@<TRIPOS>MOLECULE
DB02690
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0408    -1.0709     0.0000	O.2	1	noname	-0.2887
2	C1     1.3816    -0.0088     0.0000	C.2	1	noname	0.0509
3	N1     2.0471     1.1926    -0.0000	N.3	1	noname	0.0381
4	C2    -0.0429    -0.0744     0.0000	C.2	1	noname	0.0328
5	C3     1.3898     2.4072    -0.0000	C.2	1	noname	-0.0144
6	C4    -0.6985     1.1921     0.0000	C.2	1	noname	0.0599
7	C5    -0.6873    -1.1905     0.5207	C.2	1	noname	-0.0207
8	N2     0.0093     2.3692    -0.0000	N.2	1	noname	-0.2138
9	C6     2.1198     3.6716    -0.0000	C.3	1	noname	-0.0113
10	C7    -2.0874     1.2368     0.0302	C.2	1	noname	0.0476
11	C8    -1.9707    -1.0722     1.0414	C.2	1	noname	-0.0382
12	O2    -2.7779     2.3009    -0.4320	O.3	1	noname	-0.2745
13	C9    -2.7508     0.0760     0.5861	C.2	1	noname	-0.0069
14	H1     3.0571     1.1827    -0.0000	H	1	noname	0.1386
15	H2    -0.1863    -2.1585     0.5207	H	1	noname	0.0631
16	H3     2.3015     3.9863     1.0277	H	1	noname	0.0306
17	H4     3.0722     3.5413    -0.5138	H	1	noname	0.0306
18	H5     1.5307     4.4312    -0.5138	H	1	noname	0.0306
19	H6    -2.3350    -1.8178     1.7481	H	1	noname	0.0623
20	H7    -3.1102     2.8130     0.3088	H	1	noname	0.2182
21	H8    -3.8381     0.0664     0.6618	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	6	8	1
11	7	11	2
12	10	12	1
13	10	13	2
14	11	13	1
15	3	14	1
16	7	15	1
17	9	16	1
18	9	17	1
19	9	18	1
20	11	19	1
21	12	20	1
22	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1