@<TRIPOS>MOLECULE
DB01841
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3551     0.2716     0.4901	O.3	1	noname	-0.3468
2	C1     1.2221    -0.2528    -0.5668	C.3	1	noname	0.1834
3	C2     0.2339     1.7145     0.7077	C.3	1	noname	0.0606
4	O2     1.7613    -1.5020    -0.1603	O.3	1	noname	-0.3656
5	C3     2.3747     0.6812    -1.0382	C.3	1	noname	0.1306
6	C4     0.5999     2.6269    -0.4998	C.3	1	noname	0.0021
7	C5    -1.1833     2.0414     1.1827	C.3	1	noname	-0.0385
8	O3     3.4377     0.6331    -0.0979	O.3	1	noname	-0.3850
9	C6     1.9047     2.1587    -1.2168	C.3	1	noname	0.0874
10	O4     1.8199     2.4645    -2.6009	O.3	1	noname	-0.3900
11	H1     0.5340    -0.4273    -1.3939	H	1	noname	0.0949
12	H2     0.9876     1.8796     1.4777	H	1	noname	0.0602
13	H3     1.7802    -1.5456     0.7985	H	1	noname	0.2134
14	H4     2.7978     0.3069    -1.9704	H	1	noname	0.0681
15	H5    -0.2056     2.5087    -1.2245	H	1	noname	0.0320
16	H6     0.8174     3.6100    -0.0822	H	1	noname	0.0320
17	H7    -1.2089     2.0473     2.2724	H	1	noname	0.0257
18	H8    -1.4753     3.0220     0.8071	H	1	noname	0.0257
19	H9    -1.8753     1.2876     0.8071	H	1	noname	0.0257
20	H10     3.0785     0.6493     0.7922	H	1	noname	0.2108
21	H11     2.7023     2.7690    -0.7930	H	1	noname	0.0630
22	H12     1.7889     1.6495    -3.1073	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	9	1
10	9	10	1
11	2	11	1
12	3	12	1
13	4	13	1
14	5	14	1
15	6	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
@<TRIPOS>SUBSTRUCTURE
1	noname	1