COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.926  -5.457   0.670  1.00  0.00           N  
HETATM    2  C   UNL     1      15.421  -3.432  -0.474  1.00  0.00           C  
HETATM    3  O   UNL     1       0.994   6.175   1.125  1.00  0.00           O  
HETATM    4  C   UNL     1      14.193  -2.886  -1.205  1.00  0.00           C  
HETATM    5  C   UNL     1       5.076   3.470   0.714  1.00  0.00           C  
HETATM    6  C   UNL     1       3.848   4.016  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1       3.007   4.850   0.952  1.00  0.00           C  
HETATM    8  C   UNL     1       1.779   5.396   0.221  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.183   6.735   0.540  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.332   5.939   1.061  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.571   5.530   0.263  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.005  -1.906  -2.244  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.903  -2.880  -1.823  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.395  -4.606  -0.398  1.00  0.00           C  
HETATM   15  C   UNL     1      13.352  -2.052  -0.236  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.573  -5.293  -1.770  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.914  -4.130  -2.730  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.186  -5.408   1.189  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.154  -6.987   2.259  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.717  -8.040   3.081  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.655  -7.943   2.048  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.249  -6.452   1.328  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.342   7.466   1.325  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.826   7.743   1.516  1.00  0.00           C  
HETATM   25  C   UNL     1      12.124  -1.505  -0.967  1.00  0.00           C  
HETATM   26  C   UNL     1      11.283  -0.671   0.001  1.00  0.00           C  
HETATM   27  C   UNL     1      10.055  -0.125  -0.729  1.00  0.00           C  
HETATM   28  C   UNL     1       9.214   0.709   0.239  1.00  0.00           C  
HETATM   29  C   UNL     1       7.986   1.255  -0.492  1.00  0.00           C  
HETATM   30  C   UNL     1       7.145   2.089   0.477  1.00  0.00           C  
HETATM   31  C   UNL     1       5.917   2.636  -0.254  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.319  -6.309   2.118  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.564  -8.606   4.017  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.470  -8.479   2.938  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.021  -6.957   1.258  1.00  0.00           N  
HETATM   36  O   UNL     1      -1.142   5.700   0.292  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.359  -5.932  -2.171  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.923  -4.017  -3.752  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.076   7.779   2.510  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.426   7.473   2.862  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.603   4.108   0.130  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.169   3.533   0.120  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.887   3.862  -2.029  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.421   1.757  -0.717  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.394   0.095  -1.222  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.909   0.971  -3.066  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.904  -0.708  -1.472  1.00  0.00           O  
HETATM   48  O   UNL     1      -3.159  -3.385  -0.494  1.00  0.00           O  
HETATM   49  P   UNL     1      -4.773   3.326  -0.654  1.00  0.00           P  
HETATM   50  P   UNL     1      -4.907   0.538  -1.650  1.00  0.00           P  
HETATM   51  H   UNL     1      16.018  -2.602  -0.096  1.00  0.00           H  
HETATM   52  H   UNL     1      15.100  -4.057   0.360  1.00  0.00           H  
HETATM   53  H   UNL     1      16.020  -4.026  -1.164  1.00  0.00           H  
HETATM   54  H   UNL     1      14.514  -2.261  -2.038  1.00  0.00           H  
HETATM   55  H   UNL     1      13.596  -3.716  -1.582  1.00  0.00           H  
HETATM   56  H   UNL     1       5.674   4.300   1.092  1.00  0.00           H  
HETATM   57  H   UNL     1       4.755   2.845   1.548  1.00  0.00           H  
HETATM   58  H   UNL     1       4.169   4.641  -0.850  1.00  0.00           H  
HETATM   59  H   UNL     1       3.251   3.186  -0.394  1.00  0.00           H  
HETATM   60  H   UNL     1       2.686   4.225   1.785  1.00  0.00           H  
HETATM   61  H   UNL     1       3.605   5.680   1.329  1.00  0.00           H  
HETATM   62  H   UNL     1       1.182   4.566  -0.157  1.00  0.00           H  
HETATM   63  H   UNL     1       2.101   6.021  -0.613  1.00  0.00           H  
HETATM   64  H   UNL     1       0.071   7.235  -0.395  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.292   5.393   2.003  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.467   5.867   0.785  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.534   5.986  -0.726  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.894  -1.667  -3.302  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.979  -2.365  -2.076  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.929  -2.391  -1.864  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.343  -4.385  -0.218  1.00  0.00           H  
HETATM   72  H   UNL     1      13.031  -2.677   0.597  1.00  0.00           H  
HETATM   73  H   UNL     1      13.949  -1.222   0.141  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.389  -6.013  -1.734  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.901  -4.274  -3.170  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.959  -4.723   0.874  1.00  0.00           H  
HETATM   77  H   UNL     1       0.350  -8.330   1.965  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.736   8.011   0.467  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.580   8.767   1.235  1.00  0.00           H  
HETATM   80  H   UNL     1      12.445  -0.881  -1.800  1.00  0.00           H  
HETATM   81  H   UNL     1      11.527  -2.336  -1.344  1.00  0.00           H  
HETATM   82  H   UNL     1      10.962  -1.296   0.835  1.00  0.00           H  
HETATM   83  H   UNL     1      11.880   0.159   0.379  1.00  0.00           H  
HETATM   84  H   UNL     1      10.376   0.500  -1.563  1.00  0.00           H  
HETATM   85  H   UNL     1       9.458  -0.955  -1.107  1.00  0.00           H  
HETATM   86  H   UNL     1       8.893   0.084   1.072  1.00  0.00           H  
HETATM   87  H   UNL     1       9.811   1.539   0.616  1.00  0.00           H  
HETATM   88  H   UNL     1       8.307   1.880  -1.325  1.00  0.00           H  
HETATM   89  H   UNL     1       7.389   0.425  -0.869  1.00  0.00           H  
HETATM   90  H   UNL     1       6.824   1.465   1.310  1.00  0.00           H  
HETATM   91  H   UNL     1       7.742   2.920   0.854  1.00  0.00           H  
HETATM   92  H   UNL     1       5.320   1.805  -0.632  1.00  0.00           H  
HETATM   93  H   UNL     1       6.238   3.260  -1.088  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.471  -8.278   4.112  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.250  -9.333   4.578  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.415  -6.379  -3.027  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.886  -4.776  -4.351  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.110   8.724   2.715  1.00  0.00           H  
HETATM   99  H   UNL     1       0.527   7.547   3.011  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.167   3.204   1.030  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.468  -0.201  -0.305  1.00  0.00           H  
CONECT    1   18   14   22                                            
CONECT    2    4   51   52   53                                       
CONECT    3    8    9                                                 
CONECT    4   15    2   54   55                                       
CONECT    5    6   31   56   57                                       
CONECT    6    7    5   58   59                                       
CONECT    7    6    8   60   61                                       
CONECT    8    7    3   62   63                                       
CONECT    9    3   36   24   64                                       
CONECT   10   36   23   11   65                                       
CONECT   11   10   41   66   67                                       
CONECT   12   47   13   68   69                                       
CONECT   13   12   17   48   70                                       
CONECT   14   16   48    1   71                                       
CONECT   15   25    4   72   73                                       
CONECT   16   17   37   14   74                                       
CONECT   17   13   38   16   75                                       
CONECT   18   32   32    1   76                                       
CONECT   19   32   22   22   20                                       
CONECT   20   19   33   34   34                                       
CONECT   21   35   35   34   77                                       
CONECT   22    1   19   19   35                                       
CONECT   23   24   10   39   78                                       
CONECT   24    9   40   23   79                                       
CONECT   25   26   15   80   81                                       
CONECT   26   27   25   82   83                                       
CONECT   27   28   26   84   85                                       
CONECT   28   29   27   86   87                                       
CONECT   29   30   28   88   89                                       
CONECT   30   29   31   90   91                                       
CONECT   31    5   30   92   93                                       
CONECT   32   18   18   19                                            
CONECT   33   20   94   95                                            
CONECT   34   20   20   21                                            
CONECT   35   22   21   21                                            
CONECT   36    9   10                                                 
CONECT   37   16   96                                                 
CONECT   38   17   97                                                 
CONECT   39   23   98                                                 
CONECT   40   24   99                                                 
CONECT   41   11   49                                                 
CONECT   42   49  100                                                 
CONECT   43   49   49                                                 
CONECT   44   49   50                                                 
CONECT   45   50  101                                                 
CONECT   46   50   50                                                 
CONECT   47   50   12                                                 
CONECT   48   13   14                                                 
CONECT   49   41   44   43   43                                       
CONECT   49   42                                                      
CONECT   50   46   46   45   44                                       
CONECT   50   47                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   21                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   40                                                      
CONECT  100   42                                                      
CONECT  101   45                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
