COMPND C4H8S.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 S LIG 1 0.394 1.848 0.275 1.00 0.00 S HETATM 2 C LIG 1 1.196 0.196 0.012 1.00 0.00 C HETATM 3 C LIG 1 -1.324 1.149 0.258 1.00 0.00 C HETATM 4 C LIG 1 -1.204 -0.289 -0.263 1.00 0.00 C HETATM 5 C LIG 1 0.114 -0.855 0.281 1.00 0.00 C HETATM 6 H LIG 1 2.051 0.104 0.685 1.00 0.00 H HETATM 7 H LIG 1 1.558 0.139 -1.019 1.00 0.00 H HETATM 8 H LIG 1 -1.725 1.170 1.275 1.00 0.00 H HETATM 9 H LIG 1 -1.956 1.774 -0.376 1.00 0.00 H HETATM 10 H LIG 1 -2.064 -0.893 0.049 1.00 0.00 H HETATM 11 H LIG 1 -1.188 -0.289 -1.361 1.00 0.00 H HETATM 12 H LIG 1 0.370 -1.813 -0.185 1.00 0.00 H HETATM 13 H LIG 1 0.022 -1.024 1.361 1.00 0.00 H CONECT 1 2 3 CONECT 2 7 1 5 6 CONECT 3 9 4 1 8 CONECT 4 11 10 3 5 CONECT 5 4 12 2 13 CONECT 6 2 CONECT 7 2 CONECT 8 3 CONECT 9 3 CONECT 10 4 CONECT 11 4 CONECT 12 5 CONECT 13 5 MASTER 0 0 0 0 0 0 0 0 13 0 13 0 END