@<TRIPOS>MOLECULE
119025854
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.0340    -1.5352     0.1609	S	1	noname	0.0312
2	O1     1.0277    -0.1458    -0.2210	O.3	1	noname	-0.1316
3	O2    -0.8977     1.9719     0.7819	O.3	1	noname	-0.3935
4	O3     2.1130    -1.5777     1.7634	O.2	1	noname	-0.1601
5	O4     3.4723    -1.0762    -0.3786	O.2	1	noname	-0.1601
6	C1    -0.4032    -0.2364    -0.3038	C.3	1	noname	0.1011
7	C2    -1.0920     1.1566    -0.3667	C.3	1	noname	0.0710
8	C3    -0.7930    -0.9653    -1.6143	C.3	1	noname	-0.0346
9	C4     1.6138    -3.2161    -0.5302	C.3	1	noname	0.0713
10	H1    -0.7684    -0.7338     0.5826	H	1	noname	0.0643
11	H2    -2.1745     1.0257    -0.4700	H	1	noname	0.0591
12	H3    -0.7579     1.7298    -1.2374	H	1	noname	0.0591
13	H4    -1.8739    -0.9793    -1.7286	H	1	noname	0.0258
14	H5    -0.3678    -0.4237    -2.4627	H	1	noname	0.0258
15	H6    -0.4389    -1.9827    -1.6511	H	1	noname	0.0258
16	H7     0.5307    -3.3260    -0.5851	H	1	noname	0.0451
17	H8     2.0249    -3.9891     0.1191	H	1	noname	0.0451
18	H9     2.0401    -3.3155    -1.5285	H	1	noname	0.0451
19	H10     0.0602     2.1365     0.9074	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	1	4	2
3	1	5	2
4	1	9	1
5	6	2	1
6	3	7	1
7	3	19	1
8	6	7	1
9	6	8	1
10	6	10	1
11	7	11	1
12	7	12	1
13	8	13	1
14	8	14	1
15	8	15	1
16	9	16	1
17	9	17	1
18	9	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1