COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.043   3.733   0.571  1.00  0.00           C  
HETATM    2  O   UNL     1      11.467   3.066   1.492  1.00  0.00           O  
HETATM    3  C   UNL     1      11.919   4.782  -0.064  1.00  0.00           C  
HETATM    4  N   UNL     1       9.792   3.531   0.112  1.00  0.00           N  
HETATM    5  CA  UNL     1       8.943   2.507   0.726  1.00  0.00           C  
HETATM    6  C   UNL     1       7.911   2.046  -0.271  1.00  0.00           C  
HETATM    7  O   UNL     1       7.887   2.527  -1.384  1.00  0.00           O  
HETATM    8  C   UNL     1       8.242   3.093   1.952  1.00  0.00           C  
HETATM    9  O   UNL     1       7.347   4.128   1.540  1.00  0.00           O  
HETATM   10  N   UNL     1       7.015   1.101   0.075  1.00  0.00           N  
HETATM   11  C   UNL     1       5.944   0.732  -0.855  1.00  0.00           C  
HETATM   12  C   UNL     1       4.747   0.250  -0.076  1.00  0.00           C  
HETATM   13  O   UNL     1       4.867  -0.056   1.092  1.00  0.00           O  
HETATM   14  C   UNL     1       6.434  -0.383  -1.780  1.00  0.00           C  
HETATM   15  C   UNL     1       5.381  -0.651  -2.858  1.00  0.00           C  
HETATM   16  C   UNL     1       5.265   0.571  -3.771  1.00  0.00           C  
HETATM   17  C   UNL     1       5.797  -1.868  -3.686  1.00  0.00           C  
HETATM   18  N   UNL     1       3.545   0.157  -0.677  1.00  0.00           N  
HETATM   19  C   UNL     1       2.356  -0.178   0.110  1.00  0.00           C  
HETATM   20  C   UNL     1       2.081  -1.656   0.002  1.00  0.00           C  
HETATM   21  O   UNL     1       2.807  -2.359  -0.668  1.00  0.00           O  
HETATM   22  C   UNL     1       1.154   0.605  -0.423  1.00  0.00           C  
HETATM   23  C   UNL     1       1.360   2.076  -0.168  1.00  0.00           C  
HETATM   24  O   UNL     1       2.402   2.468   0.312  1.00  0.00           O  
HETATM   25  N   UNL     1       0.385   2.955  -0.474  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.724  -3.894   0.797  1.00  0.00           C  
HETATM   27  N   UNL     1       1.029  -2.195   0.648  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.070  -3.440   2.107  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.649  -1.610   0.071  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.986  -3.395   0.003  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.549  -1.695   1.276  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.337  -4.797  -0.308  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.559  -3.142  -0.241  1.00  0.00           C  
HETATM   34  C   UNL     1       5.746  -3.934   0.665  1.00  0.00           C  
HETATM   35  C   UNL     1       3.776  -3.167   1.788  1.00  0.00           C  
HETATM   36  C   UNL     1       3.689  -5.137   0.431  1.00  0.00           C  
HETATM   37  C   UNL     1       0.762  -3.631   0.543  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.828  -2.507  -0.819  1.00  0.00           C  
HETATM   39  C   UNL     1       1.598  -4.383   1.580  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.758  -3.407  -1.659  1.00  0.00           C  
HETATM   41  C   UNL     1       5.118  -3.021   1.491  1.00  0.00           C  
HETATM   42  C   UNL     1       5.032  -4.992   0.134  1.00  0.00           C  
HETATM   43  C   UNL     1       3.061  -4.225   1.257  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.786  -4.731  -0.850  1.00  0.00           C  
HETATM   45  N   UNL     1      -5.495  -0.712  -0.473  1.00  0.00           N  
HETATM   46  C   UNL     1      -6.200   0.243   0.385  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.543   0.564  -0.218  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.889   0.026  -1.248  1.00  0.00           O  
HETATM   49  C   UNL     1      -5.375   1.526   0.505  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.032   2.044  -0.893  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.084   1.232   1.271  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.296   2.593  -1.559  1.00  0.00           C  
HETATM   53  N   UNL     1      -8.359   1.449   0.387  1.00  0.00           N  
HETATM   54  C   UNL     1      -9.617   1.843  -0.254  1.00  0.00           C  
HETATM   55  C   UNL     1     -10.028   3.206   0.242  1.00  0.00           C  
HETATM   56  O   UNL     1      -9.341   3.788   1.047  1.00  0.00           O  
HETATM   57  C   UNL     1     -10.706   0.825   0.091  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.986   0.869   1.595  1.00  0.00           C  
HETATM   59  C   UNL     1     -11.984   1.166  -0.676  1.00  0.00           C  
HETATM   60  C   UNL     1     -11.490   5.086   0.308  1.00  0.00           C  
HETATM   61  O   UNL     1     -11.157   3.772  -0.212  1.00  0.00           O  
HETATM   62  H   UNL     1      12.889   4.796   0.434  1.00  0.00           H  
HETATM   63  H   UNL     1      12.056   4.550  -1.120  1.00  0.00           H  
HETATM   64  H   UNL     1      11.446   5.759   0.035  1.00  0.00           H  
HETATM   65  H   UNL     1       9.454   4.064  -0.624  1.00  0.00           H  
HETATM   66  HA  UNL     1       9.558   1.659   1.030  1.00  0.00           H  
HETATM   67  H1  UNL     1       7.680   2.309   2.460  1.00  0.00           H  
HETATM   68  H2  UNL     1       8.986   3.507   2.634  1.00  0.00           H  
HETATM   69  H   UNL     1       6.867   4.547   2.267  1.00  0.00           H  
HETATM   70  H   UNL     1       7.079   0.665   0.939  1.00  0.00           H  
HETATM   71  H   UNL     1       5.664   1.601  -1.450  1.00  0.00           H  
HETATM   72  H   UNL     1       7.368  -0.080  -2.252  1.00  0.00           H  
HETATM   73  H   UNL     1       6.598  -1.291  -1.200  1.00  0.00           H  
HETATM   74  H   UNL     1       4.419  -0.844  -2.385  1.00  0.00           H  
HETATM   75  H   UNL     1       4.465   0.410  -4.494  1.00  0.00           H  
HETATM   76  H   UNL     1       5.040   1.453  -3.171  1.00  0.00           H  
HETATM   77  H   UNL     1       6.207   0.722  -4.299  1.00  0.00           H  
HETATM   78  H   UNL     1       5.880  -2.739  -3.035  1.00  0.00           H  
HETATM   79  H   UNL     1       5.048  -2.059  -4.454  1.00  0.00           H  
HETATM   80  H   UNL     1       6.760  -1.675  -4.159  1.00  0.00           H  
HETATM   81  H   UNL     1       3.467   0.313  -1.632  1.00  0.00           H  
HETATM   82  H   UNL     1       2.526   0.084   1.154  1.00  0.00           H  
HETATM   83  H   UNL     1       1.054   0.432  -1.494  1.00  0.00           H  
HETATM   84  H   UNL     1       0.249   0.271   0.085  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.449   2.641  -0.857  1.00  0.00           H  
HETATM   86  H   UNL     1       0.517   3.902  -0.310  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.922  -4.963   0.718  1.00  0.00           H  
HETATM   88  H   UNL     1       0.448  -1.632   1.184  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.919  -2.496   2.249  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.665  -5.197  -1.067  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.297  -5.407   0.595  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.361  -2.074  -0.162  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.295  -3.489  -1.240  1.00  0.00           H  
HETATM   94  H   UNL     1       6.794  -3.818   0.430  1.00  0.00           H  
HETATM   95  H   UNL     1       3.285  -2.454   2.434  1.00  0.00           H  
HETATM   96  H   UNL     1       3.131  -5.964   0.016  1.00  0.00           H  
HETATM   97  H   UNL     1       1.026  -3.977  -0.457  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.200  -1.904  -1.475  1.00  0.00           H  
HETATM   99  H   UNL     1       1.399  -3.976   2.572  1.00  0.00           H  
HETATM  100  H   UNL     1       1.334  -5.440   1.562  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.756  -2.975  -1.725  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.343  -3.569  -2.654  1.00  0.00           H  
HETATM  103  H   UNL     1       5.676  -2.195   1.906  1.00  0.00           H  
HETATM  104  H   UNL     1       5.523  -5.705  -0.511  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.999  -5.581  -1.499  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.506  -4.675  -0.034  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.637  -0.699  -1.433  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.341  -0.192   1.374  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.952   2.280   1.040  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.289   2.838  -0.815  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.630   1.228  -1.495  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.452   0.571   0.678  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.554   2.166   1.462  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.325   0.751   2.219  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.959   1.767  -1.814  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.804   3.268  -0.871  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.024   3.134  -2.464  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.115   1.826   1.247  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.479   1.875  -1.334  1.00  0.00           H  
HETATM  120  H   UNL     1     -10.370  -0.174  -0.187  1.00  0.00           H  
HETATM  121  H   UNL     1     -11.322   1.868   1.873  1.00  0.00           H  
HETATM  122  H   UNL     1     -11.762   0.144   1.841  1.00  0.00           H  
HETATM  123  H   UNL     1     -10.075   0.626   2.142  1.00  0.00           H  
HETATM  124  H   UNL     1     -12.760   0.441  -0.430  1.00  0.00           H  
HETATM  125  H   UNL     1     -12.320   2.165  -0.398  1.00  0.00           H  
HETATM  126  H   UNL     1     -11.784   1.135  -1.747  1.00  0.00           H  
HETATM  127  H   UNL     1     -10.692   5.787   0.064  1.00  0.00           H  
HETATM  128  H   UNL     1     -12.424   5.428  -0.139  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.606   5.029   1.391  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   62   63   64                                       
CONECT    4    5   65    1                                            
CONECT    5    4    6    8   66                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   67   68                                       
CONECT    9    8   69                                                 
CONECT   10   11   70    6                                            
CONECT   11   10   12   14   71                                       
CONECT   12   11   13   13   18                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   72   73                                       
CONECT   15   14   16   17   74                                       
CONECT   16   15   75   76   77                                       
CONECT   17   15   78   79   80                                       
CONECT   18   19   81   12                                            
CONECT   19   18   20   22   82                                       
CONECT   20   19   21   21   27                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   83   84                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   85   86                                            
CONECT   26   28   87   33   37                                       
CONECT   27   37   88   20                                            
CONECT   28   26   89                                                 
CONECT   29   38   31   31   45                                       
CONECT   30   38   32   33                                            
CONECT   31   29   29                                                 
CONECT   32   30   44   90   91                                       
CONECT   33   26   30   92   93                                       
CONECT   34   41   41   42   94                                       
CONECT   35   43   43   95   41                                       
CONECT   36   43   96   42   42                                       
CONECT   37   27   26   39   97                                       
CONECT   38   29   30   40   98                                       
CONECT   39   37   99  100   43                                       
CONECT   40   38  101  102   44                                       
CONECT   41   34   34   35  103                                       
CONECT   42   34   36   36  104                                       
CONECT   43   35   35   36   39                                       
CONECT   44   32   40  105  106                                       
CONECT   45   46  107   29                                            
CONECT   46   45   47   49  108                                       
CONECT   47   46   48   48   53                                       
CONECT   48   47   47                                                 
CONECT   49   46   50   51  109                                       
CONECT   50   49   52  110  111                                       
CONECT   51   49  112  113  114                                       
CONECT   52   50  115  116  117                                       
CONECT   53   54  118   47                                            
CONECT   54   53   55   57  119                                       
CONECT   55   54   56   56   61                                       
CONECT   56   55   55                                                 
CONECT   57   54   58   59  120                                       
CONECT   58   57  121  122  123                                       
CONECT   59   57  124  125  126                                       
CONECT   60   61  127  128  129                                       
CONECT   61   55   60                                                 
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   19                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   39                                                      
CONECT  100   39                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   44                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
CONECT  113   51                                                      
CONECT  114   51                                                      
CONECT  115   52                                                      
CONECT  116   52                                                      
CONECT  117   52                                                      
CONECT  118   53                                                      
CONECT  119   54                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   58                                                      
CONECT  123   58                                                      
CONECT  124   59                                                      
CONECT  125   59                                                      
CONECT  126   59                                                      
CONECT  127   60                                                      
CONECT  128   60                                                      
CONECT  129   60                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
