COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.785   0.482  -0.257  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.235   1.747  -0.476  1.00  0.00           C  
HETATM    3  C   UNL     1       1.127   1.885  -0.583  1.00  0.00           C  
HETATM    4  N   UNL     1       1.887   0.801  -0.474  1.00  0.00           N  
HETATM    5  N   UNL     1       0.034  -0.557  -0.156  1.00  0.00           N  
HETATM    6  C   UNL     1       1.345  -0.389  -0.265  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.608  -6.003  -0.312  1.00  0.00           C  
HETATM    8  C   UNL     1       6.639  -3.137  -1.395  1.00  0.00           C  
HETATM    9  C   UNL     1      11.601   0.638   0.588  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.420   5.703  -0.725  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.030   5.022  -1.864  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.881   5.368   0.503  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.100   4.004  -1.778  1.00  0.00           C  
HETATM   14  C   UNL     1       4.126  -0.216   0.469  1.00  0.00           C  
HETATM   15  C   UNL     1       5.497  -0.052   0.480  1.00  0.00           C  
HETATM   16  C   UNL     1       4.381  -2.274  -0.750  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.269  -5.864   0.414  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.211  -2.777  -0.828  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.043  -2.420   1.639  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.643  -1.378  -1.070  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.474  -1.020   1.397  1.00  0.00           C  
HETATM   22  C   UNL     1       9.759  -0.803   1.216  1.00  0.00           C  
HETATM   23  C   UNL     1       9.614   0.540  -0.792  1.00  0.00           C  
HETATM   24  C   UNL     1       8.233  -0.909   1.256  1.00  0.00           C  
HETATM   25  C   UNL     1       8.087   0.434  -0.753  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.175   2.923  -0.589  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.709  -4.485   0.177  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.009   1.365  -0.245  1.00  0.00           C  
HETATM   29  C   UNL     1       5.752  -2.110  -0.739  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.950   4.351   0.597  1.00  0.00           C  
HETATM   31  C   UNL     1       3.564  -1.327  -0.146  1.00  0.00           C  
HETATM   32  C   UNL     1       6.314  -0.999  -0.124  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.556   3.665  -0.546  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.984  -2.793   0.492  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.701  -1.005   0.077  1.00  0.00           C  
HETATM   36  N   UNL     1       2.173  -1.493  -0.156  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.528  -4.134   0.723  1.00  0.00           N  
HETATM   38  N   UNL     1      10.143   0.463   0.577  1.00  0.00           N  
HETATM   39  N   UNL     1       7.704  -0.832  -0.113  1.00  0.00           N  
HETATM   40  N   UNL     1      -2.614   2.634  -0.455  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.157   0.336  -0.154  1.00  0.00           N  
HETATM   42  O   UNL     1      -7.321  -3.691  -0.507  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.200   1.140  -0.142  1.00  0.00           O  
HETATM   44 CL   UNL     1      -3.273   3.931   2.139  1.00  0.00          Cl  
HETATM   45  H   UNL     1       1.571   2.855  -0.754  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.307  -5.256   0.068  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.460  -5.850  -1.381  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.014  -7.000  -0.140  1.00  0.00           H  
HETATM   49  H   UNL     1       6.875  -2.818  -2.410  1.00  0.00           H  
HETATM   50  H   UNL     1       7.561  -3.239  -0.823  1.00  0.00           H  
HETATM   51  H   UNL     1       6.122  -4.096  -1.426  1.00  0.00           H  
HETATM   52  H   UNL     1      12.070  -0.184   0.046  1.00  0.00           H  
HETATM   53  H   UNL     1      11.858   1.583   0.109  1.00  0.00           H  
HETATM   54  H   UNL     1      11.959   0.644   1.618  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.144   6.501  -0.796  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.453   5.286  -2.822  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.188   5.902   1.391  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.796   3.473  -2.667  1.00  0.00           H  
HETATM   59  H   UNL     1       3.490   0.518   0.942  1.00  0.00           H  
HETATM   60  H   UNL     1       5.934   0.812   0.958  1.00  0.00           H  
HETATM   61  H   UNL     1       3.945  -3.138  -1.228  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.418  -6.016   1.483  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.571  -6.610   0.035  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.882  -3.043  -1.645  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.395  -3.498  -0.780  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.226  -3.141   1.687  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.593  -2.432   2.579  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.092  -1.366  -2.010  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.459  -0.657  -1.118  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.291  -0.300   1.349  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.803  -0.755   2.214  1.00  0.00           H  
HETATM   72  H   UNL     1      10.152  -0.831   2.233  1.00  0.00           H  
HETATM   73  H   UNL     1      10.168  -1.637   0.646  1.00  0.00           H  
HETATM   74  H   UNL     1      10.020  -0.278  -1.386  1.00  0.00           H  
HETATM   75  H   UNL     1       9.901   1.492  -1.240  1.00  0.00           H  
HETATM   76  H   UNL     1       7.946  -1.861   1.703  1.00  0.00           H  
HETATM   77  H   UNL     1       7.826  -0.090   1.849  1.00  0.00           H  
HETATM   78  H   UNL     1       7.679   1.268  -0.182  1.00  0.00           H  
HETATM   79  H   UNL     1       7.695   0.462  -1.769  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.903   3.646   0.180  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.014   3.391  -1.560  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.801  -2.073   0.444  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.885  -1.725   0.126  1.00  0.00           H  
HETATM   84  H   UNL     1       1.791  -2.382  -0.088  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.039  -4.768   1.269  1.00  0.00           H  
CONECT    1    2   41    5    5                                       
CONECT    2   26    3    3    1                                       
CONECT    3    2    2    4   45                                       
CONECT    4    3    6    6                                            
CONECT    5    1    1    6                                            
CONECT    6    4    4    5   36                                       
CONECT    7   17   46   47   48                                       
CONECT    8   29   49   50   51                                       
CONECT    9   38   52   53   54                                       
CONECT   10   12   12   11   55                                       
CONECT   11   10   13   13   56                                       
CONECT   12   10   10   30   57                                       
CONECT   13   11   11   33   58                                       
CONECT   14   31   31   15   59                                       
CONECT   15   14   32   32   60                                       
CONECT   16   31   29   29   61                                       
CONECT   17    7   27   62   63                                       
CONECT   18   20   34   64   65                                       
CONECT   19   21   34   66   67                                       
CONECT   20   35   18   68   69                                       
CONECT   21   35   19   70   71                                       
CONECT   22   24   38   72   73                                       
CONECT   23   25   38   74   75                                       
CONECT   24   39   22   76   77                                       
CONECT   25   39   23   78   79                                       
CONECT   26   40    2   80   81                                       
CONECT   27   17   42   42   37                                       
CONECT   28   40   43   43   41                                       
CONECT   29   16   16   32    8                                       
CONECT   30   12   44   33   33                                       
CONECT   31   36   14   14   16                                       
CONECT   32   15   15   29   39                                       
CONECT   33   30   30   13   40                                       
CONECT   34   19   37   18   82                                       
CONECT   35   41   21   20   83                                       
CONECT   36    6   31   84                                            
CONECT   37   27   34   85                                            
CONECT   38   22   23    9                                            
CONECT   39   32   24   25                                            
CONECT   40   33   26   28                                            
CONECT   41   28    1   35                                            
CONECT   42   27   27                                                 
CONECT   43   28   28                                                 
CONECT   44   30                                                      
CONECT   45    3                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
