@<TRIPOS>MOLECULE
DB04186
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4059    -1.4704    -1.0239	O.2	1	noname	-0.2939
2	C1     1.1325    -0.3042    -0.6668	C.2	1	noname	0.0204
3	N1     1.8315     0.9513    -1.0445	N.3	1	noname	-0.0621
4	C2     0.0617     0.1289     0.2094	C.2	1	noname	0.0062
5	C3     1.0380     2.1063    -0.5631	C.3	1	noname	0.0448
6	C4     1.8345     1.0356    -2.5129	C.3	1	noname	0.0068
7	C5     0.0971     1.5140     0.3933	C.2	1	noname	0.0210
8	C6    -0.9261    -0.6736     0.8317	C.2	1	noname	-0.0151
9	C7     0.2921     2.7171    -1.7685	C.3	1	noname	-0.0316
10	C8     1.2497     2.3964    -2.9089	C.3	1	noname	-0.0380
11	C9    -0.7611     2.1207     1.3387	C.2	1	noname	0.0037
12	C10    -1.8632    -0.0903     1.7196	C.2	1	noname	-0.0376
13	N2    -0.5635     3.4591     1.4873	N.3	1	noname	-0.1213
14	C11    -1.7606     1.2982     1.9880	C.2	1	noname	-0.0161
15	C12    -1.6624     4.2421     1.8440	C.2	1	noname	0.1260
16	O2    -2.7597     3.6487     1.9233	O.2	1	noname	-0.2531
17	N3    -1.6806     5.6153     2.1238	N.3	1	noname	-0.0994
18	C13    -2.8716     6.2094     2.4710	C.2	1	noname	0.0367
19	N4    -2.7763     7.5585     2.6987	N.2	1	noname	-0.2306
20	C14    -4.1632     5.5707     2.6096	C.2	1	noname	-0.0020
21	C15    -3.8255     8.3865     3.0565	C.2	1	noname	0.0031
22	C16    -5.2740     6.3694     2.9738	C.2	1	noname	-0.0347
23	C17    -5.0910     7.7697     3.1931	C.2	1	noname	-0.0294
24	H1     1.6391     2.8713    -0.0715	H	1	noname	0.0523
25	H2     2.8802     1.0205    -2.8200	H	1	noname	0.0436
26	H3     1.1512     0.2637    -2.8670	H	1	noname	0.0436
27	H4    -0.9653    -1.7435     0.6267	H	1	noname	0.0630
28	H5    -0.6294     2.1573    -1.9283	H	1	noname	0.0286
29	H6     0.2579     3.7995    -1.6452	H	1	noname	0.0286
30	H7     2.0549     3.1308    -2.8877	H	1	noname	0.0280
31	H8     0.6591     2.2611    -3.8150	H	1	noname	0.0280
32	H9    -2.6427    -0.6942     2.1842	H	1	noname	0.0623
33	H10     0.3550     3.8525     1.3399	H	1	noname	0.1385
34	H11    -2.4576     1.7381     2.7013	H	1	noname	0.0639
35	H12    -0.8403     6.1736     2.0754	H	1	noname	0.1400
36	H13    -4.2975     4.5020     2.4419	H	1	noname	0.0656
37	H14    -3.6660     9.4524     3.2197	H	1	noname	0.0839
38	H15    -6.2574     5.9121     3.0838	H	1	noname	0.0624
39	H16    -5.9442     8.3874     3.4737	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	7	1
10	6	10	1
11	7	11	1
12	8	12	2
13	9	10	1
14	11	13	1
15	11	14	2
16	12	14	1
17	13	15	1
18	15	16	2
19	15	17	1
20	17	18	1
21	18	19	2
22	18	20	1
23	19	21	1
24	20	22	2
25	21	23	2
26	22	23	1
27	5	24	1
28	6	25	1
29	6	26	1
30	8	27	1
31	9	28	1
32	9	29	1
33	10	30	1
34	10	31	1
35	12	32	1
36	13	33	1
37	14	34	1
38	17	35	1
39	20	36	1
40	21	37	1
41	22	38	1
42	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1