@<TRIPOS>MOLECULE
DB03058
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1223    -1.6906     0.6740	O.3	1	noname	-0.3915
2	C1    -1.0845    -0.8792    -0.4907	C.3	1	noname	0.0698
3	C2    -0.1713     0.2394    -0.2751	C.2	1	noname	-0.0552
4	C3     1.1677    -0.0016     0.0098	C.2	1	noname	-0.0256
5	C4    -0.6408     1.5452    -0.3548	C.2	1	noname	-0.0540
6	N1     1.6203    -1.2605     0.0866	N.3	1	noname	-0.1527
7	C5     2.0371     1.0633     0.2150	C.2	1	noname	-0.0682
8	C6     0.2286     2.6102    -0.1496	C.2	1	noname	-0.0906
9	C7     1.5676     2.3692     0.1353	C.2	1	noname	-0.0649
10	H1    -1.1140    -2.6162     0.4195	H	1	noname	0.2105
11	H2    -0.6578    -1.4974    -1.2805	H	1	noname	0.0615
12	H3    -2.0851    -0.4622    -0.6055	H	1	noname	0.0615
13	H4    -1.6908     1.7342    -0.5782	H	1	noname	0.0626
14	H5     0.9678    -2.0309     0.1155	H	1	noname	0.1242
15	H6     2.6140    -1.4390     0.1155	H	1	noname	0.1242
16	H7     3.0871     0.8744     0.4384	H	1	noname	0.0639
17	H8    -0.1395     3.6342    -0.2121	H	1	noname	0.0622
18	H9     2.2494     3.2043     0.2962	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	7	9	2
9	8	9	1
10	1	10	1
11	2	11	1
12	2	12	1
13	5	13	1
14	6	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	9	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1