@<TRIPOS>MOLECULE
DB03100
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.2677    -1.5038     0.3542	O.2	1	noname	-0.1445
2	N1    -3.2023    -1.7018    -0.0735	N.2	1	noname	-0.0131
3	O2    -2.9225    -2.8275    -0.5783	O.3	1	noname	-0.1445
4	C1    -2.2974    -0.7624    -0.0317	C.2	1	noname	0.0496
5	C2    -0.9181    -1.1244     0.0718	C.2	1	noname	0.0697
6	C3    -2.7077     0.6082    -0.0905	C.2	1	noname	0.0301
7	C4     0.0077    -0.0505     0.1531	C.2	1	noname	0.0371
8	C5    -1.7559     1.6698    -0.0635	C.2	1	noname	-0.0050
9	N2     1.3359    -0.0601     0.3079	N.2	1	noname	-0.2679
10	C6    -0.3903     1.2940     0.0488	C.2	1	noname	0.0171
11	N3     1.7674     1.1658     0.2469	N.3	1	noname	-0.0182
12	C7     0.7638     2.0539     0.0726	C.2	1	noname	-0.0611
13	H1    -0.5898    -2.1636     0.0880	H	1	noname	0.0670
14	H2    -3.7687     0.8490    -0.1574	H	1	noname	0.0647
15	H3    -2.0569     2.7155    -0.1256	H	1	noname	0.0630
16	H4     2.7476     1.3966     0.3244	H	1	noname	0.1747
17	H5     0.8626     3.1349    -0.0262	H	1	noname	0.0813
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	7	10	1
10	8	10	1
11	9	11	1
12	10	12	2
13	11	12	1
14	5	13	1
15	6	14	1
16	8	15	1
17	11	16	1
18	12	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1