@<TRIPOS>MOLECULE
DB03191
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.7396    -0.8769    -1.8979	O.2	1	noname	-0.2496
2	C1    -2.7450    -0.1503    -2.1110	C.2	1	noname	0.1437
3	O2    -2.9081     1.1738    -2.3174	O.3	1	noname	-0.2140
4	C2    -1.4069    -0.7338    -2.1366	C.3	1	noname	0.0938
5	N1    -0.7996    -0.5031    -3.4463	N.3	1	noname	-0.3193
6	C3    -0.5455    -0.0819    -1.0531	C.3	1	noname	0.0004
7	C4     0.8568    -0.6933    -1.0799	C.3	1	noname	0.0831
8	O3     1.6563    -0.0883    -0.0743	O.3	1	noname	-0.3729
9	C5     1.8833     0.3984    -1.3888	C.3	1	noname	0.0735
10	H1    -2.9637     1.6250    -1.4719	H	1	noname	0.2213
11	H2    -1.5027    -1.8095    -1.9893	H	1	noname	0.0572
12	H3    -1.3834    -0.4234    -4.2666	H	1	noname	0.1191
13	H4     0.2037    -0.4234    -3.5308	H	1	noname	0.1191
14	H5    -0.4365     0.9675    -1.3268	H	1	noname	0.0315
15	H6    -0.9882    -0.3519    -0.0943	H	1	noname	0.0315
16	H7     0.6687    -1.7178    -1.4010	H	1	noname	0.0628
17	H8     2.8098     0.0710    -1.8605	H	1	noname	0.0593
18	H9     1.4847     1.3905    -1.6009	H	1	noname	0.0593
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	9	1
10	3	10	1
11	4	11	1
12	5	12	1
13	5	13	1
14	6	14	1
15	6	15	1
16	7	16	1
17	9	17	1
18	9	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1