@<TRIPOS>MOLECULE
DB01885
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1329    -2.4441    -0.0681	O.2	1	noname	-0.2420
2	C1     1.1972    -1.7389     0.3675	C.2	1	noname	0.1587
3	O2    -0.1545    -1.7239    -0.1794	O.3	1	noname	-0.1920
4	C2     1.3135    -0.7609     1.5621	C.3	1	noname	0.1680
5	C3    -0.6234    -0.4494    -0.6823	C.3	1	noname	0.1189
6	O3     0.5148    -1.2309     2.6381	O.3	1	noname	-0.3798
7	C4     0.7938     0.6382     1.1002	C.3	1	noname	0.1181
8	C5    -0.6032     0.6366     0.4190	C.3	1	noname	0.1121
9	C6     0.2586    -0.0066    -1.8515	C.3	1	noname	0.0728
10	O4     1.7446     1.2323     0.2289	O.3	1	noname	-0.3869
11	O5    -0.8464     1.9078    -0.1652	O.3	1	noname	-0.3874
12	O6     0.1944    -0.9765    -2.8866	O.3	1	noname	-0.3934
13	H1     2.3234    -0.7265     1.9708	H	1	noname	0.0739
14	H2    -1.6466    -0.6390    -1.0069	H	1	noname	0.0662
15	H3     0.5134    -2.1909     2.6400	H	1	noname	0.2113
16	H4     0.7346     1.2854     1.9753	H	1	noname	0.0662
17	H5    -1.4128     0.5031     1.1364	H	1	noname	0.0657
18	H6    -0.1728     0.9002    -2.2754	H	1	noname	0.0592
19	H7     1.2948    -0.0106    -1.5131	H	1	noname	0.0592
20	H8     2.4299     1.6605     0.7472	H	1	noname	0.2107
21	H9    -0.9711     2.5600     0.5281	H	1	noname	0.2106
22	H10     0.2182    -1.8562    -2.5029	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	7	10	1
10	7	8	1
11	8	11	1
12	9	12	1
13	4	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	9	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1