@<TRIPOS>MOLECULE
DB07368
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6907    -1.4772    -0.0379	S	1	noname	-0.0314
2	O1    -0.1271    -2.7586     0.7160	O.2	1	noname	-0.1967
3	O2    -1.4682    -1.9324    -1.3481	O.2	1	noname	-0.1967
4	C1     0.6239    -0.4422    -0.4778	C.2	1	noname	0.0145
5	C2    -1.8165    -0.5881     1.0493	C.3	1	noname	0.0505
6	C3     1.0514     0.5487     0.3982	C.2	1	noname	0.0206
7	C4     1.2526    -0.6016    -1.7072	C.2	1	noname	0.0206
8	C5     2.1077     1.3802     0.0448	C.2	1	noname	-0.0143
9	C6     2.3089     0.2300    -2.0606	C.2	1	noname	-0.0143
10	C7     2.7365     1.2209    -1.1846	C.2	1	noname	0.0071
11	C8     3.7699     2.0345    -1.5303	C.2	1	noname	-0.0716
12	N1     4.3466     1.8883    -2.6580	N.2	1	noname	-0.2742
13	N2     4.1729     2.9684    -0.7048	N.3	1	noname	-0.1371
14	H1    -1.5566    -0.7934     2.0878	H	1	noname	0.0430
15	H2    -1.7357     0.4822     0.8593	H	1	noname	0.0430
16	H3    -2.8389    -0.9147     0.8593	H	1	noname	0.0430
17	H4     0.5584     0.6737     1.3623	H	1	noname	0.0639
18	H5     0.9174    -1.3787    -2.3941	H	1	noname	0.0639
19	H6     2.4430     2.1573     0.7318	H	1	noname	0.0630
20	H7     2.8019     0.1050    -3.0246	H	1	noname	0.0630
21	H8     4.4492     0.9038    -2.8586	H	1	noname	0.1888
22	H9     5.1313     2.9819    -0.3865	H	1	noname	0.1257
23	H10     3.5251     3.6749    -0.3865	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	2
6	4	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	5	14	1
15	5	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	12	21	1
22	13	22	1
23	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1