@<TRIPOS>MOLECULE
DB04157
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4358    -1.5723     0.9069	O.2	1	noname	-0.2237
2	C1    -1.3587    -1.1623     0.4229	C.2	1	noname	0.1431
3	O2    -0.3889    -0.6921     1.2359	O.3	1	noname	-0.2115
4	N1    -1.1666    -1.1895    -0.9030	N.3	1	noname	-0.1092
5	N2    -0.7164    -0.0980     2.4054	N.3	1	noname	-0.1061
6	C2    -0.0120    -0.7499    -1.4219	C.2	1	noname	-0.0205
7	C3     1.1640    -0.8541    -0.6881	C.2	1	noname	-0.0321
8	C4     0.0098    -0.1898    -2.6939	C.2	1	noname	-0.0321
9	C5     2.3617    -0.3981    -1.2264	C.2	1	noname	-0.0534
10	C6     1.2075     0.2661    -3.2321	C.2	1	noname	-0.0534
11	C7     2.3834     0.1620    -2.4984	C.2	1	noname	-0.0583
12	H1    -1.8921    -1.5413    -1.5113	H	1	noname	0.1396
13	H2     0.0035     0.1239     3.0781	H	1	noname	0.1515
14	H3    -1.6810     0.1239     2.6064	H	1	noname	0.1515
15	H4     1.1469    -1.2933     0.3093	H	1	noname	0.0639
16	H5    -0.9124    -0.1082    -3.2692	H	1	noname	0.0639
17	H6     3.2838    -0.4798    -0.6510	H	1	noname	0.0623
18	H7     1.2245     0.7053    -4.2295	H	1	noname	0.0623
19	H8     3.3226     0.5195    -2.9204	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	4	12	1
13	5	13	1
14	5	14	1
15	7	15	1
16	8	16	1
17	9	17	1
18	10	18	1
19	11	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1