@<TRIPOS>MOLECULE
118984445
787 797 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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220	C70   -73.2297    64.3038    13.7019	C.3	1	noname	0.0354
221	C71   -57.4951    68.7343     5.7318	C.3	1	noname	0.0918
222	C72   -59.6277    39.7362    -2.6183	C.2	1	noname	-0.0475
223	C73   -59.8835    42.0973    -3.0630	C.2	1	noname	-0.0475
224	C74   -57.9038    64.8799    14.9568	C.2	1	noname	0.0497
225	C75   -68.4889    62.9956    13.8088	C.3	1	noname	-0.0206
226	C76   -56.6984    65.2030    17.8051	C.3	1	noname	-0.0605
227	C77   -59.0789    69.0473     7.6208	C.2	1	noname	0.0494
228	C78   -59.0091    69.9916    -1.1013	C.2	1	noname	0.0493
229	C79   -58.9292    70.9480     2.0921	C.2	1	noname	0.0493
230	C80   -59.9716    72.4027     3.8845	C.3	1	noname	-0.0206
231	C81   -74.3317    63.7598    17.3852	C.3	1	noname	0.0674
232	C82   -56.5243    54.2049    -5.2238	C.3	1	noname	0.0280
233	C83   -59.5661    66.3026    13.7993	C.3	1	noname	0.0976
234	C84   -56.4371    67.6551     5.3787	C.3	1	noname	-0.0035
235	C85   -58.4086    70.8042    -3.3719	C.3	1	noname	0.0883
236	C86   -58.3629    69.1112     4.5940	C.2	1	noname	0.0495
237	C87   -68.1431    64.9742    15.4709	C.2	1	noname	0.0495
238	C88   -58.7014    52.9263    -5.1282	C.2	1	noname	0.0489
239	C89   -57.2645    68.2505    11.5479	C.3	1	noname	0.1109
240	C90   -56.9994    65.5712     1.0514	C.3	1	noname	-0.0627
241	C91   -55.7690    67.6781     0.9418	C.3	1	noname	-0.0627
242	C92   -65.4278    51.9819     6.9906	C.2	1	noname	0.0142
243	C93   -55.9571    62.2816    19.0350	C.3	1	noname	-0.0650
244	C94   -63.4727    69.0062    10.0111	C.3	1	noname	-0.0627
245	C95   -62.4788    66.7570     9.7618	C.3	1	noname	-0.0627
246	C96   -60.0988    61.1062    14.5410	C.3	1	noname	0.1109
247	C97   -59.2063    62.2796    14.4313	C.2	1	noname	0.0505
248	C98   -57.8980    67.9548    10.2407	C.2	1	noname	0.0504
249	C99   -65.8831    63.8146    15.4436	C.3	1	noname	0.0976
250	C100   -69.5304    62.0294    13.1996	C.3	1	noname	0.0229
251	C101   -60.9713    39.6548    -2.2139	C.2	1	noname	-0.0312
252	C102   -61.2456    42.0120    -2.7071	C.2	1	noname	-0.0312
253	C103   -63.2949    54.4964     4.3015	C.2	1	noname	0.0505
254	C104   -57.9978    72.2152    -3.8715	C.3	1	noname	-0.0195
255	C105   -59.0090    67.4958    13.1310	C.2	1	noname	0.0503
256	C106   -61.0497    66.4217    14.2420	C.3	1	noname	0.0280
257	C107   -54.9363    47.6491     4.0249	C.2	1	noname	0.1348
258	C108   -60.6121    72.5007     5.2895	C.3	1	noname	0.0229
259	C109   -64.0048    55.6974     3.8119	C.3	1	noname	0.1109
260	C110   -61.7897    40.7941    -2.2575	C.2	1	noname	-0.0019
261	C111   -74.5638    63.6996    13.6345	C.2	1	noname	0.1348
262	C112   -55.6519    67.1415     6.5331	C.2	1	noname	-0.0660
263	C113   -57.5254    69.7618    -3.9672	C.2	1	noname	0.0494
264	C114   -62.3004    61.8431    17.5787	C.3	1	noname	0.1135
265	C115   -64.5876    64.6174    15.6248	C.3	1	noname	0.0280
266	C116   -55.7300    68.0992    11.5734	C.3	1	noname	0.0675
267	C117   -65.7806    62.5396    16.1976	C.2	1	noname	0.0499
268	C118   -60.7508    60.6062    13.2257	C.3	1	noname	0.0675
269	C119   -65.2447    60.0916    16.1295	C.3	1	noname	0.0976
270	C120   -65.1211    52.0642     8.3427	C.2	1	noname	-0.0702
271	C121   -58.8511    73.3780    -3.3204	C.3	1	noname	0.0354
272	C122   -58.5821    67.5564    -4.5277	C.3	1	noname	0.0960
273	C123   -61.0979    61.3879    16.8251	C.2	1	noname	0.0511
274	C124   -62.0442    62.2785    19.0604	C.3	1	noname	0.0755
275	C125   -63.2679    56.4200     2.6609	C.3	1	noname	0.0675
276	C126   -60.9273    52.0282    -4.7057	C.3	1	noname	0.0766
277	C127   -68.9917    60.9471    12.3591	C.2	1	noname	0.0325
278	C128   -65.2512    53.4828    12.1144	C.3	1	noname	0.0880
279	C129   -63.8038    60.1280    16.4956	C.2	1	noname	0.0504
280	C130   -66.0109    52.3312    12.8345	C.3	1	noname	-0.0265
281	C131   -60.8998    73.8524     5.8006	C.2	1	noname	0.0325
282	C132   -54.7497    67.9718     7.2415	C.2	1	noname	-0.0475
283	C133   -55.8089    65.7965     6.9459	C.2	1	noname	-0.0475
284	C134   -65.2476    51.0443    13.2061	C.3	1	noname	-0.0451
285	C135   -57.7482    63.9930    -5.9246	C.3	1	noname	0.0918
286	C136   -65.5833    58.9552    15.1346	C.3	1	noname	0.0280
287	C137   -60.1184    67.6981    -4.6687	C.3	1	noname	0.0452
288	C138   -58.0705    66.4427    -5.3917	C.2	1	noname	0.0496
289	C139   -67.0721    52.9503     7.9871	C.2	1	noname	-0.0514
290	C140   -57.8282    60.1090    -5.9935	C.3	1	noname	0.0976
291	C141   -57.2566    58.9607    -5.0898	C.3	1	noname	0.0280
292	C142   -66.2242    56.8886    10.6575	C.3	1	noname	0.0976
293	C143   -61.1356    63.5163    19.2187	C.3	1	noname	-0.0369
294	C144   -66.1312    54.5860    11.6337	C.2	1	noname	0.0495
295	C145   -65.0414    56.3967     5.9453	C.2	1	noname	0.0483
296	C146   -56.1983    64.0132    -6.0729	C.3	1	noname	-0.0035
297	C147   -61.4375    50.8185    -4.0716	C.2	1	noname	0.0477
298	C148   -58.4053    74.6806    -3.8237	C.2	1	noname	0.1348
299	C149   -58.3417    62.6217    -5.6962	C.2	1	noname	0.0497
300	C150   -61.9734    54.8271    13.5691	C.3	1	noname	0.0933
301	C151   -54.0259    67.4672     8.3387	C.2	1	noname	-0.0312
302	C152   -55.0969    65.3009     8.0557	C.2	1	noname	-0.0312
303	C153   -63.4513    49.7078    -3.2485	C.3	1	noname	0.0883
304	C154   -64.9144    57.2833     7.1043	C.3	1	noname	0.0766
305	C155   -66.1812    50.1972    14.0729	C.3	1	noname	-0.0627
306	C156   -64.8683    50.2032    11.9797	C.3	1	noname	-0.0627
307	C157   -62.9505    54.3028    12.5869	C.2	1	noname	0.0495
308	C158   -54.2097    66.1372     8.7571	C.2	1	noname	-0.0019
309	C159   -66.3064    57.8348    11.8865	C.3	1	noname	0.0280
310	C160   -65.5176    57.4887     9.4882	C.2	1	noname	0.0489
311	C161   -59.2184    59.7790    -6.3950	C.2	1	noname	0.0501
312	C162   -62.4737    56.1845    14.1245	C.3	1	noname	0.0153
313	C163   -63.1033    49.7003    -1.7435	C.3	1	noname	-0.0195
314	C164   -60.6149    68.0778    -6.0049	C.2	1	noname	0.0335
315	C165   -55.3873    63.7518    -4.8657	C.2	1	noname	-0.0660
316	C166   -58.1819    54.9964    12.9082	C.3	1	noname	0.0882
317	C167   -64.9018    49.8068    -3.5231	C.2	1	noname	0.0493
318	C168   -59.4683    54.7901    13.6419	C.2	1	noname	0.0494
319	C169   -66.6974    49.1865    -5.0834	C.3	1	noname	0.0878
320	C170   -56.9425    54.7558    13.8212	C.3	1	noname	-0.0206
321	C171   -63.7002    48.4692    -1.0543	C.3	1	noname	0.0354
322	C172   -66.8233    49.0922    -6.6214	C.3	1	noname	-0.0276
323	C173   -61.6937    56.6782    15.2651	C.2	1	noname	0.0142
324	C174   -60.6908    59.0928    -8.2886	C.3	1	noname	0.1082
325	C175   -60.7882    58.6759     9.0347	C.3	1	noname	0.0901
326	C176   -57.4298    58.1303    10.7731	C.3	1	noname	0.0960
327	C177   -61.8393    57.7647     9.7459	C.3	1	noname	-0.0227
328	C178   -55.3423    64.6631    -3.7841	C.2	1	noname	-0.0475
329	C179   -54.6090    62.5728    -4.8067	C.2	1	noname	-0.0475
330	C180   -57.4677    56.7167    11.2305	C.2	1	noname	0.0495
331	C181   -55.5480    54.7785    13.1596	C.3	1	noname	0.0229
332	C182   -66.2615    50.2933    -7.3959	C.3	1	noname	-0.0382
333	C183   -59.3589    58.2831     9.2165	C.2	1	noname	0.0496
334	C184   -56.8708    59.0853    11.8582	C.3	1	noname	0.0452
335	C185   -61.5364    60.2298    -8.9197	C.3	1	noname	0.0463
336	C186   -67.2810    48.0052    -4.3960	C.2	1	noname	0.0485
337	C187   -61.7971    56.2384    16.5781	C.2	1	noname	-0.0702
338	C188   -54.5649    64.3767    -2.6474	C.2	1	noname	-0.0312
339	C189   -53.8391    62.2864    -3.6659	C.2	1	noname	-0.0312
340	C190   -61.7943    56.2750     9.3540	C.3	1	noname	-0.0608
341	C191   -61.8086    57.8392    11.2787	C.3	1	noname	-0.0608
342	C192   -66.5408    50.0258    -8.8716	C.3	1	noname	0.0024
343	C193   -63.0811    47.1998    -1.4123	C.2	1	noname	0.1348
344	C194   -53.8191    63.1854    -2.5842	C.2	1	noname	-0.0019
345	C195   -60.2570    58.0424    -9.2419	C.2	1	noname	0.1442
346	C196   -60.7631    59.6365     6.7243	C.2	1	noname	0.0492
347	C197   -54.3862    54.6752    14.0607	C.2	1	noname	0.0325
348	C198   -61.1913    59.3858     5.3250	C.3	1	noname	0.0829
349	C199   -60.2658    57.7644    16.4550	C.2	1	noname	-0.0514
350	C200   -56.7337    60.5131    11.4999	C.2	1	noname	0.0335
351	C201   -61.9820    61.2638    -7.9744	C.2	1	noname	0.0335
352	C202   -60.6116    60.3684     4.2770	C.3	1	noname	-0.0041
353	C203   -68.5656    47.2655    -2.4077	C.3	1	noname	0.0766
354	C204   -69.8102    47.4220     1.1663	C.3	1	noname	0.0918
355	C205   -69.0076    47.8433    -1.1298	C.2	1	noname	0.0478
356	C206   -60.9679    60.0570     2.8773	C.2	1	noname	-0.0541
357	C207   -67.7888    49.4658     3.6891	C.3	1	noname	0.0918
358	C208   -63.1499    38.5622     3.2075	C.3	1	noname	0.0878
359	C209   -62.2933    38.1612     4.4324	C.3	1	noname	-0.0288
360	C210   -70.4873    46.2570     1.9310	C.3	1	noname	-0.0035
361	C211   -67.3002    46.5595     6.1009	C.3	1	noname	0.0918
362	C212   -65.9206    50.9054   -11.0025	C.2	1	noname	-0.1456
363	C213   -68.6462    47.9521     1.9230	C.2	1	noname	0.0495
364	C214   -67.4130    43.8378     3.3384	C.3	1	noname	0.1135
365	C215   -62.0169    39.3360     5.3898	C.3	1	noname	-0.0501
366	C216   -66.6229    40.1220     3.4437	C.3	1	noname	0.0970
367	C217   -68.3163    50.6486     4.5290	C.3	1	noname	-0.0035
368	C218   -67.1195    48.5120     4.5924	C.2	1	noname	0.0495
369	C219   -68.3125    46.0210     7.1367	C.3	1	noname	-0.0035
370	C220   -61.8905    60.8829     2.1947	C.2	1	noname	-0.0567
371	C221   -60.3983    58.9495     2.2048	C.2	1	noname	-0.0567
372	C222   -66.6764    44.4357     2.0852	C.3	1	noname	0.0755
373	C223   -66.8451    45.4516     5.2259	C.2	1	noname	0.0501
374	C224   -61.2063    38.8878     6.6074	C.3	1	noname	-0.0408
375	C225   -63.3164    37.4637     2.2265	C.2	1	noname	0.0502
376	C226   -65.1332    40.0660     3.3838	C.2	1	noname	0.0496
377	C227   -66.8575    42.5765     3.8981	C.2	1	noname	0.0507
378	C228   -71.6449    45.6535     1.2229	C.2	1	noname	-0.0541
379	C229   -67.0895    39.3404     2.1865	C.3	1	noname	0.0577
380	C230   -68.9343    51.7229     3.7267	C.2	1	noname	-0.0541
381	C231   -64.4489    35.2951     1.6987	C.3	1	noname	0.1258
382	C232   -68.8185    47.0696     8.0450	C.2	1	noname	-0.0660
383	C233   -62.2501    60.5948     0.8664	C.2	1	noname	-0.0604
384	C234   -60.7591    58.6678     0.8749	C.2	1	noname	-0.0604
385	C235   -61.0494    40.0817     7.5544	C.3	1	noname	-0.0076
386	C236   -65.6442    43.5974     1.3042	C.3	1	noname	-0.0369
387	C237   -61.6873    59.4872     0.2062	C.2	1	noname	-0.0616
388	C238   -63.5814    34.0060     1.8105	C.3	1	noname	0.0766
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407	H1   -55.8641    45.8663    -2.5980	H	1	noname	0.0566
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520	H114   -59.0885    38.8685    -2.6291	H	1	noname	0.0626
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522	H116   -67.7921    63.3146    13.0337	H	1	noname	0.0292
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525	H119   -57.6155    65.4559    18.3372	H	1	noname	0.0234
526	H120   -56.4792    65.9778    17.0705	H	1	noname	0.0234
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528	H122   -65.0151    53.5452     4.7005	H	1	noname	0.1319
529	H123   -58.1629    61.7963    16.0656	H	1	noname	0.1319
530	H124   -60.6517    72.8251     3.1449	H	1	noname	0.0292
531	H125   -59.0946    73.0499     3.8877	H	1	noname	0.0292
532	H126   -73.8411    64.6394    16.9684	H	1	noname	0.0522
533	H127   -75.0479    63.3162    16.6936	H	1	noname	0.0522
534	H128   -55.4531    54.0738    -5.0702	H	1	noname	0.0410
535	H129   -56.6389    54.2459    -6.3070	H	1	noname	0.0410
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539	H133   -58.0690    71.0654     4.8861	H	1	noname	0.1318
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541	H135   -57.0149    66.8125     4.9989	H	1	noname	0.0337
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543	H137   -59.0920    66.2414    15.8014	H	1	noname	0.1319
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564	H158   -70.2260    62.5777    12.5643	H	1	noname	0.0361
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635	H229   -63.8610    57.4987     7.2832	H	1	noname	0.0529
636	H230   -65.2685    58.2867     6.8680	H	1	noname	0.0529
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641	H235   -66.4504    50.7552    14.9697	H	1	noname	0.0233
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652	H246   -60.9209    75.8518     5.5224	H	1	noname	0.1271
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655	H249   -62.0177    49.6463    -1.6622	H	1	noname	0.0293
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660	H254   -67.2306    50.0939    -4.7741	H	1	noname	0.0566
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662	H256   -56.9467    55.5145    14.6038	H	1	noname	0.0292
663	H257   -58.7862    59.8656    -8.3444	H	1	noname	0.1319
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665	H259   -63.4766    48.6214     0.0016	H	1	noname	0.0373
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679	H273   -66.7809    51.2003    -7.0864	H	1	noname	0.0280
680	H274   -65.2014    50.4522    -7.1987	H	1	noname	0.0280
681	H275   -59.7635    69.9073    -6.0988	H	1	noname	0.1271
682	H276   -60.6526    69.4788    -7.4541	H	1	noname	0.1271
683	H277   -53.7819    64.7287     9.9863	H	1	noname	0.2181
684	H278   -59.2720    59.0066    11.0786	H	1	noname	0.1319
685	H279   -55.9135    58.7071    12.2168	H	1	noname	0.0382
686	H280   -57.5031    59.0437    12.7451	H	1	noname	0.0382
687	H281   -60.9732    60.6954    -9.7285	H	1	noname	0.0383
688	H282   -62.4210    59.7230    -9.3053	H	1	noname	0.0383
689	H283   -61.7321    58.0079     7.3344	H	1	noname	0.1319
690	H284   -62.4282    55.5194    16.9368	H	1	noname	0.0808
691	H285   -54.5425    65.0385    -1.8684	H	1	noname	0.0650
692	H286   -53.2945    61.4222    -3.6270	H	1	noname	0.0650
693	H287   -62.5630    55.7314     9.9032	H	1	noname	0.0234
694	H288   -62.5698    57.1762    11.6900	H	1	noname	0.0234
695	H289   -62.0078    58.8625    11.5968	H	1	noname	0.0234
696	H290   -61.9735    56.1754     8.2834	H	1	noname	0.0234
697	H291   -60.8144    55.8646     9.5981	H	1	noname	0.0234
698	H292   -60.8265    57.5317    11.6377	H	1	noname	0.0234
699	H293   -67.6105    50.1154    -9.0610	H	1	noname	0.0432
700	H294   -66.2117    49.0251    -9.1517	H	1	noname	0.0432
701	H295   -60.8759    58.3727     5.0603	H	1	noname	0.0563
702	H296   -60.7479    56.8481    18.2418	H	1	noname	0.1531
703	H297   -68.1072    49.1728    -3.0112	H	1	noname	0.1316
704	H298   -59.5254    58.4094    16.7309	H	1	noname	0.1013
705	H299   -60.9295    61.3834     4.5157	H	1	noname	0.0337
706	H300   -59.5315    60.2620     4.3781	H	1	noname	0.0337
707	H301   -69.4132    46.7954    -2.9064	H	1	noname	0.0529
708	H302   -67.9090    46.4070    -2.2665	H	1	noname	0.0529
709	H303   -64.9060    50.9651    -9.4224	H	1	noname	0.1306
710	H304   -70.5443    48.2271     1.0698	H	1	noname	0.0569
711	H305   -61.3514    46.1536    -1.4787	H	1	noname	0.2213
712	H306   -55.3200    54.3022    15.8137	H	1	noname	0.1271
713	H307   -53.6476    54.3850    15.9157	H	1	noname	0.1271
714	H308   -53.1738    63.6325    -0.8355	H	1	noname	0.2181
715	H309   -62.9664    59.2719     4.3080	H	1	noname	0.1191
716	H310   -63.0501    58.7298     5.8842	H	1	noname	0.1191
717	H311   -59.1820    56.3195    -9.3922	H	1	noname	0.2213
718	H312   -69.4571    46.0500    -0.3557	H	1	noname	0.1318
719	H313   -62.6559    39.4040     2.7050	H	1	noname	0.0566
720	H314   -67.0536    49.8640     2.9808	H	1	noname	0.0569
721	H315   -57.4054    60.4373     9.5967	H	1	noname	0.1271
722	H316   -56.9432    61.9637    10.1127	H	1	noname	0.1271
723	H317   -63.0372    61.6546    -6.3047	H	1	noname	0.1271
724	H318   -63.0397    60.0420    -6.7705	H	1	noname	0.1271
725	H319   -62.7909    37.3584     4.9766	H	1	noname	0.0287
726	H320   -61.3213    37.7970     4.0997	H	1	noname	0.0287
727	H321   -70.8036    46.6035     2.9149	H	1	noname	0.0337
728	H322   -69.7321    45.4776     2.0326	H	1	noname	0.0337
729	H323   -66.4530    46.9603     6.6695	H	1	noname	0.0569
730	H324   -68.4067    43.5752     2.9740	H	1	noname	0.0593
731	H325   -62.9625    39.7653     5.7208	H	1	noname	0.0268
732	H326   -61.4919    40.1372     4.8696	H	1	noname	0.0268
733	H327   -69.7584    49.0323     3.1920	H	1	noname	0.1319
734	H328   -66.9904    39.6581     4.3679	H	1	noname	0.0571
735	H329   -69.0359    50.2820     5.2610	H	1	noname	0.0337
736	H330   -67.4305    51.0509     5.0206	H	1	noname	0.0337
737	H331   -69.1500    45.5547     6.6179	H	1	noname	0.0337
738	H332   -67.7593    45.2731     7.7048	H	1	noname	0.0337
739	H333   -65.0326    38.1352     3.9178	H	1	noname	0.1318
740	H334   -62.3147    61.6961     2.6532	H	1	noname	0.0625
741	H335   -59.7189    58.3393     2.6704	H	1	noname	0.0625
742	H336   -68.8214    47.7091     5.2884	H	1	noname	0.1319
743	H337   -66.1616    45.3214     2.4177	H	1	noname	0.0619
744	H338   -61.7351    38.0844     7.1202	H	1	noname	0.0279
745	H339   -60.2355    38.4865     6.3167	H	1	noname	0.0279
746	H340   -68.6192    45.1441     4.3619	H	1	noname	0.1319
747	H341   -67.9040    41.5017     2.6113	H	1	noname	0.1319
748	H342   -66.6070    39.7548     1.3012	H	1	noname	0.0394
749	H343   -66.6810    38.3309     2.2313	H	1	noname	0.0394
750	H344   -64.3936    35.6667     0.6683	H	1	noname	0.0605
751	H345   -64.1159    36.1890     3.5430	H	1	noname	0.1320
752	H346   -62.9232    61.1910     0.3793	H	1	noname	0.0622
753	H347   -60.3476    57.8654     0.3927	H	1	noname	0.0622
754	H348   -62.0344    40.4410     7.8524	H	1	noname	0.0425
755	H349   -60.5184    40.8815     7.0382	H	1	noname	0.0425
756	H350   -65.0839    50.5157   -12.6327	H	1	noname	0.1267
757	H351   -64.6639    49.5817   -11.4243	H	1	noname	0.1267
758	H352   -64.8713    43.2445     1.9869	H	1	noname	0.0257
759	H353   -66.1421    42.7427     0.8461	H	1	noname	0.0257
760	H354   -65.1897    44.2123     0.5274	H	1	noname	0.0257
761	H355   -61.9519    59.2786    -0.7584	H	1	noname	0.0622
762	H356   -63.5831    33.6405     2.8422	H	1	noname	0.0619
763	H357   -70.7619    43.7246     0.9886	H	1	noname	0.0625
764	H358   -72.8980    47.3805     1.2566	H	1	noname	0.0625
765	H359   -67.0031    51.2333   -12.5626	H	1	noname	0.1898
766	H360   -70.8770    51.4879     4.5760	H	1	noname	0.0625
767	H361   -67.1760    52.3035     2.6617	H	1	noname	0.0625
768	H362   -70.8352    46.9428     7.3621	H	1	noname	0.0626
769	H363   -66.9615    47.5002     9.0089	H	1	noname	0.0626
770	H364   -68.1069    44.0253     0.7815	H	1	noname	0.2105
771	H365   -65.0642    32.5864     1.1183	H	1	noname	0.0257
772	H366   -63.9684    33.1778    -0.1536	H	1	noname	0.0257
773	H367   -63.3888    31.9907     1.0393	H	1	noname	0.0257
774	H368   -72.6020    42.7654    -0.2349	H	1	noname	0.0622
775	H369   -74.7064    46.3958     0.0127	H	1	noname	0.0622
776	H370   -60.1960    40.4933     9.3659	H	1	noname	0.1184
777	H371   -60.7894    38.9394     9.2297	H	1	noname	0.1184
778	H372   -74.5682    44.0939    -0.7445	H	1	noname	0.0622
779	H373   -71.9257    53.1796     3.2216	H	1	noname	0.0622
780	H374   -68.2640    53.9637     1.3015	H	1	noname	0.0622
781	H375   -71.6612    48.7195     8.7564	H	1	noname	0.0650
782	H376   -67.8079    49.2952    10.3625	H	1	noname	0.0650
783	H377   -70.6372    54.4070     1.5687	H	1	noname	0.0622
784	H378   -61.8810    34.9912     2.0611	H	1	noname	0.2105
785	H379   -69.8356    38.6809     0.4827	H	1	noname	0.2213
786	H380   -67.7967    35.6276     1.5704	H	1	noname	0.2213
787	H381   -71.2261    50.2911    10.2639	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	4	1
2	1	232	1
3	2	3	1
4	2	256	1
5	3	265	1
6	4	291	1
7	5	6	1
8	5	286	1
9	6	309	1
10	7	166	2
11	8	171	2
12	9	172	2
13	10	174	2
14	11	176	2
15	12	179	2
16	13	181	2
17	14	183	2
18	15	197	2
19	16	200	2
20	17	203	2
21	18	206	2
22	19	209	2
23	20	224	2
24	21	227	2
25	22	228	2
26	23	229	2
27	24	236	2
28	25	237	2
29	26	238	2
30	27	257	1
31	27	617	1
32	28	247	2
33	29	248	2
34	30	260	1
35	30	623	1
36	31	261	1
37	31	624	1
38	32	253	2
39	33	255	2
40	34	257	2
41	35	261	2
42	36	266	1
43	36	634	1
44	37	268	1
45	37	646	1
46	38	263	2
47	274	39	1
48	39	653	1
49	40	267	2
50	41	275	1
51	41	656	1
52	42	273	2
53	43	277	2
54	44	279	2
55	45	281	2
56	46	288	2
57	47	298	1
58	47	674	1
59	48	294	2
60	49	295	2
61	50	297	2
62	51	298	2
63	52	308	1
64	52	683	1
65	53	299	2
66	54	307	2
67	55	310	2
68	56	311	2
69	57	314	2
70	58	317	2
71	59	318	2
72	60	330	2
73	61	333	2
74	62	336	2
75	63	343	1
76	63	711	1
77	64	344	1
78	64	714	1
79	65	345	1
80	65	717	1
81	66	343	2
82	67	345	2
83	68	346	2
84	69	347	2
85	70	350	2
86	71	351	2
87	72	355	2
88	73	363	2
89	372	74	1
90	74	770	1
91	75	368	2
92	76	373	2
93	77	375	2
94	78	376	2
95	79	377	2
96	388	80	1
97	80	784	1
98	81	395	1
99	81	785	1
100	82	396	1
101	82	786	1
102	83	395	2
103	84	396	2
104	85	406	1
105	85	787	1
106	151	86	1
107	86	172	1
108	86	426	1
109	157	87	1
110	87	166	1
111	87	431	1
112	156	88	1
113	88	171	1
114	88	432	1
115	159	89	1
116	89	174	1
117	89	435	1
118	160	90	1
119	90	176	1
120	90	439	1
121	154	91	1
122	91	209	1
123	91	447	1
124	158	92	1
125	92	197	1
126	92	448	1
127	163	93	1
128	93	203	1
129	93	456	1
130	180	94	1
131	94	181	1
132	94	463	1
133	95	179	1
134	182	95	1
135	95	464	1
136	188	96	1
137	96	200	1
138	96	494	1
139	97	183	1
140	207	97	1
141	97	495	1
142	98	206	1
143	212	98	1
144	98	518	1
145	205	99	1
146	99	229	1
147	99	527	1
148	201	100	1
149	100	253	1
150	100	528	1
151	101	204	1
152	101	247	1
153	101	529	1
154	210	102	1
155	102	248	1
156	102	537	1
157	221	103	1
158	103	227	1
159	103	538	1
160	219	104	1
161	104	236	1
162	104	539	1
163	105	224	1
164	105	233	1
165	105	543	1
166	106	228	1
167	235	106	1
168	106	551	1
169	107	237	1
170	249	107	1
171	107	569	1
172	239	108	1
173	108	255	1
174	108	575	1
175	109	238	1
176	109	276	1
177	109	581	1
178	110	246	1
179	110	273	1
180	110	582	1
181	111	231	1
182	111	587	1
183	111	588	1
184	112	263	1
185	272	112	1
186	112	592	1
187	113	267	1
188	113	269	1
189	113	596	1
190	114	242	1
191	114	289	2
192	115	264	1
193	115	279	1
194	115	597	1
195	259	116	1
196	116	295	1
197	116	600	1
198	117	270	1
199	117	289	1
200	117	607	1
201	285	118	1
202	118	288	1
203	118	618	1
204	278	119	1
205	119	307	1
206	119	627	1
207	290	120	1
208	120	299	1
209	120	631	1
210	292	121	1
211	121	294	1
212	121	633	1
213	122	297	1
214	303	122	1
215	122	645	1
216	123	277	1
217	123	647	1
218	123	648	1
219	124	281	1
220	124	651	1
221	124	652	1
222	125	304	1
223	125	310	1
224	125	657	1
225	300	126	1
226	126	318	1
227	126	659	1
228	127	311	1
229	324	127	1
230	127	663	1
231	128	317	1
232	319	128	1
233	128	666	1
234	316	129	1
235	129	330	1
236	129	669	1
237	130	314	1
238	130	681	1
239	130	682	1
240	326	131	1
241	131	333	1
242	131	684	1
243	325	132	1
244	132	346	1
245	132	689	1
246	133	323	1
247	133	349	2
248	134	337	1
249	134	349	1
250	134	702	1
251	135	336	1
252	135	353	1
253	135	703	1
254	136	342	1
255	136	362	1
256	136	709	1
257	137	347	1
258	137	712	1
259	137	713	1
260	348	138	1
261	138	715	1
262	138	716	1
263	354	139	1
264	139	355	1
265	139	718	1
266	140	350	1
267	140	721	1
268	140	722	1
269	141	351	1
270	141	723	1
271	141	724	1
272	357	142	1
273	142	363	1
274	142	733	1
275	358	143	1
276	143	376	1
277	143	739	1
278	361	144	1
279	144	368	1
280	144	742	1
281	364	145	1
282	145	373	1
283	145	746	1
284	366	146	1
285	146	377	1
286	146	747	1
287	147	375	1
288	381	147	1
289	147	751	1
290	148	362	1
291	148	756	1
292	148	757	1
293	149	362	2
294	149	765	1
295	150	385	1
296	150	776	1
297	150	777	1
298	151	152	1
299	151	166	1
300	151	407	1
301	152	155	1
302	152	408	1
303	152	409	1
304	153	154	1
305	153	169	1
306	153	175	1
307	153	410	1
308	154	171	1
309	154	411	1
310	155	177	1
311	155	178	1
312	155	412	1
313	156	161	1
314	156	179	1
315	156	413	1
316	157	164	1
317	157	183	1
318	157	414	1
319	158	162	1
320	158	174	1
321	158	415	1
322	159	172	1
323	159	173	1
324	159	417	1
325	160	167	1
326	160	181	1
327	160	416	1
328	161	184	1
329	161	185	1
330	161	418	1
331	162	168	1
332	162	419	1
333	162	420	1
334	163	165	1
335	163	176	1
336	163	421	1
337	164	186	1
338	164	187	1
339	164	422	1
340	165	170	1
341	165	423	1
342	165	424	1
343	167	189	1
344	167	190	1
345	167	425	1
346	168	191	1
347	168	192	1
348	168	427	1
349	169	193	1
350	169	428	1
351	169	429	1
352	170	195	1
353	170	196	1
354	170	430	1
355	173	198	1
356	173	433	1
357	173	434	1
358	175	436	1
359	175	437	1
360	175	438	1
361	177	440	1
362	177	441	1
363	177	442	1
364	178	443	1
365	178	444	1
366	178	445	1
367	180	194	1
368	180	200	1
369	180	446	1
370	182	199	1
371	182	206	1
372	182	449	1
373	184	450	1
374	184	451	1
375	184	453	1
376	185	452	1
377	185	454	1
378	185	455	1
379	186	457	1
380	186	461	1
381	186	462	1
382	187	458	1
383	187	459	1
384	187	460	1
385	188	197	1
386	188	217	1
387	188	465	1
388	189	467	1
389	189	468	1
390	189	469	1
391	190	466	1
392	190	470	1
393	190	471	1
394	191	472	1
395	191	473	1
396	191	474	1
397	192	475	1
398	192	476	1
399	192	477	1
400	193	478	1
401	193	479	1
402	193	480	1
403	194	214	1
404	194	481	1
405	194	482	1
406	195	483	1
407	195	484	1
408	195	486	1
409	196	485	1
410	196	487	1
411	196	488	1
412	198	222	2
413	198	223	1
414	199	220	1
415	199	489	1
416	199	490	1
417	201	203	1
418	201	215	1
419	201	492	1
420	202	204	1
421	202	216	1
422	202	226	1
423	202	491	1
424	204	224	1
425	204	493	1
426	205	208	1
427	205	228	1
428	205	496	1
429	207	232	1
430	207	238	1
431	207	497	1
432	208	213	1
433	208	498	1
434	208	499	1
435	209	231	1
436	210	211	1
437	210	227	1
438	210	500	1
439	211	218	1
440	211	501	1
441	211	502	1
442	212	225	1
443	212	237	1
444	212	503	1
445	213	240	1
446	213	241	1
447	213	504	1
448	214	257	1
449	214	505	1
450	214	506	1
451	215	242	1
452	215	507	1
453	215	508	1
454	216	243	1
455	216	509	1
456	216	510	1
457	217	512	1
458	217	513	1
459	217	514	1
460	218	244	1
461	218	245	1
462	218	511	1
463	219	229	1
464	219	230	1
465	219	515	1
466	220	261	1
467	220	516	1
468	220	517	1
469	221	234	1
470	221	236	1
471	221	519	1
472	222	251	1
473	222	520	1
474	223	252	2
475	223	521	1
476	225	250	1
477	225	522	1
478	225	523	1
479	226	524	1
480	226	525	1
481	226	526	1
482	230	258	1
483	230	530	1
484	230	531	1
485	231	532	1
486	231	533	1
487	232	534	1
488	232	535	1
489	233	255	1
490	233	256	1
491	233	536	1
492	234	262	1
493	234	540	1
494	234	541	1
495	235	254	1
496	235	263	1
497	235	542	1
498	239	248	1
499	239	266	1
500	239	544	1
501	240	545	1
502	240	547	1
503	240	548	1
504	241	546	1
505	241	549	1
506	241	550	1
507	242	270	2
508	243	552	1
509	243	553	1
510	243	554	1
511	244	556	1
512	244	557	1
513	244	558	1
514	245	555	1
515	245	559	1
516	245	560	1
517	246	247	1
518	246	268	1
519	246	561	1
520	249	265	1
521	249	267	1
522	249	562	1
523	250	277	1
524	250	563	1
525	250	564	1
526	251	260	2
527	251	565	1
528	252	260	1
529	252	566	1
530	253	259	1
531	254	271	1
532	254	567	1
533	254	568	1
534	256	570	1
535	256	571	1
536	258	281	1
537	258	572	1
538	258	573	1
539	259	275	1
540	259	574	1
541	262	282	2
542	262	283	1
543	264	273	1
544	264	274	1
545	264	576	1
546	265	577	1
547	265	578	1
548	266	579	1
549	266	580	1
550	268	583	1
551	268	584	1
552	269	279	1
553	269	286	1
554	269	585	1
555	270	586	1
556	271	298	1
557	271	589	1
558	271	590	1
559	272	287	1
560	272	288	1
561	272	591	1
562	274	293	1
563	274	593	1
564	275	594	1
565	275	595	1
566	276	297	1
567	276	598	1
568	276	599	1
569	278	280	1
570	278	294	1
571	278	601	1
572	280	284	1
573	280	602	1
574	280	603	1
575	282	301	1
576	282	604	1
577	283	302	2
578	283	605	1
579	284	305	1
580	284	306	1
581	284	606	1
582	285	296	1
583	285	299	1
584	285	608	1
585	286	609	1
586	286	610	1
587	287	314	1
588	287	611	1
589	287	612	1
590	289	613	1
591	290	291	1
592	290	311	1
593	290	614	1
594	291	615	1
595	291	616	1
596	292	309	1
597	292	310	1
598	292	619	1
599	293	620	1
600	293	621	1
601	293	622	1
602	295	304	1
603	296	315	1
604	296	625	1
605	296	626	1
606	300	307	1
607	300	312	1
608	300	628	1
609	301	308	2
610	301	629	1
611	302	308	1
612	302	630	1
613	303	313	1
614	303	317	1
615	303	632	1
616	304	635	1
617	304	636	1
618	305	639	1
619	305	641	1
620	305	642	1
621	306	637	1
622	306	638	1
623	306	640	1
624	309	643	1
625	309	644	1
626	312	323	1
627	312	649	1
628	312	650	1
629	313	321	1
630	313	654	1
631	313	655	1
632	315	328	2
633	315	329	1
634	316	318	1
635	316	320	1
636	316	658	1
637	319	322	1
638	319	336	1
639	319	660	1
640	320	331	1
641	320	661	1
642	320	662	1
643	321	343	1
644	321	664	1
645	321	665	1
646	322	332	1
647	322	667	1
648	322	668	1
649	323	337	2
650	324	335	1
651	324	345	1
652	324	672	1
653	325	327	1
654	325	333	1
655	325	670	1
656	326	330	1
657	326	334	1
658	326	671	1
659	327	340	1
660	327	341	1
661	327	673	1
662	328	338	1
663	328	675	1
664	329	339	2
665	329	676	1
666	331	347	1
667	331	677	1
668	331	678	1
669	332	342	1
670	332	679	1
671	332	680	1
672	334	350	1
673	334	685	1
674	334	686	1
675	335	351	1
676	335	687	1
677	335	688	1
678	337	690	1
679	338	344	2
680	338	691	1
681	339	344	1
682	339	692	1
683	340	693	1
684	340	696	1
685	340	697	1
686	341	694	1
687	341	695	1
688	341	698	1
689	342	699	1
690	342	700	1
691	346	348	1
692	348	352	1
693	348	701	1
694	349	704	1
695	352	356	1
696	352	705	1
697	352	706	1
698	353	355	1
699	353	707	1
700	353	708	1
701	354	360	1
702	354	363	1
703	354	710	1
704	356	370	2
705	356	371	1
706	357	367	1
707	357	368	1
708	357	720	1
709	358	359	1
710	358	375	1
711	358	719	1
712	359	365	1
713	359	725	1
714	359	726	1
715	360	378	1
716	360	727	1
717	360	728	1
718	361	369	1
719	361	373	1
720	361	729	1
721	364	372	1
722	364	377	1
723	364	730	1
724	365	374	1
725	365	731	1
726	365	732	1
727	366	376	1
728	366	379	1
729	366	734	1
730	367	380	1
731	367	735	1
732	367	736	1
733	369	382	1
734	369	737	1
735	369	738	1
736	370	383	1
737	370	740	1
738	371	384	2
739	371	741	1
740	372	386	1
741	372	743	1
742	374	385	1
743	374	744	1
744	374	745	1
745	378	389	2
746	378	390	1
747	379	395	1
748	379	748	1
749	379	749	1
750	380	391	2
751	380	392	1
752	381	388	1
753	381	396	1
754	381	750	1
755	382	393	2
756	382	394	1
757	383	387	2
758	383	752	1
759	384	387	1
760	384	753	1
761	385	754	1
762	385	755	1
763	386	758	1
764	386	759	1
765	386	760	1
766	387	761	1
767	388	397	1
768	388	762	1
769	389	398	1
770	389	763	1
771	390	399	2
772	390	764	1
773	391	401	1
774	391	766	1
775	392	402	2
776	392	767	1
777	393	403	1
778	393	768	1
779	394	404	2
780	394	769	1
781	397	771	1
782	397	772	1
783	397	773	1
784	398	400	2
785	398	774	1
786	399	400	1
787	399	775	1
788	400	778	1
789	401	405	2
790	401	779	1
791	402	405	1
792	402	780	1
793	403	406	2
794	403	781	1
795	404	406	1
796	404	782	1
797	405	783	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
