@<TRIPOS>MOLECULE
DB02024
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.0675    -1.7168     1.1446	O.2	1	noname	-0.2558
2	C1    -2.9573    -1.9256     0.6093	C.2	1	noname	0.1349
3	O2    -2.6057    -3.1789     0.2512	O.3	1	noname	-0.2188
4	C2    -2.0410    -0.8142     0.3714	C.3	1	noname	0.0375
5	C3    -0.7644    -1.3382    -0.2893	C.3	1	noname	-0.0185
6	C4     0.1520    -0.2267    -0.5272	C.2	1	noname	-0.0547
7	C5     1.0792     0.1299     0.4451	C.2	1	noname	-0.0571
8	C6     0.0972     0.4748    -1.7259	C.2	1	noname	-0.0571
9	C7     1.9516     1.1880     0.2186	C.2	1	noname	-0.0605
10	C8     0.9696     1.5329    -1.9524	C.2	1	noname	-0.0605
11	C9     1.8968     1.8896    -0.9802	C.2	1	noname	-0.0616
12	H1    -2.4575    -3.7071     1.0389	H	1	noname	0.2213
13	H2    -2.5397    -0.1629    -0.3464	H	1	noname	0.0376
14	H3    -1.7697    -0.4334     1.3560	H	1	noname	0.0376
15	H4    -0.2657    -1.9895     0.4285	H	1	noname	0.0321
16	H5    -1.0357    -1.7190    -1.2739	H	1	noname	0.0321
17	H6     1.1221    -0.4202     1.3851	H	1	noname	0.0625
18	H7    -0.6299     0.1951    -2.4883	H	1	noname	0.0625
19	H8     2.6786     1.4677     0.9810	H	1	noname	0.0622
20	H9     0.9267     2.0831    -2.8924	H	1	noname	0.0622
21	H10     2.5809     2.7194    -1.1578	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	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	4	14	1
15	5	15	1
16	5	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1