@<TRIPOS>MOLECULE
DB02494
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.7321    -2.3983    -0.1576	O.2	1	noname	-0.2451
2	C1    -2.6865    -2.1680     0.4875	C.2	1	noname	0.1501
3	O2    -2.2191    -3.0821     1.3641	O.3	1	noname	-0.2105
4	C2    -1.9708    -0.9104     0.2930	C.3	1	noname	0.1433
5	O3    -1.9097    -0.2053     1.5241	O.3	1	noname	-0.3822
6	C3    -0.5516    -1.2020    -0.1987	C.3	1	noname	0.0080
7	C4     0.1641     0.0555    -0.3932	C.2	1	noname	-0.0536
8	C5     0.8907     0.6108     0.6537	C.2	1	noname	-0.0564
9	C6     0.1190     0.6976    -1.6252	C.2	1	noname	-0.0564
10	C7     1.5721     1.8081     0.4685	C.2	1	noname	-0.0603
11	C8     0.8004     1.8949    -1.8103	C.2	1	noname	-0.0603
12	C9     1.5269     2.4501    -0.7635	C.2	1	noname	-0.0616
13	H1    -2.3758    -2.7756     2.2602	H	1	noname	0.2214
14	H2    -2.5367    -0.2857    -0.3981	H	1	noname	0.0713
15	H3    -1.8736    -0.8320     2.2504	H	1	noname	0.2112
16	H4    -0.0271    -1.7249     0.6010	H	1	noname	0.0348
17	H5    -0.6322    -1.6569    -1.1860	H	1	noname	0.0348
18	H6     0.9261     0.1073     1.6198	H	1	noname	0.0625
19	H7    -0.4508     0.2622    -2.4461	H	1	noname	0.0625
20	H8     2.1418     2.2435     1.2894	H	1	noname	0.0622
21	H9     0.7649     2.3983    -2.7764	H	1	noname	0.0622
22	H10     2.0613     3.3890    -0.9087	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	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	6	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1