@<TRIPOS>MOLECULE
91936856
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0076    -1.0693    -0.1356	S	1	noname	-0.0476
2	O1     4.0265     0.8360     2.1813	O.3	1	noname	-0.2719
3	O2    -0.6812    -2.2562    -1.2935	O.3	1	noname	-0.1487
4	O3    -1.7685     0.1462    -0.8224	O.2	1	noname	-0.1689
5	O4    -1.9196    -1.6851     1.0120	O.2	1	noname	-0.1689
6	O5     2.3098     3.0573    -0.6943	O.3	1	noname	-0.2171
7	O6     4.2523     2.1709     0.0222	O.2	1	noname	-0.2568
8	C1     0.4786    -0.5068     0.5484	C.2	1	noname	0.0297
9	C2     2.3398     1.0201     0.5223	C.2	1	noname	0.0487
10	C3     1.1457     0.5682    -0.0273	C.2	1	noname	0.0826
11	C4     1.0055    -1.1299     1.6737	C.2	1	noname	0.0550
12	C5     2.8668     0.3971     1.6475	C.2	1	noname	0.0816
13	C6     2.1996    -0.6779     2.2232	C.2	1	noname	0.0127
14	C7     3.0069     2.0951    -0.0535	C.2	1	noname	0.0970
15	H1     0.7590     1.0254    -0.8531	H	1	noname	0.0649
16	H2     0.5160    -1.9187     2.0961	H	1	noname	0.0640
17	H3     2.5863    -1.1351     3.0490	H	1	noname	0.0650
18	H4     4.2533     0.2906     2.9632	H	1	noname	0.2182
19	H5     2.7185     3.5441    -1.4403	H	1	noname	0.2216
20	H6    -1.5235    -2.6454    -1.6088	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	8	1
5	2	12	1
6	2	18	1
7	3	20	1
8	6	14	1
9	6	19	1
10	7	14	2
11	8	10	2
12	8	11	1
13	9	10	1
14	9	12	2
15	9	14	1
16	10	15	1
17	11	13	2
18	11	16	1
19	12	13	1
20	13	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1