@<TRIPOS>MOLECULE
92234074
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2570     4.4650    -2.3637	O.2	1	noname	-0.3050
2	C1     1.1058     2.5742    -0.7449	C.3	1	noname	-0.0310
3	C2    -0.3675     2.5728    -1.2925	C.3	1	noname	0.0209
4	C3     1.1676     2.8389     0.7917	C.3	1	noname	-0.0318
5	C4    -1.3197     1.6521    -0.4634	C.3	1	noname	-0.0253
6	C5     1.9218     3.6399    -1.4793	C.3	1	noname	-0.0615
7	C6     0.1745     2.0440     1.5108	C.2	1	noname	-0.0880
8	C7    -0.9382     1.5275     0.9457	C.2	1	noname	-0.0879
9	C8    -0.8880     3.9369    -1.2925	C.2	1	noname	0.1254
10	H1     1.4914     1.5628    -0.8733	H	1	noname	0.0310
11	H2    -0.3771     2.2743    -2.3407	H	1	noname	0.0385
12	H3     0.9949     3.8976     0.9853	H	1	noname	0.0312
13	H4     2.1644     2.6715     1.1996	H	1	noname	0.0312
14	H5    -2.3401     2.0292    -0.5317	H	1	noname	0.0317
15	H6    -1.3401     0.6404    -0.8686	H	1	noname	0.0317
16	H7     2.9435     3.6409    -1.0996	H	1	noname	0.0233
17	H8     1.4721     4.6191    -1.3148	H	1	noname	0.0233
18	H9     1.9310     3.4190    -2.5466	H	1	noname	0.0233
19	H10     0.3271     1.8731     2.4739	H	1	noname	0.0572
20	H11    -1.5501     1.0199     1.5357	H	1	noname	0.0572
21	H12    -0.9504     4.4590    -0.4185	H	1	noname	0.1044
@<TRIPOS>BOND
1	1	9	2
2	2	3	1
3	2	4	1
4	2	6	1
5	2	10	1
6	3	5	1
7	3	9	1
8	3	11	1
9	4	7	1
10	4	12	1
11	4	13	1
12	5	8	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	6	18	1
18	7	8	2
19	7	19	1
20	8	20	1
21	9	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1