@<TRIPOS>MOLECULE
71587030
6 5 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9093     1.0172     0.4339	S.3	1	noname	-0.0857
2	S2     1.2462    -0.7796    -0.4579	S.3	1	noname	-0.0857
3	S3     1.1088     1.9772    -1.4834	S.2	1	noname	-0.1088
4	C1     0.4819     0.7383    -0.5025	C.2	1	noname	0.0618
5	H1    -0.5458     1.4900     1.6561	H	1	noname	0.1092
6	H2     2.1845    -0.7859     0.5265	H	1	noname	0.1092
@<TRIPOS>BOND
1	1	4	1
2	1	5	1
3	2	4	1
4	2	6	1
5	3	4	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1