@<TRIPOS>MOLECULE
68816315
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1513    -1.5953    -2.1039	O.3	1	noname	-0.2168
2	O2     2.6742     1.7582     0.0910	O.3	1	noname	-0.2859
3	O3     0.1616    -3.0387    -0.4036	O.2	1	noname	-0.2533
4	C1    -1.1824    -1.1683     0.0593	C.3	1	noname	0.0672
5	C2    -0.5960     0.1629     0.1844	C.2	1	noname	-0.0403
6	C3    -1.2524    -1.8264     1.4388	C.3	1	noname	-0.0490
7	C4     0.7798     0.3293     0.0766	C.2	1	noname	-0.0248
8	C5    -1.4136     1.2639     0.4112	C.2	1	noname	-0.0655
9	C6    -0.3561    -1.9827    -0.8270	C.2	1	noname	0.1386
10	C7     1.3380     1.5967     0.1956	C.2	1	noname	0.0000
11	C8    -0.8553     2.5313     0.5302	C.2	1	noname	-0.0505
12	C9     0.5205     2.6977     0.4224	C.2	1	noname	-0.0323
13	H1    -2.1871    -1.0853    -0.3550	H	1	noname	0.0456
14	H2    -1.6902    -2.8202     1.3455	H	1	noname	0.0242
15	H3    -1.8692    -1.2183     2.1005	H	1	noname	0.0242
16	H4    -0.2477    -1.9094     1.8532	H	1	noname	0.0242
17	H5     1.3797    -0.4787    -0.0898	H	1	noname	0.0653
18	H6    -2.4232     1.1419     0.4903	H	1	noname	0.0625
19	H7    -1.4553     3.3393     0.6966	H	1	noname	0.0623
20	H8     0.9301     3.6277     0.5098	H	1	noname	0.0650
21	H9     0.6828    -1.8328    -2.5602	H	1	noname	0.2213
22	H10     3.0971     0.8884    -0.0671	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	9	1
2	1	21	1
3	2	10	1
4	2	22	1
5	3	9	2
6	4	5	1
7	4	6	1
8	4	9	1
9	4	13	1
10	5	7	2
11	5	8	1
12	6	14	1
13	6	15	1
14	6	16	1
15	7	10	1
16	7	17	1
17	8	11	2
18	8	18	1
19	10	12	2
20	11	12	1
21	11	19	1
22	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1