COMPND C5H10O.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 O LIG 1 -0.172 1.665 0.284 1.00 0.00 O HETATM 2 C LIG 1 0.407 0.840 1.291 1.00 0.00 C HETATM 3 C LIG 1 0.128 1.199 -1.027 1.00 0.00 C HETATM 4 C LIG 1 -0.401 -0.218 -1.264 1.00 0.00 C HETATM 5 C LIG 1 -0.111 -0.598 1.209 1.00 0.00 C HETATM 6 C LIG 1 0.146 -1.175 -0.190 1.00 0.00 C HETATM 7 H LIG 1 0.151 1.303 2.249 1.00 0.00 H HETATM 8 H LIG 1 1.508 0.848 1.193 1.00 0.00 H HETATM 9 H LIG 1 -0.328 1.917 -1.715 1.00 0.00 H HETATM 10 H LIG 1 1.221 1.220 -1.188 1.00 0.00 H HETATM 11 H LIG 1 -0.120 -0.558 -2.268 1.00 0.00 H HETATM 12 H LIG 1 -1.498 -0.200 -1.218 1.00 0.00 H HETATM 13 H LIG 1 0.367 -1.209 1.986 1.00 0.00 H HETATM 14 H LIG 1 -1.189 -0.596 1.415 1.00 0.00 H HETATM 15 H LIG 1 -0.302 -2.170 -0.291 1.00 0.00 H HETATM 16 H LIG 1 1.228 -1.298 -0.337 1.00 0.00 H CONECT 1 3 2 CONECT 2 1 8 5 7 CONECT 3 9 4 10 1 CONECT 4 11 12 3 6 CONECT 5 6 2 14 13 CONECT 6 4 16 15 5 CONECT 7 2 CONECT 8 2 CONECT 9 3 CONECT 10 3 CONECT 11 4 CONECT 12 4 CONECT 13 5 CONECT 14 5 CONECT 15 6 CONECT 16 6 MASTER 0 0 0 0 0 0 0 0 16 0 16 0 END