COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.979   1.725   1.287  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.133   0.264   1.289  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.051   0.282  -1.205  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.051  -0.276  -0.075  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.625  -0.407   0.203  1.00  0.00           N  
HETATM    6  O   UNL     1       3.774  -0.538   1.138  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.690   0.073  -0.680  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.356  -0.561   0.729  1.00  0.00           N  
HETATM    9  O   UNL     1       6.594  -4.230   0.054  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.334  -0.211  -0.130  1.00  0.00           C  
HETATM   11  N   UNL     1       5.740  -2.194  -0.190  1.00  0.00           N  
HETATM   12  O   UNL     1       6.239  -3.544  -2.027  1.00  0.00           O  
HETATM   13  C   UNL     1       1.049  -0.253   0.430  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650   0.512   1.613  1.00  0.00           C  
HETATM   15  C   UNL     1       1.443  -0.296   2.896  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.055  -0.479   3.149  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.675  -1.251   1.987  1.00  0.00           C  
HETATM   18  C   UNL     1       3.147   0.723   1.377  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.162   0.334  -0.932  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.523  -0.118  -0.399  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.664  -1.632  -0.572  1.00  0.00           C  
HETATM   22  O   UNL     1      -8.958  -2.043  -0.127  1.00  0.00           O  
HETATM   23  C   UNL     1     -10.039  -1.456  -0.854  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.994   0.066  -0.693  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.638   0.583  -1.182  1.00  0.00           C  
HETATM   26  C   UNL     1       5.137  -0.600   1.563  1.00  0.00           C  
HETATM   27  C   UNL     1       5.703  -1.988   1.260  1.00  0.00           C  
HETATM   28  C   UNL     1       6.205  -3.355  -0.695  1.00  0.00           C  
HETATM   29  C   UNL     1       3.346   1.618   0.181  1.00  0.00           C  
HETATM   30  C   UNL     1       3.621   2.961   0.361  1.00  0.00           C  
HETATM   31  C   UNL     1       3.805   3.782  -0.737  1.00  0.00           C  
HETATM   32  C   UNL     1       3.713   3.259  -2.015  1.00  0.00           C  
HETATM   33  C   UNL     1       3.438   1.916  -2.193  1.00  0.00           C  
HETATM   34  C   UNL     1       3.260   1.095  -1.095  1.00  0.00           C  
HETATM   35  C   UNL     1       6.752  -4.818  -2.499  1.00  0.00           C  
HETATM   36 CL   UNL     1       4.149   5.468  -0.513  1.00  0.00          Cl  
HETATM   37  H   UNL     1      -4.009   1.987   0.865  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.770   2.173   0.686  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.043   2.099   2.309  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.451  -0.170   1.892  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.168  -1.359  -0.044  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.849  -0.867   1.027  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.595  -0.402  -1.657  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.609   1.154  -0.793  1.00  0.00           H  
HETATM   45  H   UNL     1       5.430  -1.496  -0.787  1.00  0.00           H  
HETATM   46  H   UNL     1       1.602  -1.180   0.276  1.00  0.00           H  
HETATM   47  H   UNL     1       1.105   0.361  -0.469  1.00  0.00           H  
HETATM   48  H   UNL     1       1.156   1.480   1.708  1.00  0.00           H  
HETATM   49  H   UNL     1       1.916  -1.272   2.790  1.00  0.00           H  
HETATM   50  H   UNL     1       1.892   0.235   3.736  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.201  -1.035   4.076  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.532   0.498   3.231  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.757  -1.295   2.115  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.266  -2.261   1.963  1.00  0.00           H  
HETATM   55  H   UNL     1       3.591   1.189   2.257  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.098   1.421  -0.891  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.048   0.002  -1.964  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.604   0.137   0.658  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.542  -1.891  -1.624  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.899  -2.138   0.018  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.948  -1.712  -1.910  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.985  -1.835  -0.468  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.791   0.518  -1.283  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.125   0.324   0.358  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.578   1.659  -1.018  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.528   0.368  -2.245  1.00  0.00           H  
HETATM   67  H   UNL     1       5.718   0.154   1.032  1.00  0.00           H  
HETATM   68  H   UNL     1       5.192  -0.412   2.635  1.00  0.00           H  
HETATM   69  H   UNL     1       5.070  -2.748   1.719  1.00  0.00           H  
HETATM   70  H   UNL     1       6.713  -2.065   1.663  1.00  0.00           H  
HETATM   71  H   UNL     1       3.692   3.368   1.358  1.00  0.00           H  
HETATM   72  H   UNL     1       3.856   3.899  -2.872  1.00  0.00           H  
HETATM   73  H   UNL     1       3.366   1.507  -3.190  1.00  0.00           H  
HETATM   74  H   UNL     1       3.050   0.045  -1.235  1.00  0.00           H  
HETATM   75  H   UNL     1       6.724  -4.839  -3.589  1.00  0.00           H  
HETATM   76  H   UNL     1       7.780  -4.943  -2.159  1.00  0.00           H  
HETATM   77  H   UNL     1       6.137  -5.626  -2.104  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    4   40                                            
CONECT    3   10   10                                                 
CONECT    4    2    7   19   41                                       
CONECT    5    7   10   42                                            
CONECT    6   18   26                                                 
CONECT    7    4    5   43   44                                       
CONECT    8   10   13   17                                            
CONECT    9   28   28                                                 
CONECT   10    3    3    5    8                                       
CONECT   11   27   28   45                                            
CONECT   12   28   35                                                 
CONECT   13    8   14   46   47                                       
CONECT   14   13   15   18   48                                       
CONECT   15   14   16   49   50                                       
CONECT   16   15   17   51   52                                       
CONECT   17    8   16   53   54                                       
CONECT   18    6   14   29   55                                       
CONECT   19    4   20   56   57                                       
CONECT   20   19   21   25   58                                       
CONECT   21   20   22   59   60                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   61   62                                       
CONECT   24   23   25   63   64                                       
CONECT   25   20   24   65   66                                       
CONECT   26    6   27   67   68                                       
CONECT   27   11   26   69   70                                       
CONECT   28    9    9   11   12                                       
CONECT   29   18   30   30   34                                       
CONECT   30   29   29   31   71                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   72                                       
CONECT   33   32   34   34   73                                       
CONECT   34   29   33   33   74                                       
CONECT   35   12   75   76   77                                       
CONECT   36   31                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
