@<TRIPOS>MOLECULE
89357606
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.5107    -0.4732     0.1958	O.2	1	noname	-0.3007
2	C1    -1.1427     0.9543    -0.6690	C.3	1	noname	0.0186
3	C2    -1.6213     1.4298     0.7042	C.3	1	noname	-0.0463
4	C3    -0.1440     1.9638    -1.2387	C.3	1	noname	-0.0552
5	C4    -0.4957    -0.3477    -0.5349	C.2	1	noname	0.0924
6	C5    -2.6199     0.4203     1.2739	C.3	1	noname	-0.0647
7	C6    -0.9880    -1.4239    -1.2050	C.2	1	noname	0.0150
8	C7    -0.8504    -2.6446    -0.6953	C.2	1	noname	-0.0504
9	C8    -0.1848    -2.8255     0.5574	C.3	1	noname	-0.0465
10	H1    -1.9961     0.8684    -1.3416	H	1	noname	0.0383
11	H2    -2.1043     2.4018     0.6041	H	1	noname	0.0271
12	H3    -0.7678     1.5157     1.3767	H	1	noname	0.0271
13	H4     0.1970     1.6250    -2.2170	H	1	noname	0.0238
14	H5    -0.6270     2.9358    -1.3389	H	1	noname	0.0238
15	H6     0.7095     2.0497    -0.5662	H	1	noname	0.0238
16	H7    -2.9609     0.7591     2.2522	H	1	noname	0.0231
17	H8    -3.4734     0.3344     0.6013	H	1	noname	0.0231
18	H9    -2.1369    -0.5517     1.3740	H	1	noname	0.0231
19	H10    -1.4488    -1.2986    -2.0722	H	1	noname	0.0656
20	H11    -1.2087    -3.4280    -1.1831	H	1	noname	0.0574
21	H12    -0.8687    -3.2883     1.2688	H	1	noname	0.0273
22	H13     0.1377    -1.8573     0.9406	H	1	noname	0.0273
23	H14     0.6841    -3.4686     0.4176	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	5	2
2	2	3	1
3	2	4	1
4	2	5	1
5	2	10	1
6	3	6	1
7	3	11	1
8	3	12	1
9	4	13	1
10	4	14	1
11	4	15	1
12	5	7	1
13	6	16	1
14	6	17	1
15	6	18	1
16	7	8	2
17	7	19	1
18	8	9	1
19	8	20	1
20	9	21	1
21	9	22	1
22	9	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1