@<TRIPOS>MOLECULE
101324161
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.7053     1.7241    -0.1363	S	1	noname	-0.0449
2	O1     4.9161     1.1839    -1.1843	O.3	1	noname	-0.1483
3	O2     4.3700     2.3131     1.1826	O.2	1	noname	-0.1682
4	O3     2.8522     2.8589    -0.8521	O.2	1	noname	-0.1682
5	C1     0.7208    -0.9395    -0.1606	C.2	1	noname	-0.0256
6	C2     1.5518     0.1232    -0.4954	C.2	1	noname	0.0145
7	C3     1.0089    -1.7240     0.9502	C.2	1	noname	-0.0133
8	C4     2.6710     0.4015     0.2805	C.2	1	noname	0.0237
9	C5     2.1281    -1.4457     1.7261	C.2	1	noname	-0.0322
10	C6     2.9592    -0.3830     1.3912	C.2	1	noname	0.0188
11	C7    -0.3985    -1.2178    -0.9365	C.2	1	noname	-0.0450
12	C8     1.2636     0.9076    -1.6062	C.2	1	noname	-0.0297
13	C9     0.1360    -2.8402     1.3019	C.3	1	noname	0.0070
14	C10     2.4308    -2.2696     2.8927	C.3	1	noname	0.0009
15	C11    -0.6866    -0.4334    -2.0472	C.2	1	noname	-0.0563
16	C12     0.1444     0.6293    -2.3821	C.2	1	noname	-0.0542
17	H1     3.7805    -0.1787     1.9606	H	1	noname	0.0642
18	H2    -1.0083    -1.9977    -0.6908	H	1	noname	0.0629
19	H3     1.8735     1.6874    -1.8519	H	1	noname	0.0629
20	H4    -0.6449    -2.4918     1.9778	H	1	noname	0.0280
21	H5    -0.3196    -3.2440     0.3977	H	1	noname	0.0280
22	H6     0.7209    -3.6182     1.7926	H	1	noname	0.0280
23	H7     2.4342    -1.6461     3.7868	H	1	noname	0.0280
24	H8     1.6737    -3.0470     2.9948	H	1	noname	0.0280
25	H9     3.4105    -2.7307     2.7676	H	1	noname	0.0280
26	H10    -1.5079    -0.6376    -2.6166	H	1	noname	0.0622
27	H11    -0.0670     1.2049    -3.1972	H	1	noname	0.0622
28	H12     4.5058     0.8026    -1.9885	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	1
8	5	11	2
9	6	8	1
10	6	12	2
11	7	9	2
12	7	13	1
13	8	10	2
14	9	10	1
15	9	14	1
16	10	17	1
17	11	15	1
18	11	18	1
19	12	16	1
20	12	19	1
21	13	20	1
22	13	21	1
23	13	22	1
24	14	23	1
25	14	24	1
26	14	25	1
27	15	16	2
28	15	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1