@<TRIPOS>MOLECULE
76957756
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0257     3.8789     0.7619	O.3	1	noname	-0.2191
2	O2    -0.6308     4.3938    -1.3302	O.2	1	noname	-0.2598
3	C1    -0.3405    -0.1497    -0.3502	C.2	1	noname	-0.0241
4	C2    -0.0303    -0.4735    -1.6659	C.2	1	noname	-0.0201
5	C3    -0.4226     1.1828     0.0368	C.2	1	noname	0.0076
6	C4     0.1977     0.5352    -2.5946	C.2	1	noname	-0.0289
7	C5    -0.1946     2.1915    -0.8920	C.2	1	noname	0.0019
8	C6    -0.5685    -1.1585     0.5786	C.2	1	noname	-0.0456
9	C7     0.0519    -1.8061    -2.0528	C.2	1	noname	-0.0431
10	C8     0.1156     1.8677    -2.2077	C.2	1	noname	-0.0011
11	C9    -0.4863    -2.4910     0.1917	C.2	1	noname	-0.0568
12	C10    -0.1761    -2.8148    -1.1240	C.2	1	noname	-0.0566
13	C11    -0.2768     3.5240    -0.5051	C.2	1	noname	0.0841
14	H1    -0.6503     1.4204     1.0022	H	1	noname	0.0637
15	H2     0.4253     0.2976    -3.5601	H	1	noname	0.0629
16	H3    -0.7961    -0.9208     1.5441	H	1	noname	0.0629
17	H4     0.2795    -2.0437    -3.0183	H	1	noname	0.0629
18	H5     0.2829     2.6079    -2.8892	H	1	noname	0.0631
19	H6    -0.6537    -3.2312     0.8732	H	1	noname	0.0622
20	H7    -0.1158    -3.7926    -1.4080	H	1	noname	0.0622
21	H8    -0.4148     4.6521     1.1726	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	13	1
2	1	21	1
3	2	13	2
4	3	4	1
5	3	5	1
6	3	8	2
7	4	6	1
8	4	9	2
9	5	7	2
10	5	14	1
11	6	10	2
12	6	15	1
13	7	10	1
14	7	13	1
15	8	11	1
16	8	16	1
17	9	12	1
18	9	17	1
19	10	18	1
20	11	12	2
21	11	19	1
22	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1