@<TRIPOS>MOLECULE
101324918
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.7530     1.5044    -0.0326	S	1	noname	-0.0471
2	O1     4.7846     0.5273    -0.9475	O.3	1	noname	-0.1485
3	O2     4.5154     2.0075     1.2688	O.2	1	noname	-0.1686
4	O3     3.3023     2.7580    -0.9007	O.2	1	noname	-0.1686
5	C1     0.1138    -0.1567    -0.0130	C.2	1	noname	-0.0319
6	C2     1.2348     0.5753    -0.3866	C.2	1	noname	0.0350
7	C3     0.1158    -0.8707     1.1796	C.2	1	noname	-0.0138
8	C4     2.3578     0.5933     0.4324	C.2	1	noname	0.0197
9	C5     1.2387    -0.8526     1.9986	C.2	1	noname	-0.0323
10	C6     2.3597    -0.1206     1.6250	C.2	1	noname	0.0245
11	C7    -1.0091    -0.1748    -0.8320	C.2	1	noname	-0.0471
12	C8    -1.0052    -1.6027     1.5532	C.2	1	noname	-0.0464
13	C9    -2.1282    -1.6208     0.7342	C.2	1	noname	-0.0538
14	C10     1.2328     1.3252    -1.6393	C.3	1	noname	0.0201
15	C11    -2.1301    -0.9068    -0.4584	C.2	1	noname	-0.0615
16	C12    -3.3056    -2.3897     1.1267	C.3	1	noname	-0.0017
17	H1     1.2401    -1.3765     2.8738	H	1	noname	0.0629
18	H2     3.1837    -0.1074     2.2260	H	1	noname	0.0640
19	H3    -1.0105     0.3491    -1.7072	H	1	noname	0.0629
20	H4    -1.0038    -2.1266     2.4284	H	1	noname	0.0631
21	H5     0.4309     2.0632    -1.6197	H	1	noname	0.0280
22	H6     1.0759     0.6402    -2.4726	H	1	noname	0.0280
23	H7     2.1901     1.8320    -1.7610	H	1	noname	0.0280
24	H8    -2.9542    -0.9201    -1.0594	H	1	noname	0.0625
25	H9    -3.6811    -2.0180     2.0801	H	1	noname	0.0279
26	H10    -4.0788    -2.2840     0.3657	H	1	noname	0.0279
27	H11    -3.0361    -3.4410     1.2272	H	1	noname	0.0279
28	H12     5.3733     1.0922    -1.4905	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	8	1
5	2	28	1
6	5	6	1
7	5	7	2
8	5	11	1
9	6	8	2
10	6	14	1
11	7	9	1
12	7	12	1
13	8	10	1
14	9	10	2
15	9	17	1
16	10	18	1
17	11	15	2
18	11	19	1
19	12	13	2
20	12	20	1
21	13	15	1
22	13	16	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