COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.858   1.845  -1.775  1.00  0.00           C  
HETATM    2  C   UNL     1      10.075   2.781  -2.891  1.00  0.00           C  
HETATM    3  C   UNL     1       5.200   2.161  -1.826  1.00  0.00           C  
HETATM    4  C   UNL     1       5.962   2.148  -0.670  1.00  0.00           C  
HETATM    5  C   UNL     1       8.245   0.945  -0.135  1.00  0.00           C  
HETATM    6  C   UNL     1       5.384   1.817   0.542  1.00  0.00           C  
HETATM    7  C   UNL     1       6.221   1.805   1.795  1.00  0.00           C  
HETATM    8  C   UNL     1       7.277   2.932   1.749  1.00  0.00           C  
HETATM    9  C   UNL     1       8.639   2.204   1.795  1.00  0.00           C  
HETATM   10  C   UNL     1       9.151   1.764  -0.803  1.00  0.00           C  
HETATM   11  C   UNL     1       9.091   1.891  -2.176  1.00  0.00           C  
HETATM   12  N   UNL     1       1.085   1.193  -1.613  1.00  0.00           N  
HETATM   13  N   UNL     1       8.344   0.842   1.259  1.00  0.00           N  
HETATM   14  C   UNL     1       3.268   1.516  -0.553  1.00  0.00           C  
HETATM   15  N   UNL     1       6.360  -0.578  -0.218  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.341   0.861  -1.550  1.00  0.00           C  
HETATM   17  C   UNL     1       8.131   1.206  -2.898  1.00  0.00           C  
HETATM   18  C   UNL     1       8.071   1.349  -4.397  1.00  0.00           C  
HETATM   19  C   UNL     1       7.227   0.390  -2.245  1.00  0.00           C  
HETATM   20  C   UNL     1       7.284   0.255  -0.865  1.00  0.00           C  
HETATM   21  C   UNL     1       5.421  -1.401  -0.985  1.00  0.00           C  
HETATM   22  C   UNL     1       1.829   1.181  -0.490  1.00  0.00           C  
HETATM   23  C   UNL     1       4.051  -1.381  -0.304  1.00  0.00           C  
HETATM   24  C   UNL     1       2.994  -1.918  -1.271  1.00  0.00           C  
HETATM   25  C   UNL     1       1.624  -1.898  -0.590  1.00  0.00           C  
HETATM   26  C   UNL     1       0.566  -2.434  -1.557  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.149  -2.537   0.444  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.735  -1.475   1.377  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.836   0.552   1.178  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.759   1.702  -1.067  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.865   3.524  -0.670  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.533   4.761  -0.667  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.048   4.439   1.560  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.836   2.784   0.524  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.963  -0.511   1.158  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.222  -1.779   1.647  1.00  0.00           C  
HETATM   37  C   UNL     1       6.359  -0.601   1.138  1.00  0.00           C  
HETATM   38  C   UNL     1       5.809  -1.698   3.101  1.00  0.00           C  
HETATM   39  C   UNL     1       7.235   0.143   3.325  1.00  0.00           C  
HETATM   40  C   UNL     1       7.047   0.505   1.879  1.00  0.00           C  
HETATM   41  C   UNL     1       4.043   1.499   0.608  1.00  0.00           C  
HETATM   42  N   UNL     1       6.597  -0.914   3.855  1.00  0.00           N  
HETATM   43  N   UNL     1      -9.132   1.640   0.242  1.00  0.00           N  
HETATM   44  N   UNL     1      -9.191   2.808  -1.601  1.00  0.00           N  
HETATM   45  N   UNL     1     -10.595   5.534  -1.813  1.00  0.00           N  
HETATM   46  N   UNL     1     -11.103   5.171   0.461  1.00  0.00           N  
HETATM   47  N   UNL     1     -10.435   3.276   1.604  1.00  0.00           N  
HETATM   48  N   UNL     1       5.745  -1.564   1.771  1.00  0.00           N  
HETATM   49  O   UNL     1       1.318   0.896   0.576  1.00  0.00           O  
HETATM   50  O   UNL     1      -5.370  -3.303  -2.009  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.739  -4.715  -0.013  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.749  -2.305   0.278  1.00  0.00           O  
HETATM   53  O   UNL     1      -7.670  -0.184   0.749  1.00  0.00           O  
HETATM   54  O   UNL     1     -11.015  -0.156   2.057  1.00  0.00           O  
HETATM   55  O   UNL     1      -9.444  -1.980   3.044  1.00  0.00           O  
HETATM   56  O   UNL     1       5.136  -2.555   3.642  1.00  0.00           O  
HETATM   57  O   UNL     1       7.970   0.812   4.021  1.00  0.00           O  
HETATM   58  O   UNL     1       9.116   2.121   3.140  1.00  0.00           O  
HETATM   59  O   UNL     1       4.088  -2.202   0.865  1.00  0.00           O  
HETATM   60  O   UNL     1       2.957  -1.097  -2.440  1.00  0.00           O  
HETATM   61  O   UNL     1       1.661  -2.719   0.579  1.00  0.00           O  
HETATM   62  O   UNL     1      -0.728  -2.308  -0.965  1.00  0.00           O  
HETATM   63  O   UNL     1      -2.318  -1.866  -3.012  1.00  0.00           O  
HETATM   64  O   UNL     1      -1.958  -4.194  -2.106  1.00  0.00           O  
HETATM   65  O   UNL     1      -3.327  -2.606  -0.700  1.00  0.00           O  
HETATM   66  P   UNL     1      -2.080  -2.775  -1.704  1.00  0.00           P  
HETATM   67  P   UNL     1      -4.808  -3.234  -0.641  1.00  0.00           P  
HETATM   68  H   UNL     1       3.265   1.855  -2.677  1.00  0.00           H  
HETATM   69  H   UNL     1      10.956   2.201  -3.166  1.00  0.00           H  
HETATM   70  H   UNL     1       9.612   3.185  -3.791  1.00  0.00           H  
HETATM   71  H   UNL     1      10.369   3.599  -2.235  1.00  0.00           H  
HETATM   72  H   UNL     1       5.657   2.419  -2.770  1.00  0.00           H  
HETATM   73  H   UNL     1       7.012   2.396  -0.716  1.00  0.00           H  
HETATM   74  H   UNL     1       5.588   1.911   2.676  1.00  0.00           H  
HETATM   75  H   UNL     1       7.182   3.502   0.825  1.00  0.00           H  
HETATM   76  H   UNL     1       7.167   3.590   2.611  1.00  0.00           H  
HETATM   77  H   UNL     1       9.365   2.714   1.163  1.00  0.00           H  
HETATM   78  H   UNL     1       9.903   2.302  -0.245  1.00  0.00           H  
HETATM   79  H   UNL     1       1.493   1.421  -2.463  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.849   1.565  -0.890  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.773   0.924  -2.549  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.462  -0.151  -1.165  1.00  0.00           H  
HETATM   83  H   UNL     1       8.700   0.589  -4.860  1.00  0.00           H  
HETATM   84  H   UNL     1       7.042   1.223  -4.733  1.00  0.00           H  
HETATM   85  H   UNL     1       8.427   2.339  -4.682  1.00  0.00           H  
HETATM   86  H   UNL     1       6.477  -0.145  -2.810  1.00  0.00           H  
HETATM   87  H   UNL     1       5.331  -1.002  -1.995  1.00  0.00           H  
HETATM   88  H   UNL     1       5.790  -2.425  -1.030  1.00  0.00           H  
HETATM   89  H   UNL     1       3.800  -0.358  -0.022  1.00  0.00           H  
HETATM   90  H   UNL     1       3.245  -2.940  -1.553  1.00  0.00           H  
HETATM   91  H   UNL     1       1.373  -0.875  -0.308  1.00  0.00           H  
HETATM   92  H   UNL     1       0.599  -1.863  -2.485  1.00  0.00           H  
HETATM   93  H   UNL     1       0.767  -3.484  -1.769  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.305  -3.526   0.876  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.644  -2.482  -0.526  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.181  -1.459   2.315  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.694   0.942   2.186  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.187   0.946  -1.585  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.525   4.810   2.455  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.348  -0.651   0.148  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.542  -2.652   1.079  1.00  0.00           H  
HETATM  102  H   UNL     1       3.594   1.241   1.555  1.00  0.00           H  
HETATM  103  H   UNL     1       6.707  -1.115   4.798  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.176   5.224  -2.631  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.059   6.386  -1.799  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.381  -4.746   0.884  1.00  0.00           H  
HETATM  107  H   UNL     1     -11.700  -0.833   2.148  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.372  -2.118   3.279  1.00  0.00           H  
HETATM  109  H   UNL     1       9.268   2.979   3.557  1.00  0.00           H  
HETATM  110  H   UNL     1       4.306  -3.127   0.689  1.00  0.00           H  
HETATM  111  H   UNL     1       2.739  -0.171  -2.264  1.00  0.00           H  
HETATM  112  H   UNL     1       1.878  -3.644   0.403  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.407  -0.922  -2.824  1.00  0.00           H  
CONECT    1    3    3   14   68                                       
CONECT    2   11   69   70   71                                       
CONECT    3    4    1    1   72                                       
CONECT    4    6    6    3   73                                       
CONECT    5   10   13   20   20                                       
CONECT    6    7    4    4   41                                       
CONECT    7    8   40    6   74                                       
CONECT    8    9    7   75   76                                       
CONECT    9   58    8   13   77                                       
CONECT   10   11   11    5   78                                       
CONECT   11    2   10   10   17                                       
CONECT   12   22   16   79                                            
CONECT   13    9    5   40                                            
CONECT   14   41   41    1   22                                       
CONECT   15   20   37   21                                            
CONECT   16   12   80   81   82                                       
CONECT   17   11   18   19   19                                       
CONECT   18   17   83   84   85                                       
CONECT   19   17   17   20   86                                       
CONECT   20    5    5   19   15                                       
CONECT   21   15   23   87   88                                       
CONECT   22   14   12   49   49                                       
CONECT   23   59   21   24   89                                       
CONECT   24   23   60   25   90                                       
CONECT   25   24   61   26   91                                       
CONECT   26   25   62   92   93                                       
CONECT   27   52   28   94   95                                       
CONECT   28   36   53   27   96                                       
CONECT   29   35   43   53   97                                       
CONECT   30   44   44   43   98                                       
CONECT   31   44   34   34   32                                       
CONECT   32   31   45   46   46                                       
CONECT   33   47   47   46   99                                       
CONECT   34   43   31   31   47                                       
CONECT   35   54   36   29  100                                       
CONECT   36   35   55   28  101                                       
CONECT   37   40   15   48   48                                       
CONECT   38   42   48   56   56                                       
CONECT   39   57   57   40   42                                       
CONECT   40   13    7   39   37                                       
CONECT   41    6   14   14  102                                       
CONECT   42   39   38  103                                            
CONECT   43   30   29   34                                            
CONECT   44   30   30   31                                            
CONECT   45   32  104  105                                            
CONECT   46   32   32   33                                            
CONECT   47   34   33   33                                            
CONECT   48   37   37   38                                            
CONECT   49   22   22                                                 
CONECT   50   67   67                                                 
CONECT   51   67  106                                                 
CONECT   52   67   27                                                 
CONECT   53   29   28                                                 
CONECT   54   35  107                                                 
CONECT   55   36  108                                                 
CONECT   56   38   38                                                 
CONECT   57   39   39                                                 
CONECT   58    9  109                                                 
CONECT   59   23  110                                                 
CONECT   60   24  111                                                 
CONECT   61   25  112                                                 
CONECT   62   26   66                                                 
CONECT   63   66  113                                                 
CONECT   64   66   66                                                 
CONECT   65   67   66                                                 
CONECT   66   62   65   64   64                                       
CONECT   66   63                                                      
CONECT   67   50   50   51   52                                       
CONECT   67   65                                                      
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    2                                                      
CONECT   71    2                                                      
CONECT   72    3                                                      
CONECT   73    4                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78   10                                                      
CONECT   79   12                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   18                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   33                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   41                                                      
CONECT  103   42                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   51                                                      
CONECT  107   54                                                      
CONECT  108   55                                                      
CONECT  109   58                                                      
CONECT  110   59                                                      
CONECT  111   60                                                      
CONECT  112   61                                                      
CONECT  113   63                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
