COMPND ala.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 N LIG 1 -1.020 1.690 0.788 1.00 0.00 N HETATM 2 C LIG 1 -0.314 0.412 0.939 1.00 0.00 C HETATM 3 C LIG 1 0.812 0.351 -0.086 1.00 0.00 C HETATM 4 O LIG 1 1.971 0.099 0.151 1.00 0.00 O HETATM 5 O LIG 1 0.357 0.582 -1.345 1.00 0.00 O HETATM 6 C LIG 1 -1.204 -0.843 0.832 1.00 0.00 C HETATM 7 H LIG 1 -1.739 1.763 1.505 1.00 0.00 H HETATM 8 H LIG 1 -1.494 1.710 -0.112 1.00 0.00 H HETATM 9 H LIG 1 0.189 0.415 1.910 1.00 0.00 H HETATM 10 H LIG 1 -1.966 -0.822 1.619 1.00 0.00 H HETATM 11 H LIG 1 -0.627 -1.768 0.948 1.00 0.00 H HETATM 12 H LIG 1 -1.711 -0.872 -0.138 1.00 0.00 H HETATM 13 H LIG 1 1.136 0.532 -1.925 1.00 0.00 H CONECT 1 8 2 7 CONECT 2 3 1 6 9 CONECT 3 5 4 2 CONECT 4 3 CONECT 5 13 3 CONECT 6 12 2 11 10 CONECT 7 1 CONECT 8 1 CONECT 9 2 CONECT 10 6 CONECT 11 6 CONECT 12 6 CONECT 13 5 MASTER 0 0 0 0 0 0 0 0 13 0 13 0 END