@<TRIPOS>MOLECULE
101315120
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5979     4.0420     0.0212	S	1	noname	-0.0457
2	O1     2.7875     4.5826    -1.5687	O.3	1	noname	-0.1486
3	O2     1.6518     5.0451     0.8128	O.2	1	noname	-0.1687
4	O3     4.0184     3.9799     0.7329	O.2	1	noname	-0.1687
5	C1     0.7462    -0.0703    -0.0001	C.2	1	noname	-0.0152
6	C2    -0.0656     1.0572     0.0403	C.2	1	noname	-0.0179
7	C3     0.1755    -1.3378    -0.0066	C.2	1	noname	-0.0391
8	C4     1.8876     2.4645     0.0130	C.2	1	noname	0.0315
9	C5     0.5051     2.3247     0.0468	C.2	1	noname	0.0357
10	C6     2.1288     0.0695    -0.0339	C.2	1	noname	-0.0199
11	C7     2.6995     1.3370    -0.0273	C.2	1	noname	0.0275
12	C8    -1.4481     0.9174     0.0740	C.2	1	noname	-0.0537
13	C9    -1.2070    -1.4776     0.0271	C.2	1	noname	-0.0621
14	C10    -2.0188    -0.3501     0.0675	C.2	1	noname	-0.0588
15	C11     1.0283    -2.5221    -0.0490	C.3	1	noname	0.0019
16	H1    -0.0907     3.1521     0.0764	H	1	noname	0.0646
17	H2     2.7245    -0.7579    -0.0635	H	1	noname	0.0629
18	H3     3.7140     1.4396    -0.0521	H	1	noname	0.0639
19	H4    -2.0439     1.7448     0.1037	H	1	noname	0.0629
20	H5    -1.6258    -2.4077     0.0223	H	1	noname	0.0625
21	H6    -3.0334    -0.4527     0.0923	H	1	noname	0.0622
22	H7     0.8003    -3.1021    -0.9433	H	1	noname	0.0280
23	H8     0.8469    -3.1323     0.8358	H	1	noname	0.0280
24	H9     2.0742    -2.2161    -0.0712	H	1	noname	0.0280
25	H10     1.9077     4.7732    -1.9561	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	25	1
6	5	6	1
7	5	7	2
8	5	10	1
9	6	9	1
10	6	12	2
11	7	13	1
12	7	15	1
13	8	9	2
14	8	11	1
15	9	16	1
16	10	11	2
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
@<TRIPOS>SUBSTRUCTURE
1	noname	1