@<TRIPOS>MOLECULE
91617906
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.0938    -1.6336    -0.4200	S	1	noname	-0.0496
2	O1    -0.9311     3.8418     1.4928	O.3	1	noname	-0.2818
3	O2    -1.3121    -2.0389    -1.5189	O.3	1	noname	-0.1488
4	O3    -0.1360    -2.6377     0.8121	O.2	1	noname	-0.1690
5	O4     1.3217    -1.7338    -1.1371	O.2	1	noname	-0.1690
6	C1    -0.3410    -0.0171     0.1447	C.2	1	noname	0.0122
7	C2     0.2355     1.0513    -0.5321	C.2	1	noname	0.0328
8	C3    -1.1162     0.2132     1.2753	C.2	1	noname	0.0328
9	C4     0.0369     2.3501    -0.0784	C.2	1	noname	-0.0043
10	C5    -1.3148     1.5120     1.7290	C.2	1	noname	-0.0043
11	C6    -0.7382     2.5804     1.0522	C.2	1	noname	0.0340
12	H1     0.8044     0.8823    -1.3618	H	1	noname	0.0640
13	H2    -1.5392    -0.5708     1.7720	H	1	noname	0.0640
14	H3     0.4600     3.1341    -0.5751	H	1	noname	0.0650
15	H4    -1.8836     1.6810     2.5586	H	1	noname	0.0650
16	H5    -0.4590     4.4687     0.9058	H	1	noname	0.2181
17	H6    -2.1861    -1.9531    -1.0840	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	6	1
5	2	11	1
6	2	16	1
7	3	17	1
8	6	7	2
9	6	8	1
10	7	9	1
11	7	12	1
12	8	10	2
13	8	13	1
14	9	11	2
15	9	14	1
16	10	11	1
17	10	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1