COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       1.278   3.856  -0.313  1.00  0.00           P  
HETATM    2  P   UNL     1       4.206   3.400  -0.381  1.00  0.00           P  
HETATM    3  N   UNL     1      -5.575  -1.518  -1.056  1.00  0.00           N  
HETATM    4  N   UNL     1      10.037  -5.437  -0.206  1.00  0.00           N  
HETATM    5  O   UNL     1       4.500   4.778   0.070  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.839  -2.661  -0.390  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.983  -2.936  -0.085  1.00  0.00           O  
HETATM    8  C   UNL     1      10.166  -4.733   0.904  1.00  0.00           C  
HETATM    9  O   UNL     1       4.495   3.279  -1.960  1.00  0.00           O  
HETATM   10  N   UNL     1      -4.834  -3.497  -0.063  1.00  0.00           N  
HETATM   11  N   UNL     1       9.604  -3.554   1.063  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.107  -4.686   0.511  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.247  -4.964   0.816  1.00  0.00           O  
HETATM   14  C   UNL     1       8.870  -3.017   0.093  1.00  0.00           C  
HETATM   15  N   UNL     1     -15.257  -1.376   0.982  1.00  0.00           N  
HETATM   16  C   UNL     1       8.702  -3.727  -1.108  1.00  0.00           C  
HETATM   17  C   UNL     1     -12.978  -0.646   0.460  1.00  0.00           C  
HETATM   18  C   UNL     1       9.322  -4.982  -1.230  1.00  0.00           C  
HETATM   19  N   UNL     1       9.192  -5.727  -2.389  1.00  0.00           N  
HETATM   20  C   UNL     1     -11.499  -0.998   0.628  1.00  0.00           C  
HETATM   21  N   UNL     1       7.923  -2.967  -1.915  1.00  0.00           N  
HETATM   22  C   UNL     1     -10.638   0.130   0.055  1.00  0.00           C  
HETATM   23  C   UNL     1       7.609  -1.864  -1.300  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.162  -0.266   0.129  1.00  0.00           C  
HETATM   25  N   UNL     1       8.170  -1.847  -0.058  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.012   1.548  -0.779  1.00  0.00           C  
HETATM   27  C   UNL     1       8.048  -0.776   0.934  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.676  -0.664  -1.508  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.900   0.406  -0.526  1.00  0.00           N  
HETATM   30  O   UNL     1       1.273   4.468  -1.661  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.579   1.174  -0.393  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.542   0.785   0.981  1.00  0.00           O  
HETATM   33  C   UNL     1       9.254   0.193   0.844  1.00  0.00           C  
HETATM   34  O   UNL     1      10.347  -0.279   1.633  1.00  0.00           O  
HETATM   35  O   UNL     1       1.138   5.010   0.801  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.663   2.381  -0.606  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.700   2.771  -1.980  1.00  0.00           O  
HETATM   38  C   UNL     1       8.667   1.497   1.436  1.00  0.00           C  
HETATM   39  O   UNL     1       9.028   1.628   2.812  1.00  0.00           O  
HETATM   40  O   UNL     1       2.659   3.059  -0.091  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.230   2.008  -0.220  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.193   1.618   1.155  1.00  0.00           O  
HETATM   43  C   UNL     1       7.142   1.325   1.292  1.00  0.00           C  
HETATM   44  O   UNL     1       6.915   0.067   0.635  1.00  0.00           O  
HETATM   45  C   UNL     1      -3.995  -5.668   0.774  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.314   3.214  -0.433  1.00  0.00           C  
HETATM   47  O   UNL     1       0.041   2.833  -0.184  1.00  0.00           O  
HETATM   48  C   UNL     1       6.567   2.464   0.448  1.00  0.00           C  
HETATM   49  O   UNL     1       5.142   2.362   0.417  1.00  0.00           O  
HETATM   50  C   UNL     1     -13.837  -1.713   1.143  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.196  -2.299  -0.116  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.865   1.407   0.866  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.308   0.826  -0.518  1.00  0.00           C  
HETATM   54  H   UNL     1      -4.657  -1.263  -1.235  1.00  0.00           H  
HETATM   55  H   UNL     1      10.756  -5.141   1.712  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.915  -3.244  -0.241  1.00  0.00           H  
HETATM   57  H   UNL     1     -15.495  -1.270   0.007  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.845  -2.066   1.425  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.175   0.325   0.914  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.224  -0.607  -0.601  1.00  0.00           H  
HETATM   61  H   UNL     1       9.626  -6.591  -2.461  1.00  0.00           H  
HETATM   62  H   UNL     1       8.668  -5.384  -3.130  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.273  -1.124   1.687  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.916   0.306  -0.984  1.00  0.00           H  
HETATM   65  H   UNL     1       6.996  -1.077  -1.714  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.870  -0.386   1.172  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.012  -1.207  -0.401  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.047   1.808  -1.837  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.338   2.401  -0.184  1.00  0.00           H  
HETATM   70  H   UNL     1       7.964  -1.193   1.938  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.421  -0.224  -2.472  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.582  -1.261  -1.609  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.239   0.346  -1.015  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.832   1.475   1.594  1.00  0.00           H  
HETATM   75  H   UNL     1       9.559   0.338  -0.193  1.00  0.00           H  
HETATM   76  H   UNL     1      11.126   0.294   1.609  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.002   3.209   0.016  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.410   2.081  -2.592  1.00  0.00           H  
HETATM   79  H   UNL     1       9.010   2.362   0.868  1.00  0.00           H  
HETATM   80  H   UNL     1       9.981   1.682   2.965  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.890   1.179  -0.842  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.483   2.308   1.767  1.00  0.00           H  
HETATM   83  H   UNL     1       6.676   1.318   2.277  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.580  -5.491   1.766  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.388  -6.684   0.721  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.214  -5.541   0.024  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.409   3.567  -1.460  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.598   4.012   0.253  1.00  0.00           H  
HETATM   89  H   UNL     1       6.853   3.421   0.886  1.00  0.00           H  
HETATM   90  H   UNL     1       6.958   2.398  -0.567  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.591  -1.752   2.204  1.00  0.00           H  
HETATM   92  H   UNL     1     -13.639  -2.684   0.689  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.169  -2.603   0.086  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.879  -3.079   0.221  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.323  -2.143  -1.188  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.587   1.231   1.906  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.252   2.211   0.458  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.916   1.690   0.814  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.644   0.991  -1.542  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.408   1.750   0.051  1.00  0.00           H  
HETATM  101  H   UNL     1       4.323   2.400  -2.325  1.00  0.00           H  
HETATM  102  H   UNL     1       1.135   4.681   1.710  1.00  0.00           H  
CONECT    1   30   30   35   40                                       
CONECT    1   47                                                      
CONECT    2    5    5    9   40                                       
CONECT    2   49                                                      
CONECT    3    6   28   54                                            
CONECT    4    8    8   18                                            
CONECT    5    2    2                                                 
CONECT    6    3    7    7   10                                       
CONECT    7    6    6                                                 
CONECT    8    4    4   11   55                                       
CONECT    9    2  101                                                 
CONECT   10    6   12   56                                            
CONECT   11    8   14   14                                            
CONECT   12   10   13   13   45                                       
CONECT   13   12   12                                                 
CONECT   14   11   11   16   25                                       
CONECT   15   50   57   58                                            
CONECT   16   14   18   18   21                                       
CONECT   17   20   50   59   60                                       
CONECT   18    4   16   16   19                                       
CONECT   19   18   61   62                                            
CONECT   20   17   22   51   63                                       
CONECT   21   16   23   23                                            
CONECT   22   20   24   52   64                                       
CONECT   23   21   21   25   65                                       
CONECT   24   22   53   66   67                                       
CONECT   25   14   23   27                                            
CONECT   26   29   31   68   69                                       
CONECT   27   25   33   44   70                                       
CONECT   28    3   29   71   72                                       
CONECT   29   26   28   53                                            
CONECT   30    1    1                                                 
CONECT   31   26   32   36   73                                       
CONECT   32   31   74                                                 
CONECT   33   27   34   38   75                                       
CONECT   34   33   76                                                 
CONECT   35    1  102                                                 
CONECT   36   31   37   41   77                                       
CONECT   37   36   78                                                 
CONECT   38   33   39   43   79                                       
CONECT   39   38   80                                                 
CONECT   40    1    2                                                 
CONECT   41   36   42   46   81                                       
CONECT   42   41   82                                                 
CONECT   43   38   44   48   83                                       
CONECT   44   27   43                                                 
CONECT   45   12   84   85   86                                       
CONECT   46   41   47   87   88                                       
CONECT   47    1   46                                                 
CONECT   48   43   49   89   90                                       
CONECT   49    2   48                                                 
CONECT   50   15   17   91   92                                       
CONECT   51   20   93   94   95                                       
CONECT   52   22   96   97   98                                       
CONECT   53   24   29   99  100                                       
CONECT   54    3                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   48                                                      
CONECT   90   48                                                      
CONECT   91   50                                                      
CONECT   92   50                                                      
CONECT   93   51                                                      
CONECT   94   51                                                      
CONECT   95   51                                                      
CONECT   96   52                                                      
CONECT   97   52                                                      
CONECT   98   52                                                      
CONECT   99   53                                                      
CONECT  100   53                                                      
CONECT  101    9                                                      
CONECT  102   35                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
