COMPND cys.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 N LIG 1 1.173 1.267 0.666 1.00 0.00 N HETATM 2 C LIG 1 0.042 0.351 0.686 1.00 0.00 C HETATM 3 C LIG 1 0.048 -0.751 -0.385 1.00 0.00 C HETATM 4 O LIG 1 -0.927 -1.181 -0.965 1.00 0.00 O HETATM 5 O LIG 1 1.291 -1.245 -0.593 1.00 0.00 O HETATM 6 C LIG 1 -1.288 1.115 0.659 1.00 0.00 C HETATM 7 S LIG 1 -1.537 2.160 -0.841 1.00 0.00 S HETATM 8 H LIG 1 2.048 0.751 0.625 1.00 0.00 H HETATM 9 H LIG 1 1.122 1.842 -0.174 1.00 0.00 H HETATM 10 H LIG 1 0.075 -0.196 1.643 1.00 0.00 H HETATM 11 H LIG 1 -1.811 1.138 -1.677 1.00 0.00 H HETATM 12 H LIG 1 -2.124 0.422 0.745 1.00 0.00 H HETATM 13 H LIG 1 -1.309 1.807 1.504 1.00 0.00 H HETATM 14 H LIG 1 1.197 -1.952 -1.255 1.00 0.00 H CONECT 1 9 8 2 CONECT 2 3 6 1 10 CONECT 3 4 5 2 CONECT 4 3 CONECT 5 14 3 CONECT 6 7 2 12 13 CONECT 7 11 6 CONECT 8 1 CONECT 9 1 CONECT 10 2 CONECT 11 7 CONECT 12 6 CONECT 13 6 CONECT 14 5 MASTER 0 0 0 0 0 0 0 0 14 0 14 0 END