COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 C LIG 1 5.394 -1.228 0.007 1.00 0.00 C HETATM 2 C LIG 1 4.050 -1.217 0.729 1.00 0.00 C HETATM 3 C LIG 1 2.876 -1.538 -0.192 1.00 0.00 C HETATM 4 C LIG 1 1.522 -1.539 0.512 1.00 0.00 C HETATM 5 C LIG 1 0.366 -1.885 -0.422 1.00 0.00 C HETATM 6 C LIG 1 -0.999 -1.885 0.261 1.00 0.00 C HETATM 7 C LIG 1 -2.133 -2.246 -0.698 1.00 0.00 C HETATM 8 C LIG 1 -3.535 -2.218 -0.077 1.00 0.00 C HETATM 9 C LIG 1 -3.949 -0.864 0.507 1.00 0.00 C HETATM 10 C LIG 1 -4.060 0.260 -0.530 1.00 0.00 C HETATM 11 C LIG 1 -3.941 1.667 0.064 1.00 0.00 C HETATM 12 C LIG 1 -2.580 1.977 0.698 1.00 0.00 C HETATM 13 C LIG 1 -1.391 1.884 -0.258 1.00 0.00 C HETATM 14 C LIG 1 -0.057 2.134 0.442 1.00 0.00 C HETATM 15 C LIG 1 1.149 2.050 -0.488 1.00 0.00 C HETATM 16 C LIG 1 2.474 2.297 0.229 1.00 0.00 C HETATM 17 C LIG 1 3.683 2.229 -0.698 1.00 0.00 C HETATM 18 H LIG 1 4.617 2.386 -0.153 1.00 0.00 H HETATM 19 H LIG 1 -4.911 -0.972 1.020 1.00 0.00 H HETATM 20 H LIG 1 -3.232 -0.586 1.285 1.00 0.00 H HETATM 21 H LIG 1 -5.018 0.169 -1.053 1.00 0.00 H HETATM 22 H LIG 1 -3.293 0.139 -1.300 1.00 0.00 H HETATM 23 H LIG 1 -4.264 -2.523 -0.838 1.00 0.00 H HETATM 24 H LIG 1 -3.584 -2.974 0.715 1.00 0.00 H HETATM 25 H LIG 1 -4.722 1.808 0.820 1.00 0.00 H HETATM 26 H LIG 1 -4.138 2.403 -0.724 1.00 0.00 H HETATM 27 H LIG 1 -2.402 1.307 1.548 1.00 0.00 H HETATM 28 H LIG 1 -2.613 2.987 1.123 1.00 0.00 H HETATM 29 H LIG 1 -2.093 -1.571 -1.562 1.00 0.00 H HETATM 30 H LIG 1 -1.950 -3.249 -1.101 1.00 0.00 H HETATM 31 H LIG 1 -1.522 2.605 -1.075 1.00 0.00 H HETATM 32 H LIG 1 -1.357 0.893 -0.726 1.00 0.00 H HETATM 33 H LIG 1 -0.993 -2.592 1.102 1.00 0.00 H HETATM 34 H LIG 1 -1.170 -0.894 0.697 1.00 0.00 H HETATM 35 H LIG 1 0.062 1.402 1.252 1.00 0.00 H HETATM 36 H LIG 1 -0.076 3.120 0.923 1.00 0.00 H HETATM 37 H LIG 1 0.347 -1.167 -1.253 1.00 0.00 H HETATM 38 H LIG 1 0.547 -2.868 -0.875 1.00 0.00 H HETATM 39 H LIG 1 1.035 2.777 -1.302 1.00 0.00 H HETATM 40 H LIG 1 1.175 1.060 -0.962 1.00 0.00 H HETATM 41 H LIG 1 1.544 -2.255 1.343 1.00 0.00 H HETATM 42 H LIG 1 1.345 -0.553 0.960 1.00 0.00 H HETATM 43 H LIG 1 2.584 1.562 1.034 1.00 0.00 H HETATM 44 H LIG 1 2.440 3.279 0.717 1.00 0.00 H HETATM 45 H LIG 1 2.851 -0.812 -1.016 1.00 0.00 H HETATM 46 H LIG 1 3.041 -2.518 -0.658 1.00 0.00 H HETATM 47 H LIG 1 3.746 1.253 -1.188 1.00 0.00 H HETATM 48 H LIG 1 3.619 2.990 -1.482 1.00 0.00 H HETATM 49 H LIG 1 4.069 -1.941 1.552 1.00 0.00 H HETATM 50 H LIG 1 3.891 -0.235 1.190 1.00 0.00 H HETATM 51 H LIG 1 6.216 -1.003 0.691 1.00 0.00 H HETATM 52 H LIG 1 5.589 -2.206 -0.443 1.00 0.00 H HETATM 53 H LIG 1 5.414 -0.483 -0.794 1.00 0.00 H CONECT 1 53 52 51 2 CONECT 1 CONECT 2 3 1 50 49 CONECT 2 CONECT 3 45 46 4 2 CONECT 3 CONECT 4 5 3 42 41 CONECT 4 CONECT 5 37 38 6 4 CONECT 5 CONECT 6 7 5 34 33 CONECT 6 CONECT 7 29 30 8 6 CONECT 7 CONECT 8 23 7 9 24 CONECT 8 CONECT 9 10 8 19 20 CONECT 9 CONECT 10 22 21 11 9 CONECT 10 CONECT 11 26 10 12 25 CONECT 11 CONECT 12 13 11 28 27 CONECT 12 CONECT 13 31 32 14 12 CONECT 13 CONECT 14 15 13 36 35 CONECT 14 CONECT 15 39 40 16 14 CONECT 15 CONECT 16 17 15 44 43 CONECT 16 CONECT 17 48 47 18 16 CONECT 17 CONECT 18 17 CONECT 19 9 CONECT 20 9 CONECT 21 10 CONECT 22 10 CONECT 23 8 CONECT 24 8 CONECT 25 11 CONECT 26 11 CONECT 27 12 CONECT 28 12 CONECT 29 7 CONECT 30 7 CONECT 31 13 CONECT 32 13 CONECT 33 6 CONECT 34 6 CONECT 35 14 CONECT 36 14 CONECT 37 5 CONECT 38 5 CONECT 39 15 CONECT 40 15 CONECT 41 4 CONECT 42 4 CONECT 43 16 CONECT 44 16 CONECT 45 3 CONECT 46 3 CONECT 47 17 CONECT 48 17 CONECT 49 2 CONECT 50 2 CONECT 51 1 CONECT 52 1 CONECT 53 1 MASTER 0 0 0 0 0 0 0 0 53 0 53 0 END