COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 C LIG 1 0.990 -0.183 0.740 1.00 0.00 C HETATM 2 H LIG 1 -3.369 -1.286 -2.733 1.00 0.00 H HETATM 3 H LIG 1 -2.307 2.442 -0.512 1.00 0.00 H HETATM 4 C LIG 1 -0.406 3.217 0.197 1.00 0.00 C HETATM 5 H LIG 1 -2.871 -2.921 -2.260 1.00 0.00 H HETATM 6 C LIG 1 -3.599 -1.663 -0.600 1.00 0.00 C HETATM 7 H LIG 1 -3.331 -2.465 0.097 1.00 0.00 H HETATM 8 H LIG 1 -4.688 -1.637 -0.672 1.00 0.00 H HETATM 9 H LIG 1 -1.837 1.830 1.062 1.00 0.00 H HETATM 10 H LIG 1 -0.930 4.163 0.373 1.00 0.00 H HETATM 11 C LIG 1 0.474 0.728 -0.917 1.00 0.00 C HETATM 12 H LIG 1 0.727 -0.102 -1.570 1.00 0.00 H HETATM 13 N LIG 1 -1.735 -0.183 -0.769 1.00 0.00 N HETATM 14 H LIG 1 0.862 0.657 1.439 1.00 0.00 H HETATM 15 C LIG 1 -1.445 2.090 0.073 1.00 0.00 C HETATM 16 C LIG 1 -0.914 0.848 -0.611 1.00 0.00 C HETATM 17 O LIG 1 0.194 -1.211 0.908 1.00 0.00 O HETATM 18 C LIG 1 1.287 1.995 -1.197 1.00 0.00 C HETATM 19 H LIG 1 -3.695 0.510 -0.365 1.00 0.00 H HETATM 20 C LIG 1 -3.041 -0.319 -0.078 1.00 0.00 C HETATM 21 C LIG 1 -1.481 -1.338 -1.668 1.00 0.00 C HETATM 22 C LIG 1 -2.969 -0.320 1.482 1.00 0.00 C HETATM 23 H LIG 1 -0.171 3.427 -1.938 1.00 0.00 H HETATM 24 C LIG 1 2.433 -0.503 0.486 1.00 0.00 C HETATM 25 H LIG 1 1.141 4.152 -1.014 1.00 0.00 H HETATM 26 O LIG 1 -4.037 -0.131 2.049 1.00 0.00 O HETATM 27 O LIG 1 -1.825 -0.543 2.047 1.00 0.00 O HETATM 28 H LIG 1 -0.843 -0.894 1.431 1.00 0.00 H HETATM 29 H LIG 1 -0.961 -0.995 -2.567 1.00 0.00 H HETATM 30 C LIG 1 -2.888 -1.874 -1.942 1.00 0.00 C HETATM 31 H LIG 1 -0.856 -2.072 -1.154 1.00 0.00 H HETATM 32 C LIG 1 0.469 3.287 -1.055 1.00 0.00 C HETATM 33 H LIG 1 1.712 1.929 -2.205 1.00 0.00 H HETATM 34 H LIG 1 2.150 2.038 -0.520 1.00 0.00 H HETATM 35 H LIG 1 0.228 3.045 1.077 1.00 0.00 H HETATM 36 C LIG 1 5.135 -1.131 0.050 1.00 0.00 C HETATM 37 C LIG 1 3.445 0.344 0.953 1.00 0.00 C HETATM 38 C LIG 1 2.790 -1.681 -0.187 1.00 0.00 C HETATM 39 C LIG 1 4.129 -1.990 -0.406 1.00 0.00 C HETATM 40 C LIG 1 4.790 0.034 0.735 1.00 0.00 C HETATM 41 H LIG 1 3.182 1.239 1.512 1.00 0.00 H HETATM 42 H LIG 1 2.006 -2.358 -0.512 1.00 0.00 H HETATM 43 H LIG 1 4.394 -2.908 -0.925 1.00 0.00 H HETATM 44 H LIG 1 5.564 0.698 1.109 1.00 0.00 H HETATM 45 H LIG 1 6.180 -1.375 -0.120 1.00 0.00 H CONECT 1 11 24 17 14 CONECT 1 CONECT 2 30 CONECT 3 15 CONECT 4 32 15 10 35 CONECT 4 CONECT 5 30 CONECT 6 30 8 20 7 CONECT 6 CONECT 7 6 CONECT 8 6 CONECT 9 15 CONECT 10 4 CONECT 11 12 18 16 1 CONECT 11 CONECT 12 11 CONECT 13 21 16 20 CONECT 14 1 CONECT 15 16 3 4 9 CONECT 15 CONECT 16 11 13 15 CONECT 17 1 28 CONECT 18 33 32 11 34 CONECT 18 CONECT 19 20 CONECT 20 13 6 19 22 CONECT 20 CONECT 21 29 30 31 13 CONECT 21 CONECT 22 20 27 26 CONECT 23 32 CONECT 24 38 1 37 CONECT 25 32 CONECT 26 22 CONECT 27 22 CONECT 28 17 CONECT 29 21 CONECT 30 2 5 21 6 CONECT 30 CONECT 31 21 CONECT 32 23 18 25 4 CONECT 32 CONECT 33 18 CONECT 34 18 CONECT 35 4 CONECT 36 39 45 40 CONECT 37 24 40 41 CONECT 38 42 39 24 CONECT 39 43 38 36 CONECT 40 36 37 44 CONECT 41 37 CONECT 42 38 CONECT 43 39 CONECT 44 40 CONECT 45 36 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END