@<TRIPOS>MOLECULE
88308882
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.7491    -3.0028    -0.0592	O.3	1	noname	-0.2189
2	O2    -2.1248     3.2656    -0.0585	O.3	1	noname	-0.2189
3	O3     4.0665    -0.7747     0.0278	O.2	1	noname	-0.2559
4	O4    -2.4422     1.0375    -0.1455	O.2	1	noname	-0.2559
5	C1     0.0579     0.2569    -0.0818	C.3	1	noname	-0.0434
6	C2     1.5664     0.0059    -0.0359	C.3	1	noname	-0.0434
7	C3    -0.2101     1.7627    -0.0404	C.3	1	noname	0.0335
8	C4     1.8344    -1.4999    -0.0773	C.3	1	noname	0.0335
9	C5     3.2739    -1.7394    -0.0335	C.2	1	noname	0.1348
10	C6    -1.6497     2.0022    -0.0842	C.2	1	noname	0.1348
11	H1    -0.4161    -0.2202     0.7760	H	1	noname	0.0272
12	H2     1.9763     0.4227     0.8841	H	1	noname	0.0272
13	H3     2.0404     0.4830    -0.8937	H	1	noname	0.0272
14	H4    -0.3520    -0.1599    -1.0018	H	1	noname	0.0272
15	H5     1.3604    -1.9770     0.7805	H	1	noname	0.0372
16	H6     1.4245    -1.9167    -0.9973	H	1	noname	0.0372
17	H7     0.1997     2.1795     0.8796	H	1	noname	0.0372
18	H8     0.2639     2.2398    -0.8982	H	1	noname	0.0372
19	H9    -2.9694     3.4806    -0.5066	H	1	noname	0.2213
20	H10     4.5937    -3.2178     0.3888	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	20	1
3	2	10	1
4	2	19	1
5	3	9	2
6	4	10	2
7	5	6	1
8	5	7	1
9	5	11	1
10	5	14	1
11	6	8	1
12	6	12	1
13	6	13	1
14	7	10	1
15	7	17	1
16	7	18	1
17	8	9	1
18	8	15	1
19	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1