@<TRIPOS>MOLECULE
DB04490
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.3360    -0.7467     0.3290	S.3	1	noname	-0.1744
2	C1    -0.7756    -1.4448    -0.2348	C.3	1	noname	0.0169
3	C2     0.1558    -0.3650    -0.5479	C.2	1	noname	-0.0157
4	C3     1.0378     0.1630     0.4537	C.2	1	noname	0.0043
5	C4     0.2159     0.1996    -1.8671	C.2	1	noname	-0.0342
6	N1     1.9053     1.1887     0.1095	N.2	1	noname	-0.2522
7	C5     1.1232     1.2614    -2.1981	C.2	1	noname	-0.0247
8	C6     1.9811     1.7511    -1.1611	C.2	1	noname	-0.0026
9	H1    -2.3616    -0.7352     1.6487	H	1	noname	0.1025
10	H2    -0.2802    -1.9681     0.5831	H	1	noname	0.0428
11	H3    -0.9106    -1.9403    -1.1962	H	1	noname	0.0428
12	H4     1.0489    -0.2151     1.4759	H	1	noname	0.0842
13	H5    -0.4468    -0.1893    -2.6401	H	1	noname	0.0626
14	H6     1.1593     1.6816    -3.2032	H	1	noname	0.0638
15	H7     2.6950     2.5552    -1.3396	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	5	7	2
7	6	8	2
8	7	8	1
9	1	9	1
10	2	10	1
11	2	11	1
12	4	12	1
13	5	13	1
14	7	14	1
15	8	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1