COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 C LIG 1 -3.800 -0.007 0.187 1.00 0.00 C HETATM 2 O LIG 1 -3.263 0.650 1.055 1.00 0.00 O HETATM 3 C LIG 1 -5.293 0.033 -0.017 1.00 0.00 C HETATM 4 H LIG 1 -5.525 0.217 -1.069 1.00 0.00 H HETATM 5 H LIG 1 -5.713 -0.946 0.235 1.00 0.00 H HETATM 6 H LIG 1 -5.745 0.799 0.611 1.00 0.00 H HETATM 7 O LIG 2 0.058 -1.683 0.391 1.00 0.00 O HETATM 8 C LIG 2 1.730 -0.886 -0.387 1.00 0.00 C HETATM 9 H LIG 2 1.764 -1.617 -1.183 1.00 0.00 H HETATM 10 BR LIG 2 3.374 -0.520 0.383 1.00 0.00 Br HETATM 11 C LIG 2 0.482 -0.471 0.134 1.00 0.00 C HETATM 12 C LIG 2 -0.049 0.761 0.310 1.00 0.00 C HETATM 13 H LIG 2 -1.046 0.889 0.726 1.00 0.00 H HETATM 14 C LIG 1 -3.011 -0.882 -0.754 1.00 0.00 C HETATM 15 H LIG 1 -3.609 -1.720 -1.118 1.00 0.00 H HETATM 16 H LIG 1 -2.735 -0.275 -1.623 1.00 0.00 H HETATM 17 H LIG 1 -2.096 -1.246 -0.281 1.00 0.00 H HETATM 18 O LIG 2 0.656 1.854 -0.036 1.00 0.00 O HETATM 19 C LIG 2 0.211 3.062 0.573 1.00 0.00 C HETATM 20 H LIG 2 -0.853 3.222 0.376 1.00 0.00 H HETATM 21 H LIG 2 0.386 3.038 1.652 1.00 0.00 H HETATM 22 H LIG 2 0.791 3.867 0.125 1.00 0.00 H CONECT 1 14 3 2 CONECT 2 1 CONECT 3 4 1 5 6 CONECT 3 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 11 CONECT 8 9 11 10 CONECT 9 8 CONECT 10 8 CONECT 11 8 12 7 CONECT 12 18 11 13 CONECT 13 12 CONECT 14 16 15 17 1 CONECT 14 CONECT 15 14 CONECT 16 14 CONECT 17 14 CONECT 18 12 19 CONECT 19 18 22 20 21 CONECT 19 CONECT 20 19 CONECT 21 19 CONECT 22 19 MASTER 0 0 0 0 0 0 0 0 22 0 22 0 END