COMPND C5H10BH.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 B LIG 1 -0.740 1.307 0.349 1.00 0.00 B HETATM 2 C LIG 1 -0.280 0.367 1.518 1.00 0.00 C HETATM 3 C LIG 1 -0.628 0.834 -1.144 1.00 0.00 C HETATM 4 C LIG 1 -0.424 -0.682 -1.348 1.00 0.00 C HETATM 5 C LIG 1 -0.117 -1.120 1.145 1.00 0.00 C HETATM 6 C LIG 1 0.472 -1.302 -0.262 1.00 0.00 C HETATM 7 H LIG 1 -1.075 2.435 0.592 1.00 0.00 H HETATM 8 H LIG 1 -0.887 0.499 2.424 1.00 0.00 H HETATM 9 H LIG 1 0.705 0.787 1.804 1.00 0.00 H HETATM 10 H LIG 1 -1.450 1.223 -1.760 1.00 0.00 H HETATM 11 H LIG 1 0.258 1.385 -1.518 1.00 0.00 H HETATM 12 H LIG 1 -0.007 -0.892 -2.340 1.00 0.00 H HETATM 13 H LIG 1 -1.401 -1.186 -1.318 1.00 0.00 H HETATM 14 H LIG 1 0.506 -1.640 1.885 1.00 0.00 H HETATM 15 H LIG 1 -1.098 -1.616 1.181 1.00 0.00 H HETATM 16 H LIG 1 0.627 -2.368 -0.469 1.00 0.00 H HETATM 17 H LIG 1 1.467 -0.831 -0.303 1.00 0.00 H CONECT 1 3 7 2 CONECT 2 1 5 9 8 CONECT 3 10 11 4 1 CONECT 4 12 13 3 6 CONECT 5 6 15 2 14 CONECT 6 4 16 17 5 CONECT 7 1 CONECT 8 2 CONECT 9 2 CONECT 10 3 CONECT 11 3 CONECT 12 4 CONECT 13 4 CONECT 14 5 CONECT 15 5 CONECT 16 6 CONECT 17 6 MASTER 0 0 0 0 0 0 0 0 17 0 17 0 END