COMPND CH3BHCH3.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 B LIG 1 0.341 0.284 -0.027 1.00 0.00 B HETATM 2 C LIG 1 -0.020 -0.221 1.414 1.00 0.00 C HETATM 3 C LIG 1 -0.334 -0.234 -1.345 1.00 0.00 C HETATM 4 H LIG 1 1.198 1.122 -0.125 1.00 0.00 H HETATM 5 H LIG 1 -0.706 -1.073 1.454 1.00 0.00 H HETATM 6 H LIG 1 -0.494 0.618 1.950 1.00 0.00 H HETATM 7 H LIG 1 0.878 -0.452 2.001 1.00 0.00 H HETATM 8 H LIG 1 -1.213 -0.871 -1.199 1.00 0.00 H HETATM 9 H LIG 1 0.421 -0.831 -1.884 1.00 0.00 H HETATM 10 H LIG 1 -0.587 0.582 -2.033 1.00 0.00 H CONECT 1 3 4 2 CONECT 2 1 5 6 7 CONECT 3 10 9 8 1 CONECT 4 1 CONECT 5 2 CONECT 6 2 CONECT 7 2 CONECT 8 3 CONECT 9 3 CONECT 10 3 MASTER 0 0 0 0 0 0 0 0 10 0 10 0 END