@<TRIPOS>MOLECULE
90725965
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3394     0.5658    -0.6981	O.3	1	noname	-0.3358
2	O2     0.9361    -0.9711    -2.5465	O.3	1	noname	-0.3668
3	O3     2.2138    -1.9584    -0.3983	O.3	1	noname	-0.3869
4	O4     1.4555     2.0505    -0.4712	O.3	1	noname	-0.3656
5	O5    -0.2442    -0.6791     1.9578	O.3	1	noname	-0.3930
6	C1     0.1254    -0.7815    -0.4203	C.3	1	noname	0.1461
7	C2     1.6327    -0.6653    -0.3163	C.3	1	noname	0.1188
8	C3     1.6196    -0.0311    -1.6878	C.3	1	noname	0.1371
9	C4     0.0719    -1.7039    -1.6523	C.3	1	noname	0.0816
10	C5     0.7619     1.2087    -1.3804	C.3	1	noname	0.1845
11	C6    -0.5158    -1.4498     0.7965	C.3	1	noname	0.0774
12	H1     1.9875    -0.0300     0.4952	H	1	noname	0.0662
13	H2     2.6018     0.2537    -2.0649	H	1	noname	0.0685
14	H3    -0.9413    -1.7150    -2.0541	H	1	noname	0.0599
15	H4     0.4509    -2.6938    -1.3982	H	1	noname	0.0599
16	H5     0.4713     1.7830    -2.2601	H	1	noname	0.0949
17	H6    -1.5937    -1.5163     0.6485	H	1	noname	0.0595
18	H7    -0.1036    -2.4512     0.9203	H	1	noname	0.0595
19	H8     3.1886    -1.8832    -0.3311	H	1	noname	0.2107
20	H9     0.8428     2.7326    -0.1252	H	1	noname	0.2134
21	H10    -0.6551    -1.1074     2.7376	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	6	1
2	1	10	1
3	2	8	1
4	2	9	1
5	7	3	1
6	3	19	1
7	10	4	1
8	4	20	1
9	5	11	1
10	5	21	1
11	6	7	1
12	6	9	1
13	6	11	1
14	7	8	1
15	7	12	1
16	8	10	1
17	8	13	1
18	9	14	1
19	9	15	1
20	10	16	1
21	11	17	1
22	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1