COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.914   3.902   0.045  1.00  0.00           N  
HETATM    2  C   UNL     1       3.049  -0.521  -3.099  1.00  0.00           C  
HETATM    3  C   UNL     1       2.282  -2.453   0.552  1.00  0.00           C  
HETATM    4  N   UNL     1       4.953   2.101  -1.087  1.00  0.00           N  
HETATM    5  C   UNL     1       1.616  -1.186   0.508  1.00  0.00           C  
HETATM    6  O   UNL     1       4.078  -0.696  -0.972  1.00  0.00           O  
HETATM    7  C   UNL     1       5.882   5.310   0.449  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.989   4.298  -0.942  1.00  0.00           O  
HETATM    9  C   UNL     1       3.855  -2.063  -1.394  1.00  0.00           C  
HETATM   10  C   UNL     1       2.849  -1.956  -2.562  1.00  0.00           C  
HETATM   11  N   UNL     1       3.285  -2.849  -0.298  1.00  0.00           N  
HETATM   12  C   UNL     1       4.151   0.072  -2.193  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.251   1.015   0.358  1.00  0.00           O  
HETATM   14  C   UNL     1       3.873   1.550  -1.909  1.00  0.00           C  
HETATM   15  O   UNL     1       3.154  -2.916  -3.575  1.00  0.00           O  
HETATM   16  C   UNL     1       4.921   3.395  -0.711  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.625   1.214   1.492  1.00  0.00           N  
HETATM   18  N   UNL     1       7.085   7.038   1.699  1.00  0.00           N  
HETATM   19  C   UNL     1       7.117   5.626   1.294  1.00  0.00           C  
HETATM   20  O   UNL     1       3.995   4.105  -1.055  1.00  0.00           O  
HETATM   21  C   UNL     1       1.071  -0.147   0.473  1.00  0.00           C  
HETATM   22  C   UNL     1       0.386   1.156   0.428  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.487   2.394   1.334  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.428   2.182   0.147  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.387   1.186  -0.517  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.746   2.684  -0.409  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.428   3.355   0.038  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.709  -0.108   1.199  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.366  -0.851   0.014  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.547  -0.094  -0.840  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.983  -0.535  -2.579  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.522  -1.440  -0.525  1.00  0.00           C  
HETATM   33  C   UNL     1       0.005   1.196   2.819  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.025   0.840   3.859  1.00  0.00           C  
HETATM   35  C   UNL     1       2.839  -4.463   1.164  1.00  0.00           C  
HETATM   36  C   UNL     1       3.654  -4.119   0.070  1.00  0.00           C  
HETATM   37  C   UNL     1       4.667  -6.178   0.200  1.00  0.00           C  
HETATM   38  C   UNL     1       3.008  -5.735   1.743  1.00  0.00           C  
HETATM   39  N   UNL     1       2.031  -3.410   1.414  1.00  0.00           N  
HETATM   40  N   UNL     1       4.545  -4.999  -0.373  1.00  0.00           N  
HETATM   41  N   UNL     1       3.926  -6.547   1.229  1.00  0.00           N  
HETATM   42  N   UNL     1       2.237  -6.131   2.821  1.00  0.00           N  
HETATM   43  N   UNL     1      -5.507   0.357  -0.066  1.00  0.00           N  
HETATM   44  N   UNL     1      -6.800  -0.816   1.244  1.00  0.00           N  
HETATM   45  N   UNL     1      -6.891   0.036  -2.118  1.00  0.00           N  
HETATM   46  N   UNL     1      -8.784  -1.255  -1.815  1.00  0.00           N  
HETATM   47  N   UNL     1      -9.367  -2.197   0.267  1.00  0.00           N  
HETATM   48  O   UNL     1       3.483  -0.551  -4.460  1.00  0.00           O  
HETATM   49  O   UNL     1      -5.161   3.192  -1.679  1.00  0.00           O  
HETATM   50  O   UNL     1      -0.682   0.797   5.156  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.160   0.592   3.526  1.00  0.00           O  
HETATM   52  H   UNL     1       6.653   3.336   0.319  1.00  0.00           H  
HETATM   53  H   UNL     1       2.128   0.054  -3.006  1.00  0.00           H  
HETATM   54  H   UNL     1       5.691   1.535  -0.813  1.00  0.00           H  
HETATM   55  H   UNL     1       5.878   5.942  -0.439  1.00  0.00           H  
HETATM   56  H   UNL     1       4.983   5.500   1.034  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.609   5.024  -1.095  1.00  0.00           H  
HETATM   58  H   UNL     1       4.788  -2.511  -1.738  1.00  0.00           H  
HETATM   59  H   UNL     1       1.830  -2.090  -2.201  1.00  0.00           H  
HETATM   60  H   UNL     1       5.129  -0.048  -2.659  1.00  0.00           H  
HETATM   61  H   UNL     1       2.926   1.646  -1.378  1.00  0.00           H  
HETATM   62  H   UNL     1       3.818   2.096  -2.851  1.00  0.00           H  
HETATM   63  H   UNL     1       2.553  -2.893  -4.332  1.00  0.00           H  
HETATM   64  H   UNL     1       6.230   7.255   2.188  1.00  0.00           H  
HETATM   65  H   UNL     1       7.891   7.272   2.259  1.00  0.00           H  
HETATM   66  H   UNL     1       7.121   4.994   2.182  1.00  0.00           H  
HETATM   67  H   UNL     1       8.017   5.437   0.709  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.098   1.278  -0.541  1.00  0.00           H  
HETATM   69  H   UNL     1       1.114   1.954   0.574  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.074   2.538   2.241  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.869   3.274   1.157  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.857   2.082  -0.776  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.117   0.933  -1.543  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.525   2.840   0.337  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.555   3.842   1.004  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.057   0.080   2.039  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.234  -0.409  -3.622  1.00  0.00           H  
HETATM   78  H   UNL     1       0.805   0.456   2.831  1.00  0.00           H  
HETATM   79  H   UNL     1       0.418   2.181   3.038  1.00  0.00           H  
HETATM   80  H   UNL     1       5.401  -6.870  -0.186  1.00  0.00           H  
HETATM   81  H   UNL     1       2.362  -7.010   3.210  1.00  0.00           H  
HETATM   82  H   UNL     1       1.570  -5.529   3.187  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.165  -2.325   1.207  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.162  -2.598  -0.117  1.00  0.00           H  
HETATM   85  H   UNL     1       2.841  -0.942  -5.069  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.342   4.142  -1.682  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.377   0.563   5.787  1.00  0.00           H  
CONECT    1    7   16   52                                            
CONECT    2   12   10   48   53                                       
CONECT    3   39   39    5   11                                       
CONECT    4   16   14   54                                            
CONECT    5    3   21   21   21                                       
CONECT    6    9   12                                                 
CONECT    7   19    1   55   56                                       
CONECT    8   27   57                                                 
CONECT    9    6   11   10   58                                       
CONECT   10    9    2   15   59                                       
CONECT   11    3   36    9                                            
CONECT   12    6   14    2   60                                       
CONECT   13   25   24                                                 
CONECT   14    4   12   61   62                                       
CONECT   15   10   63                                                 
CONECT   16    1    4   20   20                                       
CONECT   17   23   33   22                                            
CONECT   18   19   64   65                                            
CONECT   19   18    7   66   67                                       
CONECT   20   16   16                                                 
CONECT   21    5    5    5   22                                       
CONECT   22   17   21   68   69                                       
CONECT   23   24   17   70   71                                       
CONECT   24   27   13   23   72                                       
CONECT   25   26   43   13   73                                       
CONECT   26   49   27   25   74                                       
CONECT   27   26    8   24   75                                       
CONECT   28   44   44   43   76                                       
CONECT   29   44   32   32   30                                       
CONECT   30   29   43   45   45                                       
CONECT   31   46   46   45   77                                       
CONECT   32   47   29   29   46                                       
CONECT   33   17   34   78   79                                       
CONECT   34   51   51   33   50                                       
CONECT   35   38   39   36   36                                       
CONECT   36   35   35   40   11                                       
CONECT   37   41   40   40   80                                       
CONECT   38   42   41   41   35                                       
CONECT   39   35    3    3                                            
CONECT   40   37   37   36                                            
CONECT   41   38   38   37                                            
CONECT   42   38   81   82                                            
CONECT   43   28   30   25                                            
CONECT   44   29   28   28                                            
CONECT   45   30   30   31                                            
CONECT   46   32   31   31                                            
CONECT   47   32   83   84                                            
CONECT   48    2   85                                                 
CONECT   49   26   86                                                 
CONECT   50   34   87                                                 
CONECT   51   34   34                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   37                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   47                                                      
CONECT   84   47                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
CONECT   87   50                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
