@<TRIPOS>MOLECULE
119058036
576 581 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    11.7187    33.1733     3.6659	S.3	1	noname	-0.0918
2	S2     3.2638    33.0537     7.3518	S.3	1	noname	-0.1652
3	S3     9.8431    32.3150     3.2278	S.3	1	noname	-0.0918
4	O1    28.1417    19.7098    22.8778	O.2	1	noname	-0.2883
5	O2    23.7452    17.0458    22.8990	O.2	1	noname	-0.2899
6	O3    28.9396    17.8189    27.6389	O.2	1	noname	-0.2900
7	O4    21.3917    20.3433    21.6045	O.2	1	noname	-0.2899
8	O5    23.4729    21.8944    25.8011	O.2	1	noname	-0.2978
9	O6    32.4146    17.3882    28.2821	O.2	1	noname	-0.2900
10	O7    18.6698    17.5282    20.5193	O.2	1	noname	-0.2901
11	O8    28.7827    12.7094    24.3394	O.3	1	noname	-0.2189
12	O9    29.0188    11.5820    26.2574	O.2	1	noname	-0.2559
13	O10    34.3534    14.8113    29.7066	O.2	1	noname	-0.2911
14	O11    16.6638    20.4411    17.9255	O.2	1	noname	-0.2900
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16	O13    38.3530    16.7051    31.7660	O.2	1	noname	-0.2903
17	O14    13.4249    17.4420    19.5735	O.2	1	noname	-0.2900
18	O15    11.5410    19.1454    17.5227	O.2	1	noname	-0.2899
19	O16     7.5412    20.1000    16.9873	O.2	1	noname	-0.2902
20	O17    16.3855    24.4418    22.2254	O.3	1	noname	-0.2861
21	O18     9.5043    31.7887    13.9933	O.2	1	noname	-0.2900
22	O19     7.2720    35.0934    12.9586	O.2	1	noname	-0.2900
23	O20    12.6711    34.1720    14.9762	O.2	1	noname	-0.2900
24	O21    10.6310    18.3667    13.6615	O.2	1	noname	-0.2911
25	O22     1.7829    35.1509    11.2257	O.2	1	noname	-0.2900
26	O23     3.8892    33.1015    14.0553	O.2	1	noname	-0.2898
27	O24    -1.6158    35.0268    13.5907	O.2	1	noname	-0.2901
28	O25    15.4083    30.8803    13.7499	O.2	1	noname	-0.2911
29	O26     7.5515    30.1165    11.9729	O.3	1	noname	-0.2184
30	O27     7.2242    29.4590    14.0948	O.2	1	noname	-0.2553
31	O28    13.1404    21.2224    11.2443	O.2	1	noname	-0.2901
32	O29    -1.0713    34.7532     8.7505	O.2	1	noname	-0.2910
33	O30    14.6104    33.6616    10.4863	O.2	1	noname	-0.2901
34	O31    15.9575    17.6517    11.7702	O.2	1	noname	-0.2899
35	O32    18.2227    20.5291     9.5257	O.2	1	noname	-0.2900
36	O33    -3.4676    37.9168     5.4337	O.3	1	noname	-0.3941
37	O34    21.4845    17.8409     9.2426	O.2	1	noname	-0.2902
38	O35    -0.6996    38.5337     6.8430	O.2	1	noname	-0.2893
39	O36    14.1785    20.2173    15.6931	O.2	1	noname	-0.2978
40	O37    13.0079    31.2302     7.7603	O.2	1	noname	-0.2897
41	O38    20.4344    24.3408     5.1510	O.2	1	noname	-0.2899
42	O39    21.3563    22.7054     9.0200	O.2	1	noname	-0.2911
43	O40    16.8465    25.7703     8.6294	O.3	1	noname	-0.3941
44	O41    18.7363    27.6870     7.0845	O.2	1	noname	-0.2893
45	O42     1.5630    36.7049     3.8548	O.2	1	noname	-0.2899
46	O43    16.4641    28.3009     3.4342	O.2	1	noname	-0.2902
47	O44    16.3723    32.2242     4.6880	O.2	1	noname	-0.2911
48	O45    -0.6582    40.7561     4.8783	O.3	1	noname	-0.3941
49	O46     3.2260    40.4748     3.1300	O.2	1	noname	-0.2895
50	O47     4.5877    36.7771    -0.1684	O.2	1	noname	-0.2911
51	O48     2.0129    34.5785    -1.1028	O.2	1	noname	-0.2902
52	O49     6.4031    33.3182     3.3123	O.3	1	noname	-0.2136
53	O50     5.7272    31.5262    -0.3052	O.2	1	noname	-0.2910
54	O51     6.5453    31.1045     2.8260	O.2	1	noname	-0.2491
55	N1    26.8530    18.0925    23.7370	N.3	1	noname	-0.0559
56	N2    23.8194    19.2574    23.3125	N.3	1	noname	-0.0660
57	N3    29.5017    18.0342    25.4367	N.3	1	noname	-0.0661
58	N4    28.2532    22.3454    25.7686	N.3	1	noname	-0.0483
59	N5    21.4245    18.0729    21.6997	N.3	1	noname	-0.0664
60	N6    30.7384    15.8641    28.1541	N.3	1	noname	-0.0664
61	N7    28.4647    23.6679    24.0219	N.2	1	noname	-0.2418
62	N8    22.4245    20.1219    26.6613	N.3	1	noname	-0.0903
63	N9    19.3914    19.5461    19.7046	N.3	1	noname	-0.0665
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74	N20    19.8867    26.3627    19.4751	N.2	1	noname	-0.2746
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78	N24     5.9589    16.7323    23.4974	N.3	1	noname	-0.3304
79	N25     6.9664    33.0511    13.9275	N.3	1	noname	-0.0660
80	N26     1.5301    34.5210    13.4054	N.3	1	noname	-0.0662
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82	N28    15.4126    32.8788    14.8682	N.3	1	noname	-0.0674
83	N29    10.2302    20.3052    12.4936	N.3	1	noname	-0.0676
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86	N32    13.3928    27.7204     9.0649	N.3	1	noname	-0.3304
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88	N34    16.1136    32.1551    11.3542	N.3	1	noname	-0.0683
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91	N37    18.4521    18.3864    10.2645	N.3	1	noname	-0.0664
92	N38    14.7186    32.7005     7.9009	N.3	1	noname	-0.0659
93	N39     7.9891    41.0516    10.2862	N.3	1	noname	-0.1344
94	N40     5.9364    40.5708     9.5331	N.2	1	noname	-0.2746
95	N41     0.0012    36.3842     6.5293	N.3	1	noname	-0.0657
96	N42    22.2041    22.4794     6.9165	N.3	1	noname	-0.0674
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98	N44    20.1451    24.8589     7.3426	N.3	1	noname	-0.0649
99	N45    18.5479    26.5286     5.1365	N.3	1	noname	-0.0657
100	N46    14.2564    31.3905     5.0929	N.3	1	noname	-0.0668
101	N47    13.1799    18.2276    15.4603	N.3	1	noname	-0.0903
102	N48    12.2318    21.5826     5.1248	N.3	1	noname	-0.3304
103	N49     1.2744    38.7151     4.9012	N.3	1	noname	-0.0648
104	N50    17.4679    15.1131    14.0868	N.3	1	noname	-0.3304
105	N51    17.3189    29.4176     5.2343	N.3	1	noname	-0.0684
106	N52    20.1349    27.2125    -1.9556	N.3	1	noname	-0.3304
107	N53     2.5260    38.5641     2.0627	N.3	1	noname	-0.0677
108	N54     3.1040    35.8379     1.2907	N.3	1	noname	-0.0674
109	N55     7.0512    33.2638     0.4050	N.3	1	noname	-0.0661
110	N56     4.0098    33.7302    -1.4645	N.3	1	noname	-0.0684
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112	C2    26.3866    16.6556    22.1053	C.3	1	noname	-0.0274
113	C3    26.7990    15.8589    23.3596	C.3	1	noname	-0.0379
114	C4    26.7912    16.8928    24.4942	C.3	1	noname	0.0067
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229	C119    19.2434    16.9063    12.8210	C.3	1	noname	-0.0501
230	C120    13.9657    20.7904     6.6557	C.3	1	noname	-0.0408
231	C121    22.2833    23.8789     6.5930	C.3	1	noname	0.0880
232	C122    23.2447    24.1028     5.3908	C.3	1	noname	-0.0265
233	C123    24.7073    23.6671     5.5949	C.3	1	noname	-0.0451
234	C124    -3.4726    37.7434     6.8431	C.3	1	noname	0.0675
235	C125    20.8045    18.7642     9.7617	C.2	1	noname	0.0485
236	C126    -0.9655    37.3063     6.8360	C.2	1	noname	0.0504
237	C127    19.7574    15.6100    13.4324	C.3	1	noname	-0.0408
238	C128    17.4866    33.7158     8.3643	C.2	1	noname	-0.0541
239	C129    14.1363    19.0806    15.1804	C.2	1	noname	0.0335
240	C130    13.7001    32.1180     7.2076	C.2	1	noname	0.0498
241	C131    12.4906    20.6911     6.2542	C.3	1	noname	-0.0076
242	C132     1.3804    36.6562     6.2264	C.3	1	noname	0.0886
243	C133    13.5576    32.4545     5.7571	C.3	1	noname	0.0976
244	C134    20.9120    24.3906     6.3115	C.2	1	noname	0.0499
245	C135    21.7640    20.5027     8.2708	C.3	1	noname	0.0766
246	C136    18.8317    15.2778    14.5872	C.3	1	noname	-0.0076
247	C137    25.5078    23.9567     4.3237	C.3	1	noname	-0.0627
248	C138    25.3120    24.4435     6.7664	C.3	1	noname	-0.0627
249	C139    18.7786    25.2953     7.2519	C.3	1	noname	0.1109
250	C140    18.6287    27.6286     4.2077	C.3	1	noname	0.0878
251	C141     2.2127    35.3429     6.2346	C.3	1	noname	-0.0197
252	C142    21.7605    21.9630     8.0945	C.2	1	noname	0.0477
253	C143    18.9385    26.9717     2.8368	C.3	1	noname	-0.0288
254	C144    18.3864    34.2132     9.3337	C.2	1	noname	-0.0567
255	C145    17.0182    34.5929     7.3552	C.2	1	noname	-0.0567
256	C146    12.0752    32.4975     5.3284	C.3	1	noname	0.0280
257	C147    19.2866    27.9254     1.6814	C.3	1	noname	-0.0501
258	C148    18.6541    26.5794     6.4996	C.2	1	noname	0.0504
259	C149     1.4490    37.3581     4.9187	C.2	1	noname	0.0499
260	C150    18.1994    25.3419     8.6807	C.3	1	noname	0.0675
261	C151    17.4103    28.4901     4.2416	C.2	1	noname	0.0485
262	C152     2.2643    34.5847     7.5744	C.3	1	noname	-0.0050
263	C153    19.5511    27.1028     0.4158	C.3	1	noname	-0.0408
264	C154    18.7039    35.5839     9.3652	C.2	1	noname	-0.0604
265	C155    17.3153    35.9632     7.4057	C.2	1	noname	-0.0604
266	C156    15.6084    31.2810     5.0031	C.2	1	noname	0.0479
267	C157    16.1092    30.0507     5.6251	C.3	1	noname	0.0766
268	C158    18.1449    36.4656     8.4214	C.2	1	noname	-0.0616
269	C159     1.1031    39.5467     3.7459	C.3	1	noname	0.1109
270	C160    19.8875    28.0212    -0.7630	C.3	1	noname	-0.0076
271	C161     0.5835    40.9207     4.2093	C.3	1	noname	0.0675
272	C162     2.3472    39.5953     2.9345	C.2	1	noname	0.0496
273	C163     3.2700    34.4671     0.8885	C.3	1	noname	0.0880
274	C164     2.2374    33.6327     1.6908	C.3	1	noname	-0.0265
275	C165     2.3773    32.0999     1.6086	C.3	1	noname	-0.0451
276	C166     3.3714    32.0969     8.9255	C.3	1	noname	-0.0184
277	C167     9.0151    33.3206     1.9414	C.3	1	noname	0.0291
278	C168     3.7212    38.2651     1.3632	C.3	1	noname	0.0766
279	C169     7.7682    32.5460     1.4154	C.3	1	noname	0.1098
280	C170     3.7924    36.9088     0.7891	C.2	1	noname	0.0477
281	C171     3.1018    34.2415    -0.5803	C.2	1	noname	0.0485
282	C172     1.2848    31.4419     2.4539	C.3	1	noname	-0.0627
283	C173     3.7513    31.6841     2.1377	C.3	1	noname	-0.0627
284	C174     5.4282    33.6200    -1.3501	C.3	1	noname	0.0766
285	C175     6.0550    32.7352    -0.3650	C.2	1	noname	0.0482
286	C176     6.8521    32.2863     2.5481	C.2	1	noname	0.1444
287	H1    26.1151    18.7714    21.8643	H	1	noname	0.0568
288	H2    25.5538    16.1532    21.6132	H	1	noname	0.0288
289	H3    27.2605    16.7988    21.4697	H	1	noname	0.0288
290	H4    26.0534    15.0903    23.5632	H	1	noname	0.0280
291	H5    27.7821    15.4185    23.1933	H	1	noname	0.0280
292	H6    25.8390    16.8452    25.0225	H	1	noname	0.0436
293	H7    27.6077    16.7729    25.2062	H	1	noname	0.0436
294	H8    28.0002    19.3964    25.9499	H	1	noname	0.0570
295	H9    30.4435    20.2338    24.3288	H	1	noname	0.0351
296	H10    30.1715    20.3824    26.0891	H	1	noname	0.0351
297	H11    24.3637    20.0589    23.3693	H	1	noname	0.1319
298	H12    22.0390    18.5994    24.2114	H	1	noname	0.0571
299	H13    30.0341    17.6648    24.7124	H	1	noname	0.1319
300	H14    22.3600    21.5713    23.6546	H	1	noname	0.0382
301	H15    21.0243    20.6997    24.4419	H	1	noname	0.0382
302	H16    31.2886    16.2232    26.1831	H	1	noname	0.0566
303	H17    29.0975    15.2428    25.2786	H	1	noname	0.0293
304	H18    28.6463    14.8481    26.8795	H	1	noname	0.0293
305	H19    27.9716    22.0075    26.6332	H	1	noname	0.1534
306	H20    29.7481    22.3790    22.9678	H	1	noname	0.0856
307	H21    21.5709    17.3047    22.2734	H	1	noname	0.1318
308	H22    30.2191    15.1940    28.6326	H	1	noname	0.1318
309	H23    21.6742    18.3586    19.6634	H	1	noname	0.0563
310	H24    31.0916    13.6924    25.4623	H	1	noname	0.0373
311	H25    30.5696    13.3131    27.1134	H	1	noname	0.0373
312	H26    27.2753    24.2021    25.6715	H	1	noname	0.1013
313	H27    31.8125    15.0769    30.4277	H	1	noname	0.0566
314	H28    20.9343    16.1250    18.9955	H	1	noname	0.0251
315	H29    22.3024    16.0879    20.1336	H	1	noname	0.0251
316	H30    20.6595    15.7091    20.7043	H	1	noname	0.0251
317	H31    21.8087    19.3724    26.5600	H	1	noname	0.1271
318	H32    22.8222    20.3049    27.5333	H	1	noname	0.1271
319	H33    31.0159    18.0117    30.8962	H	1	noname	0.0292
320	H34    29.9134    16.6705    30.6934	H	1	noname	0.0292
321	H35    20.1694    20.0148    19.3582	H	1	noname	0.1318
322	H36    17.8128    20.2482    20.8481	H	1	noname	0.0566
323	H37    33.3630    17.3549    31.2293	H	1	noname	0.1318
324	H38    30.6415    15.6315    32.7847	H	1	noname	0.0361
325	H39    31.7488    16.9204    33.0874	H	1	noname	0.0361
326	H40    18.8991    21.9155    18.5314	H	1	noname	0.0288
327	H41    17.5343    22.3541    19.5345	H	1	noname	0.0288
328	H42    20.3483    22.0841    20.5796	H	1	noname	0.0280
329	H43    18.9574    22.5105    21.5486	H	1	noname	0.0280
330	H44    27.9055    12.3202    24.1408	H	1	noname	0.2213
331	H45    35.8382    17.4057    30.4074	H	1	noname	0.0529
332	H46    35.6683    16.6634    31.8983	H	1	noname	0.0529
333	H47    16.7678    18.2091    20.0743	H	1	noname	0.1318
334	H48    15.5587    18.1909    17.4253	H	1	noname	0.0566
335	H49    39.0774    14.6047    29.5751	H	1	noname	0.0562
336	H50    19.9394    24.0198    19.0596	H	1	noname	0.0432
337	H51    18.5459    24.4985    20.0141	H	1	noname	0.0432
338	H52    38.1568    13.5283    32.2070	H	1	noname	0.0288
339	H53    38.2768    12.7355    30.6043	H	1	noname	0.0288
340	H54    15.7673    16.0582    19.5919	H	1	noname	0.0287
341	H55    15.0220    15.8628    18.0225	H	1	noname	0.0287
342	H56    40.1965    12.7940    32.8467	H	1	noname	0.0280
343	H57    40.3051    11.7916    31.4039	H	1	noname	0.0280
344	H58    36.6475    14.8570    29.8983	H	1	noname	0.1316
345	H59    41.9843    13.9057    31.9093	H	1	noname	0.0428
346	H60    41.4549    13.4957    30.2055	H	1	noname	0.0428
347	H61    40.8813    15.6810    30.4277	H	1	noname	0.1229
348	H62    17.9765    16.3533    18.4010	H	1	noname	0.0268
349	H63    17.1886    16.1417    16.8560	H	1	noname	0.0268
350	H64    28.9522    18.4992    31.7645	H	1	noname	0.1271
351	H65    28.2547    18.8121    33.2606	H	1	noname	0.1271
352	H66    20.0066    24.7786    21.8622	H	1	noname	0.1306
353	H67    17.0143    14.1384    19.1848	H	1	noname	0.0279
354	H68    16.3587    13.8819    17.6103	H	1	noname	0.0279
355	H69    14.3089    20.1993    18.4647	H	1	noname	0.1319
356	H70    12.3606    19.7802    20.4691	H	1	noname	0.0569
357	H71    19.3290    14.1594    18.2431	H	1	noname	0.0425
358	H72    18.6490    13.8967    16.6193	H	1	noname	0.0425
359	H73    12.4488    21.9246    18.2989	H	1	noname	0.0337
360	H74    11.4570    21.8720    19.7746	H	1	noname	0.0337
361	H75     9.7133    19.8953    19.9285	H	1	noname	0.1318
362	H76    19.3327    11.8526    17.6393	H	1	noname	0.1184
363	H77    18.3166    12.1150    18.9370	H	1	noname	0.1184
364	H78     9.3769    17.7466    18.0624	H	1	noname	0.0566
365	H79    21.6197    26.4411    21.9696	H	1	noname	0.1267
366	H80    21.9362    27.1999    20.6157	H	1	noname	0.1267
367	H81    19.9627    27.2415    19.1650	H	1	noname	0.1898
368	H82     7.3090    19.3813    19.5619	H	1	noname	0.0287
369	H83     7.0278    17.8742    18.7484	H	1	noname	0.0287
370	H84    14.4041    23.2113    18.3922	H	1	noname	0.0626
371	H85    12.8730    21.6581    22.0364	H	1	noname	0.0626
372	H86     8.9388    18.1984    21.0982	H	1	noname	0.0268
373	H87     8.5670    16.6736    20.3250	H	1	noname	0.0268
374	H88     6.5718    18.5854    21.6650	H	1	noname	0.0279
375	H89     6.1017    17.0730    20.8747	H	1	noname	0.0279
376	H90    16.0723    24.4300    19.6328	H	1	noname	0.0650
377	H91    14.5614    22.8748    23.2486	H	1	noname	0.0650
378	H92    10.0731    18.5964    15.9438	H	1	noname	0.1316
379	H93     7.9632    17.2941    23.2635	H	1	noname	0.0425
380	H94     7.5000    15.7850    22.4411	H	1	noname	0.0425
381	H95     9.3086    20.9833    14.8398	H	1	noname	0.0529
382	H96     8.1319    19.9118    14.3455	H	1	noname	0.0529
383	H97     8.7537    33.9352    15.5746	H	1	noname	0.0566
384	H98     9.0511    36.5883    14.0954	H	1	noname	0.0290
385	H99     8.1178    36.2841    15.5465	H	1	noname	0.0290
386	H100    12.0034    33.1933    12.4974	H	1	noname	0.0566
387	H101    11.1432    36.0592    15.4003	H	1	noname	0.0298
388	H102    11.0313    30.3111    12.5919	H	1	noname	0.0287
389	H103    10.8277    31.4220    11.3015	H	1	noname	0.0287
390	H104    -0.2036    33.6634    15.3997	H	1	noname	0.0321
391	H105     0.5660    32.9401    12.5136	H	1	noname	0.0569
392	H106    10.6417    34.6711    13.6076	H	1	noname	0.1318
393	H107    14.2929    31.6020    16.1101	H	1	noname	0.0566
394	H108     3.7108    35.9084    13.6979	H	1	noname	0.0566
395	H109    14.2590    34.5842    16.7777	H	1	noname	0.0290
396	H110    13.6236    33.2710    17.7059	H	1	noname	0.0290
397	H111    13.5329    30.3568    12.2103	H	1	noname	0.0268
398	H112    13.3168    31.4619    10.8819	H	1	noname	0.0268
399	H113    16.2811    24.2683    23.1842	H	1	noname	0.2181
400	H114    12.9014    31.1574    14.2203	H	1	noname	0.1318
401	H115    16.5932    33.7408    17.2294	H	1	noname	0.0298
402	H116     6.1426    16.2083    24.3553	H	1	noname	0.1184
403	H117     5.2234    16.2647    22.9635	H	1	noname	0.1184
404	H118     6.3210    32.6304    12.0040	H	1	noname	0.0571
405	H119     3.1958    37.5837    11.8959	H	1	noname	0.0288
406	H120     3.9236    36.5415    10.7323	H	1	noname	0.0288
407	H121     2.0507    32.6890    15.3490	H	1	noname	0.0267
408	H122     0.8673    31.5783    16.0796	H	1	noname	0.0267
409	H123     7.2426    32.4709    14.6564	H	1	noname	0.1319
410	H124     1.9078    34.5998    14.2969	H	1	noname	0.1319
411	H125    11.0784    38.1064    16.7980	H	1	noname	0.0233
412	H126     9.3038    38.1409    16.6652	H	1	noname	0.0233
413	H127    10.9548    35.8501    17.8639	H	1	noname	0.0233
414	H128    10.3095    38.3874    15.2175	H	1	noname	0.0233
415	H129    10.0978    34.5236    17.0428	H	1	noname	0.0233
416	H130     9.1801    35.8846    17.7311	H	1	noname	0.0233
417	H131    11.8282    29.7760     9.7429	H	1	noname	0.0279
418	H132    12.0075    28.6853    11.1068	H	1	noname	0.0279
419	H133     5.2193    34.6530    11.6975	H	1	noname	0.1318
420	H134    -1.3064    31.4663    15.4837	H	1	noname	0.0234
421	H135    -2.0583    32.4963    14.2420	H	1	noname	0.0234
422	H136    -0.9397    31.1973    13.7629	H	1	noname	0.0234
423	H137     5.4242    37.8585    13.0199	H	1	noname	0.0280
424	H138     6.1625    36.7713    11.8626	H	1	noname	0.0280
425	H139     4.8939    30.7019    12.6049	H	1	noname	0.0394
426	H140     5.3080    30.9212    14.2904	H	1	noname	0.0394
427	H141    15.8748    33.7287    14.9466	H	1	noname	0.1318
428	H142    16.5941    34.3510    19.6328	H	1	noname	0.0233
429	H143    14.8287    34.1311    19.6893	H	1	noname	0.0233
430	H144    16.8689    31.9664    18.9394	H	1	noname	0.0233
431	H145    16.0029    31.3492    17.5121	H	1	noname	0.0233
432	H146    15.1035    31.7465    18.9958	H	1	noname	0.0233
433	H147    15.5322    35.4325    18.6995	H	1	noname	0.0233
434	H148     9.7502    21.1783    12.4937	H	1	noname	0.1318
435	H149    14.4361    28.5095    10.7010	H	1	noname	0.0425
436	H150    14.2771    29.6039     9.3062	H	1	noname	0.0425
437	H151     2.3527    30.3802    14.4964	H	1	noname	0.0230
438	H152     0.6678    30.3718    13.9225	H	1	noname	0.0230
439	H153     1.8513    31.4825    13.1919	H	1	noname	0.0230
440	H154     5.4029    38.2997     9.9958	H	1	noname	0.0432
441	H155     4.7086    39.3910    11.1662	H	1	noname	0.0432
442	H156    10.9386    18.9561    11.0611	H	1	noname	0.0563
443	H157    -0.2750    34.2824    10.8666	H	1	noname	0.1316
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445	H159    -2.8635    35.4037    11.1259	H	1	noname	0.0529
446	H160    17.3627    32.9360    12.8044	H	1	noname	0.0529
447	H161    15.8204    33.7505    12.6377	H	1	noname	0.0529
448	H162     7.5227    38.6866    11.0013	H	1	noname	0.1306
449	H163    11.1352    20.6160     9.2856	H	1	noname	0.0251
450	H164    10.5749    21.8781    10.4086	H	1	noname	0.0251
451	H165     9.4959    20.5309     9.9738	H	1	noname	0.0251
452	H166    14.2324    27.3122     8.6489	H	1	noname	0.1184
453	H167    12.9161    27.0157     9.6312	H	1	noname	0.1184
454	H168    14.8810    20.3744    13.0067	H	1	noname	0.0571
455	H169    12.6500    18.5447    12.7581	H	1	noname	0.1319
456	H170    16.6045    31.3348    11.1873	H	1	noname	0.1316
457	H171    16.1028    18.1170     9.1743	H	1	noname	0.0566
458	H172    15.3954    31.0568     8.9804	H	1	noname	0.0569
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460	H174    15.9453    21.0562     8.4080	H	1	noname	0.0287
461	H175     8.3027    29.4910    11.8905	H	1	noname	0.2213
462	H176    14.8388    17.5383    14.0245	H	1	noname	0.0382
463	H177    16.0150    18.8674    14.3262	H	1	noname	0.0382
464	H178    -2.7835    37.3315     9.2010	H	1	noname	0.1319
465	H179    15.1129    20.4048    10.5997	H	1	noname	0.1318
466	H180    19.8016    19.3180    11.5360	H	1	noname	0.0566
467	H181    -2.5147    35.8625     6.7656	H	1	noname	0.0590
468	H182    14.0615    18.8363     7.5644	H	1	noname	0.0268
469	H183    13.6421    20.1156     8.6896	H	1	noname	0.0268
470	H184    20.1337    16.3553    10.9367	H	1	noname	0.0287
471	H185    21.1468    17.3065    11.9918	H	1	noname	0.0287
472	H186    17.1445    31.8251     7.4829	H	1	noname	0.0337
473	H187    17.6189    31.8381     9.2322	H	1	noname	0.0337
474	H188    18.0100    17.5248    10.3468	H	1	noname	0.1318
475	H189    18.2134    16.7695    12.4917	H	1	noname	0.0268
476	H190    19.2420    17.7218    13.5443	H	1	noname	0.0268
477	H191    14.5925    20.5172     5.8068	H	1	noname	0.0279
478	H192    14.1877    21.8274     6.9079	H	1	noname	0.0279
479	H193    15.0065    33.5549     7.5607	H	1	noname	0.1319
480	H194    22.7013    24.4354     7.4407	H	1	noname	0.0566
481	H195    22.8397    23.6125     4.5056	H	1	noname	0.0290
482	H196    23.2597    25.1741     5.1908	H	1	noname	0.0290
483	H197    24.7416    22.5992     5.8105	H	1	noname	0.0298
484	H198    -4.4169    37.2941     7.1505	H	1	noname	0.0585
485	H199    -3.3561    38.7123     7.3287	H	1	noname	0.0585
486	H200    19.7108    14.8141    12.6890	H	1	noname	0.0279
487	H201    20.7828    15.7360    13.7798	H	1	noname	0.0279
488	H202     8.6212    40.7280    10.9470	H	1	noname	0.1267
489	H203     7.7625    41.9746    10.4804	H	1	noname	0.1267
490	H204     6.0011    41.2793     8.9264	H	1	noname	0.1898
491	H205    11.8642    20.9818     7.0975	H	1	noname	0.0425
492	H206    12.2604    19.6650     5.9674	H	1	noname	0.0425
493	H207     1.8067    37.3087     6.9962	H	1	noname	0.0566
494	H208    13.9957    33.4384     5.5584	H	1	noname	0.0575
495	H209    -0.2678    35.4518     6.5397	H	1	noname	0.1318
496	H210    22.4811    21.8481     6.2327	H	1	noname	0.1318
497	H211    20.4530    20.7259     9.8357	H	1	noname	0.1316
498	H212    22.7885    20.1553     8.4046	H	1	noname	0.0529
499	H213    21.5049    19.9874     7.3459	H	1	noname	0.0529
500	H214    18.8557    16.0875    15.3166	H	1	noname	0.0425
501	H215    19.1592    14.3524    15.0609	H	1	noname	0.0425
502	H216    26.3474    24.1351     6.9109	H	1	noname	0.0233
503	H217    25.2777    25.5115     6.5508	H	1	noname	0.0233
504	H218    24.7416    24.2372     7.6721	H	1	noname	0.0233
505	H219    26.5432    23.6483     4.4682	H	1	noname	0.0233
506	H220    25.4735    25.0246     4.1081	H	1	noname	0.0233
507	H221    25.0770    23.4035     3.4891	H	1	noname	0.0233
508	H222    18.1938    24.5238     6.7451	H	1	noname	0.0590
509	H223    19.4943    28.2407     4.4700	H	1	noname	0.0566
510	H224     3.2275    35.5537     5.8971	H	1	noname	0.0296
511	H225     1.8035    34.6642     5.4861	H	1	noname	0.0296
512	H226    20.5624    24.8731     8.2198	H	1	noname	0.1319
513	H227    19.7371    26.2397     2.9569	H	1	noname	0.0287
514	H228    18.0766    26.3770     2.5342	H	1	noname	0.0287
515	H229    18.8093    33.5881    10.0278	H	1	noname	0.0625
516	H230    16.4466    34.2550     6.5775	H	1	noname	0.0625
517	H231    11.4970    33.0432     6.0740	H	1	noname	0.0410
518	H232    11.6680    31.4881     5.3869	H	1	noname	0.0410
519	H233    20.1797    28.4955     1.9373	H	1	noname	0.0268
520	H234    18.4915    28.6515     1.5122	H	1	noname	0.0268
521	H235    18.4401    25.6396     4.7585	H	1	noname	0.1318
522	H236    13.7418    30.6056     4.8621	H	1	noname	0.1319
523	H237    12.5115    18.5328    16.0617	H	1	noname	0.1271
524	H238    13.1568    17.3375    15.0755	H	1	noname	0.1271
525	H239    18.7788    26.0399     9.2850	H	1	noname	0.0585
526	H240    18.2492    24.3481     9.1256	H	1	noname	0.0585
527	H241    -4.2084    38.5035     5.1741	H	1	noname	0.2101
528	H242     2.7300    35.2159     8.3313	H	1	noname	0.0380
529	H243     1.2644    34.3385     7.9320	H	1	noname	0.0380
530	H244    11.2478    21.5163     4.8569	H	1	noname	0.1184
531	H245    12.4476    22.5446     5.3937	H	1	noname	0.1184
532	H246    20.3821    26.4202     0.5933	H	1	noname	0.0279
533	H247    18.6767    26.5082     0.1513	H	1	noname	0.0279
534	H248    19.3318    35.9450    10.0844	H	1	noname	0.0622
535	H249    16.9273    36.5940     6.7017	H	1	noname	0.0622
536	H250    16.0891    30.1577     6.7097	H	1	noname	0.0529
537	H251    15.3032    29.3533     5.3967	H	1	noname	0.0529
538	H252     1.2371    39.1456     5.7701	H	1	noname	0.1319
539	H253    16.8442    14.8893    14.8649	H	1	noname	0.1184
540	H254    17.1608    15.9808    13.6427	H	1	noname	0.1184
541	H255    18.1139    29.5813     5.7713	H	1	noname	0.1316
542	H256    18.3419    37.4660     8.4699	H	1	noname	0.0622
543	H257     0.2932    39.1419     3.1356	H	1	noname	0.0590
544	H258    20.7784    28.6032    -0.5275	H	1	noname	0.0425
545	H259    19.0514    28.6956    -0.9483	H	1	noname	0.0425
546	H260     1.3059    41.3716     4.8898	H	1	noname	0.0585
547	H261     0.4467    41.5684     3.3434	H	1	noname	0.0585
548	H262    16.4786    25.7999     9.5372	H	1	noname	0.2101
549	H263     4.2606    34.1639     1.2217	H	1	noname	0.0566
550	H264     2.2523    33.9433     2.7355	H	1	noname	0.0290
551	H265     1.2432    33.9027     1.3346	H	1	noname	0.0290
552	H266    20.3593    27.8252    -2.7422	H	1	noname	0.1184
553	H267    19.2995    26.6668    -2.1765	H	1	noname	0.1184
554	H268     2.2756    31.7809     0.5713	H	1	noname	0.0298
555	H269     1.7729    37.9713     1.9267	H	1	noname	0.1316
556	H270     3.9672    31.1985     8.7644	H	1	noname	0.0343
557	H271     3.8414    32.7118     9.6931	H	1	noname	0.0343
558	H272     2.3693    31.8153     9.2487	H	1	noname	0.0343
559	H273     9.7067    33.4980     1.1178	H	1	noname	0.0411
560	H274     8.7333    34.2827     2.3693	H	1	noname	0.0411
561	H275     4.5764    38.4274     2.0192	H	1	noname	0.0529
562	H276     3.9275    39.0201     0.6046	H	1	noname	0.0529
563	H277     8.1284    31.5971     0.9830	H	1	noname	0.0587
564	H278     2.4779    36.0106     2.0112	H	1	noname	0.1318
565	H279     3.8503    30.6001     2.0795	H	1	noname	0.0233
566	H280     1.3838    30.3580     2.3957	H	1	noname	0.0233
567	H281     1.3864    31.7609     3.4912	H	1	noname	0.0233
568	H282     0.3059    31.7382     2.0769	H	1	noname	0.0233
569	H283     3.8530    32.0030     3.1750	H	1	noname	0.0233
570	H284     4.5296    32.1528     1.5355	H	1	noname	0.0233
571	H285    -0.9887    41.6303     5.1732	H	1	noname	0.2101
572	H286     7.2622    34.2064     0.2912	H	1	noname	0.1319
573	H287     3.6487    33.4489    -2.3199	H	1	noname	0.1316
574	H288     5.8585    33.4314    -2.3336	H	1	noname	0.0529
575	H289     5.8085    34.5961    -1.0490	H	1	noname	0.0529
576	H290     5.8273    33.1142     4.0744	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	3	1
2	1	256	1
3	2	262	1
4	2	276	1
5	3	277	1
6	4	115	2
7	5	116	2
8	6	121	2
9	7	124	2
10	8	127	2
11	9	131	2
12	10	134	2
13	11	136	1
14	11	330	1
15	12	136	2
16	13	140	2
17	14	141	2
18	15	143	2
19	16	152	2
20	17	154	2
21	18	160	2
22	19	167	2
23	20	171	1
24	20	399	1
25	21	182	2
26	22	186	2
27	23	190	2
28	24	191	2
29	25	196	2
30	26	198	2
31	27	200	2
32	28	208	2
33	29	209	1
34	29	461	1
35	30	209	2
36	31	212	2
37	32	215	2
38	33	220	2
39	34	221	2
40	35	226	2
41	36	234	1
42	36	527	1
43	37	235	2
44	38	236	2
45	39	239	2
46	40	240	2
47	41	244	2
48	42	252	2
49	43	260	1
50	43	548	1
51	44	258	2
52	45	259	2
53	46	261	2
54	47	266	2
55	48	271	1
56	48	571	1
57	49	272	2
58	50	280	2
59	51	281	2
60	52	286	1
61	52	576	1
62	53	285	2
63	54	286	2
64	55	111	1
65	55	114	1
66	55	115	1
67	56	116	1
68	119	56	1
69	56	297	1
70	117	57	1
71	57	121	1
72	57	299	1
73	58	120	1
74	58	130	1
75	58	305	1
76	59	124	1
77	128	59	1
78	59	307	1
79	123	60	1
80	60	131	1
81	60	308	1
82	61	126	1
83	61	130	2
84	62	127	1
85	62	317	1
86	62	318	1
87	63	134	1
88	137	63	1
89	63	321	1
90	132	64	1
91	64	140	1
92	64	323	1
93	65	141	1
94	145	65	1
95	65	333	1
96	66	144	1
97	66	152	1
98	66	344	1
99	67	146	1
100	67	151	1
101	67	347	1
102	68	143	1
103	68	350	1
104	68	351	1
105	69	147	1
106	69	158	1
107	69	352	1
108	70	154	1
109	156	70	1
110	70	355	1
111	71	160	1
112	162	71	1
113	71	361	1
114	72	157	1
115	72	362	1
116	72	363	1
117	73	158	1
118	73	365	1
119	73	366	1
120	74	158	2
121	74	367	1
122	75	167	1
123	75	173	1
124	75	378	1
125	76	174	1
126	76	182	1
127	76	392	1
128	77	176	1
129	77	190	1
130	77	400	1
131	78	172	1
132	78	402	1
133	78	403	1
134	79	186	1
135	79	188	1
136	79	409	1
137	80	180	1
138	80	196	1
139	80	410	1
140	81	183	1
141	81	198	1
142	81	419	1
143	82	181	1
144	82	208	1
145	82	427	1
146	83	191	1
147	207	83	1
148	83	434	1
149	84	200	1
150	84	210	1
151	84	443	1
152	85	206	1
153	85	217	1
154	85	448	1
155	86	204	1
156	86	452	1
157	86	453	1
158	87	212	1
159	214	87	1
160	87	455	1
161	88	211	1
162	88	220	1
163	88	456	1
164	89	215	1
165	89	224	1
166	89	464	1
167	216	90	1
168	90	221	1
169	90	465	1
170	223	91	1
171	91	226	1
172	91	474	1
173	92	218	1
174	92	240	1
175	92	479	1
176	93	217	1
177	93	488	1
178	93	489	1
179	94	217	2
180	94	490	1
181	95	236	1
182	95	242	1
183	95	495	1
184	231	96	1
185	96	252	1
186	96	496	1
187	97	235	1
188	97	245	1
189	97	497	1
190	98	244	1
191	249	98	1
192	98	512	1
193	250	99	1
194	99	258	1
195	99	521	1
196	243	100	1
197	100	266	1
198	100	522	1
199	101	239	1
200	101	523	1
201	101	524	1
202	102	241	1
203	102	530	1
204	102	531	1
205	103	259	1
206	103	269	1
207	103	538	1
208	104	246	1
209	104	539	1
210	104	540	1
211	105	261	1
212	105	267	1
213	105	541	1
214	106	270	1
215	106	552	1
216	106	553	1
217	107	272	1
218	107	278	1
219	107	555	1
220	108	273	1
221	108	280	1
222	108	564	1
223	109	279	1
224	109	285	1
225	109	572	1
226	110	281	1
227	110	284	1
228	110	573	1
229	111	112	1
230	111	116	1
231	111	287	1
232	112	113	1
233	112	288	1
234	112	289	1
235	113	114	1
236	113	290	1
237	113	291	1
238	114	292	1
239	114	293	1
240	115	117	1
241	117	118	1
242	117	294	1
243	118	120	1
244	118	295	1
245	118	296	1
246	119	122	1
247	119	124	1
248	119	298	1
249	120	126	2
250	121	123	1
251	122	127	1
252	122	300	1
253	122	301	1
254	123	125	1
255	123	302	1
256	125	129	1
257	125	303	1
258	125	304	1
259	126	306	1
260	128	133	1
261	128	134	1
262	128	309	1
263	129	136	1
264	129	310	1
265	129	311	1
266	130	312	1
267	131	132	1
268	132	135	1
269	132	313	1
270	133	314	1
271	133	315	1
272	133	316	1
273	135	138	1
274	135	319	1
275	135	320	1
276	137	139	1
277	137	141	1
278	137	322	1
279	138	143	1
280	138	324	1
281	138	325	1
282	139	142	1
283	139	326	1
284	139	327	1
285	140	144	1
286	142	147	1
287	142	328	1
288	142	329	1
289	144	331	1
290	144	332	1
291	145	149	1
292	145	154	1
293	145	334	1
294	146	148	1
295	146	152	1
296	146	335	1
297	147	336	1
298	147	337	1
299	148	150	1
300	148	338	1
301	148	339	1
302	149	153	1
303	149	340	1
304	149	341	1
305	150	151	1
306	150	342	1
307	150	343	1
308	151	345	1
309	151	346	1
310	153	155	1
311	153	348	1
312	153	349	1
313	155	157	1
314	155	353	1
315	155	354	1
316	156	159	1
317	156	160	1
318	156	356	1
319	157	357	1
320	157	358	1
321	159	161	1
322	159	359	1
323	159	360	1
324	161	164	2
325	161	165	1
326	162	163	1
327	162	167	1
328	162	364	1
329	163	166	1
330	163	368	1
331	163	369	1
332	164	169	1
333	164	370	1
334	165	170	2
335	165	371	1
336	166	168	1
337	166	372	1
338	166	373	1
339	168	172	1
340	168	374	1
341	168	375	1
342	169	171	2
343	169	376	1
344	170	171	1
345	170	377	1
346	172	379	1
347	172	380	1
348	173	191	1
349	173	381	1
350	173	382	1
351	174	175	1
352	174	186	1
353	174	383	1
354	175	177	1
355	175	384	1
356	175	385	1
357	176	178	1
358	176	182	1
359	176	386	1
360	177	193	1
361	177	194	1
362	177	387	1
363	178	185	1
364	178	388	1
365	178	389	1
366	179	180	1
367	179	192	1
368	179	197	1
369	179	390	1
370	180	200	1
371	180	391	1
372	181	184	1
373	181	190	1
374	181	393	1
375	183	189	1
376	183	196	1
377	183	394	1
378	184	187	1
379	184	395	1
380	184	396	1
381	185	195	1
382	185	397	1
383	185	398	1
384	187	202	1
385	187	203	1
386	187	401	1
387	188	198	1
388	188	201	1
389	188	404	1
390	189	199	1
391	189	405	1
392	189	406	1
393	192	205	1
394	192	407	1
395	192	408	1
396	193	411	1
397	193	412	1
398	193	414	1
399	194	413	1
400	194	415	1
401	194	416	1
402	195	204	1
403	195	417	1
404	195	418	1
405	197	420	1
406	197	421	1
407	197	422	1
408	199	206	1
409	199	423	1
410	199	424	1
411	201	209	1
412	201	425	1
413	201	426	1
414	202	428	1
415	202	429	1
416	202	433	1
417	203	430	1
418	203	431	1
419	203	432	1
420	204	435	1
421	204	436	1
422	205	437	1
423	205	438	1
424	205	439	1
425	206	440	1
426	206	441	1
427	207	212	1
428	207	213	1
429	207	442	1
430	208	211	1
431	210	215	1
432	210	444	1
433	210	445	1
434	211	446	1
435	211	447	1
436	213	449	1
437	213	450	1
438	213	451	1
439	214	221	1
440	214	222	1
441	214	454	1
442	216	219	1
443	216	226	1
444	216	457	1
445	218	220	1
446	218	228	1
447	218	458	1
448	219	225	1
449	219	459	1
450	219	460	1
451	222	239	1
452	222	462	1
453	222	463	1
454	223	227	1
455	223	235	1
456	223	466	1
457	224	234	1
458	224	236	1
459	224	467	1
460	225	230	1
461	225	468	1
462	225	469	1
463	227	229	1
464	227	470	1
465	227	471	1
466	228	238	1
467	228	472	1
468	228	473	1
469	229	237	1
470	229	475	1
471	229	476	1
472	230	241	1
473	230	477	1
474	230	478	1
475	231	232	1
476	231	244	1
477	231	480	1
478	232	233	1
479	232	481	1
480	232	482	1
481	233	247	1
482	233	248	1
483	233	483	1
484	234	484	1
485	234	485	1
486	237	246	1
487	237	486	1
488	237	487	1
489	238	254	2
490	238	255	1
491	240	243	1
492	241	491	1
493	241	492	1
494	242	251	1
495	242	259	1
496	242	493	1
497	243	256	1
498	243	494	1
499	245	252	1
500	245	498	1
501	245	499	1
502	246	500	1
503	246	501	1
504	247	505	1
505	247	506	1
506	247	507	1
507	248	502	1
508	248	503	1
509	248	504	1
510	249	258	1
511	249	260	1
512	249	508	1
513	250	253	1
514	250	261	1
515	250	509	1
516	251	262	1
517	251	510	1
518	251	511	1
519	253	257	1
520	253	513	1
521	253	514	1
522	254	264	1
523	254	515	1
524	255	265	2
525	255	516	1
526	256	517	1
527	256	518	1
528	257	263	1
529	257	519	1
530	257	520	1
531	260	525	1
532	260	526	1
533	262	528	1
534	262	529	1
535	263	270	1
536	263	532	1
537	263	533	1
538	264	268	2
539	264	534	1
540	265	268	1
541	265	535	1
542	266	267	1
543	267	536	1
544	267	537	1
545	268	542	1
546	269	271	1
547	269	272	1
548	269	543	1
549	270	544	1
550	270	545	1
551	271	546	1
552	271	547	1
553	273	274	1
554	273	281	1
555	273	549	1
556	274	275	1
557	274	550	1
558	274	551	1
559	275	282	1
560	275	283	1
561	275	554	1
562	276	556	1
563	276	557	1
564	276	558	1
565	277	279	1
566	277	559	1
567	277	560	1
568	278	280	1
569	278	561	1
570	278	562	1
571	279	286	1
572	279	563	1
573	282	566	1
574	282	567	1
575	282	568	1
576	283	565	1
577	283	569	1
578	283	570	1
579	284	285	1
580	284	574	1
581	284	575	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
