@<TRIPOS>MOLECULE
DB02995
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.4748    -1.0500     1.1070	N.4	1	noname	-0.0072
2	C1    -0.1105    -0.1619     0.0043	C.3	1	noname	-0.0028
3	C2     1.4340    -0.2518    -0.2509	C.3	1	noname	-0.0016
4	C3    -0.7246     1.2607     0.2536	C.3	1	noname	-0.0016
5	C4     2.0900     1.0643    -0.7659	C.3	1	noname	-0.0469
6	C5     0.2946     2.3347     0.7454	C.3	1	noname	-0.0469
7	C6     1.6575     2.3711    -0.0206	C.3	1	noname	-0.0527
8	H1    -0.3772    -2.0109     0.8117	H	1	noname	0.2556
9	H2     0.1337    -0.8763     1.8942	H	1	noname	0.2556
10	H3    -1.4324    -0.8763     1.3769	H	1	noname	0.2556
11	H4    -0.5809    -0.5313    -0.9070	H	1	noname	0.0977
12	H5     1.8843    -0.4396     0.7238	H	1	noname	0.0336
13	H6     1.5590    -0.9743    -1.0573	H	1	noname	0.0336
14	H7    -1.0688     1.6093    -0.7201	H	1	noname	0.0336
15	H8    -1.4354     1.1372     1.0707	H	1	noname	0.0336
16	H9     3.1558     0.9531    -0.5663	H	1	noname	0.0269
17	H10     1.7366     1.1816    -1.7903	H	1	noname	0.0269
18	H11    -0.1782     3.2961     0.5451	H	1	noname	0.0269
19	H12     0.5425     2.0519     1.7684	H	1	noname	0.0269
20	H13     2.4130     2.5227     0.7504	H	1	noname	0.0266
21	H14     1.5228     3.1154    -0.8054	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	6	7	1
8	1	8	1
9	1	9	1
10	1	10	1
11	2	11	1
12	3	12	1
13	3	13	1
14	4	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	7	20	1
21	7	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1