@<TRIPOS>MOLECULE
101324162
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.6971     1.7685    -0.1450	S	1	noname	-0.0428
2	O1     4.9355     1.2015    -1.1454	O.3	1	noname	-0.1482
3	O2     4.3262     2.3951     1.1740	O.2	1	noname	-0.1680
4	O3     2.8619     2.8814    -0.9143	O.2	1	noname	-0.1680
5	C1     0.7170    -0.9002    -0.1735	C.2	1	noname	-0.0250
6	C2     1.5554     0.1543    -0.5158	C.2	1	noname	0.0140
7	C3     2.6535     0.4561     0.2812	C.2	1	noname	0.0353
8	C4    -0.3811    -1.2020    -0.9705	C.2	1	noname	-0.0423
9	C5     2.0748    -1.3511     1.7629	C.2	1	noname	-0.0257
10	C6     0.9767    -1.6529     0.9659	C.2	1	noname	-0.0165
11	C7     2.9132    -0.2966     1.4205	C.2	1	noname	0.0205
12	C8     1.2958     0.9069    -1.6552	C.2	1	noname	-0.0391
13	C9    -0.6407    -0.4493    -2.1098	C.2	1	noname	-0.0621
14	C10     0.1977     0.6051    -2.4522	C.2	1	noname	-0.0564
15	C11    -1.2617    -2.3096    -0.6109	C.3	1	noname	0.0017
16	C12     2.3475    -2.1417     2.9596	C.3	1	noname	0.0011
17	H1     0.3614    -2.4267     1.2171	H	1	noname	0.0632
18	H2     3.7190    -0.0752     2.0054	H	1	noname	0.0642
19	H3     1.9110     1.6807    -1.9064	H	1	noname	0.0629
20	H4    -1.4465    -0.6708    -2.6947	H	1	noname	0.0625
21	H5     0.0071     1.1575    -3.2883	H	1	noname	0.0622
22	H6    -2.2726    -1.9336    -0.4533	H	1	noname	0.0280
23	H7    -1.2687    -3.0444    -1.4159	H	1	noname	0.0280
24	H8    -0.9013    -2.7777     0.3052	H	1	noname	0.0280
25	H9     1.5001    -2.0725     3.6417	H	1	noname	0.0279
26	H10     2.5040    -3.1833     2.6791	H	1	noname	0.0279
27	H11     3.2420    -1.7595     3.4515	H	1	noname	0.0279
28	H12     4.5467     0.7885    -1.9445	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	7	1
5	2	28	1
6	5	6	1
7	5	8	2
8	5	10	1
9	6	7	1
10	6	12	2
11	7	11	2
12	8	13	1
13	8	15	1
14	9	10	2
15	9	11	1
16	9	16	1
17	10	17	1
18	11	18	1
19	12	14	1
20	12	19	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