COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.933   3.322   1.602  1.00  0.00           C  
HETATM    2  C   UNL     1       6.453   3.135   1.556  1.00  0.00           C  
HETATM    3  C   UNL     1       6.774   1.716   2.026  1.00  0.00           C  
HETATM    4  C   UNL     1       6.963   3.337   0.162  1.00  0.00           C  
HETATM    5  C   UNL     1       6.217   3.327  -0.897  1.00  0.00           C  
HETATM    6  C   UNL     1       6.877   3.541  -2.235  1.00  0.00           C  
HETATM    7  C   UNL     1       4.731   3.116  -0.865  1.00  0.00           C  
HETATM    8  C   UNL     1       4.328   2.487   0.471  1.00  0.00           C  
HETATM    9  C   UNL     1       4.840   1.072   0.526  1.00  0.00           C  
HETATM   10  C   UNL     1       5.970   0.710   1.238  1.00  0.00           C  
HETATM   11  N   UNL     1       6.391  -0.543   1.257  1.00  0.00           N  
HETATM   12  C   UNL     1       5.764  -1.521   0.602  1.00  0.00           C  
HETATM   13  C   UNL     1       6.237  -2.843   0.639  1.00  0.00           C  
HETATM   14  C   UNL     1       5.571  -3.819  -0.041  1.00  0.00           C  
HETATM   15 CL   UNL     1       6.162  -5.451   0.010  1.00  0.00          Cl  
HETATM   16  C   UNL     1       4.424  -3.527  -0.777  1.00  0.00           C  
HETATM   17  C   UNL     1       3.938  -2.256  -0.835  1.00  0.00           C  
HETATM   18  C   UNL     1       4.598  -1.229  -0.147  1.00  0.00           C  
HETATM   19  C   UNL     1       4.133   0.104  -0.181  1.00  0.00           C  
HETATM   20  N   UNL     1       2.997   0.441  -0.902  1.00  0.00           N  
HETATM   21  C   UNL     1       1.787   0.270  -0.087  1.00  0.00           C  
HETATM   22  C   UNL     1       0.550   0.524  -0.952  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.711   0.347  -0.103  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.947   0.601  -0.967  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.208   0.423  -0.119  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.426   0.674  -0.970  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.298   0.965  -2.141  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.657   0.573  -0.431  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.841   0.817  -1.259  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.083   0.642  -0.423  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.682  -0.601  -0.329  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.617   1.723   0.252  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.756   1.567   1.021  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.364   0.326   1.115  1.00  0.00           C  
HETATM   35  O   UNL     1     -11.485   0.171   1.870  1.00  0.00           O  
HETATM   36  C   UNL     1      -9.823  -0.764   0.439  1.00  0.00           C  
HETATM   37  O   UNL     1     -10.413  -1.985   0.532  1.00  0.00           O  
HETATM   38  C   UNL     1      -9.803  -3.057  -0.189  1.00  0.00           C  
HETATM   39  H   UNL     1       4.547   2.980   2.562  1.00  0.00           H  
HETATM   40  H   UNL     1       4.685   4.374   1.458  1.00  0.00           H  
HETATM   41  H   UNL     1       6.928   3.854   2.224  1.00  0.00           H  
HETATM   42  H   UNL     1       7.836   1.520   1.884  1.00  0.00           H  
HETATM   43  H   UNL     1       6.530   1.622   3.085  1.00  0.00           H  
HETATM   44  H   UNL     1       8.023   3.501   0.031  1.00  0.00           H  
HETATM   45  H   UNL     1       7.949   3.678  -2.093  1.00  0.00           H  
HETATM   46  H   UNL     1       6.703   2.671  -2.868  1.00  0.00           H  
HETATM   47  H   UNL     1       6.457   4.427  -2.710  1.00  0.00           H  
HETATM   48  H   UNL     1       4.225   4.074  -0.980  1.00  0.00           H  
HETATM   49  H   UNL     1       4.441   2.453  -1.681  1.00  0.00           H  
HETATM   50  H   UNL     1       3.242   2.486   0.560  1.00  0.00           H  
HETATM   51  H   UNL     1       7.125  -3.086   1.204  1.00  0.00           H  
HETATM   52  H   UNL     1       3.915  -4.318  -1.308  1.00  0.00           H  
HETATM   53  H   UNL     1       3.047  -2.041  -1.408  1.00  0.00           H  
HETATM   54  H   UNL     1       3.062   1.382  -1.260  1.00  0.00           H  
HETATM   55  H   UNL     1       1.753  -0.746   0.305  1.00  0.00           H  
HETATM   56  H   UNL     1       1.803   0.979   0.741  1.00  0.00           H  
HETATM   57  H   UNL     1       0.584   1.541  -1.344  1.00  0.00           H  
HETATM   58  H   UNL     1       0.534  -0.184  -1.780  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.744  -0.670   0.289  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.694   1.056   0.725  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.913   1.617  -1.360  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.964  -0.108  -1.795  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.241  -0.593   0.273  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.191   1.132   0.709  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.759   0.340   0.505  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.807   1.833  -1.651  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.857   0.108  -2.087  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.260  -1.445  -0.855  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.144   2.691   0.180  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.172   2.413   1.548  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.309   0.318   1.386  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.782  -3.198   0.164  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.372  -3.973  -0.030  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.790  -2.819  -1.253  1.00  0.00           H  
CONECT    1    2    8   39   40                                       
CONECT    2    4    3    1   41                                       
CONECT    3   10    2   42   43                                       
CONECT    4    5    5    2   44                                       
CONECT    5    6    4    4    7                                       
CONECT    6    5   45   46   47                                       
CONECT    7    5    8   48   49                                       
CONECT    8    9    7    1   50                                       
CONECT    9   10   10   19    8                                       
CONECT   10   11    3    9    9                                       
CONECT   11   12   12   10                                            
CONECT   12   13   11   11   18                                       
CONECT   13   14   14   12   51                                       
CONECT   14   15   13   13   16                                       
CONECT   15   14                                                      
CONECT   16   14   17   17   52                                       
CONECT   17   16   16   18   53                                       
CONECT   18   12   17   19   19                                       
CONECT   19   18   18    9   20                                       
CONECT   20   19   21   54                                            
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   24   22   59   60                                       
CONECT   24   25   23   61   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   28   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   65                                            
CONECT   29   30   28   66   67                                       
CONECT   30   31   29   32   32                                       
CONECT   31   36   36   30   68                                       
CONECT   32   30   30   33   69                                       
CONECT   33   34   34   32   70                                       
CONECT   34   36   35   33   33                                       
CONECT   35   34   71                                                 
CONECT   36   37   31   31   34                                       
CONECT   37   36   38                                                 
CONECT   38   37   72   73   74                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
