COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.565  -0.601   0.288  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.695  -0.071   1.618  1.00  0.00           C  
HETATM    3  C   UNL     1       0.359   0.670   2.397  1.00  0.00           C  
HETATM    4  C   UNL     1       2.462   0.035   1.342  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.214   1.982   2.932  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.907  -0.573   0.048  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.377  -1.765  -0.521  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.671  -1.857  -0.982  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.522  -0.763  -0.880  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.067   0.424  -0.330  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.222   3.879  -0.208  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.714  -1.681   0.538  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.971   4.377   0.510  1.00  0.00           C  
HETATM   14 CL   UNL     1       6.641   2.348  -3.437  1.00  0.00          Cl  
HETATM   15  C   UNL     1       7.927  -0.828  -1.379  1.00  0.00           C  
HETATM   16  C   UNL     1       7.854   0.232  -2.263  1.00  0.00           C  
HETATM   17  C   UNL     1       6.717   1.021  -2.320  1.00  0.00           C  
HETATM   18  C   UNL     1       5.644   0.757  -1.494  1.00  0.00           C  
HETATM   19  C   UNL     1       5.704  -0.312  -0.595  1.00  0.00           C  
HETATM   20  C   UNL     1       6.859  -1.109  -0.541  1.00  0.00           C  
HETATM   21  N   UNL     1       6.932  -2.181   0.354  1.00  0.00           N  
HETATM   22  C   UNL     1       7.354  -3.439   0.096  1.00  0.00           C  
HETATM   23  N   UNL     1       7.264  -4.115   1.211  1.00  0.00           N  
HETATM   24  N   UNL     1       6.814  -3.372   2.156  1.00  0.00           N  
HETATM   25  N   UNL     1       6.587  -2.181   1.717  1.00  0.00           N  
HETATM   26  C   UNL     1       3.599   0.325   0.468  1.00  0.00           C  
HETATM   27  O   UNL     1       2.387  -1.040   1.908  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.751   0.536   0.114  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.561  -1.345   1.184  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.529  -0.585   0.596  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.861   0.382   1.245  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.344   1.812   0.544  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.515   2.891   1.769  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.678   3.486   1.689  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.308   2.378  -0.158  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.842  -0.862  -1.334  1.00  0.00           N  
HETATM   37  C   UNL     1      -8.515  -2.022  -1.204  1.00  0.00           C  
HETATM   38  O   UNL     1      -9.814  -2.089  -1.550  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.949  -3.008  -0.774  1.00  0.00           O  
HETATM   40  C   UNL     1     -10.475  -3.372  -1.383  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.485   1.687  -0.720  1.00  0.00           O  
HETATM   42  C   UNL     1      -2.200   5.809   0.998  1.00  0.00           C  
HETATM   43  N   UNL     1       1.498   0.960   1.522  1.00  0.00           N  
HETATM   44  H   UNL     1       4.498  -1.555   0.790  1.00  0.00           H  
HETATM   45  H   UNL     1       0.692   0.053   3.232  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.132   1.781   3.486  1.00  0.00           H  
HETATM   47  H   UNL     1       0.514   2.458   3.589  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.719  -2.618  -0.599  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.024  -2.778  -1.422  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.736   1.268  -0.245  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.103   4.305   0.271  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.189   4.201  -1.249  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.939  -2.628   0.071  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.126   4.358  -0.178  1.00  0.00           H  
HETATM   55  H   UNL     1       8.816  -1.441  -1.343  1.00  0.00           H  
HETATM   56  H   UNL     1       8.690   0.446  -2.913  1.00  0.00           H  
HETATM   57  H   UNL     1       4.759   1.375  -1.542  1.00  0.00           H  
HETATM   58  H   UNL     1       7.701  -3.815  -0.855  1.00  0.00           H  
HETATM   59  H   UNL     1       3.665   1.279  -0.034  1.00  0.00           H  
HETATM   60  H   UNL     1       0.214  -1.916   1.309  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.769   2.264   1.289  1.00  0.00           H  
HETATM   62  H   UNL     1       0.228   3.052   1.002  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.420   3.342   2.459  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.273  -0.094  -1.742  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.971  -4.122  -1.992  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.436  -3.667  -0.335  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.515  -3.288  -1.698  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.045   5.828   1.685  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.306   6.165   1.511  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.410   6.454   0.145  1.00  0.00           H  
HETATM   71  H   UNL     1       1.557   1.816   1.071  1.00  0.00           H  
CONECT    1   19   26   26   44                                       
CONECT    2   29    3   31   31                                       
CONECT    3    5   43    2   45                                       
CONECT    4   43   26   27   27                                       
CONECT    5   33    3   46   47                                       
CONECT    6   30    7    7   28                                       
CONECT    7    6    6    8   48                                       
CONECT    8    7    9    9   49                                       
CONECT    9    8    8   10   36                                       
CONECT   10   28   28    9   50                                       
CONECT   11   13   35   51   52                                       
CONECT   12   29   30   30   53                                       
CONECT   13   34   42   11   54                                       
CONECT   14   17                                                      
CONECT   15   20   20   16   55                                       
CONECT   16   15   17   17   56                                       
CONECT   17   16   16   18   14                                       
CONECT   18   19   19   17   57                                       
CONECT   19   20    1   18   18                                       
CONECT   20   21   15   15   19                                       
CONECT   21   22   25   20                                            
CONECT   22   23   23   21   58                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   25                                            
CONECT   25   24   24   21                                            
CONECT   26    1    1    4   59                                       
CONECT   27    4    4                                                 
CONECT   28    6   32   10   10                                       
CONECT   29   12    2   60                                            
CONECT   30   12   12   31    6                                       
CONECT   31    2    2   30                                            
CONECT   32   35   28   61                                            
CONECT   33    5   34   34   62                                       
CONECT   34   33   33   13   63                                       
CONECT   35   41   41   11   32                                       
CONECT   36    9   37   64                                            
CONECT   37   39   39   36   38                                       
CONECT   38   37   40                                                 
CONECT   39   37   37                                                 
CONECT   40   38   65   66   67                                       
CONECT   41   35   35                                                 
CONECT   42   13   68   69   70                                       
CONECT   43    3    4   71                                            
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   22                                                      
CONECT   59   26                                                      
CONECT   60   29                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   36                                                      
CONECT   65   40                                                      
CONECT   66   40                                                      
CONECT   67   40                                                      
CONECT   68   42                                                      
CONECT   69   42                                                      
CONECT   70   42                                                      
CONECT   71   43                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
