COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.833   0.502  -0.409  1.00  0.00           C  
HETATM    2  O   UNL     1       3.797   1.559   0.552  1.00  0.00           O  
HETATM    3  C   UNL     1       1.389   5.035   0.722  1.00  0.00           C  
HETATM    4  N   UNL     1       0.639   6.219   0.281  1.00  0.00           N  
HETATM    5  C   UNL     1       0.011   0.760   0.622  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.444  -3.542  -0.294  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.246   0.497  -1.664  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.688   2.868   0.113  1.00  0.00           C  
HETATM    9  C   UNL     1       4.488  -0.733   0.215  1.00  0.00           C  
HETATM   10  N   UNL     1       3.744  -1.127   1.419  1.00  0.00           N  
HETATM   11  C   UNL     1       2.861   5.191   0.335  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.581  -0.406  -0.194  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.972  -0.189  -0.441  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.810  -4.219  -0.431  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.236  -4.735   0.877  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.757   0.674  -1.823  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.261   1.556  -0.762  1.00  0.00           N  
HETATM   18  C   UNL     1      -8.556   2.008   0.759  1.00  0.00           C  
HETATM   19  C   UNL     1       5.934  -0.399   0.593  1.00  0.00           C  
HETATM   20  O   UNL     1       6.575  -1.567   1.109  1.00  0.00           O  
HETATM   21  C   UNL     1       3.642   3.958   0.795  1.00  0.00           C  
HETATM   22  N   UNL     1       5.056   4.108   0.424  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.378  -1.645   0.711  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.526  -2.496   0.676  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.700  -5.377  -1.428  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.349  -4.867  -2.716  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.712   1.748  -0.883  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.922   2.189   0.645  1.00  0.00           C  
HETATM   29  C   UNL     1       6.677   0.084  -0.656  1.00  0.00           C  
HETATM   30  O   UNL     1       8.008   0.467  -0.302  1.00  0.00           O  
HETATM   31  C   UNL     1       3.068   2.710   0.122  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.211  -1.000   2.111  1.00  0.00           C  
HETATM   33  O   UNL     1       0.537   0.205   1.839  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.616  -6.347  -0.948  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.998  -6.906   0.311  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.199   2.671   0.237  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.420   3.231  -0.114  1.00  0.00           C  
HETATM   38  C   UNL     1       5.938   1.288  -1.247  1.00  0.00           C  
HETATM   39  O   UNL     1       4.591   0.917  -1.547  1.00  0.00           O  
HETATM   40  C   UNL     1       1.595   2.555   0.509  1.00  0.00           C  
HETATM   41  O   UNL     1       1.059   1.389  -0.119  1.00  0.00           O  
HETATM   42  C   UNL     1       0.578  -1.925   3.039  1.00  0.00           C  
HETATM   43  O   UNL     1       0.620  -1.361   4.352  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.296  -5.588  -0.791  1.00  0.00           C  
HETATM   45  O   UNL     1      -0.476  -4.506   0.125  1.00  0.00           O  
HETATM   46  C   UNL     1      -9.552   4.093  -0.760  1.00  0.00           C  
HETATM   47  C   UNL     1       6.641   1.739  -2.529  1.00  0.00           C  
HETATM   48  O   UNL     1       6.015   2.925  -3.023  1.00  0.00           O  
HETATM   49  C   UNL     1       0.814   3.787   0.050  1.00  0.00           C  
HETATM   50  O   UNL     1      -0.561   3.641   0.411  1.00  0.00           O  
HETATM   51  C   UNL     1       0.778  -6.537  -0.254  1.00  0.00           C  
HETATM   52  N   UNL     1       2.057  -5.822  -0.154  1.00  0.00           N  
HETATM   53  C   UNL     1      -8.186   3.907  -0.652  1.00  0.00           C  
HETATM   54  H   UNL     1       2.817   0.257  -0.719  1.00  0.00           H  
HETATM   55  H   UNL     1       1.306   4.936   1.804  1.00  0.00           H  
HETATM   56  H   UNL     1       1.000   7.057   0.711  1.00  0.00           H  
HETATM   57  H   UNL     1       0.646   6.297  -0.725  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.770   1.485   0.852  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.147  -3.123  -1.256  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.765   1.475  -1.648  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.858  -0.084  -2.501  1.00  0.00           H  
HETATM   62  H   UNL     1       4.478  -1.553  -0.503  1.00  0.00           H  
HETATM   63  H   UNL     1       2.785  -1.347   1.197  1.00  0.00           H  
HETATM   64  H   UNL     1       4.194  -1.901   1.885  1.00  0.00           H  
HETATM   65  H   UNL     1       2.944   5.291  -0.747  1.00  0.00           H  
HETATM   66  H   UNL     1       3.270   6.080   0.814  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.043  -0.525  -1.135  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.541  -3.495  -0.792  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.311  -3.990   1.553  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.104  -5.242   0.800  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.971   1.116  -2.796  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.246  -0.298  -1.750  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.018   1.199   0.150  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.167   1.194   1.352  1.00  0.00           H  
HETATM   75  H   UNL     1       5.942   0.385   1.349  1.00  0.00           H  
HETATM   76  H   UNL     1       7.496  -1.428   1.368  1.00  0.00           H  
HETATM   77  H   UNL     1       3.560   3.859   1.877  1.00  0.00           H  
HETATM   78  H   UNL     1       5.432   4.977   0.774  1.00  0.00           H  
HETATM   79  H   UNL     1       5.600   3.322   0.747  1.00  0.00           H  
HETATM   80  H   UNL     1       0.519  -2.193   0.425  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.656  -5.897  -1.489  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.262  -5.547  -3.398  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.940   2.199  -1.849  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.215   0.784  -0.804  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.599   1.517   1.150  1.00  0.00           H  
HETATM   86  H   UNL     1       6.714  -0.719  -1.392  1.00  0.00           H  
HETATM   87  H   UNL     1       8.537   0.785  -1.046  1.00  0.00           H  
HETATM   88  H   UNL     1       3.150   2.810  -0.960  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.182  -0.760   2.542  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.493  -7.146  -1.679  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.830  -7.398   0.286  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.697   3.635   0.158  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.972   2.220   1.203  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.486   3.373  -0.204  1.00  0.00           H  
HETATM   95  H   UNL     1       5.939   2.104  -0.525  1.00  0.00           H  
HETATM   96  H   UNL     1       1.513   2.455   1.592  1.00  0.00           H  
HETATM   97  H   UNL     1       0.093  -2.900   3.078  1.00  0.00           H  
HETATM   98  H   UNL     1       1.594  -2.039   2.661  1.00  0.00           H  
HETATM   99  H   UNL     1       1.105  -1.895   4.995  1.00  0.00           H  
HETATM  100  H   UNL     1       0.016  -5.196  -1.759  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.941   4.906  -1.353  1.00  0.00           H  
HETATM  102  H   UNL     1       7.690   1.944  -2.315  1.00  0.00           H  
HETATM  103  H   UNL     1       6.570   0.952  -3.279  1.00  0.00           H  
HETATM  104  H   UNL     1       6.410   3.269  -3.836  1.00  0.00           H  
HETATM  105  H   UNL     1       0.897   3.887  -1.033  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.117   4.388   0.150  1.00  0.00           H  
HETATM  107  H   UNL     1       0.484  -6.897   0.732  1.00  0.00           H  
HETATM  108  H   UNL     1       0.887  -7.383  -0.933  1.00  0.00           H  
HETATM  109  H   UNL     1       1.989  -5.048   0.490  1.00  0.00           H  
HETATM  110  H   UNL     1       2.802  -6.449   0.112  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.508   4.579  -1.157  1.00  0.00           H  
CONECT    1    2    9   39   54                                       
CONECT    2    1   31                                                 
CONECT    3    4   11   49   55                                       
CONECT    4    3   56   57                                            
CONECT    5   12   33   41   58                                       
CONECT    6   14   24   45   59                                       
CONECT    7   13   16   60   61                                       
CONECT    8   18   18   36   53                                       
CONECT    9    1   10   19   62                                       
CONECT   10    9   63   64                                            
CONECT   11    3   21   65   66                                       
CONECT   12    5   13   23   67                                       
CONECT   13    7   12                                                 
CONECT   14    6   15   25   68                                       
CONECT   15   14   69   70                                            
CONECT   16    7   17   71   72                                       
CONECT   17   16   27   73                                            
CONECT   18    8    8   28   74                                       
CONECT   19    9   20   29   75                                       
CONECT   20   19   76                                                 
CONECT   21   11   22   31   77                                       
CONECT   22   21   78   79                                            
CONECT   23   12   24   32   80                                       
CONECT   24    6   23                                                 
CONECT   25   14   26   34   81                                       
CONECT   26   25   82                                                 
CONECT   27   17   36   83   84                                       
CONECT   28   18   37   37   85                                       
CONECT   29   19   30   38   86                                       
CONECT   30   29   87                                                 
CONECT   31    2   21   40   88                                       
CONECT   32   23   33   42   89                                       
CONECT   33    5   32                                                 
CONECT   34   25   35   44   90                                       
CONECT   35   34   91                                                 
CONECT   36    8   27   92   93                                       
CONECT   37   28   28   46   94                                       
CONECT   38   29   39   47   95                                       
CONECT   39    1   38                                                 
CONECT   40   31   41   49   96                                       
CONECT   41    5   40                                                 
CONECT   42   32   43   97   98                                       
CONECT   43   42   99                                                 
CONECT   44   34   45   51  100                                       
CONECT   45    6   44                                                 
CONECT   46   37   53   53  101                                       
CONECT   47   38   48  102  103                                       
CONECT   48   47  104                                                 
CONECT   49    3   40   50  105                                       
CONECT   50   49  106                                                 
CONECT   51   44   52  107  108                                       
CONECT   52   51  109  110                                            
CONECT   53    8   46   46  111                                       
CONECT   54    1                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   40                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   52                                                      
CONECT  111   53                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
