@<TRIPOS>MOLECULE
57517938
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.1262     4.1739    -0.1346	O.2	1	noname	-0.3071
2	C1     3.3892    -0.9636     0.2981	C.3	1	noname	-0.0376
3	C2     1.9668    -1.0947     0.2298	C.2	1	noname	-0.0780
4	C3     4.0241    -1.6609    -0.9067	C.3	1	noname	-0.0619
5	C4     1.2011    -0.0090     0.1689	C.2	1	noname	-0.0705
6	C5    -0.1218    -0.1310     0.1053	C.2	1	noname	-0.0642
7	C6    -0.8876     0.9547     0.0444	C.2	1	noname	-0.0587
8	C7    -2.2104     0.8328    -0.0191	C.2	1	noname	-0.0388
9	C8    -2.9762     1.9185    -0.0800	C.2	1	noname	0.0178
10	C9    -2.4065     3.1534    -0.0773	C.2	1	noname	0.0867
11	H1     3.6575     0.0928     0.2894	H	1	noname	0.0307
12	H2     3.7527    -1.4233     1.2171	H	1	noname	0.0307
13	H3     1.5521    -1.9937     0.2278	H	1	noname	0.0575
14	H4     5.1082    -1.5610    -0.8547	H	1	noname	0.0233
15	H5     3.6605    -1.2012    -1.8258	H	1	noname	0.0233
16	H6     3.7558    -2.7173    -0.8981	H	1	noname	0.0233
17	H7     1.6158     0.8899     0.1708	H	1	noname	0.0619
18	H8    -0.5365    -1.0299     0.1034	H	1	noname	0.0622
19	H9    -0.4729     1.8537     0.0464	H	1	noname	0.0622
20	H10    -2.6251    -0.0662    -0.0211	H	1	noname	0.0623
21	H11    -3.9609     1.8277    -0.1273	H	1	noname	0.0656
22	H12    -1.3920     3.2470    -0.0286	H	1	noname	0.1091
@<TRIPOS>BOND
1	1	10	2
2	2	3	1
3	2	4	1
4	2	11	1
5	2	12	1
6	3	5	2
7	3	13	1
8	4	14	1
9	4	15	1
10	4	16	1
11	5	6	1
12	5	17	1
13	6	7	2
14	6	18	1
15	7	8	1
16	7	19	1
17	8	9	2
18	8	20	1
19	9	10	1
20	9	21	1
21	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1