@<TRIPOS>MOLECULE
92135715
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.8666     1.1735     0.0344	S	1	noname	-0.0497
2	O1    -1.5419    -0.8471     1.0371	O.3	1	noname	-0.2822
3	O2     3.9842     1.6971    -1.5682	O.3	1	noname	-0.1488
4	O3     4.1677     2.3901     1.0128	O.2	1	noname	-0.1690
5	O4     4.9222     0.0127     0.2916	O.2	1	noname	-0.1690
6	C1    -0.0042     0.9603     1.0215	C.2	1	noname	-0.0030
7	C2     2.2699     0.5770     0.3304	C.2	1	noname	0.0098
8	C3     1.2787     1.4396     0.7837	C.2	1	noname	0.0253
9	C4    -0.2959    -0.3816     0.8061	C.2	1	noname	0.0255
10	C5     1.9783    -0.7649     0.1149	C.2	1	noname	0.0221
11	C6     0.6954    -1.2442     0.3528	C.2	1	noname	-0.0071
12	C7    -1.0454     1.8663     1.4977	C.3	1	noname	0.0117
13	H1     1.4927     2.4243     0.9418	H	1	noname	0.0643
14	H2     2.7056    -1.3978    -0.2177	H	1	noname	0.0640
15	H3     0.4813    -2.2288     0.1947	H	1	noname	0.0650
16	H4    -1.1931     2.6644     0.7701	H	1	noname	0.0280
17	H5    -1.9766     1.3144     1.6257	H	1	noname	0.0280
18	H6    -0.7438     2.2965     2.4527	H	1	noname	0.0280
19	H7    -1.5749    -1.8057     0.8363	H	1	noname	0.2182
20	H8     4.9268     1.8354    -1.7983	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	7	1
5	2	9	1
6	2	19	1
7	3	20	1
8	6	8	1
9	6	9	2
10	6	12	1
11	7	8	2
12	7	10	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