@<TRIPOS>MOLECULE
DB04062
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1438     0.0342    -0.0916	O.3	1	noname	-0.3442
2	C1     1.4856    -0.4680    -0.3930	C.3	1	noname	0.1836
3	C2    -0.3900     1.2031    -0.7936	C.3	1	noname	0.0866
4	O2     1.3865    -1.6088    -1.2327	O.3	1	noname	-0.3656
5	C3     2.4781     0.5538    -1.0209	C.3	1	noname	0.1331
6	C4     0.2552     1.5337    -2.1716	C.3	1	noname	0.1087
7	C5    -1.9029     1.0496    -0.9625	C.3	1	noname	-0.0359
8	O3     2.9893     1.4032    -0.0042	O.3	1	noname	-0.3849
9	C6     1.8113     1.4194    -2.1353	C.3	1	noname	0.1133
10	O4    -0.2611     0.6539    -3.1593	O.3	1	noname	-0.3875
11	O5     2.2849     1.0006    -3.4068	O.3	1	noname	-0.3873
12	H1     1.8597    -0.7876     0.5797	H	1	noname	0.0949
13	H2    -0.1194     2.0068    -0.1089	H	1	noname	0.0629
14	H3     1.3178    -2.3991    -0.6920	H	1	noname	0.2134
15	H4     3.3458     0.0299    -1.4216	H	1	noname	0.0682
16	H5    -0.0420     2.5320    -2.4929	H	1	noname	0.0656
17	H6    -2.3750     1.0017     0.0187	H	1	noname	0.0258
18	H7    -2.2955     1.9043    -1.5134	H	1	noname	0.0258
19	H8    -2.1159     0.1334    -1.5134	H	1	noname	0.0258
20	H9     3.3476     0.8692     0.7086	H	1	noname	0.2108
21	H10     2.1718     2.4342    -1.9676	H	1	noname	0.0658
22	H11    -0.6962    -0.0874    -2.7317	H	1	noname	0.2106
23	H12     2.2985     0.0414    -3.4432	H	1	noname	0.2106
@<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	9	11	1
12	2	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1