COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.105   6.629   2.631  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.200   6.271   1.341  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.481   7.095   0.504  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.955   4.839   0.937  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.125   4.701  -0.577  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.880   3.270  -0.982  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.847   2.249  -1.062  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.316   2.386  -0.757  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.696   2.733  -1.339  1.00  0.00           C  
HETATM   10  C   UNL     1       0.623   3.459  -1.408  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.895   1.415  -1.627  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.217   1.125  -1.460  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.863  -0.215  -1.692  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.639  -1.103  -0.495  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.445  -1.626  -0.094  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.591  -1.517   0.367  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.056  -1.170   0.311  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.795  -2.211  -0.533  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.261  -1.864  -0.589  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.672  -0.885  -0.013  1.00  0.00           O  
HETATM   21  O   UNL     1      -8.109  -2.643  -1.279  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.964  -2.334   1.327  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.635  -3.022   2.488  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.651  -2.387   1.017  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.605  -3.165   1.771  1.00  0.00           C  
HETATM   26  C   UNL     1       0.738  -2.501   1.624  1.00  0.00           C  
HETATM   27  N   UNL     1       1.016  -1.187   1.858  1.00  0.00           N  
HETATM   28  C   UNL     1       1.879  -3.111   1.238  1.00  0.00           C  
HETATM   29  C   UNL     1       2.034  -4.564   0.873  1.00  0.00           C  
HETATM   30  C   UNL     1       1.789  -4.743  -0.626  1.00  0.00           C  
HETATM   31  C   UNL     1       1.944  -6.196  -0.992  1.00  0.00           C  
HETATM   32  O   UNL     1       1.773  -6.591  -2.263  1.00  0.00           O  
HETATM   33  O   UNL     1       2.222  -7.007  -0.140  1.00  0.00           O  
HETATM   34  C   UNL     1       2.898  -2.138   1.240  1.00  0.00           C  
HETATM   35  C   UNL     1       4.344  -2.361   0.878  1.00  0.00           C  
HETATM   36  C   UNL     1       2.342  -0.971   1.626  1.00  0.00           C  
HETATM   37  C   UNL     1       3.066   0.341   1.778  1.00  0.00           C  
HETATM   38  C   UNL     1       2.762   1.224   0.595  1.00  0.00           C  
HETATM   39  N   UNL     1       1.597   1.901   0.383  1.00  0.00           N  
HETATM   40  C   UNL     1       1.700   2.591  -0.809  1.00  0.00           C  
HETATM   41  C   UNL     1       2.917   2.355  -1.340  1.00  0.00           C  
HETATM   42  C   UNL     1       3.449   2.915  -2.634  1.00  0.00           C  
HETATM   43  C   UNL     1       3.593   1.483  -0.434  1.00  0.00           C  
HETATM   44  C   UNL     1       4.990   0.946  -0.610  1.00  0.00           C  
HETATM   45  C   UNL     1       5.998   1.949  -0.045  1.00  0.00           C  
HETATM   46  C   UNL     1       7.394   1.408  -0.212  1.00  0.00           C  
HETATM   47  O   UNL     1       7.566   0.329  -0.729  1.00  0.00           O  
HETATM   48  O   UNL     1       8.447   2.123   0.214  1.00  0.00           O  
HETATM   49  H   UNL     1      -2.271   7.558   2.842  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.942   4.551   1.217  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.670   4.192   1.443  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.138   4.990  -0.858  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.409   5.349  -1.084  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.851   2.667  -1.665  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.701   1.436  -0.388  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.460   3.156   0.001  1.00  0.00           H  
HETATM   57  H   UNL     1       0.867   3.675  -2.448  1.00  0.00           H  
HETATM   58  H   UNL     1       0.555   4.392  -0.848  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.210   0.788  -1.908  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.933  -0.079  -1.847  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.426  -0.681  -2.575  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.590  -1.480  -0.529  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.467  -1.164   1.321  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.180  -0.185  -0.138  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.385  -2.217  -1.543  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.672  -3.197  -0.084  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.039  -2.380  -1.286  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.969  -4.013   2.179  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.928  -3.118   3.312  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.494  -2.434   2.812  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.875  -3.206   2.826  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.553  -4.179   1.374  1.00  0.00           H  
HETATM   73  H   UNL     1       0.376  -0.516   2.143  1.00  0.00           H  
HETATM   74  H   UNL     1       3.043  -4.895   1.118  1.00  0.00           H  
HETATM   75  H   UNL     1       1.311  -5.159   1.433  1.00  0.00           H  
HETATM   76  H   UNL     1       0.779  -4.412  -0.871  1.00  0.00           H  
HETATM   77  H   UNL     1       2.511  -4.148  -1.186  1.00  0.00           H  
HETATM   78  H   UNL     1       1.883  -7.534  -2.449  1.00  0.00           H  
HETATM   79  H   UNL     1       4.499  -2.105  -0.170  1.00  0.00           H  
HETATM   80  H   UNL     1       4.976  -1.731   1.504  1.00  0.00           H  
HETATM   81  H   UNL     1       4.602  -3.408   1.038  1.00  0.00           H  
HETATM   82  H   UNL     1       2.737   0.834   2.693  1.00  0.00           H  
HETATM   83  H   UNL     1       4.139   0.160   1.829  1.00  0.00           H  
HETATM   84  H   UNL     1       0.825   1.895   0.970  1.00  0.00           H  
HETATM   85  H   UNL     1       3.954   3.861  -2.440  1.00  0.00           H  
HETATM   86  H   UNL     1       4.155   2.209  -3.072  1.00  0.00           H  
HETATM   87  H   UNL     1       2.622   3.079  -3.326  1.00  0.00           H  
HETATM   88  H   UNL     1       5.084  -0.002  -0.079  1.00  0.00           H  
HETATM   89  H   UNL     1       5.189   0.789  -1.670  1.00  0.00           H  
HETATM   90  H   UNL     1       5.908   2.894  -0.581  1.00  0.00           H  
HETATM   91  H   UNL     1       5.795   2.111   1.013  1.00  0.00           H  
HETATM   92  H   UNL     1       9.323   1.734   0.086  1.00  0.00           H  
CONECT    1    2   49                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   50   51                                       
CONECT    5    4    6   52   53                                       
CONECT    6    5    7    9    9                                       
CONECT    7    6    8   12   12                                       
CONECT    8    7   54   55   56                                       
CONECT    9    6    6   10   11                                       
CONECT   10    9   40   57   58                                       
CONECT   11    9   12   59                                            
CONECT   12    7    7   11   13                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   24   62                                            
CONECT   16   14   14   17   22                                       
CONECT   17   16   18   63   64                                       
CONECT   18   17   19   65   66                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   67                                                 
CONECT   22   16   23   24   24                                       
CONECT   23   22   68   69   70                                       
CONECT   24   15   22   22   25                                       
CONECT   25   24   26   71   72                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   36   73                                            
CONECT   28   26   26   29   34                                       
CONECT   29   28   30   74   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   78                                                 
CONECT   33   31   31                                                 
CONECT   34   28   35   36   36                                       
CONECT   35   34   79   80   81                                       
CONECT   36   27   34   34   37                                       
CONECT   37   36   38   82   83                                       
CONECT   38   37   39   43   43                                       
CONECT   39   38   40   84                                            
CONECT   40   10   39   41   41                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41   85   86   87                                       
CONECT   43   38   38   41   44                                       
CONECT   44   43   45   88   89                                       
CONECT   45   44   46   90   91                                       
CONECT   46   45   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46   92                                                 
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   39                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   48                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
