@<TRIPOS>MOLECULE
101324160
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5161    -0.9526    -0.1039	S	1	noname	-0.0440
2	O1     2.4799    -2.1356    -1.3267	O.3	1	noname	-0.1481
3	O2     3.5271    -1.5738     0.9709	O.2	1	noname	-0.1680
4	O3     3.3377     0.3258    -0.6192	O.2	1	noname	-0.1680
5	C1    -0.0682     0.2780    -0.2992	C.2	1	noname	0.0153
6	C2     0.8058    -0.6646     0.3806	C.2	1	noname	0.0257
7	C3    -1.3872     0.4882     0.2609	C.2	1	noname	-0.0307
8	C4     0.2870    -1.4569     1.4645	C.2	1	noname	0.0276
9	C5     0.1915     1.0255    -1.5231	C.2	1	noname	-0.0261
10	C6    -1.8351    -0.2531     1.3720	C.2	1	noname	-0.0126
11	C7    -1.0153    -1.2146     1.9601	C.2	1	noname	-0.0367
12	C8    -2.2901     1.4296    -0.2899	C.2	1	noname	-0.0561
13	C9    -0.7047     2.0217    -1.9951	C.2	1	noname	-0.0601
14	C10     0.9764    -2.5945     2.1626	C.3	1	noname	0.0169
15	C11    -1.9503     2.2089    -1.3940	C.2	1	noname	-0.0588
16	C12     1.3203     0.8568    -2.4787	C.3	1	noname	0.0038
17	H1    -2.7685    -0.1182     1.7651	H	1	noname	0.0629
18	H2    -1.4045    -1.7483     2.7498	H	1	noname	0.0626
19	H3    -3.2247     1.5755     0.1030	H	1	noname	0.0629
20	H4    -0.5108     2.6336    -2.7897	H	1	noname	0.0625
21	H5     0.3418    -3.4834     2.2191	H	1	noname	0.0280
22	H6     1.2220    -2.3043     3.1831	H	1	noname	0.0280
23	H7     1.8836    -2.9617     1.7022	H	1	noname	0.0280
24	H8    -2.5882     2.9002    -1.7714	H	1	noname	0.0622
25	H9     1.4629    -0.1843    -2.7909	H	1	noname	0.0280
26	H10     1.1489     1.4792    -3.3570	H	1	noname	0.0280
27	H11     2.2449     1.1236    -1.9668	H	1	noname	0.0280
28	H12     2.4527    -3.0263    -0.9188	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	1
8	5	9	2
9	6	8	2
10	7	10	1
11	7	12	2
12	8	11	1
13	8	14	1
14	9	13	1
15	9	16	1
16	10	11	2
17	10	17	1
18	11	18	1
19	12	15	1
20	12	19	1
21	13	15	2
22	13	20	1
23	14	21	1
24	14	22	1
25	14	23	1
26	15	24	1
27	16	25	1
28	16	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1