@<TRIPOS>MOLECULE
118984355
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7569    -0.0492    -0.6697	O.3	1	noname	-0.3782
2	O2    -1.4273    -1.1424     1.6982	O.3	1	noname	-0.2094
3	O3     0.7491    -1.0882     2.2751	O.2	1	noname	-0.2437
4	O4     2.9087    -1.8628    -0.9857	O.3	1	noname	-0.2180
5	O5    -1.7446     3.0810     1.7903	O.3	1	noname	-0.2180
6	O6    -2.2113     0.9366     1.2843	O.2	1	noname	-0.2548
7	O7     0.7407    -2.1998    -0.4767	O.2	1	noname	-0.2548
8	C1     0.1414     0.1941     0.4028	C.3	1	noname	0.1682
9	C2    -0.0081     1.6418     0.8749	C.3	1	noname	0.0725
10	C3     1.5770    -0.0423    -0.0707	C.3	1	noname	0.0725
11	C4    -0.1622    -0.7116     1.5069	C.2	1	noname	0.1521
12	C5     1.7196    -1.4237    -0.5212	C.2	1	noname	0.1365
13	C6    -1.3780     1.8673     1.3267	C.2	1	noname	0.1365
14	H1     2.2665     0.1445     0.7526	H	1	noname	0.0408
15	H2     1.8036     0.6339    -0.8950	H	1	noname	0.0408
16	H3     0.6814     1.8285     1.6981	H	1	noname	0.0408
17	H4     0.2186     2.3180     0.0506	H	1	noname	0.0408
18	H5    -0.5531     0.5588    -1.4108	H	1	noname	0.2116
19	H6    -1.5901    -2.0227     2.0970	H	1	noname	0.2214
20	H7     3.1598    -2.8039    -0.8773	H	1	noname	0.2213
21	H8    -2.4484     3.1545     2.4683	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	1
2	1	18	1
3	2	11	1
4	2	19	1
5	3	11	2
6	4	12	1
7	4	20	1
8	5	13	1
9	5	21	1
10	6	13	2
11	7	12	2
12	8	9	1
13	8	10	1
14	8	11	1
15	9	13	1
16	9	16	1
17	9	17	1
18	10	12	1
19	10	14	1
20	10	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1