COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 C LIG 1 -1.131 -0.516 -0.387 1.00 0.00 C HETATM 2 O LIG 1 -0.285 -0.616 -1.261 1.00 0.00 O HETATM 3 H LIG 1 1.368 0.278 0.925 1.00 0.00 H HETATM 4 O HOH 2 2.185 -1.016 -0.081 1.00 0.00 O HETATM 5 H HOH 0 2.348 -1.863 0.338 1.00 0.00 H HETATM 6 H HOH 0 1.413 -1.152 -0.655 1.00 0.00 H HETATM 7 C LIG 1 -2.161 0.575 -0.429 1.00 0.00 C HETATM 8 H LIG 1 -3.145 0.206 -0.132 1.00 0.00 H HETATM 9 H LIG 1 -1.854 1.332 0.300 1.00 0.00 H HETATM 10 H LIG 1 -2.200 1.027 -1.420 1.00 0.00 H HETATM 11 C LIG 1 -1.185 -1.461 0.779 1.00 0.00 C HETATM 12 H LIG 1 -0.268 -2.042 0.849 1.00 0.00 H HETATM 13 H LIG 1 -1.353 -0.908 1.705 1.00 0.00 H HETATM 14 H LIG 1 -2.034 -2.138 0.638 1.00 0.00 H HETATM 15 O LIG 1 0.821 1.048 1.167 1.00 0.00 O HETATM 16 N LIG 1 0.951 1.981 0.101 1.00 0.00 N HETATM 17 H LIG 1 1.941 2.201 0.020 1.00 0.00 H HETATM 18 H LIG 1 0.705 1.483 -0.755 1.00 0.00 H CONECT 1 2 7 11 CONECT 2 1 CONECT 3 15 CONECT 4 6 5 CONECT 5 4 CONECT 6 4 CONECT 7 10 1 8 9 CONECT 7 CONECT 8 7 CONECT 9 7 CONECT 10 7 CONECT 11 1 14 12 13 CONECT 11 CONECT 12 11 CONECT 13 11 CONECT 14 11 CONECT 15 16 3 CONECT 16 18 17 15 CONECT 17 16 CONECT 18 16 MASTER 0 0 0 0 0 0 0 0 18 0 18 0 END