@<TRIPOS>MOLECULE
101324158
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4649    -1.1302    -0.0535	S	1	noname	-0.0442
2	O1     2.1070    -2.3956    -1.1150	O.3	1	noname	-0.1481
3	O2     3.2906    -1.6932     1.1831	O.2	1	noname	-0.1680
4	O3     3.3286    -0.0310    -0.8112	O.2	1	noname	-0.1680
5	C1     0.4195     0.6386    -0.1854	C.2	1	noname	0.0141
6	C2     0.9932    -0.4181     0.5120	C.2	1	noname	0.0247
7	C3    -0.7630     1.2107     0.2689	C.2	1	noname	-0.0302
8	C4     0.3843    -0.9026     1.6638	C.2	1	noname	0.0274
9	C5    -1.3719     0.7262     1.4207	C.2	1	noname	-0.0125
10	C6     1.0284     1.1232    -1.3372	C.2	1	noname	-0.0301
11	C7    -1.3367     2.2674    -0.4285	C.2	1	noname	-0.0513
12	C8    -0.7982    -0.3305     2.1181	C.2	1	noname	-0.0367
13	C9    -0.7278     2.7520    -1.5803	C.2	1	noname	-0.0540
14	C10     0.4547     2.1799    -2.0347	C.2	1	noname	-0.0588
15	C11     0.9869    -2.0126     2.3963	C.3	1	noname	0.0169
16	C12    -1.3304     3.8619    -2.3129	C.3	1	noname	-0.0017
17	H1    -2.2396     1.1460     1.7541	H	1	noname	0.0629
18	H2     1.8961     0.7033    -1.6706	H	1	noname	0.0629
19	H3    -2.2044     2.6873    -0.0951	H	1	noname	0.0631
20	H4    -1.2450    -0.6861     2.9633	H	1	noname	0.0626
21	H5     0.9015     2.5354    -2.8799	H	1	noname	0.0625
22	H6     0.2869    -2.8474     2.4314	H	1	noname	0.0280
23	H7     1.2221    -1.6928     3.4115	H	1	noname	0.0280
24	H8     1.9015    -2.3261     1.8931	H	1	noname	0.0280
25	H9    -2.3302     3.5795    -2.6424	H	1	noname	0.0279
26	H10    -1.3950     4.7341    -1.6623	H	1	noname	0.0279
27	H11    -0.7157     4.1007    -3.1807	H	1	noname	0.0279
28	H12     2.9398    -2.8179    -1.4124	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	10	1
9	6	8	2
10	7	9	1
11	7	11	1
12	8	12	1
13	8	15	1
14	9	12	2
15	9	17	1
16	10	14	2
17	10	18	1
18	11	13	2
19	11	19	1
20	12	20	1
21	13	14	1
22	13	16	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