@<TRIPOS>MOLECULE
71586811
20 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3098     0.0018     0.1912	O.3	1	noname	-0.1475
2	O2     3.1712     1.2930    -0.5746	O.2	1	noname	-0.2484
3	C1    -0.2229     2.2207     0.7673	C.3	1	noname	-0.0006
4	C2     1.2978     2.5328     0.4824	C.3	1	noname	0.0531
5	C3     0.7492     1.8551     1.7877	C.3	1	noname	-0.0326
6	C4    -0.8424     1.0945    -0.0082	C.2	1	noname	-0.0105
7	C5     2.0473     1.2521    -0.0289	C.2	1	noname	0.1600
8	C6     0.0016    -0.0155    -0.2768	C.2	1	noname	0.0117
9	C7    -2.0291     1.2522    -0.7146	C.2	1	noname	-0.0433
10	C8    -0.5243    -1.1643    -0.8563	C.2	1	noname	-0.0171
11	C9    -2.3897     0.3235    -1.6838	C.2	1	noname	-0.0622
12	C10    -1.7525    -0.9912    -1.6024	C.2	1	noname	-0.0487
13	H1    -0.8084     3.0979     1.0428	H	1	noname	0.0361
14	H2     1.7536     3.4979     0.7041	H	1	noname	0.0415
15	H3     0.7227     2.5880     2.5941	H	1	noname	0.0281
16	H4     0.9542     0.7919     1.9130	H	1	noname	0.0281
17	H5    -2.6354     2.0495    -0.5216	H	1	noname	0.0626
18	H6    -0.0724    -2.0738    -0.7614	H	1	noname	0.0650
19	H7    -3.0646     0.5471    -2.4152	H	1	noname	0.0622
20	H8    -2.1761    -1.7901    -2.0742	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	7	1
2	1	8	1
3	2	7	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	13	1
8	4	5	1
9	4	7	1
10	4	14	1
11	5	15	1
12	5	16	1
13	6	8	1
14	6	9	2
15	8	10	2
16	9	11	1
17	9	17	1
18	10	12	1
19	10	18	1
20	11	12	2
21	11	19	1
22	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1