@<TRIPOS>MOLECULE
71587550
684 730 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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225	C8    -9.0358    31.0119     3.1285	C.3	1	noname	0.1111
226	C9    -7.5142    23.6430     0.4434	C.3	1	noname	0.1330
227	C10     1.7989    29.8044    -1.8303	C.3	1	noname	0.1111
228	C11     2.6502    29.7575    -8.5212	C.3	1	noname	0.1115
229	C12    -4.2317    32.0695    -0.6252	C.3	1	noname	0.1111
230	C13    10.0050    34.3912    14.8384	C.3	1	noname	0.1037
231	C14     5.7597    37.5665    14.9668	C.3	1	noname	0.1034
232	C15   -11.0850    31.1820     2.0226	C.3	1	noname	0.0179
233	C16     0.3805    29.2061    -8.2815	C.3	1	noname	0.0207
234	C17     9.0257    33.4906    15.6152	C.3	1	noname	0.1114
235	C18     5.1393    38.9923    15.1327	C.3	1	noname	0.1111
236	C19     2.0245    31.0826     0.1141	C.3	1	noname	0.0179
237	C20    -6.3199    31.1256    -0.3184	C.3	1	noname	0.0179
238	C21     0.6966    29.5155    -9.7711	C.3	1	noname	0.1330
239	C22   -10.9739    32.3443     3.0436	C.3	1	noname	0.1251
240	C23    11.2204    34.0539    15.6959	C.3	1	noname	0.0207
241	C24    -0.2003    39.8764    16.3591	C.3	1	noname	0.1034
242	C25     3.3747    30.3757    -0.1707	C.3	1	noname	0.1251
243	C26    -5.9628    31.0271    -1.8243	C.3	1	noname	0.1251
244	C27     6.9065    37.9007    13.9994	C.3	1	noname	0.0179
245	C28    11.1516    32.5162    15.8306	C.3	1	noname	0.1330
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247	C30    -0.6202    32.5670    13.2814	C.3	1	noname	0.1034
248	C31     4.1685    31.5976     9.5606	C.3	1	noname	0.1034
249	C32     7.3576    39.3194    14.3786	C.3	1	noname	0.1251
250	C33    -3.6073    26.9962     8.9143	C.3	1	noname	0.1034
251	C34    -2.9539    29.7259    11.9812	C.3	1	noname	0.1034
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253	C36    -8.2534    26.6252     7.0270	C.3	1	noname	0.1034
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255	C38   -14.0918    23.0118     4.0355	C.3	1	noname	0.1111
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257	C40    -2.1949    26.5246     8.4684	C.3	1	noname	0.1111
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259	C42    -3.8328    31.0028    11.9860	C.3	1	noname	0.1111
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261	C44    -1.6189    41.6430    15.4530	C.3	1	noname	0.1251
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266	C49    -2.9866    29.4062    13.4877	C.3	1	noname	0.0179
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275	C58    -4.3740    29.9395    13.9593	C.3	1	noname	0.1251
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282	C65    -1.1044    30.5517     4.6737	C.3	1	noname	0.0179
283	C66    -6.7640    34.1155     7.1831	C.3	1	noname	0.0179
284	C67    -7.5133    31.2552     3.1730	C.3	1	noname	0.0892
285	C68     3.1359    36.0119    18.4999	C.3	1	noname	0.1256
286	C69     1.7376    29.7178    -3.3747	C.3	1	noname	0.0892
287	C70    -2.6938    31.9863    -0.5229	C.3	1	noname	0.0892
288	C71    -0.4360    29.2072     5.0432	C.3	1	noname	0.1256
289	C72    -8.2938    34.0309     7.3908	C.3	1	noname	0.1256
290	C73     6.1726    26.8572    -6.3892	C.3	1	noname	0.1042
291	C74     4.1573    29.4217    -8.5137	C.3	1	noname	0.0900
292	C75     7.6157    33.4775    14.9988	C.3	1	noname	0.0892
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295	C78     4.6554    26.5674    -6.4046	C.3	1	noname	0.0179
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299	C82    14.2906    35.9974    12.9404	C.3	1	noname	0.1111
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304	C87    -4.3614    31.5410    10.6335	C.3	1	noname	0.0892
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310	C93    16.6044    36.1045    12.6961	C.3	1	noname	0.1256
311	C94    12.9938    36.8167    12.8867	C.3	1	noname	0.0892
312	C95     8.1719    25.1258    -6.3878	C.3	1	noname	0.0892
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314	C97    11.0524    27.2948    -5.1893	C.3	1	noname	0.1037
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316	C99    12.1545    30.4331    14.8354	C.2	1	noname	0.0396
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319	C102    11.5770    27.6268    -3.7760	C.3	1	noname	0.1102
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321	C104    -0.7106    27.6166   -10.6889	C.2	1	noname	-0.0205
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323	C106     5.7211    30.4355    -0.7375	C.2	1	noname	-0.0377
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451	H30    -0.9178    39.0531    16.2411	H	1	noname	0.0642
452	H31     3.5922    29.7529     0.7037	H	1	noname	0.0788
453	H32    -6.7074    31.6227    -2.3564	H	1	noname	0.0788
454	H33     6.5118    37.8944    12.9756	H	1	noname	0.0335
455	H34     7.7103    37.1819    14.0628	H	1	noname	0.0335
456	H35    11.3387    32.2636    16.8781	H	1	noname	0.0824
457	H36     1.0792    41.0144    14.9879	H	1	noname	0.0656
458	H37    -0.6532    31.4905    13.4199	H	1	noname	0.0642
459	H38     3.2984    32.2479     9.6387	H	1	noname	0.0642
460	H39     7.5331    39.8341    13.4287	H	1	noname	0.0788
461	H40    -3.5425    27.7374     9.6939	H	1	noname	0.0642
462	H41    -3.5055    28.9481    11.4595	H	1	noname	0.0642
463	H42   -12.5857    23.9911     5.2325	H	1	noname	0.0642
464	H43    -7.7801    27.4226     6.4401	H	1	noname	0.0642
465	H44     0.8538    33.6188    14.4125	H	1	noname	0.0656
466	H45   -14.9231    23.2807     3.3690	H	1	noname	0.0656
467	H46    -2.0321    26.7373     7.4154	H	1	noname	0.0656
468	H47    -1.6543    40.8392    17.5843	H	1	noname	0.0335
469	H48    -0.3342    41.8742    17.1895	H	1	noname	0.0335
470	H49     5.1124    30.3437     8.0731	H	1	noname	0.0656
471	H50    -3.3428    31.8239    12.5044	H	1	noname	0.0656
472	H51    -9.8200    25.1639     6.6867	H	1	noname	0.0656
473	H52    -1.3026    42.6886    15.3735	H	1	noname	0.0788
474	H53    -1.8809    33.0475    11.5463	H	1	noname	0.0335
475	H54    -0.3397    32.2630    11.1259	H	1	noname	0.0335
476	H55     2.3935    34.2129    16.3940	H	1	noname	0.0642
477	H56     5.4060    33.0894    10.5348	H	1	noname	0.0335
478	H57     6.2973    31.7343     9.9366	H	1	noname	0.0335
479	H58    -4.9866    25.2999     8.9173	H	1	noname	0.0335
480	H59    -4.6936    25.9027    10.4761	H	1	noname	0.0335
481	H60    -2.7894    28.3607    13.6721	H	1	noname	0.0335
482	H61    -2.1963    29.9515    14.0027	H	1	noname	0.0335
483	H62    -1.9457    31.9163     6.0538	H	1	noname	0.0642
484	H63   -15.4499    25.0880     5.1116	H	1	noname	0.0335
485	H64   -14.3551    25.3012     6.4403	H	1	noname	0.0335
486	H65    -7.4731    25.0336     8.2949	H	1	noname	0.0335
487	H66    -6.2811    26.0667     7.4772	H	1	noname	0.0335
488	H67    -6.5589    33.1707     9.1349	H	1	noname	0.0642
489	H68     0.7492    36.6608    17.1923	H	1	noname	0.0656
490	H69    -0.9418    34.9754    12.3586	H	1	noname	0.0788
491	H70     6.7611    32.9145     8.0908	H	1	noname	0.0788
492	H71    -3.5303    23.7087     9.1561	H	1	noname	0.0788
493	H72    -4.1508    30.6972    14.7221	H	1	noname	0.0788
494	H73    -0.1763    30.2793     7.6739	H	1	noname	0.0656
495	H74    -7.3891    23.5740     6.5177	H	1	noname	0.0788
496	H75    -6.9717    31.4869     6.6350	H	1	noname	0.0656
497	H76   -16.1696    23.2138     6.1062	H	1	noname	0.0788
498	H77   -10.7028    26.5647     0.6874	H	1	noname	0.0604
499	H78    -9.1194    26.8411     1.4529	H	1	noname	0.0604
500	H79     3.4909    36.9692    16.6011	H	1	noname	0.0335
501	H80     4.2930    35.4641    16.7061	H	1	noname	0.0335
502	H81    -2.1456    30.3879     4.3884	H	1	noname	0.0335
503	H82    -0.6006    31.0850     3.8689	H	1	noname	0.0335
504	H83    -6.5056    33.9079     6.1397	H	1	noname	0.0335
505	H84    -6.3060    35.0697     7.4188	H	1	noname	0.0335
506	H85    -7.2791    32.1221     2.5475	H	1	noname	0.0604
507	H86    -7.2389    31.4846     4.2064	H	1	noname	0.0604
508	H87     3.0556    37.0724    18.7372	H	1	noname	0.0788
509	H88     0.8910    30.3308    -3.7031	H	1	noname	0.0604
510	H89     2.6498    30.1459    -3.7975	H	1	noname	0.0604
511	H90    -2.3505    30.9517    -0.6923	H	1	noname	0.0604
512	H91    -2.4615    32.2119     0.5168	H	1	noname	0.0604
513	H92     0.5986    29.2765     5.3419	H	1	noname	0.0788
514	H93    -8.7679    34.4422     6.4951	H	1	noname	0.0788
515	H94     6.4962    27.0699    -5.3680	H	1	noname	0.0643
516	H95     4.3060    28.4016    -8.8711	H	1	noname	0.0604
517	H96     4.6639    30.1007    -9.2058	H	1	noname	0.0604
518	H97     7.0106    32.7315    15.5244	H	1	noname	0.0604
519	H98     7.7115    33.1637    13.9546	H	1	noname	0.0604
520	H99     4.7804    40.4438    16.7306	H	1	noname	0.0604
521	H100     4.9159    38.7901    17.3188	H	1	noname	0.0604
522	H101     6.5854    25.2897    -7.8547	H	1	noname	0.0656
523	H102     4.2530    26.7231    -7.4044	H	1	noname	0.0335
524	H103     4.1138    27.2076    -5.7072	H	1	noname	0.0335
525	H104    -0.2665    38.6851    13.6467	H	1	noname	0.0604
526	H105     1.2196    39.5121    13.1762	H	1	noname	0.0604
527	H106   -13.6315    21.3068     2.8187	H	1	noname	0.0604
528	H107   -12.3079    21.8015     3.9017	H	1	noname	0.0604
529	H108    15.1123    36.8051    14.7880	H	1	noname	0.0642
530	H109    14.0478    35.0277    12.4617	H	1	noname	0.0656
531	H110     1.6631    31.2750    14.0007	H	1	noname	0.0604
532	H111     3.0160    32.6398    13.9522	H	1	noname	0.0604
533	H112    -0.5698    27.9101     8.7157	H	1	noname	0.0604
534	H113    -0.1802    26.3258     9.2714	H	1	noname	0.0604
535	H114     4.0662    24.5714    -6.9147	H	1	noname	0.0788
536	H115     2.6357    29.8555     7.8408	H	1	noname	0.0604
537	H116     3.5164    30.2106     6.3540	H	1	noname	0.0604
538	H117    -4.6030    30.6959     9.9935	H	1	noname	0.0604
539	H118    -5.2698    32.1117    10.8446	H	1	noname	0.0604
540	H119   -10.4837    27.4619     5.8199	H	1	noname	0.0604
541	H120    -9.3558    27.2407     4.4703	H	1	noname	0.0604
542	H121    -0.8692    35.0101    18.0107	H	1	noname	0.0604
543	H122     0.2522    33.6793    17.6560	H	1	noname	0.0604
544	H123    15.9841    34.1536    13.4577	H	1	noname	0.0335
545	H124    16.8856    35.0515    14.5948	H	1	noname	0.0335
546	H125    -2.2274    29.3167     8.6611	H	1	noname	0.0604
547	H126    -2.2847    31.0000     8.4970	H	1	noname	0.0604
548	H127    -7.9199    31.0706     9.5045	H	1	noname	0.0604
549	H128    -6.4521    30.3380     8.8189	H	1	noname	0.0604
550	H129    17.0514    35.4831    11.9106	H	1	noname	0.0788
551	H130    12.7672    37.0312    11.8378	H	1	noname	0.0604
552	H131    13.1418    37.7496    13.4370	H	1	noname	0.0604
553	H132     8.2871    24.0420    -6.4827	H	1	noname	0.0604
554	H133     8.3172    25.3786    -5.3365	H	1	noname	0.0604
555	H134    11.6716    27.8295    -5.9184	H	1	noname	0.0642
556	H135     9.2203    28.1306    -6.0676	H	1	noname	0.0338
557	H136     9.0041    27.3527    -4.4912	H	1	noname	0.0338
558	H137    -6.0943    22.4352     2.6156	H	1	noname	0.1016
559	H138    11.0830    26.9940    -3.0271	H	1	noname	0.0656
560	H139     9.1837    29.3879    -3.6800	H	1	noname	0.0824
561	H140    -1.2730    27.4058    -9.8647	H	1	noname	0.1016
562	H141   -10.9386    34.3886     4.6178	H	1	noname	0.0762
563	H142     5.6894    29.4108    -0.7433	H	1	noname	0.0762
564	H143    -5.4400    30.6032    -4.3194	H	1	noname	0.0762
565	H144    13.5231    33.1451    14.2526	H	1	noname	0.1016
566	H145     9.2471    41.1407    14.2311	H	1	noname	0.0762
567	H146    -2.8232    42.4866    13.3102	H	1	noname	0.0762
568	H147     1.3442    33.5449     9.9051	H	1	noname	0.0762
569	H148     6.0529    34.3686     6.1029	H	1	noname	0.0762
570	H149    -1.1413    22.9451     9.5923	H	1	noname	0.0762
571	H150    -6.5428    30.7294    15.1023	H	1	noname	0.0762
572	H151    -4.9487    23.4011     6.9562	H	1	noname	0.0762
573	H152    18.4630    36.4981    17.4112	H	1	noname	0.0656
574	H153    19.2079    33.5138    17.0082	H	1	noname	0.0630
575	H154   -15.9335    21.0480     7.2673	H	1	noname	0.0759
576	H155    20.8403    35.9569    16.1842	H	1	noname	0.0338
577	H156    21.3750    34.2988    16.5634	H	1	noname	0.0338
578	H157    20.9217    36.6226    18.3370	H	1	noname	0.0824
579	H158     3.0307    36.2138    21.0704	H	1	noname	0.0759
580	H159     0.2676    26.7521     5.4021	H	1	noname	0.0759
581	H160    13.6238    28.1206    -4.3216	H	1	noname	0.0591
582	H161    13.3901    27.7738    -2.5978	H	1	noname	0.0591
583	H162   -10.7668    33.8259     8.1236	H	1	noname	0.0759
584	H163   -11.3773    35.8121     0.1471	H	1	noname	0.1418
585	H164     5.8960    34.1247    -0.7918	H	1	noname	0.1418
586	H165    -6.1767    26.4876    -2.1460	H	1	noname	0.1418
587	H166    17.0319    33.9807    18.4115	H	1	noname	0.0604
588	H167    16.6701    35.6658    18.8803	H	1	noname	0.0604
589	H168    10.0028    38.2572    17.8897	H	1	noname	0.1418
590	H169     2.7281    23.1994    -5.6685	H	1	noname	0.0759
591	H170    -6.0045    40.9548    16.4302	H	1	noname	0.1418
592	H171    -0.6980    37.6496     8.7472	H	1	noname	0.1418
593	H172     4.3438    37.3381     9.3379	H	1	noname	0.1418
594	H173    -1.9831    24.5937    13.9222	H	1	noname	0.1418
595	H174    -6.4890    26.0271    14.8246	H	1	noname	0.1418
596	H175    -4.2729    25.7151     2.9035	H	1	noname	0.1418
597	H176    17.6265    37.7962    10.9966	H	1	noname	0.0759
598	H177   -15.5062    20.0941     9.4286	H	1	noname	0.0666
599	H178     4.6061    35.6095    22.7830	H	1	noname	0.0666
600	H179   -11.8732    36.8732     5.2054	H	1	noname	0.0282
601	H180   -11.1260    38.0844     4.1603	H	1	noname	0.0282
602	H181   -10.1068    36.9463     5.0447	H	1	noname	0.0282
603	H182     0.5587    24.9797     3.8029	H	1	noname	0.0666
604	H183     7.9979    29.2276    -1.4453	H	1	noname	0.0282
605	H184     8.5409    30.7203    -2.2526	H	1	noname	0.0282
606	H185     8.9404    30.4573    -0.5664	H	1	noname	0.0282
607	H186   -11.9636    34.7878     9.9730	H	1	noname	0.0666
608	H187    -5.9541    29.1540    -6.5906	H	1	noname	0.0282
609	H188    -5.1550    27.5810    -6.4997	H	1	noname	0.0282
610	H189    -4.2256    29.0476    -6.1943	H	1	noname	0.0282
611	H190    -1.8939    24.0883    -1.8623	H	1	noname	0.1400
612	H191    10.9863    42.7760    15.5522	H	1	noname	0.0282
613	H192    11.9145    41.6736    14.5076	H	1	noname	0.0282
614	H193    12.3377    41.8489    16.2148	H	1	noname	0.0282
615	H194     9.8326    30.0020    -7.1162	H	1	noname	0.1016
616	H195     1.4741    27.7974   -15.5820	H	1	noname	0.1400
617	H196    -4.8800    42.1992    11.5285	H	1	noname	0.0282
618	H197    -6.3881    42.7969    12.2269	H	1	noname	0.0282
619	H198    -4.9516    43.8242    12.2462	H	1	noname	0.0282
620	H199    12.8657    26.9188    13.9292	H	1	noname	0.1400
621	H200     1.5715    22.5702    -3.6562	H	1	noname	0.0666
622	H201     2.9026    33.7597     8.1019	H	1	noname	0.0282
623	H202     1.6867    34.2618     6.9074	H	1	noname	0.0282
624	H203     2.9997    35.3224     7.2845	H	1	noname	0.0282
625	H204     5.0155    36.1665     4.3528	H	1	noname	0.0282
626	H205     5.3828    37.8141     4.8450	H	1	noname	0.0282
627	H206     6.6850    36.6337     4.7500	H	1	noname	0.0282
628	H207     0.3852    20.9672    11.9324	H	1	noname	0.0282
629	H208     0.6655    21.5673    10.2978	H	1	noname	0.0282
630	H209     1.5280    22.3037    11.6479	H	1	noname	0.0282
631	H210    -9.6814    29.4583    15.6576	H	1	noname	0.0282
632	H211    -8.6582    30.7899    16.1979	H	1	noname	0.0282
633	H212    -8.8637    29.3806    17.2378	H	1	noname	0.0282
634	H213    -2.7355    21.9548     6.1082	H	1	noname	0.0282
635	H214    -2.1944    23.3166     7.0516	H	1	noname	0.0282
636	H215    -1.4929    23.0663     5.4871	H	1	noname	0.0282
637	H216    19.2854    39.5182    11.2811	H	1	noname	0.0666
638	H217    18.2209    34.0149    15.2378	H	1	noname	0.2105
639	H218    14.4803    26.0613    -3.7063	H	1	noname	0.2101
640	H219    23.1649    34.1452    17.8326	H	1	noname	0.1016
641	H220    -2.9036    24.9218    -3.5052	H	1	noname	0.1268
642	H221    -4.3486    24.3548    -3.8206	H	1	noname	0.1268
643	H222     3.2391    30.3420   -14.0310	H	1	noname	0.1268
644	H223     2.4679    30.1322   -15.3986	H	1	noname	0.1268
645	H224     9.8345    27.6176    15.4564	H	1	noname	0.1268
646	H225    10.3402    26.8070    14.1930	H	1	noname	0.1268
647	H226   -13.2617    21.7495    11.6737	H	1	noname	0.1257
648	H227   -14.7165    21.1276    11.7496	H	1	noname	0.1257
649	H228     7.6596    33.9706    21.8690	H	1	noname	0.1257
650	H229     6.5366    33.7945    22.9722	H	1	noname	0.1257
651	H230    -0.2204    25.5836     0.3550	H	1	noname	0.1257
652	H231    -0.5293    24.4607     1.4286	H	1	noname	0.1257
653	H232   -10.2408    36.9449    12.2553	H	1	noname	0.1257
654	H233   -11.6057    36.9631    11.4516	H	1	noname	0.1257
655	H234    11.4133    35.1809    -3.7902	H	1	noname	0.1400
656	H235     2.2979    24.2912    -0.5992	H	1	noname	0.1257
657	H236     1.0007    23.8673    -1.4031	H	1	noname	0.1257
658	H237    20.7009    40.0826    14.5219	H	1	noname	0.1257
659	H238    20.1791    40.9447    13.2998	H	1	noname	0.1257
660	H239    22.2864    34.6656    24.1040	H	1	noname	0.1400
661	H240    11.2384    32.9611    -1.1397	H	1	noname	0.1268
662	H241    10.7082    34.4167    -1.4703	H	1	noname	0.1268
663	H242    20.3601    35.5560    24.4756	H	1	noname	0.1268
664	H243    19.2103    35.2248    23.4376	H	1	noname	0.1268
665	H244     5.7716    29.0006    -4.5526	H	1	noname	0.1179
666	H245   -11.8200    28.5794    -1.0027	H	1	noname	0.2259
667	H246    -5.1204    31.5134     4.3717	H	1	noname	0.2259
668	H247    -1.0103    28.3283    -4.6317	H	1	noname	0.2259
669	H248    -0.4291    34.4209     0.2724	H	1	noname	0.2259
670	H249   -10.0817    20.6352     1.3346	H	1	noname	0.2259
671	H250     5.1217    33.0440    14.6619	H	1	noname	0.2259
672	H251     2.1316    39.8941    19.6800	H	1	noname	0.2259
673	H252     5.7098    31.1383    12.5610	H	1	noname	0.2259
674	H253     0.3723    27.5171    12.8019	H	1	noname	0.2259
675	H254   -13.8546    27.5049     5.2419	H	1	noname	0.2259
676	H255    11.2396    38.0789    15.0220	H	1	noname	0.2259
677	H256    -1.5647    31.2243    15.9553	H	1	noname	0.2259
678	H257    -0.5171    36.6818    14.7851	H	1	noname	0.2259
679	H258    -6.2133    28.2592     6.0753	H	1	noname	0.2259
680	H259    -7.0758    27.0948    10.0986	H	1	noname	0.2259
681	H260     1.5005    31.0565     3.6803	H	1	noname	0.2259
682	H261    -3.9214    35.0207    10.2482	H	1	noname	0.2259
683	H262    11.7497    23.6122    -6.7987	H	1	noname	0.2259
684	H263    15.1272    32.7668    16.6079	H	1	noname	0.2259
@<TRIPOS>BOND
1	1	21	2
2	2	22	2
3	3	23	2
4	4	24	2
5	5	25	2
6	6	26	2
7	7	27	2
8	8	28	2
9	9	29	2
10	10	30	2
11	11	31	2
12	12	32	2
13	13	33	2
14	14	34	2
15	15	35	2
16	16	36	2
17	17	37	2
18	18	38	1
19	18	665	1
20	19	39	2
21	20	40	2
22	21	56	1
23	21	71	1
24	21	101	1
25	22	58	1
26	22	75	1
27	22	102	1
28	23	57	1
29	23	76	1
30	23	103	1
31	24	59	1
32	24	78	1
33	24	104	1
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218	226	155	1
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294	181	388	2
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315	189	385	1
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325	192	611	1
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328	194	378	1
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330	194	616	1
331	195	381	1
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333	195	620	1
334	196	360	1
335	196	407	2
336	197	361	1
337	197	409	2
338	198	362	1
339	198	410	2
340	199	372	1
341	199	414	2
342	200	379	1
343	200	416	2
344	201	399	2
345	201	411	1
346	202	389	1
347	202	419	2
348	203	388	1
349	203	641	1
350	203	642	1
351	204	396	1
352	204	643	1
353	204	644	1
354	205	398	1
355	205	645	1
356	205	646	1
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361	207	417	1
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386	216	661	1
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389	217	663	1
390	217	664	1
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392	218	221	1
393	218	422	1
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396	220	225	1
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399	221	226	1
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405	223	227	1
406	223	236	1
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413	226	431	1
414	227	286	1
415	227	432	1
416	228	291	1
417	228	433	1
418	229	287	1
419	229	434	1
420	230	234	1
421	230	240	1
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430	233	439	1
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446	240	450	1
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448	241	256	1
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452	244	249	1
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455	245	456	1
456	246	296	1
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458	247	254	1
459	247	262	1
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461	248	258	1
462	248	264	1
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471	252	255	1
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474	253	260	1
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509	267	282	1
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511	268	279	1
512	268	484	1
513	268	485	1
514	269	277	1
515	269	486	1
516	269	487	1
517	270	278	1
518	270	283	1
519	270	488	1
520	271	306	1
521	271	489	1
522	272	490	1
523	273	491	1
524	274	492	1
525	275	493	1
526	276	308	1
527	276	494	1
528	277	495	1
529	278	309	1
530	278	496	1
531	279	497	1
532	280	498	1
533	280	499	1
534	281	285	1
535	281	500	1
536	281	501	1
537	282	288	1
538	282	502	1
539	282	503	1
540	283	289	1
541	283	504	1
542	283	505	1
543	284	506	1
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545	285	508	1
546	286	509	1
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570	298	299	1
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580	303	536	1
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585	305	541	1
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595	310	550	1
596	311	551	1
597	311	552	1
598	312	553	1
599	312	554	1
600	313	331	2
601	314	317	1
602	314	319	1
603	314	555	1
604	315	334	2
605	316	343	2
606	317	320	1
607	317	556	1
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610	319	358	1
611	319	559	1
612	320	560	1
613	321	561	1
614	322	351	2
615	322	562	1
616	323	353	2
617	323	563	1
618	324	354	2
619	324	564	1
620	326	565	1
621	329	357	2
622	329	566	1
623	331	375	1
624	332	363	2
625	332	567	1
626	334	378	1
627	335	365	2
628	335	568	1
629	336	366	2
630	336	569	1
631	337	367	2
632	337	570	1
633	338	368	2
634	338	571	1
635	339	369	2
636	339	572	1
637	343	381	1
638	345	347	1
639	345	364	1
640	345	573	1
641	347	349	1
642	347	574	1
643	348	386	2
644	348	575	1
645	349	350	1
646	349	576	1
647	349	577	1
648	350	578	1
649	351	371	1
650	351	391	1
651	353	373	1
652	353	393	1
653	354	374	1
654	354	395	1
655	355	390	2
656	355	579	1
657	356	392	2
658	356	580	1
659	357	376	1
660	357	397	1
661	358	581	1
662	358	582	1
663	359	394	2
664	359	583	1
665	363	380	1
666	363	401	1
667	364	587	1
668	364	588	1
669	365	382	1
670	365	403	1
671	366	383	1
672	366	404	1
673	367	384	1
674	367	405	1
675	368	385	1
676	368	406	1
677	369	387	1
678	369	408	1
679	370	402	2
680	370	590	1
681	377	412	2
682	377	597	1
683	386	400	1
684	386	598	1
685	389	411	2
686	390	407	1
687	390	599	1
688	391	600	1
689	391	601	1
690	391	602	1
691	392	409	1
692	392	603	1
693	393	604	1
694	393	605	1
695	393	606	1
696	394	410	1
697	394	607	1
698	395	608	1
699	395	609	1
700	395	610	1
701	397	612	1
702	397	613	1
703	397	614	1
704	399	615	1
705	401	617	1
706	401	618	1
707	401	619	1
708	402	414	1
709	402	621	1
710	403	622	1
711	403	623	1
712	403	624	1
713	404	625	1
714	404	626	1
715	404	627	1
716	405	628	1
717	405	629	1
718	405	630	1
719	406	631	1
720	406	632	1
721	406	633	1
722	408	634	1
723	408	635	1
724	408	636	1
725	411	418	1
726	412	416	1
727	412	637	1
728	413	417	2
729	415	640	1
730	417	420	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
