@<TRIPOS>MOLECULE
76963338
12 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1565    -1.5708    -0.0000	S.2	1	noname	-0.1288
2	O1    -0.6772    -1.1226    -0.0000	O.3	1	noname	-0.8765
3	N1    -0.0202    -0.0009    -0.0000	N.3	1	noname	-0.0489
4	C1     1.3599    -0.0690    -0.0000	C.2	1	noname	-0.0030
5	C2    -0.7551     1.1703    -0.0000	C.2	1	noname	-0.0953
6	C3     2.1062     1.1593     0.0000	C.2	1	noname	-0.0158
7	C4    -0.0555     2.4229     0.0000	C.2	1	noname	-0.0545
8	C5     1.3738     2.3813     0.0000	C.2	1	noname	-0.0422
9	H1    -1.7748     1.1443    -0.0000	H	1	noname	0.0747
10	H2     3.1262     1.1562     0.0000	H	1	noname	0.0648
11	H3    -0.5589     3.3100     0.0000	H	1	noname	0.0632
12	H4     1.8894     3.2614     0.0000	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	4	2
2	2	3	1
3	3	4	1
4	3	5	1
5	4	6	1
6	5	7	2
7	5	9	1
8	6	8	2
9	6	10	1
10	7	8	1
11	7	11	1
12	8	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1