@<TRIPOS>MOLECULE
119058010
443 446 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    23.5983   -18.0817   -21.3315	S.3	1	noname	-0.1771
2	S2    21.8892    -6.3520   -11.1732	S.3	1	noname	-0.1771
3	S3    26.8790    -3.4875   -29.2617	S.3	1	noname	-0.1652
4	S4    22.7389     5.9202   -19.5098	S.3	1	noname	-0.1771
5	S5    25.3121    -0.6248   -28.3234	S.3	1	noname	-0.1771
6	S6    20.3558    -6.0544   -26.8635	S.3	1	noname	-0.1771
7	S7    21.7656    -3.5567   -28.7193	S.3	1	noname	-0.1771
8	O1    17.2392   -18.7799   -26.6691	O.3	1	noname	-0.3916
9	O2    15.8853   -10.6912   -14.1510	O.3	1	noname	-0.3916
10	O3    19.8491   -16.2621   -22.4181	O.2	1	noname	-0.2874
11	O4    20.9451   -16.6791   -25.4275	O.2	1	noname	-0.2899
12	O5    16.8522   -13.6654   -24.8300	O.3	1	noname	-0.3911
13	O6    18.1252   -10.8820   -18.2895	O.2	1	noname	-0.2901
14	O7    20.3821   -12.0144   -16.9198	O.2	1	noname	-0.2875
15	O8    17.2142   -15.1254   -20.5326	O.2	1	noname	-0.2910
16	O9    22.1278   -12.7552   -14.2284	O.3	1	noname	-0.3941
17	O10    25.1368   -16.8738   -25.5205	O.2	1	noname	-0.2896
18	O11    20.3233    -7.4918   -16.0057	O.2	1	noname	-0.2899
19	O12    23.9323   -15.5587   -29.4672	O.3	1	noname	-0.3941
20	O13    21.8349   -13.8980   -28.2463	O.2	1	noname	-0.2893
21	O14    19.0654    -9.9558   -11.3873	O.2	1	noname	-0.2899
22	O15    21.0669   -10.4817   -28.4073	O.2	1	noname	-0.2902
23	O16    25.6217    -9.4333   -30.2740	O.2	1	noname	-0.2911
24	O17    27.7055    -7.5759   -26.1421	O.2	1	noname	-0.2900
25	O18    18.8269     7.7094   -24.9238	O.2	1	noname	-0.2900
26	O19    17.2817     9.5084   -29.6005	O.2	1	noname	-0.2900
27	O20    25.5909   -11.4934   -24.5753	O.2	1	noname	-0.2900
28	O21    23.0757     7.3939   -23.9813	O.2	1	noname	-0.2898
29	O22    19.6157     6.4673   -32.2906	O.2	1	noname	-0.2898
30	O23    14.9280     7.5673   -32.2804	O.3	1	noname	-0.3941
31	O24    23.7977    -6.9702   -22.8091	O.2	1	noname	-0.2898
32	O25    21.2394     3.5236   -21.8223	O.2	1	noname	-0.2892
33	O26    17.2872     3.8126   -32.7565	O.2	1	noname	-0.2893
34	O27    19.6696     2.2525   -29.2390	O.2	1	noname	-0.2899
35	O28    21.8263    -0.0750   -31.4601	O.2	1	noname	-0.2900
36	O29    23.5665     1.8756   -20.4415	O.3	1	noname	-0.3941
37	O30    25.6161   -11.3371   -21.2348	O.3	1	noname	-0.2184
38	O31    24.3301    12.4354   -28.6308	O.3	1	noname	-0.2861
39	O32    19.7448     4.1843   -27.1759	O.2	1	noname	-0.2900
40	O33    27.4729   -10.0715   -21.2686	O.2	1	noname	-0.2553
41	O34    23.7627     1.2414   -26.7472	O.2	1	noname	-0.2898
42	O35    20.0974    -2.2037   -23.0670	O.3	1	noname	-0.3911
43	O36    24.1098     0.1348   -23.9697	O.2	1	noname	-0.2891
44	O37    23.3302     6.3084   -30.2724	O.2	1	noname	-0.2899
45	O38    24.4127    -5.9337   -25.9758	O.2	1	noname	-0.2897
46	O39    15.4154     3.7838   -27.1816	O.2	1	noname	-0.2978
47	O40    21.8111    -1.5084   -26.6755	O.2	1	noname	-0.2896
48	O41    24.0962     3.3635   -33.0199	O.3	1	noname	-0.2138
49	O42    25.7979     2.2445   -32.1329	O.2	1	noname	-0.2493
50	O43    26.2249     7.0313   -25.0678	O.3	1	noname	-0.2861
51	N1    18.7427   -17.5768   -23.9013	N.3	1	noname	-0.0534
52	N2    18.5555   -12.0572   -15.5857	N.3	1	noname	-0.0535
53	N3    22.2546   -17.8895   -23.9873	N.3	1	noname	-0.0657
54	N4    18.1718   -14.1854   -22.3685	N.3	1	noname	-0.0657
55	N5    17.8061   -13.0493   -18.9445	N.3	1	noname	-0.0683
56	N6    20.8604    -9.5771   -15.4594	N.3	1	noname	-0.0649
57	N7    23.3391   -15.5427   -25.8231	N.3	1	noname	-0.0646
58	N8    18.4716    -9.2001   -13.4145	N.3	1	noname	-0.0663
59	N9    22.8730   -12.7604   -26.6075	N.3	1	noname	-0.0657
60	N10    15.4549    -3.5128   -12.3347	N.3	1	noname	-0.3304
61	N11    21.6874    -9.1963   -12.2504	N.3	1	noname	-0.3196
62	N12    23.3199   -10.2293   -28.0965	N.3	1	noname	-0.0684
63	N13    21.9178   -11.1474   -21.5898	N.3	1	noname	-0.1252
64	N14    25.3564    -7.9982   -28.4980	N.3	1	noname	-0.0674
65	N15    22.3910   -10.8523   -19.3897	N.3	1	noname	-0.1344
66	N16    20.9533    -9.4617   -20.3266	N.2	1	noname	-0.2746
67	N17    27.0180    -9.5701   -26.9588	N.3	1	noname	-0.0664
68	N18    19.2922     9.0801   -26.6821	N.3	1	noname	-0.0664
69	N19    21.0280     8.1804   -23.4714	N.3	1	noname	-0.0661
70	N20    19.3349     8.6017   -29.6383	N.3	1	noname	-0.0661
71	N21    25.7798    -9.2524   -24.3017	N.3	1	noname	-0.0660
72	N22    17.5868     7.0771   -31.5241	N.3	1	noname	-0.0648
73	N23    22.8127     5.0752   -22.3903	N.3	1	noname	-0.0651
74	N24    30.3659   -13.6281   -28.2611	N.3	1	noname	-0.1252
75	N25    17.3086     4.2643   -30.5273	N.3	1	noname	-0.0653
76	N26    19.4799     2.2762   -31.4600	N.3	1	noname	-0.0662
77	N27    23.1901    -7.9554   -24.7526	N.3	1	noname	-0.0656
78	N28    22.4703     1.4409   -23.0658	N.3	1	noname	-0.0641
79	N29    21.4859     1.3384   -27.0949	N.3	1	noname	-0.0661
80	N30    22.1901     1.4219   -29.8133	N.3	1	noname	-0.0658
81	N31    21.7512     3.9595   -28.1681	N.3	1	noname	-0.0664
82	N32    22.5390    -1.9517   -24.5806	N.3	1	noname	-0.0644
83	N33    23.7579     4.1205   -30.2808	N.3	1	noname	-0.0654
84	N34    22.6104    -4.5542   -25.9686	N.3	1	noname	-0.0655
85	N35    31.8227   -14.9497   -29.3762	N.3	1	noname	-0.1344
86	N36    18.0588     1.9615   -22.8879	N.3	1	noname	-0.1252
87	N37    30.0694   -15.9227   -28.4460	N.2	1	noname	-0.2746
88	N38    20.0378     3.0224   -38.0273	N.3	1	noname	-0.3304
89	N39    23.5284     5.9245   -26.8393	N.3	1	noname	-0.1252
90	N40    17.1291     5.1202   -27.7103	N.3	1	noname	-0.0903
91	N41    17.0665     0.4230   -21.5622	N.3	1	noname	-0.1344
92	N42    23.7818     3.8657   -26.0422	N.3	1	noname	-0.1344
93	N43    15.8054     2.0251   -22.4221	N.2	1	noname	-0.2746
94	N44    22.2247     5.0689   -25.1210	N.2	1	noname	-0.2746
95	C1    19.8549   -18.4131   -24.2811	C.3	1	noname	0.0932
96	C2    19.3356   -19.1874   -25.5060	C.3	1	noname	-0.0011
97	C3    17.8077   -19.1450   -25.4197	C.3	1	noname	0.0693
98	C4    17.4935   -18.0715   -24.3816	C.3	1	noname	0.0329
99	C5    17.6348   -12.5106   -16.6035	C.3	1	noname	0.0932
100	C6    16.2829   -11.9722   -16.1410	C.3	1	noname	-0.0011
101	C7    16.3646   -11.9323   -14.6241	C.3	1	noname	0.0693
102	C8    18.8491   -16.4076   -23.1635	C.2	1	noname	0.0561
103	C9    17.8712   -12.0234   -14.3295	C.3	1	noname	0.0329
104	C10    21.0758   -17.6337   -24.6279	C.2	1	noname	0.0497
105	C11    17.8956   -15.2551   -23.2886	C.3	1	noname	0.1137
106	C12    17.8534   -14.6718   -24.7407	C.3	1	noname	0.0755
107	C13    17.8534   -12.0753   -18.0032	C.2	1	noname	0.0486
108	C14    19.8942   -11.7130   -15.8011	C.2	1	noname	0.0560
109	C15    20.7634   -10.8880   -14.9102	C.3	1	noname	0.1112
110	C16    23.3957   -17.0169   -23.8430	C.3	1	noname	0.0965
111	C17    18.1204   -12.9268   -20.3240	C.3	1	noname	0.0766
112	C18    17.8039   -14.1552   -21.0696	C.2	1	noname	0.0483
113	C19    19.1598   -14.0429   -25.2604	C.3	1	noname	-0.0369
114	C20    22.1837   -11.4455   -14.7743	C.3	1	noname	0.0675
115	C21    24.3836   -17.7653   -22.9200	C.3	1	noname	0.0146
116	C22    24.0144   -16.4910   -25.1031	C.2	1	noname	0.0503
117	C23    20.0189    -8.5008   -15.3252	C.2	1	noname	0.0499
118	C24    18.7518    -8.3308   -14.5603	C.3	1	noname	0.0878
119	C25    18.6028    -6.8676   -14.1389	C.3	1	noname	-0.0288
120	C26    23.6685   -15.0106   -27.1188	C.3	1	noname	0.1109
121	C27    17.1745    -6.6209   -13.6488	C.3	1	noname	-0.0501
122	C28    23.6026   -16.1156   -28.2032	C.3	1	noname	0.0675
123	C29    17.0255    -5.1577   -13.2274	C.3	1	noname	-0.0408
124	C30    22.7511   -13.8672   -27.3844	C.2	1	noname	0.0504
125	C31    19.3044    -9.2143   -12.3648	C.2	1	noname	0.0494
126	C32    15.5973    -4.9110   -12.7373	C.3	1	noname	-0.0076
127	C33    20.4910    -8.3636   -12.3629	C.3	1	noname	0.0878
128	C34    21.9450   -11.6714   -26.5897	C.3	1	noname	0.0878
129	C35    22.0427   -10.9509   -25.2319	C.3	1	noname	-0.0276
130	C36    20.4263    -7.4007   -11.1756	C.3	1	noname	0.0140
131	C37    21.8472   -11.8239   -23.9671	C.3	1	noname	-0.0382
132	C38    22.1024   -10.7463   -27.7438	C.2	1	noname	0.0485
133	C39    21.3456   -10.8742   -22.8699	C.3	1	noname	0.0024
134	C40    23.5301    -9.4181   -29.2582	C.3	1	noname	0.0766
135	C41    24.9054    -8.9341   -29.3761	C.2	1	noname	0.0477
136	C42    21.7311   -10.4707   -20.4549	C.2	1	noname	-0.1456
137	C43    26.7201    -7.5791   -28.3455	C.3	1	noname	0.0885
138	C44    26.8291    -6.0309   -28.3069	C.3	1	noname	-0.0197
139	C45    27.1875    -8.2236   -27.0859	C.2	1	noname	0.0493
140	C46    26.5177    -5.2564   -29.5961	C.3	1	noname	-0.0050
141	C47    27.3321   -10.3662   -25.8115	C.3	1	noname	0.0878
142	C48    18.1134     8.7552   -27.4667	C.3	1	noname	0.0880
143	C49    16.8369     9.3610   -26.8053	C.3	1	noname	-0.0265
144	C50    20.8150     8.9805   -24.6682	C.3	1	noname	0.0880
145	C51    20.7000    10.4778   -24.2983	C.3	1	noname	-0.0265
146	C52    16.7890    10.8974   -26.6954	C.3	1	noname	-0.0451
147	C53    22.0078    11.1476   -23.8466	C.3	1	noname	-0.0451
148	C54    27.7824   -11.7455   -26.3403	C.3	1	noname	-0.0276
149	C55    19.5917     8.5700   -25.4249	C.2	1	noname	0.0493
150	C56    18.2281     9.0029   -28.9479	C.2	1	noname	0.0494
151	C57    26.1691   -10.4210   -24.8842	C.2	1	noname	0.0494
152	C58    29.0871   -11.7955   -27.1619	C.3	1	noname	-0.0382
153	C59    15.4789    11.3203   -26.0277	C.3	1	noname	-0.0627
154	C60    17.9706    11.3856   -25.8548	C.3	1	noname	-0.0627
155	C61    19.5247     8.5625   -31.0700	C.3	1	noname	0.0918
156	C62    21.7404    12.6173   -23.5160	C.3	1	noname	-0.0627
157	C63    23.0416    11.0577   -24.9710	C.3	1	noname	-0.0627
158	C64    21.0203     8.7795   -31.4790	C.3	1	noname	-0.0035
159	C65    22.0663     7.3068   -23.2428	C.2	1	noname	0.0497
160	C66    22.0772     6.3031   -22.1268	C.3	1	noname	0.0965
161	C67    29.2119   -13.2870   -27.4978	C.3	1	noname	0.0024
162	C68    18.9294     7.3058   -31.6535	C.2	1	noname	0.0500
163	C69    26.4312    -2.4380   -30.6965	C.3	1	noname	-0.0184
164	C70    24.7771    -9.1091   -23.2845	C.3	1	noname	0.0970
165	C71    21.8570     9.7999   -30.7846	C.2	1	noname	-0.0660
166	C72    16.8074     6.0497   -32.1639	C.3	1	noname	0.1109
167	C73    22.7704     7.0002   -20.9495	C.3	1	noname	0.0146
168	C74    25.5001    -8.9851   -21.9149	C.3	1	noname	0.0577
169	C75    20.8804     2.1178   -31.8090	C.3	1	noname	0.0878
170	C76    23.9039    -7.9484   -23.5916	C.2	1	noname	0.0498
171	C77    22.3772     3.7661   -22.2914	C.2	1	noname	0.0506
172	C78    17.5281     2.9315   -30.0269	C.3	1	noname	0.0960
173	C79    20.9703     1.8502   -33.3362	C.3	1	noname	-0.0288
174	C80    17.1627     4.6458   -31.8268	C.2	1	noname	0.0505
175	C81    23.2396     2.6185   -22.7205	C.3	1	noname	0.1109
176	C82    22.5583     9.4284   -29.6312	C.2	1	noname	-0.0475
177	C83    22.0608    11.1280   -31.3192	C.2	1	noname	-0.0475
178	C84    15.3261     6.2871   -31.8126	C.3	1	noname	0.0675
179	C85    21.0951     2.4251   -26.2550	C.3	1	noname	0.0878
180	C86    20.4309     2.9585   -34.2579	C.3	1	noname	-0.0501
181	C87    19.8659     2.0750   -25.3724	C.3	1	noname	-0.0276
182	C88    18.9434     2.4886   -30.2223	C.2	1	noname	0.0495
183	C89    21.6273     4.9331   -29.2431	C.3	1	noname	0.0878
184	C90    21.6469     1.0894   -31.0263	C.2	1	noname	0.0495
185	C91    22.9176     0.5685   -28.9060	C.3	1	noname	0.0965
186	C92    17.0460     2.7900   -28.5420	C.3	1	noname	0.0452
187	C93    20.5069     2.4539   -35.6985	C.3	1	noname	-0.0408
188	C94    20.9777     6.2561   -28.8047	C.3	1	noname	-0.0276
189	C95    23.3489    10.2941   -28.8701	C.2	1	noname	-0.0312
190	C96    22.9341    11.9927   -30.5431	C.2	1	noname	-0.0312
191	C97    22.3665    -6.8773   -25.2111	C.3	1	noname	0.0965
192	C98    20.8439     3.5810   -27.1984	C.2	1	noname	0.0493
193	C99    24.2562     2.3187   -21.6010	C.3	1	noname	0.0675
194	C100    19.5876     3.1814   -24.3223	C.3	1	noname	-0.0382
195	C101    30.7212   -14.8441   -28.6772	C.2	1	noname	-0.1456
196	C102    26.2432   -10.1665   -21.4635	C.2	1	noname	0.1358
197	C103    21.9208    -0.8192   -23.9284	C.3	1	noname	0.1135
198	C104    22.7711     1.0616   -27.5020	C.2	1	noname	0.0497
199	C105    23.5396    11.5928   -29.3376	C.2	1	noname	-0.0019
200	C106    21.4171     6.9656   -27.5150	C.3	1	noname	-0.0382
201	C107    22.9039     0.2752   -23.6524	C.2	1	noname	0.0511
202	C108    22.9364     5.1585   -29.9557	C.2	1	noname	0.0497
203	C109    24.3686     0.4354   -29.4306	C.3	1	noname	0.0146
204	C110    19.9600     3.5159   -36.6533	C.3	1	noname	-0.0076
205	C111    18.1749     3.0925   -23.7476	C.3	1	noname	0.0024
206	C112    21.0995    -1.2703   -22.6782	C.3	1	noname	0.0755
207	C113    23.1890    -5.7674   -25.7471	C.2	1	noname	0.0499
208	C114    21.3953    -7.4035   -26.2811	C.3	1	noname	0.0146
209	C115    22.8956     7.1384   -27.1422	C.3	1	noname	0.0024
210	C116    23.2753    -3.3826   -26.4418	C.3	1	noname	0.0965
211	C117    16.4961     3.9348   -27.7905	C.2	1	noname	0.0335
212	C118    25.0461     4.2062   -30.9154	C.3	1	noname	0.1040
213	C119    22.5112    -2.2213   -25.9196	C.2	1	noname	0.0503
214	C120    26.1926     3.9732   -29.8796	C.3	1	noname	-0.0024
215	C121    21.9088    -1.9108   -21.5341	C.3	1	noname	-0.0369
216	C122    23.4051    -3.4554   -27.9832	C.3	1	noname	0.0146
217	C123    26.2885     4.8113   -28.6359	C.2	1	noname	-0.0660
218	C124    25.0213     3.2247   -32.0350	C.2	1	noname	0.1442
219	C125    16.9646     1.4983   -22.3006	C.2	1	noname	-0.1456
220	C126    23.2103     5.0218   -25.9323	C.2	1	noname	-0.1456
221	C127    26.2291     4.1724   -27.3729	C.2	1	noname	-0.0475
222	C128    26.4913     6.2139   -28.6532	C.2	1	noname	-0.0475
223	C129    26.3136     4.9120   -26.1721	C.2	1	noname	-0.0312
224	C130    26.5306     6.9587   -27.4554	C.2	1	noname	-0.0312
225	C131    26.3925     6.3140   -26.2131	C.2	1	noname	-0.0019
226	H1    20.0655   -19.1335   -23.4835	H	1	noname	0.0569
227	H2    19.6739   -20.2221   -25.4520	H	1	noname	0.0314
228	H3    19.6510   -18.6669   -26.4102	H	1	noname	0.0314
229	H4    17.4139   -20.1099   -25.1001	H	1	noname	0.0614
230	H5    16.9372   -18.5159   -23.5564	H	1	noname	0.0462
231	H6    16.9201   -17.2328   -24.7763	H	1	noname	0.0462
232	H7    17.5355   -13.6018   -16.5802	H	1	noname	0.0569
233	H8    15.4944   -12.6609   -16.4444	H	1	noname	0.0314
234	H9    16.1566   -10.9570   -16.5174	H	1	noname	0.0314
235	H10    15.7661   -12.7504   -14.2079	H	1	noname	0.0614
236	H11    18.0787   -12.9403   -13.7779	H	1	noname	0.0462
237	H12    18.2398   -11.2254   -13.6850	H	1	noname	0.0462
238	H13    16.8908   -15.6291   -23.0686	H	1	noname	0.0594
239	H14    17.5766   -15.4525   -25.4489	H	1	noname	0.0619
240	H15    17.4981   -19.4355   -27.3499	H	1	noname	0.2104
241	H16    22.2783   -18.7266   -23.4944	H	1	noname	0.1319
242	H17    18.6685   -13.4205   -22.7022	H	1	noname	0.1319
243	H18    20.3819   -10.8469   -13.8949	H	1	noname	0.0591
244	H19    23.0729   -16.1556   -23.2532	H	1	noname	0.0575
245	H20    17.5661   -13.9354   -18.6347	H	1	noname	0.1316
246	H21    14.9526   -10.5741   -14.4282	H	1	noname	0.2104
247	H22    17.5665   -12.0903   -20.7500	H	1	noname	0.0529
248	H23    19.1470   -12.5981   -20.4862	H	1	noname	0.0529
249	H24    19.9620   -14.7793   -25.2117	H	1	noname	0.0257
250	H25    19.0231   -13.7223   -26.2931	H	1	noname	0.0257
251	H26    19.4190   -13.1820   -24.6440	H	1	noname	0.0257
252	H27    22.6556   -11.4809   -15.7562	H	1	noname	0.0585
253	H28    22.7652   -10.8014   -14.1147	H	1	noname	0.0585
254	H29    21.5847    -9.4046   -16.0557	H	1	noname	0.1319
255	H30    24.6654   -18.7120   -23.3810	H	1	noname	0.0399
256	H31    25.2741   -17.1549   -22.7699	H	1	noname	0.0399
257	H32    15.9789   -14.0531   -24.6122	H	1	noname	0.2105
258	H33    17.9474    -8.4438   -15.2871	H	1	noname	0.0566
259	H34    22.5222   -15.2085   -25.4191	H	1	noname	0.1319
260	H35    19.3057    -6.6475   -13.3354	H	1	noname	0.0287
261	H36    18.8112    -6.2210   -14.9913	H	1	noname	0.0287
262	H37    24.6916   -14.6280   -27.1088	H	1	noname	0.0590
263	H38    23.0365   -13.1118   -14.1414	H	1	noname	0.2101
264	H39    23.2466   -16.9006   -20.7564	H	1	noname	0.1022
265	H40    16.9661    -7.2675   -12.7965	H	1	noname	0.0268
266	H41    16.4716    -6.8410   -14.4523	H	1	noname	0.0268
267	H42    17.6832    -9.7652   -13.4158	H	1	noname	0.1318
268	H43    22.5947   -16.5289   -28.2400	H	1	noname	0.0585
269	H44    24.3111   -16.9071   -27.9590	H	1	noname	0.0585
270	H45    17.7284    -4.9376   -12.4239	H	1	noname	0.0279
271	H46    17.2339    -4.5110   -14.0798	H	1	noname	0.0279
272	H47    23.6100   -12.7312   -25.9742	H	1	noname	0.1318
273	H48    15.3888    -5.5576   -11.8850	H	1	noname	0.0425
274	H49    14.8943    -5.1311   -13.5408	H	1	noname	0.0425
275	H50    20.5310    -7.7936   -13.2911	H	1	noname	0.0568
276	H51    20.9262   -12.0674   -26.6170	H	1	noname	0.0566
277	H52    21.3395   -10.1184   -25.2110	H	1	noname	0.0288
278	H53    23.0355   -10.5091   -25.1473	H	1	noname	0.0288
279	H54    23.8906   -16.2575   -30.1529	H	1	noname	0.2101
280	H55    20.3863    -7.9707   -10.2473	H	1	noname	0.0398
281	H56    19.5343    -6.7799   -11.2595	H	1	noname	0.0398
282	H57    21.0909   -12.5839   -24.1635	H	1	noname	0.0280
283	H58    22.7590   -12.3469   -23.6786	H	1	noname	0.0280
284	H59    14.5008    -3.3480   -12.0073	H	1	noname	0.1184
285	H60    15.6503    -2.9065   -13.1339	H	1	noname	0.1184
286	H61    21.6499    -9.7307   -11.3800	H	1	noname	0.1191
287	H62    21.7306    -9.8395   -13.0434	H	1	noname	0.1191
288	H63    20.2595   -10.9373   -22.8033	H	1	noname	0.0432
289	H64    21.6144    -9.8474   -23.1179	H	1	noname	0.0432
290	H65    24.0906   -10.4511   -27.5462	H	1	noname	0.1316
291	H66    21.9391    -5.6409   -12.3314	H	1	noname	0.1022
292	H67    22.8468    -8.5691   -29.2370	H	1	noname	0.0529
293	H68    23.2591   -10.0572   -30.0986	H	1	noname	0.0529
294	H69    22.8605   -11.3507   -21.6937	H	1	noname	0.1306
295	H70    24.7129    -7.6370   -27.8690	H	1	noname	0.1318
296	H71    27.3563    -7.9423   -29.1597	H	1	noname	0.0566
297	H72    26.2158    -5.6436   -27.4933	H	1	noname	0.0296
298	H73    27.8617    -5.7748   -28.0695	H	1	noname	0.0296
299	H74    22.1610   -10.2768   -18.6435	H	1	noname	0.1267
300	H75    22.1568   -11.7688   -19.1753	H	1	noname	0.1267
301	H76    20.8725    -9.0361   -19.4980	H	1	noname	0.1898
302	H77    25.4623    -5.3714   -29.8431	H	1	noname	0.0380
303	H78    27.1108    -5.6105   -30.4393	H	1	noname	0.0380
304	H79    26.6341   -10.0358   -27.7220	H	1	noname	0.1318
305	H80    28.1720    -9.9608   -25.2398	H	1	noname	0.0566
306	H81    17.9825     7.6742   -27.3959	H	1	noname	0.0566
307	H82    15.9513     9.0068   -27.3329	H	1	noname	0.0290
308	H83    16.8077     8.9967   -25.7784	H	1	noname	0.0290
309	H84    21.6479     8.8689   -25.3556	H	1	noname	0.0566
310	H85    19.9415    10.6039   -23.5257	H	1	noname	0.0290
311	H86    20.3906    11.0110   -25.1972	H	1	noname	0.0290
312	H87    16.8467    11.3349   -27.6920	H	1	noname	0.0298
313	H88    22.3892    10.6395   -22.9609	H	1	noname	0.0298
314	H89    26.9734   -12.1959   -26.9154	H	1	noname	0.0288
315	H90    27.9615   -12.3949   -25.4834	H	1	noname	0.0288
316	H91    19.9143     9.7190   -27.0701	H	1	noname	0.1318
317	H92    20.3806     8.2847   -22.7582	H	1	noname	0.1318
318	H93    28.9591   -11.2254   -28.0821	H	1	noname	0.0280
319	H94    29.9513   -11.4007   -26.6277	H	1	noname	0.0280
320	H95    17.9367    12.4723   -25.7771	H	1	noname	0.0233
321	H96    15.4451    12.4070   -25.9500	H	1	noname	0.0233
322	H97    14.6372    10.9725   -26.6265	H	1	noname	0.0233
323	H98    15.4212    10.8828   -25.0311	H	1	noname	0.0233
324	H99    17.9129    10.9480   -24.8582	H	1	noname	0.0233
325	H100    18.9039    11.0842   -26.3305	H	1	noname	0.0233
326	H101    19.0008     9.4081   -31.5170	H	1	noname	0.0569
327	H102    22.6677    13.0922   -23.1958	H	1	noname	0.0233
328	H103    21.0039    12.6813   -22.7150	H	1	noname	0.0233
329	H104    21.3589    13.1254   -24.4017	H	1	noname	0.0233
330	H105    23.9689    11.5327   -24.6507	H	1	noname	0.0233
331	H106    22.6602    11.5658   -25.8567	H	1	noname	0.0233
332	H107    23.2321    10.0107   -25.2065	H	1	noname	0.0233
333	H108    20.0614     8.2780   -29.0988	H	1	noname	0.1319
334	H109    21.0842     8.9296   -32.5567	H	1	noname	0.0337
335	H110    21.4753     7.8336   -31.1852	H	1	noname	0.0337
336	H111    21.0579     6.0760   -21.8002	H	1	noname	0.0575
337	H112    28.3168   -13.6168   -28.0251	H	1	noname	0.0432
338	H113    29.2829   -13.8585   -26.5723	H	1	noname	0.0432
339	H114    26.2569    -8.4509   -24.5742	H	1	noname	0.1319
340	H115    26.6564    -1.3961   -30.4688	H	1	noname	0.0343
341	H116    25.3664    -2.5424   -30.9047	H	1	noname	0.0343
342	H117    27.0045    -2.7514   -31.5689	H	1	noname	0.0343
343	H118    24.1185    -9.9771   -23.2379	H	1	noname	0.0571
344	H119    17.0996     7.7104   -30.9768	H	1	noname	0.1319
345	H120    16.8800     6.1925   -33.2455	H	1	noname	0.0590
346	H121    22.2483     7.9288   -20.7187	H	1	noname	0.0399
347	H122    23.8041     7.2210   -21.2156	H	1	noname	0.0399
348	H123    23.7287     5.1917   -22.6730	H	1	noname	0.1319
349	H124    24.7808    -8.6938   -21.1495	H	1	noname	0.0394
350	H125    26.1973    -8.1529   -22.0119	H	1	noname	0.0394
351	H126    30.4721   -12.9940   -28.9874	H	1	noname	0.1306
352	H127    21.3823     3.0765   -31.6561	H	1	noname	0.0566
353	H128    16.9076     2.2333   -30.5935	H	1	noname	0.0571
354	H129    20.4728     0.9090   -33.5701	H	1	noname	0.0287
355	H130    22.0182     1.7108   -33.6021	H	1	noname	0.0287
356	H131    23.8080     2.9151   -23.6030	H	1	noname	0.0590
357	H132    22.5271     8.4835   -29.3591	H	1	noname	0.0626
358	H133    21.5937    11.4647   -32.2792	H	1	noname	0.0626
359	H134    14.7130     5.5203   -32.2862	H	1	noname	0.0585
360	H135    15.1969     6.2390   -30.7313	H	1	noname	0.0585
361	H136    21.8935     2.5714   -25.5277	H	1	noname	0.0566
362	H137    17.2352     4.9785   -29.8781	H	1	noname	0.1319
363	H138    19.3929     3.1710   -34.0016	H	1	noname	0.0268
364	H139    20.9764     3.8932   -34.1279	H	1	noname	0.0268
365	H140    18.8485     2.2806   -32.1986	H	1	noname	0.1318
366	H141    18.9884     1.9464   -26.0060	H	1	noname	0.0288
367	H142    20.0423     1.1499   -24.8236	H	1	noname	0.0288
368	H143    20.9366     4.5508   -30.0045	H	1	noname	0.0566
369	H144    22.4660    -0.4204   -28.9244	H	1	noname	0.0575
370	H145    16.3669     1.9414   -28.4597	H	1	noname	0.0382
371	H146    17.9847     2.5859   -28.0268	H	1	noname	0.0382
372	H147    23.2913    -8.7272   -25.3315	H	1	noname	0.1319
373	H148    19.9192     1.5411   -35.7952	H	1	noname	0.0279
374	H149    21.5348     2.2225   -35.9779	H	1	noname	0.0279
375	H150    19.8932     6.1470   -28.8080	H	1	noname	0.0288
376	H151    21.2065     6.9375   -29.6240	H	1	noname	0.0288
377	H152    23.7972     9.9737   -28.0023	H	1	noname	0.0650
378	H153    23.1238    12.9278   -30.8859	H	1	noname	0.0650
379	H154    21.5226     1.4734   -22.8668	H	1	noname	0.1319
380	H155    19.7332     4.1604   -24.7787	H	1	noname	0.0280
381	H156    20.3241     3.0555   -23.5288	H	1	noname	0.0280
382	H157    24.8163     3.2241   -21.3668	H	1	noname	0.0585
383	H158    24.9444     1.5416   -21.9336	H	1	noname	0.0585
384	H159    20.7792     0.8602   -27.5520	H	1	noname	0.1318
385	H160    22.0478     2.3367   -29.5334	H	1	noname	0.1319
386	H161    21.7554    -6.5049   -24.3832	H	1	noname	0.0575
387	H162    21.4492     5.6447   -19.1779	H	1	noname	0.1022
388	H163    22.5638     3.4406   -28.1898	H	1	noname	0.1318
389	H164    21.1831    -0.3848   -24.6061	H	1	noname	0.0593
390	H165    20.8751     6.5467   -26.6671	H	1	noname	0.0280
391	H166    21.0206     7.9734   -27.6391	H	1	noname	0.0280
392	H167    24.3554    -0.0021   -30.4289	H	1	noname	0.0399
393	H168    24.8318     1.4212   -29.4721	H	1	noname	0.0399
394	H169    18.9211     3.7297   -36.4023	H	1	noname	0.0425
395	H170    20.5511     4.4270   -36.5605	H	1	noname	0.0425
396	H171    17.4561     3.0049   -24.5623	H	1	noname	0.0432
397	H172    17.9401     3.9774   -23.1560	H	1	noname	0.0432
398	H173    20.5749    -0.4081   -22.2622	H	1	noname	0.0619
399	H174    13.9859     7.7183   -32.0570	H	1	noname	0.2101
400	H175    22.9791     7.8140   -26.2909	H	1	noname	0.0432
401	H176    23.4326     7.5845   -27.9792	H	1	noname	0.0432
402	H177    20.7692    -8.1850   -25.8506	H	1	noname	0.0399
403	H178    21.9627    -7.8121   -27.1174	H	1	noname	0.0399
404	H179    23.0245    -2.5762   -24.0172	H	1	noname	0.1319
405	H180    24.2921    -3.3247   -26.0403	H	1	noname	0.0575
406	H181    25.2218     5.1821   -31.3772	H	1	noname	0.0581
407	H182    23.4366     3.2349   -30.0754	H	1	noname	0.1319
408	H183    21.6583    -4.4810   -25.7889	H	1	noname	0.1319
409	H184    32.2233   -14.0728   -29.4829	H	1	noname	0.1267
410	H185    31.6175   -15.3198   -30.2491	H	1	noname	0.1267
411	H186    26.2300     2.9177   -29.6103	H	1	noname	0.0337
412	H187    27.0820     4.1940   -30.4699	H	1	noname	0.0337
413	H188    22.6882    -1.2211   -21.2100	H	1	noname	0.0257
414	H189    21.2451    -2.1282   -20.6971	H	1	noname	0.0257
415	H190    22.3654    -2.8360   -21.8856	H	1	noname	0.0257
416	H191    24.2127     1.6851   -19.7299	H	1	noname	0.2101
417	H192    18.7915     1.9621   -22.2522	H	1	noname	0.1306
418	H193    30.3857   -16.7393   -28.7736	H	1	noname	0.1898
419	H194    26.1343   -12.1334   -21.0232	H	1	noname	0.2213
420	H195    24.3666    13.3046   -29.0818	H	1	noname	0.2181
421	H196    23.9124    -2.5621   -28.3477	H	1	noname	0.0399
422	H197    23.9819    -4.3384   -28.2580	H	1	noname	0.0399
423	H198    19.6723     3.7321   -38.6654	H	1	noname	0.1184
424	H199    19.4836     2.1681   -38.1143	H	1	noname	0.1184
425	H200    23.7851     5.4797   -27.6622	H	1	noname	0.1306
426	H201    26.5863    -0.7416   -28.7841	H	1	noname	0.1022
427	H202    17.9646     5.2560   -28.1846	H	1	noname	0.1271
428	H203    16.7528     5.8517   -27.1952	H	1	noname	0.1271
429	H204    19.4942    -1.7842   -23.7155	H	1	noname	0.2105
430	H205    19.4969    -6.5198   -27.8097	H	1	noname	0.1022
431	H206    26.0646     3.1623   -27.3018	H	1	noname	0.0626
432	H207    26.5231     6.7190   -29.5337	H	1	noname	0.0626
433	H208    21.8796    -3.6206   -30.0730	H	1	noname	0.1022
434	H209    26.2319     4.4342   -25.2666	H	1	noname	0.0650
435	H210    26.5785     7.9778   -27.4830	H	1	noname	0.0650
436	H211    24.0413     2.7139   -33.7565	H	1	noname	0.2213
437	H212    17.9869     0.1166   -21.5626	H	1	noname	0.1267
438	H213    16.4941    -0.2722   -21.9227	H	1	noname	0.1267
439	H214    23.4765     3.2848   -25.3279	H	1	noname	0.1267
440	H215    23.5534     3.4722   -26.8989	H	1	noname	0.1267
441	H216    15.0723     1.6488   -21.9804	H	1	noname	0.1898
442	H217    21.6419     5.8000   -25.1354	H	1	noname	0.1898
443	H218    26.3091     7.9874   -25.2658	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	115	1
2	1	264	1
3	2	130	1
4	2	291	1
5	3	140	1
6	3	163	1
7	4	167	1
8	4	387	1
9	5	203	1
10	5	426	1
11	6	208	1
12	6	430	1
13	7	216	1
14	7	433	1
15	97	8	1
16	8	240	1
17	101	9	1
18	9	246	1
19	10	102	2
20	11	104	2
21	106	12	1
22	12	257	1
23	13	107	2
24	14	108	2
25	15	112	2
26	16	114	1
27	16	263	1
28	17	116	2
29	18	117	2
30	19	122	1
31	19	279	1
32	20	124	2
33	21	125	2
34	22	132	2
35	23	135	2
36	24	139	2
37	25	149	2
38	26	150	2
39	27	151	2
40	28	159	2
41	29	162	2
42	30	178	1
43	30	399	1
44	31	170	2
45	32	171	2
46	33	174	2
47	34	182	2
48	35	184	2
49	36	193	1
50	36	416	1
51	37	196	1
52	37	419	1
53	38	199	1
54	38	420	1
55	39	192	2
56	40	196	2
57	41	198	2
58	206	42	1
59	42	429	1
60	43	201	2
61	44	202	2
62	45	207	2
63	46	211	2
64	47	213	2
65	48	218	1
66	48	436	1
67	49	218	2
68	50	225	1
69	50	443	1
70	51	95	1
71	51	98	1
72	51	102	1
73	52	99	1
74	52	103	1
75	52	108	1
76	53	104	1
77	110	53	1
78	53	241	1
79	105	54	1
80	54	112	1
81	54	242	1
82	55	107	1
83	55	111	1
84	55	245	1
85	109	56	1
86	56	117	1
87	56	254	1
88	57	116	1
89	120	57	1
90	57	259	1
91	118	58	1
92	58	125	1
93	58	267	1
94	59	124	1
95	128	59	1
96	59	272	1
97	60	126	1
98	60	284	1
99	60	285	1
100	127	61	1
101	61	286	1
102	61	287	1
103	62	132	1
104	62	134	1
105	62	290	1
106	63	133	1
107	63	136	1
108	63	294	1
109	64	135	1
110	137	64	1
111	64	295	1
112	65	136	1
113	65	299	1
114	65	300	1
115	66	136	2
116	66	301	1
117	67	139	1
118	141	67	1
119	67	304	1
120	142	68	1
121	68	149	1
122	68	316	1
123	144	69	1
124	69	159	1
125	69	317	1
126	70	150	1
127	155	70	1
128	70	333	1
129	71	151	1
130	164	71	1
131	71	339	1
132	72	162	1
133	166	72	1
134	72	344	1
135	160	73	1
136	73	171	1
137	73	348	1
138	74	161	1
139	74	195	1
140	74	351	1
141	172	75	1
142	75	174	1
143	75	362	1
144	169	76	1
145	76	182	1
146	76	365	1
147	77	170	1
148	191	77	1
149	77	372	1
150	175	78	1
151	78	201	1
152	78	379	1
153	179	79	1
154	79	198	1
155	79	384	1
156	80	184	1
157	185	80	1
158	80	385	1
159	183	81	1
160	81	192	1
161	81	388	1
162	197	82	1
163	82	213	1
164	82	404	1
165	83	202	1
166	212	83	1
167	83	407	1
168	84	207	1
169	210	84	1
170	84	408	1
171	85	195	1
172	85	409	1
173	85	410	1
174	86	205	1
175	86	219	1
176	86	417	1
177	87	195	2
178	87	418	1
179	88	204	1
180	88	423	1
181	88	424	1
182	89	209	1
183	89	220	1
184	89	425	1
185	90	211	1
186	90	427	1
187	90	428	1
188	91	219	1
189	91	437	1
190	91	438	1
191	92	220	1
192	92	439	1
193	92	440	1
194	93	219	2
195	93	441	1
196	94	220	2
197	94	442	1
198	95	96	1
199	95	104	1
200	95	226	1
201	96	97	1
202	96	227	1
203	96	228	1
204	97	98	1
205	97	229	1
206	98	230	1
207	98	231	1
208	99	100	1
209	99	107	1
210	99	232	1
211	100	101	1
212	100	233	1
213	100	234	1
214	101	103	1
215	101	235	1
216	102	105	1
217	103	236	1
218	103	237	1
219	105	106	1
220	105	238	1
221	106	113	1
222	106	239	1
223	108	109	1
224	109	114	1
225	109	243	1
226	110	115	1
227	110	116	1
228	110	244	1
229	111	112	1
230	111	247	1
231	111	248	1
232	113	249	1
233	113	250	1
234	113	251	1
235	114	252	1
236	114	253	1
237	115	255	1
238	115	256	1
239	117	118	1
240	118	119	1
241	118	258	1
242	119	121	1
243	119	260	1
244	119	261	1
245	120	122	1
246	120	124	1
247	120	262	1
248	121	123	1
249	121	265	1
250	121	266	1
251	122	268	1
252	122	269	1
253	123	126	1
254	123	270	1
255	123	271	1
256	125	127	1
257	126	273	1
258	126	274	1
259	127	130	1
260	127	275	1
261	128	129	1
262	128	132	1
263	128	276	1
264	129	131	1
265	129	277	1
266	129	278	1
267	130	280	1
268	130	281	1
269	131	133	1
270	131	282	1
271	131	283	1
272	133	288	1
273	133	289	1
274	134	135	1
275	134	292	1
276	134	293	1
277	137	138	1
278	137	139	1
279	137	296	1
280	138	140	1
281	138	297	1
282	138	298	1
283	140	302	1
284	140	303	1
285	141	148	1
286	141	151	1
287	141	305	1
288	142	143	1
289	142	150	1
290	142	306	1
291	143	146	1
292	143	307	1
293	143	308	1
294	144	145	1
295	144	149	1
296	144	309	1
297	145	147	1
298	145	310	1
299	145	311	1
300	146	153	1
301	146	154	1
302	146	312	1
303	147	156	1
304	147	157	1
305	147	313	1
306	148	152	1
307	148	314	1
308	148	315	1
309	152	161	1
310	152	318	1
311	152	319	1
312	153	321	1
313	153	322	1
314	153	323	1
315	154	320	1
316	154	324	1
317	154	325	1
318	155	158	1
319	155	162	1
320	155	326	1
321	156	327	1
322	156	328	1
323	156	329	1
324	157	330	1
325	157	331	1
326	157	332	1
327	158	165	1
328	158	334	1
329	158	335	1
330	159	160	1
331	160	167	1
332	160	336	1
333	161	337	1
334	161	338	1
335	163	340	1
336	163	341	1
337	163	342	1
338	164	168	1
339	164	170	1
340	164	343	1
341	165	176	2
342	165	177	1
343	166	174	1
344	166	178	1
345	166	345	1
346	167	346	1
347	167	347	1
348	168	196	1
349	168	349	1
350	168	350	1
351	169	173	1
352	169	184	1
353	169	352	1
354	171	175	1
355	172	182	1
356	172	186	1
357	172	353	1
358	173	180	1
359	173	354	1
360	173	355	1
361	175	193	1
362	175	356	1
363	176	189	1
364	176	357	1
365	177	190	2
366	177	358	1
367	178	359	1
368	178	360	1
369	179	181	1
370	179	192	1
371	179	361	1
372	180	187	1
373	180	363	1
374	180	364	1
375	181	194	1
376	181	366	1
377	181	367	1
378	183	188	1
379	183	202	1
380	183	368	1
381	185	198	1
382	185	203	1
383	185	369	1
384	186	211	1
385	186	370	1
386	186	371	1
387	187	204	1
388	187	373	1
389	187	374	1
390	188	200	1
391	188	375	1
392	188	376	1
393	189	199	2
394	189	377	1
395	190	199	1
396	190	378	1
397	191	207	1
398	191	208	1
399	191	386	1
400	193	382	1
401	193	383	1
402	194	205	1
403	194	380	1
404	194	381	1
405	197	201	1
406	197	206	1
407	197	389	1
408	200	209	1
409	200	390	1
410	200	391	1
411	203	392	1
412	203	393	1
413	204	394	1
414	204	395	1
415	205	396	1
416	205	397	1
417	206	215	1
418	206	398	1
419	208	402	1
420	208	403	1
421	209	400	1
422	209	401	1
423	210	213	1
424	210	216	1
425	210	405	1
426	212	214	1
427	212	218	1
428	212	406	1
429	214	217	1
430	214	411	1
431	214	412	1
432	215	413	1
433	215	414	1
434	215	415	1
435	216	421	1
436	216	422	1
437	217	221	2
438	217	222	1
439	221	223	1
440	221	431	1
441	222	224	2
442	222	432	1
443	223	225	2
444	223	434	1
445	224	225	1
446	224	435	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
