COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.689  -0.849  -1.311  1.00  0.00           C  
HETATM    2  C   UNL     1      11.311  -0.519  -1.826  1.00  0.00           C  
HETATM    3  C   UNL     1       8.922  -0.185  -1.482  1.00  0.00           C  
HETATM    4  C   UNL     1       7.920  -0.238  -0.327  1.00  0.00           C  
HETATM    5  C   UNL     1       6.544   0.217  -0.822  1.00  0.00           C  
HETATM    6  C   UNL     1       5.529   0.086   0.316  1.00  0.00           C  
HETATM    7  C   UNL     1       6.753  -1.735   1.295  1.00  0.00           C  
HETATM    8  C   UNL     1       7.815  -1.674   0.195  1.00  0.00           C  
HETATM    9  C   UNL     1       4.425  -1.447   1.791  1.00  0.00           C  
HETATM   10  C   UNL     1       3.075  -1.133   1.202  1.00  0.00           C  
HETATM   11  C   UNL     1       2.299  -2.132   0.637  1.00  0.00           C  
HETATM   12  C   UNL     1       1.058  -1.810   0.102  1.00  0.00           C  
HETATM   13  C   UNL     1       1.327   0.416   0.666  1.00  0.00           C  
HETATM   14  C   UNL     1       2.579   0.161   1.218  1.00  0.00           C  
HETATM   15  C   UNL     1       0.786   1.797   0.677  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.548   2.028   0.347  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.047   3.316   0.360  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.224   4.376   0.700  1.00  0.00           C  
HETATM   19  C   UNL     1       1.102   4.152   1.028  1.00  0.00           C  
HETATM   20  C   UNL     1       1.609   2.867   1.024  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.029  -2.817  -0.134  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.890  -3.711  -0.762  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.632  -2.884   0.494  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.550  -1.962   0.831  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.297  -1.925   1.855  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.777  -2.035   2.228  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.315  -0.467   0.495  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.261  -0.176  -0.673  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.964   1.216  -1.234  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.558   1.233  -1.838  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.973   1.553  -2.302  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.290  -2.818   0.018  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.814  -2.713  -0.373  1.00  0.00           C  
HETATM   34  N   UNL     1      10.261  -0.505  -0.981  1.00  0.00           N  
HETATM   35  N   UNL     1       5.456  -1.313   0.752  1.00  0.00           N1+
HETATM   36  N   UNL     1       0.613  -0.566   0.127  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.169  -3.716  -0.426  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.840  -2.023   1.116  1.00  0.00           N  
HETATM   39  N   UNL     1      -4.979  -2.918   0.819  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.601  -1.803   1.034  1.00  0.00           N1+
HETATM   41  O   UNL     1      11.147  -0.268  -3.001  1.00  0.00           O  
HETATM   42  O   UNL     1       0.293  -2.784  -0.452  1.00  0.00           O  
HETATM   43  O   UNL     1      -9.428   2.682  -2.376  1.00  0.00           O1-
HETATM   44  O   UNL     1      -9.334   0.697  -3.091  1.00  0.00           O  
HETATM   45 CL   UNL     1      -2.709   3.606  -0.051  1.00  0.00          Cl  
HETATM   46 CL   UNL     1       2.125   5.486   1.459  1.00  0.00          Cl  
HETATM   47  H   UNL     1      12.854  -1.924  -1.377  1.00  0.00           H  
HETATM   48  H   UNL     1      13.435  -0.329  -1.911  1.00  0.00           H  
HETATM   49  H   UNL     1      12.773  -0.531  -0.271  1.00  0.00           H  
HETATM   50  H   UNL     1       8.637  -0.910  -2.244  1.00  0.00           H  
HETATM   51  H   UNL     1       8.925   0.815  -1.914  1.00  0.00           H  
HETATM   52  H   UNL     1       8.254   0.419   0.476  1.00  0.00           H  
HETATM   53  H   UNL     1       6.598   1.257  -1.143  1.00  0.00           H  
HETATM   54  H   UNL     1       6.234  -0.407  -1.660  1.00  0.00           H  
HETATM   55  H   UNL     1       5.840   0.711   1.153  1.00  0.00           H  
HETATM   56  H   UNL     1       4.549   0.409  -0.033  1.00  0.00           H  
HETATM   57  H   UNL     1       6.676  -2.756   1.669  1.00  0.00           H  
HETATM   58  H   UNL     1       7.038  -1.071   2.111  1.00  0.00           H  
HETATM   59  H   UNL     1       7.531  -2.338  -0.622  1.00  0.00           H  
HETATM   60  H   UNL     1       8.777  -1.985   0.600  1.00  0.00           H  
HETATM   61  H   UNL     1       4.637  -0.754   2.605  1.00  0.00           H  
HETATM   62  H   UNL     1       4.426  -2.468   2.174  1.00  0.00           H  
HETATM   63  H   UNL     1       2.656  -3.151   0.612  1.00  0.00           H  
HETATM   64  H   UNL     1       3.156   0.962   1.656  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.190   1.202   0.082  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.618   5.382   0.709  1.00  0.00           H  
HETATM   67  H   UNL     1       2.644   2.693   1.280  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.518  -4.392  -1.513  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.909  -1.259   1.342  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.091  -0.924   1.475  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.684  -2.111   2.738  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.979  -3.032   2.621  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.017  -1.290   2.986  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.284  -0.429   0.145  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.462   0.279   1.276  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.114  -0.922  -1.454  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.292  -0.214  -0.323  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.024   1.952  -0.432  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.498   0.498  -2.640  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.346   2.225  -2.238  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.828   0.990  -1.066  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.911  -2.652  -0.862  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.490  -3.810   0.422  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.580  -3.476  -1.116  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.617  -1.726  -0.790  1.00  0.00           H  
HETATM   86  H   UNL     1      10.392  -0.707  -0.041  1.00  0.00           H  
HETATM   87  H   UNL     1       5.216  -1.897  -0.035  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.577  -1.864   1.282  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2   34   41   41    1                                       
CONECT    3    4   34   50   51                                       
CONECT    4    8    3    5   52                                       
CONECT    5    4    6   53   54                                       
CONECT    6   35    5   55   56                                       
CONECT    7    8   35   57   58                                       
CONECT    8    7    4   59   60                                       
CONECT    9   10   35   61   62                                       
CONECT   10   11   11   14    9                                       
CONECT   11   12   10   10   63                                       
CONECT   12   42   36   36   11                                       
CONECT   13   36   15   14   14                                       
CONECT   14   13   13   10   64                                       
CONECT   15   20   13   16   16                                       
CONECT   16   15   15   17   65                                       
CONECT   17   18   18   16   45                                       
CONECT   18   19   17   17   66                                       
CONECT   19   46   20   20   18                                       
CONECT   20   19   19   15   67                                       
CONECT   21   22   22   24   42                                       
CONECT   22   37   21   21   68                                       
CONECT   23   39   37   37   38                                       
CONECT   24   38   38   21   69                                       
CONECT   25   26   39   70   71                                       
CONECT   26   40   25   72   73                                       
CONECT   27   28   40   74   75                                       
CONECT   28   29   27   76   77                                       
CONECT   29   31   30   28   78                                       
CONECT   30   29   79   80   81                                       
CONECT   31   44   44   29   43                                       
CONECT   32   40   33   82   83                                       
CONECT   33   32   39   84   85                                       
CONECT   34    3    2   86                                            
CONECT   35    7    9    6   87                                       
CONECT   36   12   12   13                                            
CONECT   37   23   23   22                                            
CONECT   38   23   24   24                                            
CONECT   39   25   33   23                                            
CONECT   40   27   26   32   88                                       
CONECT   41    2    2                                                 
CONECT   42   21   12                                                 
CONECT   43   31                                                      
CONECT   44   31   31                                                 
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   40                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
