@<TRIPOS>MOLECULE
DB01412
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.0879    -1.6663     0.0986	O.2	1	noname	-0.2645
2	C1    -2.2426    -0.7455     0.1085	C.2	1	noname	0.0899
3	N1    -0.9015    -1.0258     0.0195	N.3	1	noname	-0.0884
4	N2    -2.6399     0.5740     0.2094	N.3	1	noname	0.0969
5	C2    -0.0036     0.0060     0.0070	C.2	1	noname	0.0872
6	C3    -0.4552    -2.3610    -0.0581	C.3	1	noname	0.0022
7	C4    -1.7771     1.6402     0.1858	C.2	1	noname	0.0714
8	N3     1.3438    -0.0122    -0.0099	N.2	1	noname	-0.1984
9	C5    -0.3991     1.3471     0.0647	C.2	1	noname	-0.0042
10	O2    -2.1902     2.8171     0.2677	O.2	1	noname	-0.2785
11	C6     1.7447     1.2754    -0.0137	C.2	1	noname	-0.0172
12	N4     0.6896     2.1205     0.0042	N.3	1	noname	0.0017
13	C7     0.7293     3.5295    -0.0334	C.3	1	noname	-0.0510
14	H1    -3.6254     0.7722     0.3068	H	1	noname	0.1418
15	H2    -0.3223    -2.7588     0.9480	H	1	noname	0.0404
16	H3    -1.1933    -2.9604    -0.5912	H	1	noname	0.0404
17	H4     0.4949    -2.3962    -0.5912	H	1	noname	0.0404
18	H5     2.7875     1.5923    -0.0291	H	1	noname	0.1016
19	H6     0.7403     3.9199     0.9842	H	1	noname	0.0436
20	H7     1.6288     3.8538    -0.5568	H	1	noname	0.0436
21	H8    -0.1505     3.9039    -0.5568	H	1	noname	0.0436
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	9	2
9	7	10	2
10	7	9	1
11	8	11	2
12	9	12	1
13	11	12	1
14	12	13	1
15	4	14	1
16	6	15	1
17	6	16	1
18	6	17	1
19	11	18	1
20	13	19	1
21	13	20	1
22	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1