@<TRIPOS>MOLECULE
72941543
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.0063    -0.2785     0.0964	S.2	1	noname	0.1729
2	O1     1.6864     0.0222    -0.0138	O.3	1	noname	-0.1774
3	O2    -0.6906     1.1461     0.7792	O.3	1	noname	-0.1794
4	O3    -0.5443    -0.2717    -1.4121	O.2	1	noname	-0.2227
5	C1     2.0505     0.7934     1.1422	C.3	1	noname	0.0691
6	C2     1.4989     2.2453     1.0957	C.3	1	noname	-0.0019
7	C3     0.1037     2.2676     0.4218	C.3	1	noname	0.0613
8	C4     3.5746     0.8307     1.2712	C.3	1	noname	-0.0379
9	H1     1.5826     0.3096     1.9997	H	1	noname	0.0608
10	H2     1.4188     2.6362     2.1100	H	1	noname	0.0317
11	H3     2.1543     2.8920     0.5122	H	1	noname	0.0317
12	H4    -0.4178     3.1845     0.6964	H	1	noname	0.0574
13	H5     0.2734     2.2020    -0.6529	H	1	noname	0.0574
14	H6     3.8508     1.4159     2.1483	H	1	noname	0.0257
15	H7     3.9552    -0.1851     1.3776	H	1	noname	0.0257
16	H8     4.0036     1.2880     0.3796	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	2
4	2	5	1
5	3	7	1
6	5	6	1
7	5	8	1
8	5	9	1
9	6	7	1
10	6	10	1
11	6	11	1
12	7	12	1
13	7	13	1
14	8	14	1
15	8	15	1
16	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1