@<TRIPOS>MOLECULE
DB07176
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1877    -1.3966    -0.9511	S	1	noname	-0.0426
2	O1     2.6520    -2.1564     0.3662	O.2	1	noname	-0.1681
3	O2     3.4617    -1.0326    -1.8299	O.2	1	noname	-0.1681
4	O3     1.1549    -2.3942    -1.8423	O.3	1	noname	-0.1482
5	C1     1.3535     0.0551    -0.5157	C.2	1	noname	0.0379
6	C2    -0.0228     0.0344    -0.3221	C.2	1	noname	0.0190
7	C3     2.0595     1.2422    -0.3596	C.2	1	noname	0.0267
8	C4    -0.6930     1.2008     0.0276	C.2	1	noname	-0.0291
9	C5    -0.7289    -1.1527    -0.4783	C.2	1	noname	-0.0607
10	C6     1.3893     2.4086    -0.0098	C.2	1	noname	-0.0270
11	C7    -2.0693     1.1801     0.2212	C.2	1	noname	-0.0208
12	C8     0.0130     2.3879     0.1838	C.2	1	noname	-0.0091
13	C9    -2.1052    -1.1734    -0.2847	C.2	1	noname	-0.0580
14	N1    -2.7155     2.3046     0.5584	N.3	1	noname	-0.1516
15	C10    -2.7754    -0.0069     0.0650	C.2	1	noname	-0.0659
16	H1     0.6160    -2.9147    -1.2421	H	1	noname	0.2388
17	H2     3.1388     1.2584    -0.5114	H	1	noname	0.0640
18	H3    -0.2033    -2.0674    -0.7526	H	1	noname	0.0629
19	H4     1.9430     3.3395     0.1127	H	1	noname	0.0623
20	H5    -0.5126     3.3026     0.4581	H	1	noname	0.0629
21	H6    -2.6588    -2.1043    -0.4072	H	1	noname	0.0623
22	H7    -2.2006     3.1642     0.6855	H	1	noname	0.1243
23	H8    -3.7174     2.2926     0.6855	H	1	noname	0.1243
24	H9    -3.8547    -0.0232     0.2168	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	5	7	2
7	6	8	1
8	6	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	13	1
13	10	12	2
14	11	14	1
15	11	15	1
16	13	15	2
17	4	16	1
18	7	17	1
19	9	18	1
20	10	19	1
21	12	20	1
22	13	21	1
23	14	22	1
24	14	23	1
25	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1