@<TRIPOS>MOLECULE
DB02801
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5918     1.8613    -2.5139	O.2	1	noname	-0.2425
2	C1    -1.4954     2.3587    -2.1780	C.2	1	noname	0.1536
3	O2    -1.1453     3.5841    -2.6233	O.3	1	noname	-0.2085
4	C2    -0.5932     1.6143    -1.3041	C.3	1	noname	0.1705
5	O3    -0.2464     0.3915    -1.9373	O.3	1	noname	-0.3751
6	C3    -1.2870     1.2741    -0.0639	C.2	1	noname	-0.0478
7	C4     0.6841     2.4670    -1.0275	C.3	1	noname	0.0183
8	C5    -0.7036     1.2643     1.1542	C.2	1	noname	-0.0507
9	C6     1.5416     1.8919     0.1576	C.3	1	noname	0.0872
10	C7     0.6914     1.6109     1.4382	C.3	1	noname	0.0983
11	O4     2.5847     2.8025     0.4724	O.3	1	noname	-0.3898
12	O5     1.2954     0.5669     2.1877	O.3	1	noname	-0.3862
13	H1    -0.9804     4.1616    -1.8744	H	1	noname	0.2214
14	H2    -0.0582    -0.2723    -1.2698	H	1	noname	0.2120
15	H3    -2.3421     1.0012    -0.0456	H	1	noname	0.0609
16	H4     1.3021     2.3820    -1.9213	H	1	noname	0.0332
17	H5     0.3286     3.4445    -0.7015	H	1	noname	0.0332
18	H6    -1.3905     0.9626     1.9449	H	1	noname	0.0601
19	H7     2.0461     0.9773    -0.1539	H	1	noname	0.0632
20	H8     0.6446     2.4886     2.0829	H	1	noname	0.0673
21	H9     2.6687     2.8757     1.4259	H	1	noname	0.2105
22	H10     1.1923     0.7452     3.1253	H	1	noname	0.2110
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	6	8	2
8	7	9	1
9	8	10	1
10	9	11	1
11	9	10	1
12	10	12	1
13	3	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1