@<TRIPOS>MOLECULE
DB02807
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.4644     0.5193     0.6663	O.2	1	noname	-0.2452
2	C1     3.3617     0.0484     1.0195	C.2	1	noname	0.1499
3	O2     2.9859     0.1082     2.3147	O.3	1	noname	-0.2106
4	C2     2.4803    -0.5664     0.0312	C.3	1	noname	0.1419
5	O3     2.2467    -1.9220     0.3835	O.3	1	noname	-0.3824
6	C3     1.1496     0.1878    -0.0045	C.3	1	noname	0.0115
7	C4     0.2258    -0.4564    -1.0402	C.3	1	noname	0.0852
8	O4    -0.0078    -1.8120    -0.6879	O.3	1	noname	-0.3901
9	C5    -1.1049     0.2978    -1.0759	C.3	1	noname	0.1031
10	O5    -1.9622    -0.3001    -2.0371	O.3	1	noname	-0.3879
11	C6    -0.8532     1.7585    -1.4556	C.3	1	noname	0.0717
12	O6    -2.0882     2.4585    -1.4887	O.3	1	noname	-0.3934
13	H1     2.8856    -0.7819     2.6602	H	1	noname	0.2214
14	H2     2.9856    -0.5763    -0.9345	H	1	noname	0.0711
15	H3     2.2322    -2.0062     1.3397	H	1	noname	0.2111
16	H4     0.6801     0.0439     0.9686	H	1	noname	0.0326
17	H5     1.3680     1.1946    -0.3607	H	1	noname	0.0326
18	H6     0.6923    -0.4876    -2.0249	H	1	noname	0.0629
19	H7    -0.0223    -1.8962     0.2683	H	1	noname	0.2105
20	H8    -1.6328     0.2189    -0.1256	H	1	noname	0.0651
21	H9    -2.6579    -0.7853    -1.5875	H	1	noname	0.2106
22	H10    -0.2779     2.2214    -0.6538	H	1	noname	0.0591
23	H11    -0.4782     1.7816    -2.4788	H	1	noname	0.0591
24	H12    -2.3849     2.6266    -0.5914	H	1	noname	0.2101
@<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	1
8	7	9	1
9	9	10	1
10	9	11	1
11	11	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	8	19	1
19	9	20	1
20	10	21	1
21	11	22	1
22	11	23	1
23	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1