@<TRIPOS>MOLECULE
101324159
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4074    -0.9933    -0.1174	S	1	noname	-0.0440
2	O1     2.0654    -2.2365    -1.2099	O.3	1	noname	-0.1481
3	O2     3.2978    -1.5621     1.0708	O.2	1	noname	-0.1680
4	O3     3.1986     0.1660    -0.8645	O.2	1	noname	-0.1680
5	C1     0.2878     0.6910    -0.1198	C.2	1	noname	0.0198
6	C2     0.9281    -0.3633     0.5210	C.2	1	noname	0.0264
7	C3    -0.9008     1.1971     0.3931	C.2	1	noname	-0.0358
8	C4     0.3798    -0.9114     1.6747	C.2	1	noname	0.0276
9	C5     0.8361     1.2391    -1.2735	C.2	1	noname	-0.0333
10	C6    -1.4491     0.6490     1.5468	C.2	1	noname	-0.0141
11	C7    -0.8088    -0.4052     2.1876	C.2	1	noname	-0.0369
12	C8     0.1958     2.2933    -1.9143	C.2	1	noname	-0.0516
13	C9    -1.5411     2.2514    -0.2477	C.2	1	noname	-0.0483
14	C10    -0.9928     2.7995    -1.4014	C.2	1	noname	-0.0616
15	C11     1.0523    -2.0188     2.3477	C.3	1	noname	0.0169
16	C12     0.7717     2.8690    -3.1261	C.3	1	noname	-0.0015
17	H1     1.7083     0.8676    -1.6499	H	1	noname	0.0632
18	H2    -2.3213     1.0205     1.9232	H	1	noname	0.0629
19	H3    -1.2112    -0.8074     3.0342	H	1	noname	0.0626
20	H4    -2.4133     2.6229     0.1287	H	1	noname	0.0629
21	H5    -1.4627     3.5732    -1.8716	H	1	noname	0.0625
22	H6     0.3889    -2.8831     2.3768	H	1	noname	0.0280
23	H7     1.3092    -1.7235     3.3651	H	1	noname	0.0280
24	H8     1.9611    -2.2765     1.8038	H	1	noname	0.0280
25	H9     0.8452     2.0995    -3.8945	H	1	noname	0.0279
26	H10     0.1344     3.6784    -3.4823	H	1	noname	0.0279
27	H11     1.7655     3.2591    -2.9063	H	1	noname	0.0279
28	H12     2.9030    -2.6467    -1.5107	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	6	1
5	2	28	1
6	5	6	1
7	5	7	2
8	5	9	1
9	6	8	2
10	7	10	1
11	7	13	1
12	8	11	1
13	8	15	1
14	9	12	2
15	9	17	1
16	10	11	2
17	10	18	1
18	11	19	1
19	12	14	1
20	12	16	1
21	13	14	2
22	13	20	1
23	14	21	1
24	15	22	1
25	15	23	1
26	15	24	1
27	16	25	1
28	16	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1