COMPND asp.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 HETATM 1 N LIG 1 -0.959 1.313 0.839 1.00 0.00 N HETATM 2 C LIG 1 0.039 0.256 0.936 1.00 0.00 C HETATM 3 C LIG 1 1.211 0.331 -0.055 1.00 0.00 C HETATM 4 O LIG 1 2.345 -0.016 0.187 1.00 0.00 O HETATM 5 O LIG 1 0.831 0.818 -1.264 1.00 0.00 O HETATM 6 C LIG 1 -0.625 -1.144 0.834 1.00 0.00 C HETATM 7 C LIG 1 -1.108 -1.500 -0.557 1.00 0.00 C HETATM 8 O LIG 1 -0.607 -2.325 -1.286 1.00 0.00 O HETATM 9 O LIG 1 -2.191 -0.766 -0.929 1.00 0.00 O HETATM 10 H LIG 1 -0.509 2.221 0.919 1.00 0.00 H HETATM 11 H LIG 1 -1.409 1.280 -0.071 1.00 0.00 H HETATM 12 H LIG 1 0.505 0.305 1.924 1.00 0.00 H HETATM 13 H LIG 1 -1.474 -1.146 1.525 1.00 0.00 H HETATM 14 H LIG 1 0.092 -1.912 1.129 1.00 0.00 H HETATM 15 H LIG 1 -2.398 -1.040 -1.839 1.00 0.00 H HETATM 16 H LIG 1 1.620 0.775 -1.831 1.00 0.00 H CONECT 1 11 10 2 CONECT 2 3 6 1 12 CONECT 3 5 4 2 CONECT 4 3 CONECT 5 16 3 CONECT 6 7 2 14 13 CONECT 7 8 9 6 CONECT 8 7 CONECT 9 15 7 CONECT 10 1 CONECT 11 1 CONECT 12 2 CONECT 13 6 CONECT 14 6 CONECT 15 9 CONECT 16 5 MASTER 0 0 0 0 0 0 0 0 16 0 16 0 END