@<TRIPOS>MOLECULE
72941544
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.3268    -0.2940     0.1210	S.2	1	noname	0.1729
2	O1     1.8269     0.3133    -0.4694	O.3	1	noname	-0.1774
3	O2    -0.3495     0.9731     1.0702	O.3	1	noname	-0.1794
4	O3    -0.6395    -0.3691    -1.1541	O.2	1	noname	-0.2227
5	C1     2.3892     1.1252     0.5739	C.3	1	noname	0.0691
6	C2     1.6097     2.4517     0.7909	C.3	1	noname	-0.0019
7	C3     0.0931     2.2252     0.5675	C.3	1	noname	0.0613
8	C4     2.4162     0.3299     1.8807	C.3	1	noname	-0.0379
9	H1     3.4121     1.4022     0.3188	H	1	noname	0.0608
10	H2     1.7778     2.8099     1.8066	H	1	noname	0.0317
11	H3     1.9343     3.2141     0.0828	H	1	noname	0.0317
12	H4    -0.4684     3.0277     1.0457	H	1	noname	0.0574
13	H5    -0.0652     2.2039    -0.5108	H	1	noname	0.0574
14	H6     2.8428     0.9459     2.6722	H	1	noname	0.0257
15	H7     1.4004     0.0420     2.1518	H	1	noname	0.0257
16	H8     3.0245    -0.5649     1.7489	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