COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.437   5.017  -0.004  1.00  0.00           C  
HETATM    2  C   UNL     1       2.696   3.542   0.158  1.00  0.00           C  
HETATM    3  C   UNL     1       1.704   2.478   0.048  1.00  0.00           C  
HETATM    4  C   UNL     1       0.334   2.435  -0.212  1.00  0.00           C  
HETATM    5  C   UNL     1       2.398   1.268   0.273  1.00  0.00           C  
HETATM    6  C   UNL     1       1.681   0.076   0.225  1.00  0.00           C  
HETATM    7  C   UNL     1       0.322   0.126  -0.040  1.00  0.00           C  
HETATM    8 CL   UNL     1       5.190  -2.780   2.695  1.00  0.00          Cl  
HETATM    9  C   UNL     1       5.507  -1.347   1.768  1.00  0.00           C  
HETATM   10  C   UNL     1       4.485  -0.454   1.507  1.00  0.00           C  
HETATM   11  C   UNL     1       6.784  -1.097   1.296  1.00  0.00           C  
HETATM   12  C   UNL     1       7.039   0.043   0.558  1.00  0.00           C  
HETATM   13  C   UNL     1       8.431   0.312   0.045  1.00  0.00           C  
HETATM   14  C   UNL     1       8.593  -0.314  -1.342  1.00  0.00           C  
HETATM   15  C   UNL     1       9.984  -0.045  -1.855  1.00  0.00           C  
HETATM   16  O   UNL     1      10.769   0.584  -1.178  1.00  0.00           O  
HETATM   17  N   UNL     1      10.357  -0.505  -3.066  1.00  0.00           N  
HETATM   18  C   UNL     1       6.021   0.937   0.289  1.00  0.00           C  
HETATM   19  C   UNL     1       4.740   0.692   0.765  1.00  0.00           C  
HETATM   20  N   UNL     1       3.707   1.599   0.499  1.00  0.00           N  
HETATM   21  N   UNL     1       3.848   2.988   0.415  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.299   1.283  -0.245  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.407  -1.059  -0.090  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.793  -1.019  -0.224  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.500   0.101   0.202  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.870   0.145   0.072  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.471  -2.100  -0.790  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.778  -3.192  -1.210  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.535  -4.262  -1.780  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.844  -2.061  -0.923  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.554  -0.937  -0.489  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.022  -0.891  -0.628  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.616  -1.833  -1.116  1.00  0.00           O  
HETATM   34  N   UNL     1      -6.704   0.195  -0.214  1.00  0.00           N  
HETATM   35  C   UNL     1      -8.162   0.240  -0.352  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.624   1.699  -0.419  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.152   1.741  -0.502  1.00  0.00           C  
HETATM   38  N   UNL     1     -10.726   1.081   0.678  1.00  0.00           N  
HETATM   39  C   UNL     1     -12.188   1.223   0.701  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.334  -0.333   0.737  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.812  -0.438   0.857  1.00  0.00           C  
HETATM   42  H   UNL     1       2.181   5.449   0.964  1.00  0.00           H  
HETATM   43  H   UNL     1       3.332   5.503  -0.394  1.00  0.00           H  
HETATM   44  H   UNL     1       1.610   5.167  -0.698  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.209   3.353  -0.385  1.00  0.00           H  
HETATM   46  H   UNL     1       2.174  -0.870   0.391  1.00  0.00           H  
HETATM   47  H   UNL     1       3.490  -0.647   1.879  1.00  0.00           H  
HETATM   48  H   UNL     1       7.582  -1.794   1.505  1.00  0.00           H  
HETATM   49  H   UNL     1       8.592   1.388  -0.021  1.00  0.00           H  
HETATM   50  H   UNL     1       9.160  -0.124   0.728  1.00  0.00           H  
HETATM   51  H   UNL     1       8.431  -1.390  -1.276  1.00  0.00           H  
HETATM   52  H   UNL     1       7.864   0.122  -2.025  1.00  0.00           H  
HETATM   53  H   UNL     1       9.729  -1.009  -3.607  1.00  0.00           H  
HETATM   54  H   UNL     1      11.252  -0.332  -3.396  1.00  0.00           H  
HETATM   55  H   UNL     1       6.221   1.827  -0.289  1.00  0.00           H  
HETATM   56  H   UNL     1       0.050  -1.913  -0.033  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.972   0.938   0.636  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.416   1.015   0.404  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.249  -4.633  -1.045  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.072  -3.900  -2.657  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.863  -5.068  -2.072  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.370  -2.897  -1.361  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.230   0.946   0.176  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.458  -0.278  -1.264  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.293   2.227   0.476  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.198   2.175  -1.302  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.485   2.779  -0.535  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.481   1.225  -1.403  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.612   0.770  -0.194  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.587   0.725   1.585  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.449   2.281   0.732  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.800  -0.803   1.604  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.663  -0.840  -0.170  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.521  -1.488   0.886  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.484   0.056   1.771  1.00  0.00           H  
CONECT    1   42   43   44    2                                       
CONECT    2    1    3   21   21                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   22   22   45                                       
CONECT    5    3    3    6   20                                       
CONECT    6    5    7    7   46                                       
CONECT    7    6    6   22   23                                       
CONECT    8    9                                                      
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   19   47                                       
CONECT   11   12   12    9   48                                       
CONECT   12   11   11   18   13                                       
CONECT   13   12   49   50   14                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   53   54                                            
CONECT   18   12   19   19   55                                       
CONECT   19   10   18   18   20                                       
CONECT   20   19    5   21                                            
CONECT   21   20    2    2                                            
CONECT   22    4    4    7                                            
CONECT   23    7   24   56                                            
CONECT   24   23   27   27   25                                       
CONECT   25   26   26   24   57                                       
CONECT   26   25   25   31   58                                       
CONECT   27   24   24   30   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   59   60   61                                       
CONECT   30   27   62   31   31                                       
CONECT   31   26   32   30   30                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   63                                            
CONECT   35   34   36   64   41                                       
CONECT   36   35   37   65   66                                       
CONECT   37   36   67   68   38                                       
CONECT   38   39   37   40                                            
CONECT   39   38   69   70   71                                       
CONECT   40   38   72   73   41                                       
CONECT   41   40   35   74   75                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
