@<TRIPOS>MOLECULE
71587911
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.8548     3.4428     0.0000	O.2	1	noname	-0.3071
2	C1     2.4583    -2.6183     0.0000	C.3	1	noname	-0.0376
3	C2     2.4739    -1.1552    -0.0000	C.2	1	noname	-0.0780
4	C3     1.2330    -3.5687    -0.0000	C.3	1	noname	-0.0619
5	C4     1.5339    -0.1884    -0.0000	C.2	1	noname	-0.0705
6	C5     0.2061    -0.3824    -0.0000	C.2	1	noname	-0.0642
7	C6    -0.7246     0.5823     0.0000	C.2	1	noname	-0.0587
8	C7    -2.0690     0.3535    -0.0000	C.2	1	noname	-0.0388
9	C8    -3.0533     1.2693     0.0000	C.2	1	noname	0.0178
10	C9    -2.8937     2.6427     0.0000	C.2	1	noname	0.0867
11	H1     3.2061    -2.9896    -0.7006	H	1	noname	0.0307
12	H2     2.9710    -2.8456     0.9346	H	1	noname	0.0307
13	H3     3.3941    -0.8387    -0.0000	H	1	noname	0.0575
14	H4     1.5758    -4.6034     0.0000	H	1	noname	0.0233
15	H5     0.6310    -3.3854    -0.8900	H	1	noname	0.0233
16	H6     0.6310    -3.3854     0.8900	H	1	noname	0.0233
17	H7     1.8817     0.7458     0.0000	H	1	noname	0.0619
18	H8    -0.1204    -1.3019    -0.0000	H	1	noname	0.0622
19	H9    -0.4106     1.5106     0.0000	H	1	noname	0.0622
20	H10    -2.3471    -0.5867    -0.0000	H	1	noname	0.0623
21	H11    -3.9850     0.9393    -0.0000	H	1	noname	0.0656
22	H12    -1.9830     3.0790    -0.0000	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