@<TRIPOS>MOLECULE
71587385
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.1912     0.1985     0.0666	S.3	1	noname	-0.1589
2	S2    -3.1958    -0.1575    -0.9704	S.3	1	noname	-0.1954
3	O1     3.7009     2.5982    -1.8584	O.2	1	noname	-0.2543
4	O2     5.5054     1.0964    -0.4194	O.3	1	noname	-0.1991
5	O3     3.7960     0.8671     1.0290	O.2	1	noname	-0.2312
6	C1    -0.4468     0.3002    -0.5651	C.2	1	noname	0.0645
7	C2    -1.5839    -0.4901    -0.3430	C.2	1	noname	0.0268
8	C3    -0.3369     1.2175    -1.6149	C.2	1	noname	0.0045
9	C4     1.9764     1.3582    -1.0096	C.2	1	noname	0.0581
10	C5     0.9365     1.7782    -1.8508	C.2	1	noname	0.0283
11	C6    -1.6466    -1.8182     0.1015	C.2	1	noname	-0.0037
12	C7    -2.8295    -2.5073    -0.2850	C.2	1	noname	-0.0059
13	C8    -3.8342    -1.8014    -0.9787	C.2	1	noname	0.0507
14	C9     3.3073     1.7589    -1.0200	C.2	1	noname	0.1667
15	C10    -4.9361    -2.2441    -1.4879	C.1	1	noname	-0.0239
16	C11     4.2007     1.2261    -0.0979	C.2	1	noname	0.1638
17	C12    -5.9543    -2.6532    -1.9585	C.1	1	noname	-0.0760
18	C13    -7.1158    -3.1198    -2.4953	C.3	1	noname	-0.0023
19	H1    -1.1431     1.4707    -2.1860	H	1	noname	0.0638
20	H2     1.0926     2.4558    -2.5970	H	1	noname	0.0639
21	H3    -0.9078    -2.2530     0.6542	H	1	noname	0.0638
22	H4    -2.9492    -3.4958    -0.0640	H	1	noname	0.0644
23	H5    -7.9624    -2.6693    -1.9771	H	1	noname	0.0365
24	H6    -7.1574    -4.2034    -2.3853	H	1	noname	0.0365
25	H7    -7.1574    -2.8601    -3.5531	H	1	noname	0.0365
26	H8     6.0384     0.3757    -0.0233	H	1	noname	0.2218
@<TRIPOS>BOND
1	1	6	1
2	1	9	1
3	2	7	1
4	2	13	1
5	3	14	2
6	4	16	1
7	4	26	1
8	5	16	2
9	6	7	1
10	6	8	2
11	7	11	2
12	8	10	1
13	8	19	1
14	9	10	2
15	9	14	1
16	10	20	1
17	11	12	1
18	11	21	1
19	12	13	2
20	12	22	1
21	13	15	1
22	14	16	1
23	15	17	3
24	17	18	1
25	18	23	1
26	18	24	1
27	18	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1