@<TRIPOS>MOLECULE
71586903
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6465    -0.7761    -0.7609	O.3	1	noname	-0.2188
2	O2    -0.0208     4.3889    -1.7396	O.3	1	noname	-0.2188
3	O3     2.4474     0.5508    -2.1299	O.2	1	noname	-0.2557
4	O4    -1.3844     2.6002    -1.6221	O.2	1	noname	-0.2557
5	C1     0.3057     0.8499    -0.6508	C.3	1	noname	-0.0022
6	C2     1.4342    -0.0162    -0.0875	C.3	1	noname	0.0405
7	C3     0.8268     2.2663    -0.9021	C.3	1	noname	0.0405
8	C4    -0.7721     0.8980     0.2877	C.2	1	noname	-0.0844
9	C5    -2.0671     0.4201    -0.0856	C.3	1	noname	-0.0439
10	C6     2.5347    -0.0653    -1.0457	C.2	1	noname	0.1351
11	C7    -0.2501     3.0928    -1.4396	C.2	1	noname	0.1351
12	C8    -0.5701     1.3872     1.5079	C.2	1	noname	-0.0916
13	H1    -0.0478     0.4211    -1.5885	H	1	noname	0.0359
14	H2     1.0630    -1.0253     0.0915	H	1	noname	0.0378
15	H3     1.7878     0.4125     0.8502	H	1	noname	0.0378
16	H4     1.1804     2.6950     0.0356	H	1	noname	0.0378
17	H5     1.6483     2.2296    -1.6175	H	1	noname	0.0378
18	H6    -2.7911     1.2308    -0.0038	H	1	noname	0.0276
19	H7    -2.3583    -0.3953     0.5765	H	1	noname	0.0276
20	H8    -2.0391     0.0604    -1.1142	H	1	noname	0.0276
21	H9    -1.3163     1.4204     2.1576	H	1	noname	0.0537
22	H10     0.3265     1.7180     1.7664	H	1	noname	0.0537
23	H11    -0.7472     5.0433    -1.6725	H	1	noname	0.2213
24	H12     4.5131    -0.4964    -1.1232	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	24	1
3	2	11	1
4	2	23	1
5	3	10	2
6	4	11	2
7	5	6	1
8	5	7	1
9	5	8	1
10	5	13	1
11	6	10	1
12	6	14	1
13	6	15	1
14	7	11	1
15	7	16	1
16	7	17	1
17	8	9	1
18	8	12	2
19	9	18	1
20	9	19	1
21	9	20	1
22	12	21	1
23	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1