@<TRIPOS>MOLECULE
86168060
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0408     2.1741    -0.5659	O.3	1	noname	-0.2019
2	O2    -2.0246     0.8208    -0.7854	O.2	1	noname	-0.2600
3	C1     1.2904     1.6578    -0.4599	C.3	1	noname	0.0942
4	C2     1.1765     0.5527     0.4345	C.2	1	noname	0.0011
5	C3     2.2605    -0.0597     1.1379	C.3	1	noname	-0.0315
6	C4     1.7546     1.1594    -1.8300	C.3	1	noname	-0.0315
7	C5     2.3380     2.6798    -0.0140	C.3	1	noname	-0.0315
8	C6    -0.0944     0.1840     0.5096	C.2	1	noname	0.0649
9	C7    -0.8755     1.0308    -0.3406	C.2	1	noname	0.0989
10	C8     2.8464    -1.1893     0.2884	C.3	1	noname	-0.0615
11	H1     1.8976    -0.4659     2.0821	H	1	noname	0.0311
12	H2     3.0322     0.6844     1.3352	H	1	noname	0.0311
13	H3     2.7680     0.7663    -1.7493	H	1	noname	0.0263
14	H4     1.0856     0.3713    -2.1756	H	1	noname	0.0263
15	H5     1.7407     1.9855    -2.5410	H	1	noname	0.0263
16	H6     3.3151     2.1995     0.0380	H	1	noname	0.0263
17	H7     2.0713     3.0683     0.9689	H	1	noname	0.0263
18	H8     2.3740     3.4998    -0.7313	H	1	noname	0.0263
19	H9    -0.4465    -0.5569     1.0638	H	1	noname	0.0687
20	H10     3.6727    -1.6561     0.8246	H	1	noname	0.0234
21	H11     2.0747    -1.9333     0.0912	H	1	noname	0.0234
22	H12     3.2093    -0.7831    -0.6557	H	1	noname	0.0234
@<TRIPOS>BOND
1	1	3	1
2	1	9	1
3	2	9	2
4	3	4	1
5	3	6	1
6	3	7	1
7	4	5	1
8	4	8	2
9	5	10	1
10	5	11	1
11	5	12	1
12	6	13	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	7	18	1
18	8	9	1
19	8	19	1
20	10	20	1
21	10	21	1
22	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1