@<TRIPOS>MOLECULE
DB04028
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3803     0.3249     0.6417	O.3	1	noname	-0.3444
2	C1     1.3417    -0.2371    -0.3089	C.3	1	noname	0.1810
3	C2     0.0785     1.7577     0.6379	C.3	1	noname	0.0840
4	O2     2.0122    -1.3362     0.2901	O.3	1	noname	-0.3657
5	C3     2.3899     0.7536    -0.8946	C.3	1	noname	0.1073
6	C4     0.3756     2.5213    -0.6862	C.3	1	noname	0.0828
7	C5    -1.3840     1.9719     1.0330	C.3	1	noname	-0.0360
8	O3     3.0146     0.1669    -2.0268	O.3	1	noname	-0.3876
9	C6     1.7523     2.1188    -1.3014	C.3	1	noname	0.0067
10	O4     0.3577     3.9197    -0.4404	O.3	1	noname	-0.3902
11	H1     0.7100    -0.6154    -1.1126	H	1	noname	0.0948
12	H2     0.7785     2.1264     1.3876	H	1	noname	0.0628
13	H3     1.9645    -1.2580     1.2457	H	1	noname	0.2134
14	H4     3.1919     0.9140    -0.1741	H	1	noname	0.0654
15	H5    -0.4244     2.3462    -1.4056	H	1	noname	0.0628
16	H6    -1.4686     1.9843     2.1197	H	1	noname	0.0258
17	H7    -1.7336     2.9226     0.6305	H	1	noname	0.0258
18	H8    -1.9916     1.1615     0.6305	H	1	noname	0.0258
19	H9     2.9747    -0.7896    -1.9546	H	1	noname	0.2106
20	H10     2.4504     2.8710    -0.9341	H	1	noname	0.0322
21	H11     1.5619     2.0279    -2.3708	H	1	noname	0.0322
22	H12     0.3557     4.0782     0.5065	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	9	1
11	2	11	1
12	3	12	1
13	4	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1