@<TRIPOS>MOLECULE
DB03964
16 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6865    -0.0157    -0.7052	O.2	1	noname	-0.4649
2	C1     1.1235     0.1445     0.3993	C.2	1	noname	-0.0409
3	O2     1.7556    -0.2133     1.5373	O.3	1	noname	-0.4649
4	C2    -0.1257     0.6793     0.4546	C.2	1	noname	-0.0474
5	C3    -0.5192     1.5472    -0.4732	C.2	1	noname	-0.0535
6	C4    -1.0161     0.3085     1.5104	C.3	1	noname	0.1130
7	C5    -1.7684     2.0820    -0.4179	C.2	1	noname	-0.0480
8	O3    -1.2443    -1.0924     1.4670	O.3	1	noname	-0.3898
9	C6    -0.4225     0.6654     2.7956	C.2	1	noname	-0.0559
10	O4    -2.1383     2.8977    -1.2899	O.2	1	noname	-0.4682
11	O5    -2.6090     1.7319     0.5788	O.3	1	noname	-0.4682
12	O6    -1.0100     1.4660     3.5547	O.2	1	noname	-0.4699
13	O7     0.7610     0.1306     3.1642	O.3	1	noname	-0.4699
14	H1     0.1741     1.8171    -1.2697	H	1	noname	0.0554
15	H2    -1.9687     0.8191     1.3692	H	1	noname	0.0629
16	H3    -1.3001    -1.4353     2.3619	H	1	noname	0.2103
@<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	1
8	6	9	1
9	7	10	2
10	7	11	1
11	9	12	2
12	9	13	1
13	5	14	1
14	6	15	1
15	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1