@<TRIPOS>MOLECULE
DB02130
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8799    -0.8221    -0.9532	O.2	1	noname	-0.4639
2	C1    -0.6629    -0.6173    -1.1518	C.2	1	noname	-0.0392
3	O2    -0.0785    -1.0666    -2.2827	O.3	1	noname	-0.4639
4	C2     0.0887     0.0732    -0.2082	C.2	1	noname	-0.0467
5	C3     1.4420     0.3010    -0.4290	C.2	1	noname	-0.0153
6	C4    -0.5130     0.5359     0.9563	C.2	1	noname	-0.0561
7	C5     2.1936     0.9915     0.5146	C.2	1	noname	0.0232
8	C6     0.2386     1.2264     1.8999	C.2	1	noname	-0.0241
9	O3     3.5080     1.2127     0.3001	O.3	1	noname	-0.2676
10	C7     1.5919     1.4542     1.6791	C.2	1	noname	0.0176
11	C8     3.6748     2.4449    -0.3857	C.3	1	noname	0.0424
12	O4     2.3219     2.1248     2.5955	O.3	1	noname	-0.2773
13	H1     1.9138    -0.0618    -1.3421	H	1	noname	0.0650
14	H2    -1.5742     0.3573     1.1295	H	1	noname	0.0622
15	H3    -0.2333     1.5892     2.8131	H	1	noname	0.0650
16	H4     3.7841     3.2520     0.3386	H	1	noname	0.0535
17	H5     4.5661     2.3948    -1.0112	H	1	noname	0.0535
18	H6     2.8023     2.6336    -1.0112	H	1	noname	0.0535
19	H7     2.0424     1.8681     3.4774	H	1	noname	0.2183
@<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	1
9	7	10	2
10	8	10	1
11	9	11	1
12	10	12	1
13	5	13	1
14	6	14	1
15	8	15	1
16	11	16	1
17	11	17	1
18	11	18	1
19	12	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1