COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.091   0.748  -2.654  1.00  0.00           N  
HETATM    2  C   UNL     1       6.170   1.443  -0.431  1.00  0.00           C  
HETATM    3  N   UNL     1       3.634  -7.000   1.748  1.00  0.00           N  
HETATM    4  C   UNL     1       7.182  -0.652  -2.276  1.00  0.00           C  
HETATM    5  C   UNL     1       6.831  -1.576  -3.440  1.00  0.00           C  
HETATM    6  C   UNL     1       7.022  -3.031  -2.997  1.00  0.00           C  
HETATM    7  O   UNL     1       6.701   2.853  -2.210  1.00  0.00           O  
HETATM    8  O   UNL     1       3.202  -7.425  -0.386  1.00  0.00           O  
HETATM    9  C   UNL     1       6.565   0.039   0.028  1.00  0.00           C  
HETATM   10  C   UNL     1       6.673   1.705  -1.821  1.00  0.00           C  
HETATM   11  C   UNL     1       6.120  -3.332  -1.801  1.00  0.00           C  
HETATM   12  C   UNL     1       6.470  -2.386  -0.639  1.00  0.00           C  
HETATM   13  C   UNL     1       6.252  -0.947  -1.098  1.00  0.00           C  
HETATM   14  C   UNL     1       5.612  -2.671   0.589  1.00  0.00           C  
HETATM   15  C   UNL     1       5.718  -4.145   1.016  1.00  0.00           C  
HETATM   16  C   UNL     1       5.298  -4.990  -0.170  1.00  0.00           C  
HETATM   17  C   UNL     1       6.345  -4.749  -1.308  1.00  0.00           C  
HETATM   18  C   UNL     1       5.990  -5.865  -2.296  1.00  0.00           C  
HETATM   19  C   UNL     1       5.749  -7.087  -1.368  1.00  0.00           C  
HETATM   20  C   UNL     1       5.335  -6.503   0.023  1.00  0.00           C  
HETATM   21  C   UNL     1       3.905  -4.565  -0.640  1.00  0.00           C  
HETATM   22  C   UNL     1       4.800  -0.763  -1.547  1.00  0.00           C  
HETATM   23  C   UNL     1       3.981  -7.009   0.446  1.00  0.00           C  
HETATM   24  C   UNL     1       2.317  -7.492   2.160  1.00  0.00           C  
HETATM   25  C   UNL     1       2.170  -8.958   1.748  1.00  0.00           C  
HETATM   26  C   UNL     1       2.180  -7.372   3.679  1.00  0.00           C  
HETATM   27  C   UNL     1       1.227  -6.660   1.482  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.746  -4.580  -1.330  1.00  0.00           O  
HETATM   29  P   UNL     1      -8.975  -2.986  -1.339  1.00  0.00           P  
HETATM   30  O   UNL     1      -9.814  -2.572  -2.649  1.00  0.00           O  
HETATM   31  O   UNL     1      -9.724  -2.588  -0.127  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.548  -2.240  -1.358  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.412  -0.820  -1.265  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.538  -0.439  -0.049  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.383  -0.060   1.086  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.944  -0.914   2.001  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.938  -2.230   2.183  1.00  0.00           N  
HETATM   38  C   UNL     1      -8.594  -2.772   3.187  1.00  0.00           C  
HETATM   39  N   UNL     1      -9.283  -2.052   4.054  1.00  0.00           N  
HETATM   40  C   UNL     1      -9.348  -0.729   3.953  1.00  0.00           C  
HETATM   41  N   UNL     1     -10.072   0.017   4.867  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.663  -0.104   2.897  1.00  0.00           C  
HETATM   43  N   UNL     1      -8.505   1.178   2.490  1.00  0.00           N  
HETATM   44  C   UNL     1      -7.750   1.207   1.431  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.758   0.692  -0.495  1.00  0.00           O  
HETATM   46  C   UNL     1      -6.630  -0.271  -2.480  1.00  0.00           C  
HETATM   47  O   UNL     1      -6.263  -1.334  -3.361  1.00  0.00           O  
HETATM   48  C   UNL     1      -5.372   0.377  -1.851  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.997   1.653  -2.606  1.00  0.00           C  
HETATM   50  O   UNL     1      -3.771   2.171  -2.085  1.00  0.00           O  
HETATM   51  P   UNL     1      -3.076   3.511  -2.646  1.00  0.00           P  
HETATM   52  O   UNL     1      -2.617   3.279  -4.172  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.043   4.630  -2.587  1.00  0.00           O  
HETATM   54  O   UNL     1      -1.789   3.865  -1.747  1.00  0.00           O  
HETATM   55  P   UNL     1      -0.932   5.206  -1.499  1.00  0.00           P  
HETATM   56  O   UNL     1      -1.851   6.347  -1.291  1.00  0.00           O  
HETATM   57  O   UNL     1      -0.002   5.493  -2.782  1.00  0.00           O  
HETATM   58  O   UNL     1      -0.006   5.018  -0.196  1.00  0.00           O  
HETATM   59  C   UNL     1       0.796   6.069   0.347  1.00  0.00           C  
HETATM   60  C   UNL     1       1.546   5.554   1.577  1.00  0.00           C  
HETATM   61  C   UNL     1       2.353   6.697   2.232  1.00  0.00           C  
HETATM   62  O   UNL     1       1.637   7.244   3.342  1.00  0.00           O  
HETATM   63  C   UNL     1       3.654   6.013   2.707  1.00  0.00           C  
HETATM   64  O   UNL     1       3.785   6.117   4.127  1.00  0.00           O  
HETATM   65  C   UNL     1       3.479   4.538   2.284  1.00  0.00           C  
HETATM   66  O   UNL     1       2.535   4.575   1.191  1.00  0.00           O  
HETATM   67  N   UNL     1       4.757   3.979   1.835  1.00  0.00           N  
HETATM   68  C   UNL     1       5.401   4.520   0.730  1.00  0.00           C  
HETATM   69  C   UNL     1       6.340   3.851   0.100  1.00  0.00           C  
HETATM   70  C   UNL     1       6.758   2.475   0.533  1.00  0.00           C  
HETATM   71  C   UNL     1       6.275   2.182   1.925  1.00  0.00           C  
HETATM   72  C   UNL     1       5.317   2.929   2.507  1.00  0.00           C  
HETATM   73  C   UNL     1       6.847   1.106   2.644  1.00  0.00           C  
HETATM   74  O   UNL     1       7.804   0.509   2.187  1.00  0.00           O  
HETATM   75  N   UNL     1       6.331   0.742   3.835  1.00  0.00           N  
HETATM   76  H   UNL     1       7.352   1.001  -3.553  1.00  0.00           H  
HETATM   77  H   UNL     1       5.083   1.530  -0.432  1.00  0.00           H  
HETATM   78  H   UNL     1       4.257  -6.667   2.414  1.00  0.00           H  
HETATM   79  H   UNL     1       8.203  -0.864  -1.958  1.00  0.00           H  
HETATM   80  H   UNL     1       5.793  -1.417  -3.732  1.00  0.00           H  
HETATM   81  H   UNL     1       7.486  -1.363  -4.285  1.00  0.00           H  
HETATM   82  H   UNL     1       6.765  -3.697  -3.821  1.00  0.00           H  
HETATM   83  H   UNL     1       8.062  -3.189  -2.714  1.00  0.00           H  
HETATM   84  H   UNL     1       7.631   0.012   0.251  1.00  0.00           H  
HETATM   85  H   UNL     1       5.996  -0.230   0.918  1.00  0.00           H  
HETATM   86  H   UNL     1       5.076  -3.205  -2.088  1.00  0.00           H  
HETATM   87  H   UNL     1       7.519  -2.519  -0.377  1.00  0.00           H  
HETATM   88  H   UNL     1       5.944  -2.037   1.411  1.00  0.00           H  
HETATM   89  H   UNL     1       4.572  -2.440   0.359  1.00  0.00           H  
HETATM   90  H   UNL     1       6.747  -4.378   1.292  1.00  0.00           H  
HETATM   91  H   UNL     1       5.055  -4.335   1.860  1.00  0.00           H  
HETATM   92  H   UNL     1       7.364  -4.864  -0.938  1.00  0.00           H  
HETATM   93  H   UNL     1       5.084  -5.616  -2.850  1.00  0.00           H  
HETATM   94  H   UNL     1       6.819  -6.056  -2.978  1.00  0.00           H  
HETATM   95  H   UNL     1       4.932  -7.695  -1.756  1.00  0.00           H  
HETATM   96  H   UNL     1       6.657  -7.684  -1.293  1.00  0.00           H  
HETATM   97  H   UNL     1       6.087  -6.770   0.766  1.00  0.00           H  
HETATM   98  H   UNL     1       3.916  -3.504  -0.894  1.00  0.00           H  
HETATM   99  H   UNL     1       3.625  -5.146  -1.519  1.00  0.00           H  
HETATM  100  H   UNL     1       3.183  -4.740   0.157  1.00  0.00           H  
HETATM  101  H   UNL     1       4.657   0.256  -1.906  1.00  0.00           H  
HETATM  102  H   UNL     1       4.577  -1.466  -2.350  1.00  0.00           H  
HETATM  103  H   UNL     1       4.134  -0.950  -0.705  1.00  0.00           H  
HETATM  104  H   UNL     1       2.946  -9.551   2.232  1.00  0.00           H  
HETATM  105  H   UNL     1       1.190  -9.325   2.055  1.00  0.00           H  
HETATM  106  H   UNL     1       2.268  -9.044   0.666  1.00  0.00           H  
HETATM  107  H   UNL     1       2.285  -6.328   3.972  1.00  0.00           H  
HETATM  108  H   UNL     1       1.200  -7.739   3.985  1.00  0.00           H  
HETATM  109  H   UNL     1       2.957  -7.965   4.162  1.00  0.00           H  
HETATM  110  H   UNL     1       1.325  -6.745   0.400  1.00  0.00           H  
HETATM  111  H   UNL     1       0.247  -7.026   1.788  1.00  0.00           H  
HETATM  112  H   UNL     1       1.332  -5.615   1.775  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.564  -5.095  -1.319  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.382  -2.803  -3.483  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.391  -0.347  -1.196  1.00  0.00           H  
HETATM  116  H   UNL     1      -5.886  -1.268   0.224  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.569  -3.845   3.307  1.00  0.00           H  
HETATM  118  H   UNL     1     -10.541  -0.426   5.591  1.00  0.00           H  
HETATM  119  H   UNL     1     -10.111   0.982   4.782  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.460   2.102   0.900  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.222   0.476  -3.009  1.00  0.00           H  
HETATM  122  H   UNL     1      -5.770  -1.045  -4.141  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.540  -0.327  -1.857  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.875   1.427  -3.665  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.786   2.395  -2.481  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.982   2.559  -4.287  1.00  0.00           H  
HETATM  127  H   UNL     1       0.626   4.784  -2.978  1.00  0.00           H  
HETATM  128  H   UNL     1       1.513   6.403  -0.403  1.00  0.00           H  
HETATM  129  H   UNL     1       0.156   6.903   0.634  1.00  0.00           H  
HETATM  130  H   UNL     1       0.846   5.124   2.295  1.00  0.00           H  
HETATM  131  H   UNL     1       2.575   7.475   1.502  1.00  0.00           H  
HETATM  132  H   UNL     1       2.099   7.966   3.790  1.00  0.00           H  
HETATM  133  H   UNL     1       4.520   6.453   2.212  1.00  0.00           H  
HETATM  134  H   UNL     1       3.839   7.027   4.451  1.00  0.00           H  
HETATM  135  H   UNL     1       3.079   3.954   3.112  1.00  0.00           H  
HETATM  136  H   UNL     1       5.126   5.506   0.384  1.00  0.00           H  
HETATM  137  H   UNL     1       6.824   4.302  -0.754  1.00  0.00           H  
HETATM  138  H   UNL     1       4.984   2.691   3.506  1.00  0.00           H  
HETATM  139  H   UNL     1       5.525   1.169   4.166  1.00  0.00           H  
HETATM  140  H   UNL     1       6.766   0.053   4.361  1.00  0.00           H  
HETATM  141  H   UNL     1       7.846   2.407   0.511  1.00  0.00           H  
CONECT    1   10    4   76                                            
CONECT    2   10   70    9   77                                       
CONECT    3   23   24   78                                            
CONECT    4    1   13    5   79                                       
CONECT    5    4    6   80   81                                       
CONECT    6    5   11   82   83                                       
CONECT    7   10   10                                                 
CONECT    8   23   23                                                 
CONECT    9    2   13   84   85                                       
CONECT   10    7    7    2    1                                       
CONECT   11   12    6   17   86                                       
CONECT   12   13   14   11   87                                       
CONECT   13   22    9    4   12                                       
CONECT   14   12   15   88   89                                       
CONECT   15   14   16   90   91                                       
CONECT   16   21   15   17   20                                       
CONECT   17   11   16   18   92                                       
CONECT   18   17   19   93   94                                       
CONECT   19   18   20   95   96                                       
CONECT   20   16   23   19   97                                       
CONECT   21   16   98   99  100                                       
CONECT   22   13  101  102  103                                       
CONECT   23    8    8   20    3                                       
CONECT   24   27    3   25   26                                       
CONECT   25   24  104  105  106                                       
CONECT   26   24  107  108  109                                       
CONECT   27   24  110  111  112                                       
CONECT   28   29  113                                                 
CONECT   29   31   31   32   30                                       
CONECT   29   28                                                      
CONECT   30   29  114                                                 
CONECT   31   29   29                                                 
CONECT   32   33   29                                                 
CONECT   33   46   34   32  115                                       
CONECT   34   45   33   35  116                                       
CONECT   35   34   44   36                                            
CONECT   36   35   37   42   42                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   39  117                                       
CONECT   39   38   40   40                                            
CONECT   40   42   39   39   41                                       
CONECT   41   40  118  119                                            
CONECT   42   43   36   36   40                                       
CONECT   43   44   44   42                                            
CONECT   44   35   43   43  120                                       
CONECT   45   48   34                                                 
CONECT   46   48   47   33  121                                       
CONECT   47   46  122                                                 
CONECT   48   49   46   45  123                                       
CONECT   49   48   50  124  125                                       
CONECT   50   49   51                                                 
CONECT   51   54   53   53   50                                       
CONECT   51   52                                                      
CONECT   52   51  126                                                 
CONECT   53   51   51                                                 
CONECT   54   55   51                                                 
CONECT   55   58   56   56   57                                       
CONECT   55   54                                                      
CONECT   56   55   55                                                 
CONECT   57   55  127                                                 
CONECT   58   59   55                                                 
CONECT   59   60   58  128  129                                       
CONECT   60   66   61   59  130                                       
CONECT   61   62   63   60  131                                       
CONECT   62   61  132                                                 
CONECT   63   65   64   61  133                                       
CONECT   64   63  134                                                 
CONECT   65   67   66   63  135                                       
CONECT   66   65   60                                                 
CONECT   67   72   65   68                                            
CONECT   68   67   69   69  136                                       
CONECT   69   70   68   68  137                                       
CONECT   70   71    2   69  141                                       
CONECT   71   73   72   72   70                                       
CONECT   72   71   71   67  138                                       
CONECT   73   75   74   74   71                                       
CONECT   74   73   73                                                 
CONECT   75   73  139  140                                            
CONECT   76    1                                                      
CONECT   77    2                                                      
CONECT   78    3                                                      
CONECT   79    4                                                      
CONECT   80    5                                                      
CONECT   81    5                                                      
CONECT   82    6                                                      
CONECT   83    6                                                      
CONECT   84    9                                                      
CONECT   85    9                                                      
CONECT   86   11                                                      
CONECT   87   12                                                      
CONECT   88   14                                                      
CONECT   89   14                                                      
CONECT   90   15                                                      
CONECT   91   15                                                      
CONECT   92   17                                                      
CONECT   93   18                                                      
CONECT   94   18                                                      
CONECT   95   19                                                      
CONECT   96   19                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   21                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   22                                                      
CONECT  104   25                                                      
CONECT  105   25                                                      
CONECT  106   25                                                      
CONECT  107   26                                                      
CONECT  108   26                                                      
CONECT  109   26                                                      
CONECT  110   27                                                      
CONECT  111   27                                                      
CONECT  112   27                                                      
CONECT  113   28                                                      
CONECT  114   30                                                      
CONECT  115   33                                                      
CONECT  116   34                                                      
CONECT  117   38                                                      
CONECT  118   41                                                      
CONECT  119   41                                                      
CONECT  120   44                                                      
CONECT  121   46                                                      
CONECT  122   47                                                      
CONECT  123   48                                                      
CONECT  124   49                                                      
CONECT  125   49                                                      
CONECT  126   52                                                      
CONECT  127   57                                                      
CONECT  128   59                                                      
CONECT  129   59                                                      
CONECT  130   60                                                      
CONECT  131   61                                                      
CONECT  132   62                                                      
CONECT  133   63                                                      
CONECT  134   64                                                      
CONECT  135   65                                                      
CONECT  136   68                                                      
CONECT  137   69                                                      
CONECT  138   72                                                      
CONECT  139   75                                                      
CONECT  140   75                                                      
CONECT  141   70                                                      
MASTER        0    0    0    0    0    0    0    0  141    0  141    0
END
