@<TRIPOS>MOLECULE
DB02094
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.6966    -4.4699     2.9659	S.3	1	noname	-0.2228
2	C1     2.6953    -3.5357     1.4623	C.2	1	noname	0.0182
3	C2     0.9813    -4.7615     3.2773	C.2	1	noname	0.0103
4	C3     1.3194    -3.4635     1.2196	C.2	1	noname	-0.0219
5	C4     3.8126    -2.9944     0.6940	C.3	1	noname	0.0557
6	C5     0.4607    -4.0936     2.1547	C.2	1	noname	-0.0267
7	C6     4.5690    -2.0627     1.5255	C.2	1	noname	0.0390
8	O1     5.7769    -2.2776     1.7648	O.2	1	noname	-0.2954
9	N1     3.9684    -0.9772     2.0320	N.3	1	noname	-0.0804
10	C7     4.6989    -0.0774     2.8350	C.3	1	noname	0.0384
11	B1     4.0104     0.0123     4.3208	B	1	noname	0.1871
12	O2     4.0176    -1.3728     4.9707	O.3	1	noname	-0.2876
13	O3     4.8030     0.9886     5.1921	O.3	1	noname	-0.2876
14	H1     0.3608    -5.2598     4.0221	H	1	noname	0.0739
15	H2     0.9347    -2.9412     0.3437	H	1	noname	0.0634
16	H3     4.4769    -3.8299     0.4734	H	1	noname	0.0419
17	H4     3.3815    -2.4112    -0.1198	H	1	noname	0.0419
18	H5    -0.6190    -4.0641     2.0078	H	1	noname	0.0631
19	H6     2.9915    -0.8409     1.8144	H	1	noname	0.1303
20	H7     5.6833    -0.5374     2.9215	H	1	noname	0.0399
21	H8     4.5879     0.8813     2.3283	H	1	noname	0.0399
22	H9     4.0171    -1.2781     5.9260	H	1	noname	0.1898
23	H10     4.6439     0.7927     6.1183	H	1	noname	0.1898
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	6	1
7	5	7	1
8	7	8	2
9	7	9	1
10	9	10	1
11	10	11	1
12	11	12	1
13	11	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	9	19	1
20	10	20	1
21	10	21	1
22	12	22	1
23	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1