@<TRIPOS>MOLECULE
101324164
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.5750     1.4419    -0.7924	S	1	noname	-0.0427
2	O1    -3.1586     0.8700    -1.0920	O.3	1	noname	-0.1482
3	O2    -1.6972     3.0179    -0.5081	O.2	1	noname	-0.1680
4	O3    -0.7075     1.3231    -2.1295	O.2	1	noname	-0.1680
5	C1    -0.3813    -0.8686     0.4762	C.2	1	noname	0.0099
6	C2     0.1268    -1.4257     1.7051	C.2	1	noname	-0.0219
7	C3    -0.9455     0.4596     0.5602	C.2	1	noname	0.0347
8	C4    -0.2898    -1.7075    -0.6945	C.2	1	noname	-0.0278
9	C5    -0.5885     0.5338     3.0137	C.2	1	noname	-0.0257
10	C6    -1.0770     1.1087     1.8219	C.2	1	noname	0.0205
11	C7     0.0218    -0.7340     2.9393	C.2	1	noname	-0.0161
12	C8     0.7537    -2.7014     1.7209	C.2	1	noname	-0.0541
13	C9     0.3861    -2.9468    -0.6508	C.2	1	noname	-0.0602
14	C10     0.8858    -3.4434     0.5445	C.2	1	noname	-0.0586
15	C11    -0.8852    -1.4816    -2.0155	C.3	1	noname	0.0037
16	C12    -0.7074     1.2516     4.3043	C.3	1	noname	0.0011
17	H1    -1.5551     2.0224     1.8785	H	1	noname	0.0642
18	H2     0.4000    -1.1647     3.8128	H	1	noname	0.0631
19	H3     1.1220    -3.1208     2.5913	H	1	noname	0.0629
20	H4     0.5424    -3.5513    -1.4704	H	1	noname	0.0625
21	H5     1.3526    -4.3678     0.5543	H	1	noname	0.0622
22	H6    -1.9744    -1.4100    -1.9958	H	1	noname	0.0280
23	H7    -0.5859    -2.2832    -2.6908	H	1	noname	0.0280
24	H8    -0.5518    -0.5079    -2.3744	H	1	noname	0.0280
25	H9    -1.2964     0.6537     4.9997	H	1	noname	0.0279
26	H10    -1.1994     2.2107     4.1427	H	1	noname	0.0279
27	H11     0.2863     1.4185     4.7200	H	1	noname	0.0279
28	H12    -3.7955     1.3654    -0.5359	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	7	1
8	5	8	2
9	6	11	1
10	6	12	2
11	7	10	2
12	8	13	1
13	8	15	1
14	9	10	1
15	9	11	2
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