@<TRIPOS>MOLECULE
101315117
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.5860     1.4457    -0.8250	S	1	noname	-0.0427
2	O1    -3.1554     0.9193    -1.2340	O.3	1	noname	-0.1482
3	O2    -1.7416     3.0174    -0.5315	O.2	1	noname	-0.1680
4	O3    -0.6856     1.3116    -2.1378	O.2	1	noname	-0.1680
5	C1    -0.4505    -0.8692     0.5067	C.2	1	noname	0.0179
6	C2    -0.0059    -1.4416     1.7556	C.2	1	noname	-0.0199
7	C3    -1.0141     0.4705     0.5529	C.2	1	noname	0.0368
8	C4    -0.3351    -1.7309    -0.6431	C.2	1	noname	-0.0261
9	C5    -1.1933     1.1189     1.7920	C.2	1	noname	0.0264
10	C6    -0.1634    -0.7304     2.9724	C.2	1	noname	-0.0105
11	C7     0.5792    -2.7336     1.8088	C.2	1	noname	-0.0541
12	C8     0.2970    -2.9959    -0.5707	C.2	1	noname	-0.0601
13	C9    -0.7589     0.5351     2.9893	C.2	1	noname	-0.0281
14	C10    -0.9357    -1.5062    -1.9783	C.3	1	noname	0.0038
15	C11     0.7410    -3.5014     0.6494	C.2	1	noname	-0.0586
16	H1    -1.6624     2.0276     1.8558	H	1	noname	0.0640
17	H2     0.1444    -1.1158     3.8598	H	1	noname	0.0629
18	H3     0.8932    -3.1323     2.6940	H	1	noname	0.0629
19	H4     0.4314    -3.6079    -1.3890	H	1	noname	0.0625
20	H5    -0.8887     1.0399     3.8767	H	1	noname	0.0623
21	H6    -1.9997    -1.3222    -1.8908	H	1	noname	0.0280
22	H7    -0.7689    -2.3830    -2.6040	H	1	noname	0.0280
23	H8    -0.5170    -0.5978    -2.4113	H	1	noname	0.0280
24	H9     1.1728    -4.4211     0.6941	H	1	noname	0.0622
25	H10    -3.8064     1.3318    -0.6286	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	1
7	5	7	1
8	5	8	2
9	6	10	1
10	6	11	2
11	7	9	2
12	8	12	1
13	8	14	1
14	9	13	1
15	9	16	1
16	10	13	2
17	10	17	1
18	11	15	1
19	11	18	1
20	12	15	2
21	12	19	1
22	13	20	1
23	14	21	1
24	14	22	1
25	14	23	1
26	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1