@<TRIPOS>MOLECULE
DB02280
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.9299    -0.3464    -0.1072	O.2	1	noname	-0.2435
2	C1    -1.8046    -0.4984     0.4155	C.2	1	noname	0.1523
3	O2    -1.5685    -0.0272     1.6584	O.3	1	noname	-0.2093
4	C2    -0.7457    -1.1853    -0.3182	C.3	1	noname	0.1643
5	O3    -0.3320    -2.3318     0.4105	O.3	1	noname	-0.3778
6	C3     0.3894    -0.2838    -0.4924	C.2	1	noname	-0.0383
7	C4     1.3977    -0.2429     0.4635	C.2	1	noname	-0.0463
8	C5     0.4619     0.5336    -1.6143	C.2	1	noname	-0.0463
9	C6     2.4783     0.6154     0.2976	C.2	1	noname	-0.0577
10	C7     1.5425     1.3920    -1.7803	C.2	1	noname	-0.0577
11	C8     2.5508     1.4329    -0.8243	C.2	1	noname	-0.0609
12	H1    -1.4536    -0.7637     2.2633	H	1	noname	0.2214
13	H2    -1.1146    -1.5183    -1.2883	H	1	noname	0.0762
14	H3    -0.3964    -2.1533     1.3515	H	1	noname	0.2116
15	H4     1.3409    -0.8839     1.3433	H	1	noname	0.0626
16	H5    -0.3288     0.5016    -2.3640	H	1	noname	0.0626
17	H6     3.2690     0.6475     1.0473	H	1	noname	0.0622
18	H7     1.5993     2.0330    -2.6600	H	1	noname	0.0622
19	H8     3.3982     2.1059    -0.9544	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	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	3	12	1
13	4	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