@<TRIPOS>MOLECULE
71586894
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9878    -1.0073    -0.1600	S	1	noname	-0.0497
2	O1     4.1212     0.8649     2.0156	O.3	1	noname	-0.2822
3	O2    -0.7076    -2.2667    -1.2516	O.3	1	noname	-0.1488
4	O3    -1.7158     0.1913    -0.9093	O.2	1	noname	-0.1690
5	O4    -1.9095    -1.5289     1.0258	O.2	1	noname	-0.1690
6	C1     0.5205    -0.4545     0.4823	C.2	1	noname	0.0098
7	C2     2.4281     1.0091     0.3592	C.2	1	noname	-0.0030
8	C3     1.2162     0.5651    -0.1569	C.2	1	noname	0.0253
9	C4     2.9442     0.4336     1.5144	C.2	1	noname	0.0255
10	C5     1.0366    -1.0301     1.6375	C.2	1	noname	0.0221
11	C6     2.2485    -0.5860     2.1535	C.2	1	noname	-0.0071
12	C7     3.1588     2.0801    -0.3121	C.3	1	noname	0.0117
13	H1     0.8375     0.9874    -1.0046	H	1	noname	0.0643
14	H2     0.5261    -1.7783     2.1065	H	1	noname	0.0640
15	H3     2.6272    -1.0083     3.0012	H	1	noname	0.0650
16	H4     2.5410     2.9776    -0.3430	H	1	noname	0.0280
17	H5     3.4027     1.7717    -1.3288	H	1	noname	0.0280
18	H6     4.0782     2.2905     0.2342	H	1	noname	0.0280
19	H7     4.3370     0.3571     2.8255	H	1	noname	0.2182
20	H8    -1.5633    -2.6581    -1.5253	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	9	1
6	2	19	1
7	3	20	1
8	6	8	2
9	6	10	1
10	7	8	1
11	7	9	2
12	7	12	1
13	8	13	1
14	9	11	1
15	10	11	2
16	10	14	1
17	11	15	1
18	12	16	1
19	12	17	1
20	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1