@<TRIPOS>MOLECULE
71587952
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.3492     3.9591    -0.2561	S	1	noname	-0.0485
2	O1    -1.3390     4.3268    -1.5757	O.3	1	noname	-0.1487
3	O2     1.1699     3.9314    -0.7246	O.2	1	noname	-0.1689
4	O3    -0.5362     5.0649     0.8710	O.2	1	noname	-0.1689
5	C1    -0.5204     0.0170     0.4026	C.2	1	noname	-0.0368
6	C2    -1.4866    -0.0798     1.3971	C.2	1	noname	-0.0259
7	C3    -0.7855     2.4098     0.3781	C.2	1	noname	0.0129
8	C4    -0.1698     1.2619    -0.1069	C.2	1	noname	0.0143
9	C5    -2.1024     1.0681     1.8821	C.2	1	noname	-0.0411
10	C6    -1.7518     2.3130     1.3726	C.2	1	noname	0.0111
11	C7     0.1264    -1.1887    -0.1067	C.3	1	noname	0.0003
12	C8    -1.8548    -1.3873     1.9324	C.3	1	noname	0.0031
13	H1     0.5392     1.3330    -0.8367	H	1	noname	0.0642
14	H2    -2.8114     0.9971     2.6119	H	1	noname	0.0626
15	H3    -2.2036     3.1553     1.7284	H	1	noname	0.0639
16	H4    -0.0639    -1.2789    -1.1762	H	1	noname	0.0280
17	H5    -0.2748    -2.0615     0.4085	H	1	noname	0.0280
18	H6     1.2006    -1.1260     0.0672	H	1	noname	0.0280
19	H7    -2.9163    -1.5648     1.7596	H	1	noname	0.0280
20	H8    -1.6519    -1.4119     3.0030	H	1	noname	0.0280
21	H9    -1.2712    -2.1614     1.4340	H	1	noname	0.0280
22	H10    -2.2067     4.6490    -1.2535	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	22	1
6	5	6	2
7	5	8	1
8	5	11	1
9	6	9	1
10	6	12	1
11	7	8	2
12	7	10	1
13	8	13	1
14	9	10	2
15	9	14	1
16	10	15	1
17	11	16	1
18	11	17	1
19	11	18	1
20	12	19	1
21	12	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1