@<TRIPOS>MOLECULE
58655415
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0251    -0.0010     0.1435	O.3	1	noname	-0.1631
2	O2     2.0939    -0.9964     0.2590	O.2	1	noname	-0.2574
3	C1     1.8432     3.7582    -0.4505	C.3	1	noname	-0.0216
4	C2     1.2139     2.4570    -0.2449	C.2	1	noname	-0.0002
5	C3     2.0864     4.4269     0.9040	C.3	1	noname	-0.0587
6	C4     3.1784     3.5704    -1.1736	C.3	1	noname	-0.0587
7	C5     2.0529     1.3115    -0.0867	C.2	1	noname	0.0667
8	C6    -0.2126     2.3875    -0.2111	C.2	1	noname	-0.0116
9	C7     1.4165     0.0441     0.1139	C.2	1	noname	0.1088
10	C8    -0.8110     1.1021    -0.0084	C.2	1	noname	-0.0046
11	H1     1.1886     4.3872    -1.0538	H	1	noname	0.0346
12	H2     2.5563     5.3983     0.7505	H	1	noname	0.0236
13	H3     1.1352     4.5606     1.4192	H	1	noname	0.0236
14	H4     3.6483     4.5419    -1.3271	H	1	noname	0.0236
15	H5     3.0052     3.0941    -2.1386	H	1	noname	0.0236
16	H6     3.8331     2.9415    -0.5703	H	1	noname	0.0236
17	H7     2.7411     3.7979     1.5073	H	1	noname	0.0236
18	H8     3.0692     1.3934    -0.1156	H	1	noname	0.0689
19	H9    -0.7848     3.2239    -0.3272	H	1	noname	0.0646
20	H10    -1.8250     0.9972     0.0240	H	1	noname	0.0902
@<TRIPOS>BOND
1	1	9	1
2	1	10	1
3	2	9	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	11	1
8	4	7	2
9	4	8	1
10	5	12	1
11	5	13	1
12	5	17	1
13	6	14	1
14	6	15	1
15	6	16	1
16	7	9	1
17	7	18	1
18	8	10	2
19	8	19	1
20	10	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1