@<TRIPOS>MOLECULE
71587862
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6466     0.4557     0.7482	O.3	1	noname	-0.3761
2	O2     1.5653     2.0733    -1.3649	O.3	1	noname	-0.3792
3	O3    -0.2694    -1.7588    -0.8810	O.3	1	noname	-0.2087
4	O4    -2.1474    -0.5246    -0.7319	O.2	1	noname	-0.2428
5	O5     0.6335     1.3244    -4.0047	O.3	1	noname	-0.2097
6	O6    -1.2277     0.9975    -2.7792	O.2	1	noname	-0.2440
7	O7    -2.8913     2.4762     1.2234	O.3	1	noname	-0.2180
8	O8    -1.8651     0.4933     1.5196	O.2	1	noname	-0.2548
9	C1    -0.1230     0.6292    -0.4324	C.3	1	noname	0.1946
10	C2     0.8102     0.8970    -1.6148	C.3	1	noname	0.1782
11	C3    -1.0720     1.8158    -0.2528	C.3	1	noname	0.0752
12	C4    -0.8994    -0.5803    -0.6894	C.2	1	noname	0.1534
13	C5     0.0189     1.0754    -2.8287	C.2	1	noname	0.1517
14	C6    -1.9626     1.5602     0.8756	C.2	1	noname	0.1365
15	H1     1.4863     0.0516    -1.7428	H	1	noname	0.0747
16	H2    -1.6628     1.9490    -1.1590	H	1	noname	0.0409
17	H3    -0.4924     2.7187    -0.0609	H	1	noname	0.0409
18	H4     1.2545    -0.3044     0.6332	H	1	noname	0.2117
19	H5     2.1631     2.2448    -2.1223	H	1	noname	0.2113
20	H6    -0.6724    -2.4420    -1.4566	H	1	noname	0.2214
21	H7     0.1804     1.8570    -4.6912	H	1	noname	0.2214
22	H8    -3.7332     2.1886     1.6344	H	1	noname	0.2213
@<TRIPOS>BOND
1	9	1	1
2	1	18	1
3	10	2	1
4	2	19	1
5	3	12	1
6	3	20	1
7	4	12	2
8	5	13	1
9	5	21	1
10	6	13	2
11	7	14	1
12	7	22	1
13	8	14	2
14	9	10	1
15	9	11	1
16	9	12	1
17	10	13	1
18	10	15	1
19	11	14	1
20	11	16	1
21	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1