5	6	1
8	5	375	1
9	6	392	1
10	7	157	2
11	8	158	2
12	160	9	1
13	9	447	1
14	10	165	2
15	11	167	1
16	11	455	1
17	12	167	2
18	13	172	2
19	14	177	2
20	15	182	1
21	15	476	1
22	16	183	2
23	17	193	1
24	17	489	1
25	18	193	2
26	19	195	2
27	20	196	2
28	21	209	2
29	22	217	2
30	23	226	2
31	24	228	1
32	24	539	1
33	25	228	2
34	26	230	1
35	26	540	1
36	27	230	2
37	28	231	2
38	29	235	2
39	30	239	2
40	31	244	2
41	32	257	2
42	33	263	2
43	34	265	2
44	35	269	2
45	36	270	2
46	37	277	2
47	38	284	2
48	39	287	2
49	40	292	2
50	41	293	2
51	42	295	2
52	43	308	2
53	44	323	1
54	44	746	1
55	45	314	2
56	46	317	2
57	47	318	2
58	48	320	2
59	49	324	2
60	50	326	2
61	51	344	1
62	51	757	1
63	52	350	1
64	52	760	1
65	53	339	2
66	54	341	2
67	55	342	2
68	56	344	2
69	57	346	2
70	58	349	2
71	59	350	2
72	60	355	1
73	60	771	1
74	61	351	2
75	62	363	1
76	62	781	1
77	63	365	1
78	63	786	1
79	64	359	2
80	366	65	1
81	65	787	1
82	66	364	2
83	67	368	1
84	67	793	1
85	68	367	2
86	69	368	2
87	70	369	2
88	71	371	2
89	72	384	1
90	72	802	1
91	73	381	2
92	74	380	2
93	75	384	2
94	76	385	2
95	77	386	2
96	78	391	1
97	78	809	1
98	79	395	2
99	80	400	1
100	80	813	1
101	81	398	2
102	82	402	2
103	83	408	2
104	84	410	2
105	85	415	2
106	86	416	2
107	87	419	2
108	88	153	1
109	88	156	1
110	88	157	1
111	89	158	1
112	161	89	1
113	89	436	1
114	159	90	1
115	90	165	1
116	90	438	1
117	166	91	1
118	91	172	1
119	91	452	1
120	92	170	1
121	92	177	1
122	92	457	1
123	173	93	1
124	93	183	1
125	93	462	1
126	185	94	1
127	94	195	1
128	94	475	1
129	186	95	1
130	95	196	1
131	95	479	1
132	96	200	1
133	96	209	1
134	96	497	1
135	210	97	1
136	97	217	1
137	97	511	1
138	98	218	1
139	98	227	1
140	98	527	1
141	220	99	1
142	99	226	1
143	99	528	1
144	100	227	1
145	100	535	1
146	100	536	1
147	101	227	2
148	101	537	1
149	102	229	1
150	102	231	1
151	102	538	1
152	232	103	1
153	103	235	1
154	103	544	1
155	234	104	1
156	104	239	1
157	104	547	1
158	237	105	1
159	105	244	1
160	105	558	1
161	243	106	1
162	106	257	1
163	106	575	1
164	252	107	1
165	107	263	1
166	107	587	1
167	247	108	1
168	108	277	1
169	108	588	1
170	254	109	1
171	109	265	1
172	109	592	1
173	249	110	1
174	110	295	1
175	110	595	1
176	256	111	1
177	111	287	1
178	111	610	1
179	268	112	1
180	112	270	1
181	112	611	1
182	113	269	1
183	273	113	1
184	113	618	1
185	274	114	1
186	114	284	1
187	114	632	1
188	266	115	1
189	115	308	1
190	115	636	1
191	116	292	1
192	299	116	1
193	116	656	1
194	286	117	1
195	117	341	1
196	117	665	1
197	294	118	1
198	118	320	1
199	118	666	1
200	119	289	1
201	119	339	1
202	119	672	1
203	120	293	1
204	332	120	1
205	120	679	1
206	300	121	1
207	121	342	1
208	121	680	1
209	310	122	1
210	122	318	1
211	122	681	1
212	307	123	1
213	123	326	1
214	123	682	1
215	124	314	1
216	124	322	1
217	124	685	1
218	125	317	1
219	319	125	1
220	125	686	1
221	309	126	1
222	126	351	1
223	126	712	1
224	127	324	1
225	336	127	1
226	127	714	1
227	330	128	1
228	128	346	1
229	128	720	1
230	343	129	1
231	129	349	1
232	129	721	1
233	130	338	1
234	130	364	1
235	130	727	1
236	131	316	1
237	131	733	1
238	131	734	1
239	132	359	1
240	132	361	1
241	132	743	1
242	133	327	1
243	133	376	2
244	345	134	1
245	134	381	1
246	134	744	1
247	135	354	1
248	135	369	1
249	135	745	1
250	136	360	1
251	136	376	1
252	136	748	1
253	370	137	1
254	137	395	1
255	137	765	1
256	383	138	1
257	138	386	1
258	138	772	1
259	139	367	1
260	139	782	1
261	139	783	1
262	140	371	1
263	140	788	1
264	140	789	1
265	141	389	1
266	141	398	1
267	141	790	1
268	390	142	1
269	142	402	1
270	142	795	1
271	143	380	1
272	143	798	1
273	143	799	1
274	144	385	1
275	144	796	1
276	144	797	1
277	401	145	1
278	145	408	1
279	145	803	1
280	405	146	1
281	146	410	1
282	146	810	1
283	406	147	1
284	147	416	1
285	147	815	1
286	148	404	1
287	148	418	2
288	149	412	1
289	149	418	1
290	149	822	1
291	150	415	1
292	150	827	1
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294	417	151	1
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299	152	832	1
300	153	154	1
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302	153	427	1
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305	154	429	1
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311	157	159	1
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324	163	443	1
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395	201	487	1
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400	203	206	2
401	203	492	1
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403	204	493	1
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456	225	531	1
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462	232	233	1
463	232	541	1
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483	241	553	1
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503	249	263	1
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506	250	569	1
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512	252	269	1
513	252	573	1
514	253	271	1
515	253	272	1
516	253	574	1
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527	258	579	1
528	258	580	1
529	259	278	1
530	259	279	1
531	259	581	1
532	260	281	1
533	260	582	1
534	260	583	1
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536	261	584	1
537	261	585	1
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539	262	283	1
540	262	586	1
541	264	589	1
542	264	590	1
543	264	591	1
544	266	293	1
545	266	593	1
546	267	290	2
547	267	291	1
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550	268	594	1
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552	271	600	1
553	271	601	1
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555	272	598	1
556	272	599	1
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568	276	606	1
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570	278	614	1
571	278	615	1
572	279	612	1
573	279	616	1
574	279	617	1
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580	281	621	1
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585	283	628	1
586	283	629	1
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588	285	630	1
589	285	631	1
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592	286	633	1
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595	288	315	1
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598	289	635	1
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600	290	637	1
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625	302	328	1
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632	304	654	1
633	304	655	1
634	305	333	1
635	305	657	1
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637	306	334	1
638	306	335	1
639	306	659	1
640	307	320	1
641	307	321	1
642	307	660	1
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651	311	664	1
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721	352	373	2
722	352	374	1
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744	362	737	1
745	363	738	1
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748	365	741	1
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750	366	742	1
751	370	372	1
752	370	386	1
753	370	747	1
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755	372	749	1
756	372	750	1
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759	374	388	2
760	374	752	1
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762	375	754	1
763	376	755	1
764	377	393	1
765	377	394	1
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767	378	396	1
768	378	758	1
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770	379	759	1
771	381	389	1
772	382	761	1
773	382	762	1
774	382	763	1
775	383	392	1
776	383	398	1
777	383	764	1
778	387	391	2
779	387	766	1
780	388	391	1
781	388	767	1
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783	389	769	1
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793	394	776	1
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796	396	784	1
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798	397	785	1
799	399	404	1
800	399	791	1
801	399	792	1
802	401	402	1
803	401	403	1
804	401	794	1
805	403	409	1
806	403	800	1
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808	404	412	2
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810	405	411	1
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817	407	806	1
818	409	415	1
819	409	807	1
820	409	808	1
821	411	419	1
822	411	811	1
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825	413	817	1
826	413	818	1
827	413	819	1
828	414	816	1
829	414	820	1
830	414	821	1
831	416	417	1
832	417	420	1
833	417	823	1
834	418	824	1
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837	420	826	1
838	421	422	2
839	421	423	1
840	422	424	1
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842	423	425	2
843	423	834	1
844	424	426	2
845	424	835	1
846	425	426	1
847	425	836	1
848	426	837	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
