@<TRIPOS>MOLECULE
86189184
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4200     0.0000     0.0000	O.3	1	noname	-0.3528
2	O2    -0.4733     1.3388     0.0000	O.3	1	noname	-0.3295
3	O3     3.8967    -2.6776     0.0000	O.3	1	noname	-0.3938
4	O4    -2.3667     2.6776     0.0000	O.3	1	noname	-0.3704
5	C1     1.8933    -1.3388     0.0000	C.3	1	noname	0.0727
6	C2     3.4233    -1.3388     0.0000	C.3	1	noname	0.0667
7	C3     0.0000     0.0000     0.0000	C.3	1	noname	0.1494
8	C4    -1.8933     1.3388     0.0000	C.3	1	noname	0.1461
9	H1     1.5300    -1.8526     0.8900	H	1	noname	0.0591
10	H2     1.5300    -1.8526    -0.8900	H	1	noname	0.0591
11	H3     3.7867    -0.8250    -0.8900	H	1	noname	0.0587
12	H4     3.7867    -0.8250     0.8900	H	1	noname	0.0587
13	H5    -0.3633    -0.5138    -0.8900	H	1	noname	0.0884
14	H6    -0.3633    -0.5138     0.8900	H	1	noname	0.0884
15	H7    -2.2567     0.8250    -0.8900	H	1	noname	0.0881
16	H8    -2.2567     0.8250     0.8900	H	1	noname	0.0881
17	H9     4.8767    -2.6776     0.0000	H	1	noname	0.2101
18	H10    -3.3467     2.6776     0.0000	H	1	noname	0.2130
@<TRIPOS>BOND
1	1	5	1
2	1	7	1
3	2	7	1
4	2	8	1
5	3	6	1
6	3	17	1
7	4	8	1
8	4	18	1
9	5	6	1
10	5	9	1
11	5	10	1
12	6	11	1
13	6	12	1
14	7	13	1
15	7	14	1
16	8	15	1
17	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1