COMPND C4H8BH.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 B LIG 1 0.461 0.959 -0.010 1.00 0.00 B HETATM 2 C LIG 1 0.158 0.056 -1.263 1.00 0.00 C HETATM 3 C LIG 1 0.290 0.065 1.273 1.00 0.00 C HETATM 4 C LIG 1 -0.383 -1.232 0.758 1.00 0.00 C HETATM 5 C LIG 1 0.104 -1.387 -0.699 1.00 0.00 C HETATM 6 H LIG 1 0.766 2.115 -0.031 1.00 0.00 H HETATM 7 H LIG 1 0.792 0.185 -2.146 1.00 0.00 H HETATM 8 H LIG 1 -0.855 0.370 -1.584 1.00 0.00 H HETATM 9 H LIG 1 1.329 -0.153 1.590 1.00 0.00 H HETATM 10 H LIG 1 -0.188 0.519 2.148 1.00 0.00 H HETATM 11 H LIG 1 -1.474 -1.098 0.766 1.00 0.00 H HETATM 12 H LIG 1 -0.169 -2.115 1.370 1.00 0.00 H HETATM 13 H LIG 1 -0.525 -2.066 -1.286 1.00 0.00 H HETATM 14 H LIG 1 1.117 -1.811 -0.702 1.00 0.00 H CONECT 1 2 6 3 CONECT 2 7 8 5 1 CONECT 3 1 4 9 10 CONECT 4 5 11 3 12 CONECT 5 13 2 14 4 CONECT 6 1 CONECT 7 2 CONECT 8 2 CONECT 9 3 CONECT 10 3 CONECT 11 4 CONECT 12 4 CONECT 13 5 CONECT 14 5 MASTER 0 0 0 0 0 0 0 0 14 0 14 0 END