@<TRIPOS>MOLECULE
71587877
782 828 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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221	N64     5.7738     9.9214    -0.1223	N.3	1	noname	-0.1233
222	N65    -1.0690    34.9140    -5.6068	N.3	1	noname	-0.1300
223	N66     3.9266    17.9921     1.4172	N.2	1	noname	-0.2576
224	N67     8.9034    30.4180     4.0159	N.2	1	noname	-0.1575
225	N68     6.2535    17.7603     1.2357	N.3	1	noname	-0.1031
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227	N70    -9.3044    19.8942    -6.7420	N.3	1	noname	-0.1300
228	N71    10.3304    31.2501     5.6071	N.3	1	noname	-0.1300
229	C1   -11.0008    27.1534   -11.5278	C.3	1	noname	0.1299
230	C2   -12.4025    26.5752   -11.2226	C.3	1	noname	0.1306
231	C3     6.4404     2.9947    -1.5006	C.3	1	noname	0.1299
232	C4     7.9228     2.9235    -1.9124	C.3	1	noname	0.1306
233	C5   -11.1068    27.4910   -13.0492	C.3	1	noname	0.1141
234	C6     6.5158     2.3639    -0.0994	C.3	1	noname	0.1141
235	C7   -13.2653    27.3277   -12.2467	C.3	1	noname	0.1593
236	C8     8.4604     1.6790    -1.1381	C.3	1	noname	0.1593
237	C9    -6.6534    27.7987    -7.1611	C.3	1	noname	0.1296
238	C10     2.0913     4.9978    -0.1158	C.3	1	noname	0.1296
239	C11    -6.2108    26.8456    -6.0199	C.3	1	noname	0.1278
240	C12     1.2997     4.4519    -1.3279	C.3	1	noname	0.1278
241	C13    -8.1333    27.3679    -7.1938	C.3	1	noname	0.1138
242	C14     1.3377     6.3199     0.1424	C.3	1	noname	0.1138
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245	C17    -1.2501    10.4370     0.7381	C.3	1	noname	0.1299
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249	C21    -6.7552    24.3692   -17.3248	C.3	1	noname	0.1278
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252	C24    -5.7683    25.0253   -15.3064	C.3	1	noname	0.1138
253	C25     4.1881     3.2126    -6.1815	C.3	1	noname	0.1138
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256	C28   -10.1799    26.6467   -13.9601	C.3	1	noname	0.0893
257	C29    -5.5277    23.4742   -16.9586	C.3	1	noname	0.1517
258	C30     2.2299     2.4184    -7.1690	C.3	1	noname	0.1517
259	C31    -9.0040    28.0094    -8.2756	C.3	1	noname	0.0893
260	C32    -0.9137    30.6314    -9.8204	C.3	1	noname	0.1296
261	C33    -2.3469    30.0935    -9.6299	C.3	1	noname	0.1138
262	C34    -0.9600    30.9177   -11.3382	C.3	1	noname	0.1278
263	C35     1.7509     7.5336    -0.7493	C.3	1	noname	0.0893
264	C36    -2.4437    31.3251   -11.5686	C.3	1	noname	0.1517
265	C37     4.7542     4.3234    -5.2577	C.3	1	noname	0.0893
266	C38    -2.2644    12.6100    -0.3658	C.3	1	noname	0.0893
267	C39    -5.8445    25.0913   -13.7884	C.3	1	noname	0.0893
268	C40    -2.8969    30.0353    -8.2051	C.3	1	noname	0.0893
269	C41   -14.8631    25.5992   -13.0630	C.2	1	noname	0.0402
270	C42     9.5154    -0.5474    -1.4871	C.2	1	noname	0.0402
271	C43    -3.4581    25.8129   -11.1698	C.3	1	noname	0.1295
272	C44   -12.2651    26.0098    -8.8799	C.3	1	noname	0.0708
273	C45   -15.7543    27.3241   -12.1628	C.2	1	noname	-0.0199
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276	C48    -2.5303    24.7239   -10.5985	C.3	1	noname	0.1278
277	C49    -2.6461    26.1979   -12.4336	C.3	1	noname	0.1126
278	C50    -1.1350    25.2975   -10.9738	C.3	1	noname	0.1517
279	C51     4.6944     7.6098   -10.8077	C.3	1	noname	0.1129
280	C52    -6.5603    28.4549    -4.1063	C.3	1	noname	0.0708
281	C53     3.4160     7.8589    -9.9775	C.3	1	noname	0.1130
282	C54     0.8519     2.1404    -2.1725	C.3	1	noname	0.0708
283	C55    -5.6566    23.5476    -6.1239	C.2	1	noname	-0.0370
284	C56     3.0064     9.2780   -10.4364	C.3	1	noname	0.1294
285	C57    -5.8846    24.3824    -8.2897	C.2	1	noname	0.0303
286	C58    -2.0528     6.3147    -1.8619	C.2	1	noname	-0.0472
287	C59   -16.2454    25.4635   -13.0894	C.2	1	noname	0.0955
288	C60     3.7053     9.4135   -11.8166	C.3	1	noname	0.1592
289	C61    10.1932    -1.1959    -2.5138	C.2	1	noname	0.0955
290	C62    -4.0990     7.7473     2.6310	C.2	1	noname	0.1238
291	C63    -0.9343     5.0064    -3.4262	C.2	1	noname	0.1029
292	C64    -0.0925     9.4801     3.7801	C.3	1	noname	0.0708
293	C65    -5.4382     8.9650     1.4621	C.2	1	noname	-0.0362
294	C66    -0.6862    12.0904    -3.3947	C.3	1	noname	0.1034
295	C67    -6.1359    25.0461   -19.5678	C.3	1	noname	0.0708
296	C68     5.1163     6.1287   -10.9435	C.3	1	noname	0.0892
297	C69    -4.9060    21.3253   -17.9279	C.2	1	noname	-0.0472
298	C70     3.2359     0.0029    -9.0509	C.3	1	noname	0.0708
299	C71     2.9545    30.9065   -12.7688	C.3	1	noname	0.1114
300	C72     0.7190    12.5999    -3.6874	C.3	1	noname	0.1111
301	C73    -0.1124     2.5367    -6.6132	C.2	1	noname	-0.0472
302	C74     4.1191    31.8970   -12.6751	C.3	1	noname	0.1037
303	C75   -12.8021    26.4113    -7.4956	C.3	1	noname	0.0698
304	C76    -0.9056    11.2424    -4.6441	C.3	1	noname	0.0179
305	C77    10.5804     5.5505    -1.6011	C.3	1	noname	0.0698
306	C78    -6.6558    21.3616   -16.3520	C.2	1	noname	0.1029
307	C79    -5.1822    22.3280    -6.6430	C.2	1	noname	0.0438
308	C80     0.5365     3.7134    -8.5431	C.2	1	noname	0.1029
309	C81     0.5107    10.9021    -5.1685	C.3	1	noname	0.1256
310	C82     4.0760    32.4574   -14.1078	C.3	1	noname	0.0207
311	C83    -5.2759     7.0485     2.3965	C.2	1	noname	0.0254
312	C84    -0.5211    29.9181   -13.5307	C.3	1	noname	0.0708
313	C85    -2.9746     6.7429    -2.8489	C.2	1	noname	-0.0027
314	C86     2.5650    32.5504   -14.3935	C.3	1	noname	0.1330
315	C87    -3.0523    27.5176   -13.1005	C.3	1	noname	0.0722
316	C88    -2.6633    32.9548   -13.3399	C.2	1	noname	-0.0472
317	C89    -7.3987    28.6037    -2.8374	C.3	1	noname	0.0698
318	C90     1.4701     0.7460    -2.1553	C.3	1	noname	0.0698
319	C91    -2.5138    33.7031   -11.0968	C.2	1	noname	0.1029
320	C92     2.4802    30.2872   -11.4396	C.3	1	noname	0.0892
321	C93   -16.8108    24.3178   -13.6729	C.2	1	noname	0.0884
322	C94    10.7326    -2.4727    -2.2958	C.2	1	noname	0.0884
323	C95    -4.7790    22.3247    -7.9918	C.2	1	noname	0.0638
324	C96    -5.0271    19.9249   -18.0763	C.2	1	noname	-0.0027
325	C97     0.1009    10.0951     5.1553	C.3	1	noname	0.0698
326	C98    -1.4552     2.9167    -6.7801	C.2	1	noname	-0.0027
327	C99    -2.8344     6.1512    -4.1196	C.2	1	noname	-0.0324
328	C100    -5.5927    26.2400   -20.3628	C.3	1	noname	0.0698
329	C101     1.4493    13.0671    -2.4412	C.3	1	noname	0.0892
330	C102     4.0799    -1.2930    -9.0025	C.3	1	noname	0.0698
331	C103   -14.6150    23.5181   -14.0723	C.2	1	noname	-0.0771
332	C104     9.8001    -2.4132    -0.1196	C.2	1	noname	-0.0771
333	C105    -2.7195    34.2761   -13.8174	C.2	1	noname	-0.0027
334	C106     0.1082    28.7125   -14.2539	C.3	1	noname	0.0698
335	C107    -5.3315    21.0876    -5.8425	C.3	1	noname	-0.0339
336	C108    -6.0676    19.3200   -17.3368	C.2	1	noname	-0.0324
337	C109    -5.4018     5.7702     2.9691	C.2	1	noname	0.0729
338	C110    -4.0411     7.7152    -2.5261	C.3	1	noname	-0.0356
339	C111    -1.7495     3.6328    -7.9525	C.2	1	noname	-0.0324
340	C112    -2.0051    22.3555   -10.6675	C.3	1	noname	0.0708
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343	C115     3.7718    15.6752    -3.1479	C.3	1	noname	0.1037
344	C116    -2.7052    35.2773   -12.8222	C.2	1	noname	-0.0324
345	C117    -0.8698    26.6262    -8.8958	C.2	1	noname	0.1029
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534	H76     6.0050     6.0814   -11.5815	H	1	noname	0.0604
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675	H217    -7.8202    20.6856    -0.9125	H	1	noname	0.0788
676	H218    -0.2843    25.8432    -1.1945	H	1	noname	0.0656
677	H219     1.7981    25.5510     2.0042	H	1	noname	0.0642
678	H220     6.8133    26.8713     2.1505	H	1	noname	0.0642
679	H221     3.3931    24.4346     4.3738	H	1	noname	0.0656
680	H222    -2.2962    25.4197    -4.3479	H	1	noname	0.0335
681	H223    -1.3979    26.7078    -3.5013	H	1	noname	0.0335
682	H224     7.6171    26.8620    -0.8088	H	1	noname	0.0656
683	H225     6.6738    13.2129    -5.9173	H	1	noname	0.1016
684	H226     4.2395    13.8711   -14.3189	H	1	noname	0.1062
685	H227     0.6224    28.0300   -17.4362	H	1	noname	0.0529
686	H228    -0.0791    26.9591   -16.2109	H	1	noname	0.0529
687	H229     1.5986    27.5525   -16.0345	H	1	noname	0.0529
688	H230     0.4986    25.6294    -3.9867	H	1	noname	0.0788
689	H231     0.1348    26.0223     3.6879	H	1	noname	0.0335
690	H232     0.9077    25.0688     4.8983	H	1	noname	0.0335
691	H233     5.4603    29.8012    -3.5317	H	1	noname	0.0604
692	H234     6.7142    28.6755    -4.1291	H	1	noname	0.0604
693	H235     9.0842    26.4807     2.7001	H	1	noname	0.0335
694	H236     9.4794    25.8885     1.0667	H	1	noname	0.0335
695	H237     2.1171    26.8524     5.5558	H	1	noname	0.0788
696	H238    10.0953    28.0004     0.4876	H	1	noname	0.0788
697	H239    -1.7699     7.1640    -7.6612	H	1	noname	0.0281
698	H240    -0.4632     6.0442    -7.8826	H	1	noname	0.0281
699	H241    -0.3967     7.5210    -8.7756	H	1	noname	0.0281
700	H242     1.1405    27.8875    -6.1526	H	1	noname	0.1258
701	H243     2.0952    26.5365    -5.9836	H	1	noname	0.1258
702	H244    -5.8530    24.6536    -0.0101	H	1	noname	0.0604
703	H245    -4.2012    24.0388    -0.2148	H	1	noname	0.0604
704	H246     3.0183    37.9949   -17.0350	H	1	noname	0.1400
705	H247    -1.7022    24.4051     0.3348	H	1	noname	0.0604
706	H248    -1.1152    23.0116    -0.5318	H	1	noname	0.0604
707	H249     3.3083    35.7480    -4.8194	H	1	noname	0.0761
708	H250     4.0935    23.8431     1.9953	H	1	noname	0.0604
709	H251     4.4149    25.5708     1.7424	H	1	noname	0.0604
710	H252     5.5484    28.5409     0.6893	H	1	noname	0.0604
711	H253     5.8984    28.5593    -1.0536	H	1	noname	0.0604
712	H254     0.3634    13.2031   -16.3875	H	1	noname	0.1258
713	H255    -0.4991    12.2308   -15.2969	H	1	noname	0.1258
714	H256     5.9918    21.4610    -2.2377	H	1	noname	0.1016
715	H257    -1.1317    17.9835   -11.2212	H	1	noname	0.0529
716	H258    -2.7812    18.5029   -11.6066	H	1	noname	0.0529
717	H259    -1.4279    18.9139   -12.6996	H	1	noname	0.0529
718	H260     1.9189     5.1250    -5.4656	H	1	noname	0.1258
719	H261     0.3788     4.9189    -6.1349	H	1	noname	0.1258
720	H262     3.6556    10.8163    -5.9107	H	1	noname	0.0529
721	H263     3.2861    10.1796    -7.4264	H	1	noname	0.0529
722	H264     4.9226    10.8720    -7.1824	H	1	noname	0.0529
723	H265     4.3267    36.9003   -18.4737	H	1	noname	0.1268
724	H266     3.8743    35.2877   -18.7476	H	1	noname	0.1268
725	H267     5.5930    25.2317    -7.4590	H	1	noname	0.0761
726	H268    -8.2140    18.8243    -2.4948	H	1	noname	0.0761
727	H269     7.7339     9.1218    -1.1678	H	1	noname	0.1400
728	H270    -2.0687    22.9068    -4.2379	H	1	noname	0.0762
729	H271     3.5432    28.8966     4.9871	H	1	noname	0.0762
730	H272    11.5273    28.3228     2.3492	H	1	noname	0.0761
731	H273     0.3810    35.4193    -3.0430	H	1	noname	0.0281
732	H274     0.2972    37.0424    -3.7696	H	1	noname	0.0281
733	H275     1.8266    36.4345    -3.1268	H	1	noname	0.0281
734	H276     1.4493    22.8629    -7.3711	H	1	noname	0.1418
735	H277    -0.2670    30.2952     2.5778	H	1	noname	0.1418
736	H278     1.8776    18.2827     1.4990	H	1	noname	0.1062
737	H279     6.3707     9.4778     0.4995	H	1	noname	0.1268
738	H280     4.8283     9.9406     0.0532	H	1	noname	0.1268
739	H281    -1.7041    34.9021    -6.3501	H	1	noname	0.1258
740	H282    -1.3618    34.7355    -4.6987	H	1	noname	0.1258
741	H283     6.2151    23.8507    -9.2337	H	1	noname	0.0281
742	H284     5.9963    22.1289    -8.9172	H	1	noname	0.0281
743	H285     7.6063    22.8696    -8.7502	H	1	noname	0.0281
744	H286   -10.3721    17.7929    -4.9724	H	1	noname	0.0281
745	H287    -9.2103    17.1502    -3.8097	H	1	noname	0.0281
746	H288    -8.7567    17.2821    -5.5127	H	1	noname	0.0281
747	H289    -1.8054    19.8818    -6.5038	H	1	noname	0.0282
748	H290    -2.7202    21.0028    -5.4639	H	1	noname	0.0282
749	H291    -1.4944    20.0834    -4.6992	H	1	noname	0.0282
750	H292     3.1427    32.2998     5.2252	H	1	noname	0.0282
751	H293     4.3951    31.0400     5.1125	H	1	noname	0.0282
752	H294     4.0169    32.0482     3.6952	H	1	noname	0.0282
753	H295     6.0600    17.0907     1.9103	H	1	noname	0.1258
754	H296     6.6640    17.3352     0.4665	H	1	noname	0.1258
755	H297    12.5635    29.3076     5.4737	H	1	noname	0.0281
756	H298    13.1665    29.0001     3.8275	H	1	noname	0.0281
757	H299    12.9752    30.6720     4.4074	H	1	noname	0.0281
758	H300     7.3267    20.7350    -5.5338	H	1	noname	0.1258
759	H301     6.6710    20.6526    -6.9733	H	1	noname	0.1258
760	H302    -9.2650    20.7142    -7.2586	H	1	noname	0.1258
761	H303   -10.2208    19.5785    -6.7057	H	1	noname	0.1258
762	H304     9.4897    31.6760     5.8368	H	1	noname	0.1258
763	H305    10.6371    30.7152     6.3559	H	1	noname	0.1258
764	H306    -2.0500    19.5472     0.7885	H	1	noname	0.1179
765	H307    -9.1008    29.4427   -12.6472	H	1	noname	0.2259
766	H308     1.3690     1.5217     1.1950	H	1	noname	0.2259
767	H309     7.4771     5.9236    -3.0212	H	1	noname	0.2259
768	H310   -10.9590    24.8131   -16.5404	H	1	noname	0.2259
769	H311     1.2209     8.4175     2.0298	H	1	noname	0.2259
770	H312    -3.2606    29.5017    -5.7511	H	1	noname	0.2259
771	H313     5.3190     2.2726   -10.6786	H	1	noname	0.2259
772	H314    -8.0658    26.4712   -11.7472	H	1	noname	0.2259
773	H315     1.0296    31.1154    -7.1546	H	1	noname	0.2259
774	H316    -4.7340    12.0372    -3.6104	H	1	noname	0.2259
775	H317     7.6817    33.6853   -12.9260	H	1	noname	0.2259
776	H318    -0.4472    15.5255    -3.4829	H	1	noname	0.2259
777	H319     3.6175    20.4259    -6.6364	H	1	noname	0.2259
778	H320     7.2370    32.7186    -3.9776	H	1	noname	0.2259
779	H321     2.4541    25.6390    -0.1253	H	1	noname	0.2259
780	H322    -3.6900    27.6913    -3.1363	H	1	noname	0.2259
781	H323    -1.1569    23.5064     3.5932	H	1	noname	0.2259
782	H324     7.9752    23.4138     3.8599	H	1	noname	0.2259
@<TRIPOS>BOND
1	1	20	2
2	2	21	2
3	3	22	2
4	4	23	2
5	5	24	2
6	6	25	2
7	7	26	2
8	8	27	2
9	9	28	2
10	10	29	2
11	11	30	2
12	12	31	2
13	13	32	2
14	14	33	2
15	15	34	1
16	15	764	1
17	16	35	2
18	17	36	2
19	18	37	2
20	19	38	2
21	20	43	1
22	20	58	1
23	20	75	1
24	21	48	1
25	21	57	1
26	21	78	1
27	22	44	1
28	22	65	1
29	22	81	1
30	23	56	1
31	23	59	1
32	23	84	1
33	24	55	1
34	24	62	1
35	24	85	1
36	25	51	1
37	25	68	1
38	25	86	1
39	26	63	1
40	26	74	1
41	26	93	1
42	27	69	1
43	27	73	1
44	27	97	1
45	28	66	1
46	28	83	1
47	28	99	1
48	29	70	1
49	29	77	1
50	29	104	1
51	30	88	1
52	30	114	1
53	30	124	1
54	31	98	1
55	31	108	1
56	31	126	1
57	32	117	1
58	32	119	1
59	32	141	1
60	33	116	1
61	33	132	1
62	33	143	1
63	34	129	1
64	34	131	1
65	34	145	2
66	35	133	1
67	35	138	1
68	35	146	1
69	36	134	1
70	36	137	1
71	36	147	1
72	37	135	1
73	37	139	1
74	37	148	1
75	38	136	1
76	38	140	1
77	38	150	1
78	39	233	1
79	39	235	1
80	40	234	1
81	40	236	1
82	41	241	1
83	41	243	1
84	42	242	1
85	42	244	1
86	229	43	1
87	231	44	1
88	45	248	1
89	45	250	1
90	230	46	1
91	46	272	1
92	232	47	1
93	47	275	1
94	238	48	1
95	49	252	1
96	49	257	1
97	50	253	1
98	50	258	1
99	237	51	1
100	239	52	1
101	52	280	1
102	240	53	1
103	53	282	1
104	54	261	1
105	54	264	1
106	245	55	1
107	247	56	1
108	57	255	1
109	58	259	1
110	59	256	1
111	246	60	1
112	60	292	1
113	249	61	1
114	61	295	1
115	62	263	1
116	251	63	1
117	254	64	1
118	64	298	1
119	65	265	1
120	260	66	1
121	262	67	1
122	67	312	1
123	68	268	1
124	69	267	1
125	70	266	1
126	71	277	1
127	71	278	1
128	72	279	1
129	72	288	1
130	271	73	1
131	74	296	1
132	75	765	1
133	276	76	1
134	76	340	1
135	294	77	1
136	78	766	1
137	79	300	1
138	79	309	1
139	80	299	1
140	80	314	1
141	81	767	1
142	284	82	1
143	82	348	1
144	83	320	1
145	84	768	1
146	85	769	1
147	86	770	1
148	281	87	1
149	87	576	1
150	302	88	1
151	89	285	2
152	90	303	1
153	90	371	1
154	91	305	1
155	91	374	1
156	92	291	2
157	93	771	1
158	94	317	1
159	94	377	1
160	95	318	1
161	95	378	1
162	96	315	1
163	96	603	1
164	97	772	1
165	98	329	1
166	99	773	1
167	100	306	2
168	101	308	2
169	102	325	1
170	102	384	1
171	103	346	1
172	103	350	1
173	104	774	1
174	105	328	1
175	105	388	1
176	106	319	2
177	107	330	1
178	107	391	1
179	343	108	1
180	109	321	2
181	110	322	2
182	111	323	2
183	112	334	1
184	112	406	1
185	113	354	1
186	113	363	1
187	114	367	1
188	115	370	1
189	115	376	1
190	355	116	1
191	117	365	1
192	118	345	2
193	368	119	1
194	120	361	1
195	120	424	1
196	121	383	1
197	121	393	1
198	122	369	1
199	122	426	1
200	123	386	1
201	123	396	1
202	124	775	1
203	125	397	1
204	125	407	1
205	126	776	1
206	127	400	1
207	127	411	1
208	128	366	2
209	385	129	1
210	130	403	1
211	130	412	1
212	131	387	1
213	132	409	1
214	382	133	1
215	395	134	1
216	398	135	1
217	399	136	1
218	137	415	1
219	138	420	1
220	139	417	1
221	140	419	1
222	141	777	1
223	142	402	2
224	143	778	1
225	144	421	2
226	146	779	1
227	147	780	1
228	148	781	1
229	149	427	2
230	150	782	1
231	151	433	2
232	152	435	2
233	153	436	2
234	154	438	2
235	155	441	2
236	156	451	2
237	157	452	2
238	235	158	1
239	158	269	1
240	158	273	1
241	236	159	1
242	159	270	1
243	159	274	1
244	243	160	1
245	160	283	1
246	160	285	1
247	244	161	1
248	161	286	1
249	161	291	1
250	250	162	1
251	162	290	1
252	162	293	1
253	257	163	1
254	163	297	1
255	163	306	1
256	258	164	1
257	164	301	1
258	164	308	1
259	264	165	1
260	165	316	1
261	165	319	1
262	166	273	2
263	166	287	1
264	167	274	2
265	167	289	1
266	168	269	1
267	168	331	2
268	169	270	1
269	169	332	2
270	278	170	1
271	170	342	1
272	170	345	1
273	171	285	1
274	171	323	1
275	171	559	1
276	288	172	1
277	172	341	1
278	172	347	1
279	173	293	2
280	173	311	1
281	174	291	1
282	174	327	2
283	175	290	2
284	175	353	1
285	176	321	1
286	176	331	1
287	176	572	1
288	177	322	1
289	177	332	1
290	177	573	1
291	314	178	1
292	178	358	1
293	178	364	1
294	309	179	1
295	179	362	1
296	179	366	1
297	180	306	1
298	180	336	2
299	181	308	1
300	181	339	2
301	182	319	1
302	182	344	2
303	183	327	1
304	183	607	1
305	183	608	1
306	184	337	1
307	184	353	2
308	185	331	1
309	185	616	1
310	185	617	1
311	186	332	1
312	186	620	1
313	186	621	1
314	187	347	2
315	187	356	1
316	350	188	1
317	188	392	1
318	188	404	1
319	189	336	1
320	189	628	1
321	189	629	1
322	190	337	1
323	190	635	1
324	190	636	1
325	191	345	1
326	191	373	2
327	192	339	1
328	192	640	1
329	192	641	1
330	193	341	2
331	193	405	1
332	194	344	1
333	194	646	1
334	194	647	1
335	195	364	2
336	195	375	1
337	363	196	1
338	196	418	1
339	196	421	1
340	197	358	1
341	197	414	2
342	198	366	1
343	198	394	2
344	376	199	1
345	199	422	1
346	199	423	1
347	200	380	1
348	200	405	2
349	201	373	1
350	201	700	1
351	201	701	1
352	202	402	1
353	202	414	1
354	202	704	1
355	203	380	1
356	203	712	1
357	203	713	1
358	393	204	1
359	204	430	1
360	204	433	1
361	396	205	1
362	205	432	1
363	205	435	1
364	206	404	2
365	206	416	1
366	407	207	1
367	207	434	1
368	207	436	1
369	411	208	1
370	208	437	1
371	208	438	1
372	209	392	1
373	209	429	2
374	412	210	1
375	210	439	1
376	210	441	1
377	211	394	1
378	211	718	1
379	211	719	1
380	212	414	1
381	212	723	1
382	212	724	1
383	213	423	2
384	213	428	1
385	214	421	1
386	214	431	2
387	215	427	1
388	215	429	1
389	215	727	1
390	216	422	2
391	216	450	1
392	217	436	1
393	217	451	1
394	217	734	1
395	218	438	1
396	218	452	1
397	218	735	1
398	219	433	1
399	219	448	2
400	220	435	1
401	220	449	2
402	221	429	1
403	221	737	1
404	221	738	1
405	222	431	1
406	222	739	1
407	222	740	1
408	223	442	1
409	223	450	2
410	224	441	1
411	224	453	2
412	225	442	1
413	225	753	1
414	225	754	1
415	226	448	1
416	226	758	1
417	226	759	1
418	227	449	1
419	227	760	1
420	227	761	1
421	228	453	1
422	228	762	1
423	228	763	1
424	229	230	1
425	229	233	1
426	229	459	1
427	230	235	1
428	230	460	1
429	231	232	1
430	231	234	1
431	231	461	1
432	232	236	1
433	232	462	1
434	233	256	1
435	233	463	1
436	234	255	1
437	234	464	1
438	235	465	1
439	236	466	1
440	237	239	1
441	237	241	1
442	237	467	1
443	238	240	1
444	238	242	1
445	238	468	1
446	239	243	1
447	239	469	1
448	240	244	1
449	240	470	1
450	241	259	1
451	241	471	1
452	242	263	1
453	242	472	1
454	243	473	1
455	244	474	1
456	245	246	1
457	245	248	1
458	245	475	1
459	246	250	1
460	246	476	1
461	247	249	1
462	247	252	1
463	247	477	1
464	248	266	1
465	248	478	1
466	249	257	1
467	249	479	1
468	250	480	1
469	251	253	1
470	251	254	1
471	251	481	1
472	252	267	1
473	252	482	1
474	253	265	1
475	253	483	1
476	254	258	1
477	254	484	1
478	255	485	1
479	255	486	1
480	256	487	1
481	256	488	1
482	257	489	1
483	258	490	1
484	259	491	1
485	259	492	1
486	260	261	1
487	260	262	1
488	260	493	1
489	261	268	1
490	261	494	1
491	262	264	1
492	262	495	1
493	263	496	1
494	263	497	1
495	264	498	1
496	265	499	1
497	265	500	1
498	266	501	1
499	266	502	1
500	267	503	1
501	267	504	1
502	268	505	1
503	268	506	1
504	269	287	2
505	270	289	2
506	271	276	1
507	271	277	1
508	271	507	1
509	272	303	1
510	272	508	1
511	272	509	1
512	273	510	1
513	274	511	1
514	275	305	1
515	275	512	1
516	275	513	1
517	276	278	1
518	276	514	1
519	277	315	1
520	277	515	1
521	278	516	1
522	279	281	1
523	279	296	1
524	279	517	1
525	280	317	1
526	280	518	1
527	280	519	1
528	281	284	1
529	281	520	1
530	282	318	1
531	282	521	1
532	282	522	1
533	283	307	2
534	283	523	1
535	284	288	1
536	284	524	1
537	286	313	2
538	286	525	1
539	287	321	1
540	288	526	1
541	289	322	1
542	290	311	1
543	292	325	1
544	292	527	1
545	292	528	1
546	293	529	1
547	294	300	1
548	294	304	1
549	294	530	1
550	295	328	1
551	295	531	1
552	295	532	1
553	296	533	1
554	296	534	1
555	297	324	2
556	297	535	1
557	298	330	1
558	298	536	1
559	298	537	1
560	299	302	1
561	299	320	1
562	299	538	1
563	300	329	1
564	300	539	1
565	301	326	2
566	301	540	1
567	302	310	1
568	302	541	1
569	303	542	1
570	303	543	1
571	304	309	1
572	304	544	1
573	304	545	1
574	305	546	1
575	305	547	1
576	307	323	1
577	307	335	1
578	309	548	1
579	310	314	1
580	310	549	1
581	310	550	1
582	311	337	2
583	312	334	1
584	312	551	1
585	312	552	1
586	313	327	1
587	313	338	1
588	314	553	1
589	315	554	1
590	315	555	1
591	316	333	2
592	316	556	1
593	317	557	1
594	317	558	1
595	318	560	1
596	318	561	1
597	320	562	1
598	320	563	1
599	324	336	1
600	324	351	1
601	325	564	1
602	325	565	1
603	326	339	1
604	326	352	1
605	328	566	1
606	328	567	1
607	329	568	1
608	329	569	1
609	330	570	1
610	330	571	1
611	333	344	1
612	333	357	1
613	334	574	1
614	334	575	1
615	335	577	1
616	335	578	1
617	335	579	1
618	338	580	1
619	338	581	1
620	338	582	1
621	340	361	1
622	340	583	1
623	340	584	1
624	341	356	1
625	342	359	2
626	342	585	1
627	343	346	1
628	343	349	1
629	343	586	1
630	346	365	1
631	346	587	1
632	347	588	1
633	348	369	1
634	348	589	1
635	348	590	1
636	349	350	1
637	349	591	1
638	349	592	1
639	350	593	1
640	351	594	1
641	351	595	1
642	351	596	1
643	352	597	1
644	352	598	1
645	352	599	1
646	353	600	1
647	354	355	1
648	354	367	1
649	354	601	1
650	355	360	1
651	355	602	1
652	356	380	2
653	357	604	1
654	357	605	1
655	357	606	1
656	358	375	2
657	359	373	1
658	359	381	1
659	360	363	1
660	360	609	1
661	360	610	1
662	361	611	1
663	361	612	1
664	362	379	2
665	362	614	1
666	363	613	1
667	364	615	1
668	365	618	1
669	365	619	1
670	367	622	1
671	367	623	1
672	368	370	1
673	368	372	1
674	368	624	1
675	369	625	1
676	369	626	1
677	370	387	1
678	370	627	1
679	371	630	1
680	371	631	1
681	371	632	1
682	372	376	1
683	372	633	1
684	372	634	1
685	374	637	1
686	374	638	1
687	374	639	1
688	375	402	1
689	376	642	1
690	377	643	1
691	377	644	1
692	377	645	1
693	378	648	1
694	378	649	1
695	378	650	1
696	379	394	1
697	379	413	1
698	381	651	1
699	381	652	1
700	381	653	1
701	382	383	1
702	382	389	1
703	382	654	1
704	383	409	1
705	383	655	1
706	384	657	1
707	384	658	1
708	384	659	1
709	385	386	1
710	385	390	1
711	385	656	1
712	386	415	1
713	386	660	1
714	387	661	1
715	387	662	1
716	388	663	1
717	388	664	1
718	388	665	1
719	389	393	1
720	389	666	1
721	389	667	1
722	390	396	1
723	390	668	1
724	390	669	1
725	391	670	1
726	391	671	1
727	391	672	1
728	392	416	2
729	393	673	1
730	395	397	1
731	395	401	1
732	395	674	1
733	396	675	1
734	397	417	1
735	397	676	1
736	398	400	1
737	398	408	1
738	398	677	1
739	399	403	1
740	399	410	1
741	399	678	1
742	400	419	1
743	400	679	1
744	401	407	1
745	401	680	1
746	401	681	1
747	403	420	1
748	403	682	1
749	404	683	1
750	405	684	1
751	406	685	1
752	406	686	1
753	406	687	1
754	407	688	1
755	408	411	1
756	408	689	1
757	408	690	1
758	409	691	1
759	409	692	1
760	410	412	1
761	410	693	1
762	410	694	1
763	411	695	1
764	412	696	1
765	413	697	1
766	413	698	1
767	413	699	1
768	415	702	1
769	415	703	1
770	416	427	1
771	417	705	1
772	417	706	1
773	418	425	2
774	418	707	1
775	419	708	1
776	419	709	1
777	420	710	1
778	420	711	1
779	422	428	1
780	423	714	1
781	424	715	1
782	424	716	1
783	424	717	1
784	425	431	1
785	425	440	1
786	426	720	1
787	426	721	1
788	426	722	1
789	428	442	2
790	430	443	2
791	430	725	1
792	432	444	2
793	432	726	1
794	434	445	2
795	434	728	1
796	437	446	2
797	437	729	1
798	439	447	2
799	439	730	1
800	440	731	1
801	440	732	1
802	440	733	1
803	443	448	1
804	443	454	1
805	444	449	1
806	444	455	1
807	445	451	1
808	445	456	1
809	446	452	1
810	446	457	1
811	447	453	1
812	447	458	1
813	450	736	1
814	454	741	1
815	454	742	1
816	454	743	1
817	455	744	1
818	455	745	1
819	455	746	1
820	456	747	1
821	456	748	1
822	456	749	1
823	457	750	1
824	457	751	1
825	457	752	1
826	458	755	1
827	458	756	1
828	458	757	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
