COMPND met.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 N LIG 1 -0.522 1.670 1.576 1.00 0.00 N HETATM 2 C LIG 1 0.400 0.539 1.710 1.00 0.00 C HETATM 3 C LIG 1 1.694 0.816 0.949 1.00 0.00 C HETATM 4 O LIG 1 2.350 -0.004 0.346 1.00 0.00 O HETATM 5 O LIG 1 2.088 2.107 1.080 1.00 0.00 O HETATM 6 C LIG 1 -0.258 -0.773 1.247 1.00 0.00 C HETATM 7 C LIG 1 -0.806 -0.717 -0.181 1.00 0.00 C HETATM 8 S LIG 1 -1.778 -2.237 -0.528 1.00 0.00 S HETATM 9 C LIG 1 -2.284 -1.892 -2.249 1.00 0.00 C HETATM 10 H LIG 1 -0.063 2.533 1.855 1.00 0.00 H HETATM 11 H LIG 1 -1.314 1.533 2.199 1.00 0.00 H HETATM 12 H LIG 1 0.741 0.377 2.752 1.00 0.00 H HETATM 13 H LIG 1 -1.072 -0.999 1.949 1.00 0.00 H HETATM 14 H LIG 1 0.478 -1.577 1.337 1.00 0.00 H HETATM 15 H LIG 1 0.019 -0.648 -0.897 1.00 0.00 H HETATM 16 H LIG 1 -1.447 0.161 -0.300 1.00 0.00 H HETATM 17 H LIG 1 -2.970 -2.689 -2.544 1.00 0.00 H HETATM 18 H LIG 1 -1.427 -1.892 -2.929 1.00 0.00 H HETATM 19 H LIG 1 -2.807 -0.934 -2.316 1.00 0.00 H HETATM 20 H LIG 1 2.929 2.185 0.597 1.00 0.00 H CONECT 1 2 10 11 CONECT 2 3 6 1 12 CONECT 3 4 5 2 CONECT 4 3 CONECT 5 20 3 CONECT 6 7 14 2 13 CONECT 7 15 8 16 6 CONECT 8 9 7 CONECT 9 18 17 19 8 CONECT 10 1 CONECT 11 1 CONECT 12 2 CONECT 13 6 CONECT 14 6 CONECT 15 7 CONECT 16 7 CONECT 17 9 CONECT 18 9 CONECT 19 9 CONECT 20 5 MASTER 0 0 0 0 0 0 0 0 20 0 20 0 END