@<TRIPOS>MOLECULE
101315116
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.5844    -1.3295    -0.8777	S	1	noname	-0.0428
2	O1    -3.1086    -0.7806    -1.3589	O.3	1	noname	-0.1482
3	O2    -1.6614    -2.8821    -0.5437	O.2	1	noname	-0.1681
4	O3    -0.5401    -1.0913    -2.0528	O.2	1	noname	-0.1681
5	C1    -0.3528     0.7177     0.3957	C.2	1	noname	0.0223
6	C2     0.0552     1.4153     1.5267	C.2	1	noname	-0.0250
7	C3    -1.0767    -0.4613     0.5299	C.2	1	noname	0.0375
8	C4    -0.0369     1.1992    -0.8694	C.2	1	noname	-0.0332
9	C5     0.6869     2.3782    -1.0036	C.2	1	noname	-0.0516
10	C6     0.7790     2.5943     1.3925	C.2	1	noname	-0.0464
11	C7    -0.2607     0.9338     2.7918	C.2	1	noname	-0.0120
12	C8    -1.3925    -0.9428     1.7950	C.2	1	noname	0.0264
13	C9     1.0949     3.0758     0.1274	C.2	1	noname	-0.0614
14	C10    -0.9846    -0.2452     2.9259	C.2	1	noname	-0.0283
15	C11     1.0187     2.8839    -2.3324	C.3	1	noname	-0.0015
16	H1    -0.3363     0.6873    -1.6993	H	1	noname	0.0632
17	H2     1.0784     3.1062     2.2224	H	1	noname	0.0629
18	H3     0.0387     1.4457     3.6217	H	1	noname	0.0629
19	H4    -1.9237    -1.8080     1.8934	H	1	noname	0.0640
20	H5     1.6261     3.9410     0.0290	H	1	noname	0.0625
21	H6    -1.2164    -0.5986     3.8543	H	1	noname	0.0623
22	H7     0.1007     3.0738    -2.8885	H	1	noname	0.0279
23	H8     1.5844     3.8108    -2.2376	H	1	noname	0.0279
24	H9     1.6188     2.1447    -2.8631	H	1	noname	0.0279
25	H10    -3.7924    -1.1505    -0.7622	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	25	1
6	5	6	2
7	5	7	1
8	5	8	1
9	6	10	1
10	6	11	1
11	7	12	2
12	8	9	2
13	8	16	1
14	9	13	1
15	9	15	1
16	10	13	2
17	10	17	1
18	11	14	2
19	11	18	1
20	12	14	1
21	12	19	1
22	13	20	1
23	14	21	1
24	15	22	1
25	15	23	1
26	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1