@<TRIPOS>MOLECULE
DB05381
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.3476    -0.0765    -0.2315	N.2	1	noname	-0.2391
2	C1     1.5532     0.2335     0.2649	C.2	1	noname	0.0085
3	C2    -0.3429     1.0662    -0.3736	C.2	1	noname	-0.0534
4	C3     1.6055     1.6113     0.4334	C.2	1	noname	-0.0974
5	C4     2.6231    -0.7106     0.5741	C.3	1	noname	0.0523
6	N2     0.4207     2.0939     0.0304	N.3	1	noname	-0.0656
7	C5     3.0246    -1.4608    -0.6975	C.3	1	noname	-0.0020
8	N3     4.0960    -2.4061    -0.3879	N.3	1	noname	-0.3300
9	H1    -1.3606     1.1467    -0.7558	H	1	noname	0.1013
10	H2     2.4325     2.2097     0.8155	H	1	noname	0.0808
11	H3     3.4761    -0.1063     0.8830	H	1	noname	0.0345
12	H4     2.1920    -1.4372     1.2627	H	1	noname	0.0345
13	H5     0.1493     3.0668     0.0310	H	1	noname	0.1531
14	H6     2.1713    -2.0647    -1.0063	H	1	noname	0.0429
15	H7     3.4554    -0.7338    -1.3860	H	1	noname	0.0429
16	H8     3.8873    -3.3885    -0.2810	H	1	noname	0.1184
17	H9     5.0448    -2.0768    -0.2810	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	2
4	2	5	1
5	3	6	1
6	4	6	1
7	5	7	1
8	7	8	1
9	3	9	1
10	4	10	1
11	5	11	1
12	5	12	1
13	6	13	1
14	7	14	1
15	7	15	1
16	8	16	1
17	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1