@<TRIPOS>MOLECULE
71587354
40 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8327     0.6552     0.0078	O.2	1	noname	-0.2901
2	O2    -1.4370     2.7166     2.9609	O.3	1	noname	-0.2138
3	O3    -2.2348     4.3741     1.6614	O.2	1	noname	-0.2494
4	O4    -0.0254     3.6449    -4.1773	O.3	1	noname	-0.2189
5	O5    -1.3222     4.9389    -2.8672	O.2	1	noname	-0.2559
6	N1    -1.2351     1.4807     0.2837	N.3	1	noname	-0.0658
7	N2    -0.5755    -1.8005    -0.4201	N.3	1	noname	-0.3203
8	N3     0.5163    -5.0611     5.1275	N.3	1	noname	-0.3304
9	C1    -0.0455    -1.3434     1.9208	C.3	1	noname	-0.0294
10	C2    -0.8166    -0.8745     0.6853	C.3	1	noname	0.0789
11	C3    -0.5186    -2.7437     2.3161	C.3	1	noname	-0.0501
12	C4    -0.7921     2.7924     0.5510	C.3	1	noname	0.1004
13	C5     0.2525    -3.2127     3.5516	C.3	1	noname	-0.0408
14	C6    -0.3652     0.4617     0.3080	C.2	1	noname	0.0493
15	C7    -1.0581     3.6414    -0.6066	C.3	1	noname	-0.0184
16	C8    -0.2205    -4.6130     3.9469	C.3	1	noname	-0.0076
17	C9    -0.3145     3.0903    -1.8248	C.3	1	noname	0.0355
18	C10    -1.5358     3.3434     1.7693	C.2	1	noname	0.1440
19	C11    -0.5805     3.9393    -2.9824	C.2	1	noname	0.1348
20	H1    -0.2253    -0.6531     2.7449	H	1	noname	0.0287
21	H2     1.0205    -1.3702     1.6952	H	1	noname	0.0287
22	H3    -1.8827    -0.8477     0.9108	H	1	noname	0.0559
23	H4    -1.5846    -2.7169     2.5416	H	1	noname	0.0268
24	H5    -0.3388    -3.4341     1.4919	H	1	noname	0.0268
25	H6     0.2787     2.7799     0.7541	H	1	noname	0.0578
26	H7     0.0728    -2.5223     4.3757	H	1	noname	0.0279
27	H8     1.3186    -3.2395     3.3260	H	1	noname	0.0279
28	H9    -2.1290     3.6538    -0.8096	H	1	noname	0.0293
29	H10    -0.7157     4.6553    -0.3998	H	1	noname	0.0293
30	H11    -2.1695     1.3161     0.0820	H	1	noname	0.1319
31	H12    -1.2866    -4.5862     4.1724	H	1	noname	0.0425
32	H13    -0.0408    -5.3033     3.1227	H	1	noname	0.0425
33	H14    -0.6569     2.0764    -2.0315	H	1	noname	0.0373
34	H15     0.7564     3.0779    -1.6218	H	1	noname	0.0373
35	H16    -1.0906    -1.4872    -1.2454	H	1	noname	0.1191
36	H17    -0.8915    -2.7358    -0.1561	H	1	noname	0.1191
37	H18     0.2003    -5.9964     5.3915	H	1	noname	0.1184
38	H19     0.3477    -4.4138     5.9002	H	1	noname	0.1184
39	H20    -2.1817     2.7530     3.5969	H	1	noname	0.2213
40	H21    -0.4900     3.8853    -5.0060	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	14	2
2	2	18	1
3	2	39	1
4	3	18	2
5	4	19	1
6	4	40	1
7	5	19	2
8	12	6	1
9	6	14	1
10	6	30	1
11	10	7	1
12	7	35	1
13	7	36	1
14	8	16	1
15	8	37	1
16	8	38	1
17	9	10	1
18	9	11	1
19	9	20	1
20	9	21	1
21	10	14	1
22	10	22	1
23	11	13	1
24	11	23	1
25	11	24	1
26	12	15	1
27	12	18	1
28	12	25	1
29	13	16	1
30	13	26	1
31	13	27	1
32	15	17	1
33	15	28	1
34	15	29	1
35	16	31	1
36	16	32	1
37	17	19	1
38	17	33	1
39	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1