@<TRIPOS>MOLECULE
DB03489
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8173    -2.8732    -3.0935	O.2	1	noname	-0.2343
2	C1    -0.7356    -2.6834    -2.4966	C.2	1	noname	0.1660
3	O2     0.3687    -3.3659    -2.8672	O.3	1	noname	-0.2013
4	C2    -0.6697    -1.7696    -1.4512	C.2	1	noname	0.2125
5	O3    -1.6760    -1.5599    -0.7400	O.2	1	noname	-0.2575
6	C3     0.5750    -1.0548    -1.1839	C.3	1	noname	0.0452
7	C4     0.3787    -0.1179     0.0097	C.3	1	noname	0.0897
8	O4    -0.6494     0.8160    -0.2856	O.3	1	noname	-0.3897
9	C5     1.6830     0.6312     0.2898	C.3	1	noname	0.1034
10	O5     1.5009     1.5008     1.3976	O.3	1	noname	-0.3879
11	C6     2.7908    -0.3750     0.6081	C.3	1	noname	0.0717
12	O6     4.0014     0.3203     0.8681	O.3	1	noname	-0.3934
13	H1     0.8418    -3.6583    -2.0847	H	1	noname	0.2217
14	H2     1.2998    -1.8142    -0.8906	H	1	noname	0.0380
15	H3     0.7594    -0.4355    -2.0617	H	1	noname	0.0380
16	H4     0.0347    -0.6611     0.8898	H	1	noname	0.0633
17	H5    -1.0205     1.1530     0.5331	H	1	noname	0.2105
18	H6     1.9587     1.2762    -0.5445	H	1	noname	0.0652
19	H7     1.3700     0.9812     2.1941	H	1	noname	0.2106
20	H8     2.5355    -0.8739     1.5429	H	1	noname	0.0591
21	H9     2.9805    -0.9634    -0.2896	H	1	noname	0.0591
22	H10     4.1305     0.3944     1.8165	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
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	6	14	1
14	6	15	1
15	7	16	1
16	8	17	1
17	9	18	1
18	10	19	1
19	11	20	1
20	11	21	1
21	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1