COMPND C3H6BH.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 B LIG 1 0.324 0.897 -0.040 1.00 0.00 B HETATM 2 C LIG 1 0.067 -0.217 -1.138 1.00 0.00 C HETATM 3 C LIG 1 0.171 -0.155 1.133 1.00 0.00 C HETATM 4 C LIG 1 -0.084 -1.244 0.035 1.00 0.00 C HETATM 5 H LIG 1 0.545 2.072 -0.083 1.00 0.00 H HETATM 6 H LIG 1 0.903 -0.410 -1.823 1.00 0.00 H HETATM 7 H LIG 1 -0.823 -0.083 -1.767 1.00 0.00 H HETATM 8 H LIG 1 1.060 -0.315 1.757 1.00 0.00 H HETATM 9 H LIG 1 -0.664 0.019 1.825 1.00 0.00 H HETATM 10 H LIG 1 -1.071 -1.713 0.094 1.00 0.00 H HETATM 11 H LIG 1 0.663 -2.045 0.023 1.00 0.00 H CONECT 1 2 5 3 CONECT 2 6 7 1 4 CONECT 3 1 4 8 9 CONECT 4 2 11 10 3 CONECT 5 1 CONECT 6 2 CONECT 7 2 CONECT 8 3 CONECT 9 3 CONECT 10 4 CONECT 11 4 MASTER 0 0 0 0 0 0 0 0 11 0 11 0 END