@<TRIPOS>MOLECULE
86168058
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1225     2.0637    -0.4986	O.3	1	noname	-0.2041
2	O2    -1.8335     0.8410    -1.6788	O.2	1	noname	-0.2602
3	C1     2.2129    -0.5512     0.4484	C.3	1	noname	-0.0229
4	C2     1.1632     0.2459    -0.1063	C.2	1	noname	0.0011
5	C3     1.2408     1.6444    -0.3755	C.3	1	noname	0.0866
6	C4    -0.0371    -0.1969    -0.4524	C.2	1	noname	0.0647
7	C5     2.1000    -0.5528     1.9742	C.3	1	noname	-0.0589
8	C6     2.0948    -1.9846    -0.0733	C.3	1	noname	-0.0589
9	C7     1.9653     1.8686    -1.7043	C.3	1	noname	-0.0341
10	C8    -0.8038     0.8948    -0.9723	C.2	1	noname	0.0982
11	H1     3.1775    -0.1364     0.1559	H	1	noname	0.0344
12	H2     1.7846     2.1937     0.3930	H	1	noname	0.0655
13	H3    -0.3525    -1.1313    -0.3656	H	1	noname	0.0687
14	H4     2.8949    -2.5922     0.3496	H	1	noname	0.0236
15	H5     1.1302    -2.3995     0.2193	H	1	noname	0.0236
16	H6     2.1752    -1.9835    -1.1603	H	1	noname	0.0236
17	H7     2.9001    -1.1604     2.3971	H	1	noname	0.0236
18	H8     1.1354    -0.9676     2.2668	H	1	noname	0.0236
19	H9     2.1841     0.4684     2.3459	H	1	noname	0.0236
20	H10     3.0033     1.5493    -1.6105	H	1	noname	0.0260
21	H11     1.4762     1.2889    -2.4871	H	1	noname	0.0260
22	H12     1.9326     2.9272    -1.9619	H	1	noname	0.0260
@<TRIPOS>BOND
1	1	5	1
2	1	10	1
3	2	10	2
4	3	4	1
5	3	7	1
6	3	8	1
7	3	11	1
8	4	5	1
9	4	6	2
10	5	9	1
11	5	12	1
12	6	10	1
13	6	13	1
14	7	17	1
15	7	18	1
16	7	19	1
17	8	14	1
18	8	15	1
19	8	16	1
20	9	20	1
21	9	21	1
22	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1