@<TRIPOS>MOLECULE
71586850
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0563    -1.2154     0.1215	O.3	1	noname	-0.2630
2	O2    -1.9892    -1.1922     0.4682	O.3	1	noname	-0.2171
3	O3    -0.2559    -2.2561    -0.4964	O.2	1	noname	-0.2567
4	O4     3.9686     2.1408     0.6557	O.3	1	noname	-0.2239
5	O5     3.8669     1.0858    -1.0318	O.2	1	noname	-0.2545
6	N1     3.4294     1.1536     0.0496	N.2	1	noname	-0.1973
7	C1    -0.0079    -0.0144    -0.0469	C.2	1	noname	0.0326
8	C2     1.4048    -0.0226     0.0146	C.2	1	noname	0.0892
9	C3     2.1104     1.1998    -0.0255	C.2	1	noname	0.0557
10	C4    -0.6974     1.2114    -0.1484	C.2	1	noname	-0.0042
11	C5     1.3810     2.4098    -0.1565	C.2	1	noname	0.0177
12	C6    -0.0012     2.4179    -0.1902	C.2	1	noname	-0.0431
13	C7    -0.7332    -1.1987    -0.0310	C.2	1	noname	0.0962
14	H1    -1.7062     1.2515    -0.2087	H	1	noname	0.0632
15	H2     1.8091     3.3242    -0.2378	H	1	noname	0.0657
16	H3    -0.4754     3.3133    -0.2625	H	1	noname	0.0624
17	H4     2.9221    -1.1104    -0.3218	H	1	noname	0.2183
18	H5    -2.6232    -1.8751     0.1886	H	1	noname	0.2216
19	H6     3.4060     2.9473     0.5103	H	1	noname	0.2597
20	H7     3.6816     0.3996     0.5262	H	1	noname	0.2776
@<TRIPOS>BOND
1	1	8	1
2	1	17	1
3	2	13	1
4	2	18	1
5	3	13	2
6	4	6	1
7	4	19	1
8	5	6	2
9	6	9	1
10	6	20	1
11	7	8	2
12	7	10	1
13	7	13	1
14	8	9	1
15	9	11	2
16	10	12	2
17	10	14	1
18	11	12	1
19	11	15	1
20	12	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1