COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 C LIG 1 -0.654 -0.101 -0.002 1.00 0.00 C HETATM 2 O LIG 1 1.329 -1.175 -0.006 1.00 0.00 O HETATM 3 N LIG 1 0.123 -1.283 -0.003 1.00 0.00 N HETATM 4 C LIG 1 -0.007 1.067 -0.006 1.00 0.00 C HETATM 5 C LIG 1 3.811 0.735 0.019 1.00 0.00 C HETATM 6 O LIG 1 4.528 -0.132 -0.005 1.00 0.00 O HETATM 7 C LIG 1 -2.150 -0.238 0.002 1.00 0.00 C HETATM 8 H LIG 1 -2.608 0.199 0.891 1.00 0.00 H HETATM 9 H LIG 1 -2.613 0.198 -0.885 1.00 0.00 H HETATM 10 H LIG 1 -2.357 -1.310 0.004 1.00 0.00 H HETATM 11 O LIG 1 0.596 2.040 -0.009 1.00 0.00 O CONECT 1 4 3 7 CONECT 2 3 CONECT 3 2 1 CONECT 4 11 1 CONECT 5 6 CONECT 6 5 CONECT 7 9 1 10 8 CONECT 7 CONECT 8 7 CONECT 9 7 CONECT 10 7 CONECT 11 4 MASTER 0 0 0 0 0 0 0 0 11 0 11 0 END