COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.310  -2.165  -5.463  1.00  0.00           N  
HETATM    2  N   UNL     1       0.290  -1.045  -3.517  1.00  0.00           N  
HETATM    3  C   UNL     1       0.833  -1.077  -4.877  1.00  0.00           C  
HETATM    4  C   UNL     1       1.920  -2.149  -4.967  1.00  0.00           C  
HETATM    5  C   UNL     1       3.025  -1.828  -3.994  1.00  0.00           C  
HETATM    6  C   UNL     1       4.216  -1.019  -4.264  1.00  0.00           C  
HETATM    7  C   UNL     1       3.106  -2.233  -2.717  1.00  0.00           C  
HETATM    8  N   UNL     1       4.250  -1.745  -2.145  1.00  0.00           N  
HETATM    9  C   UNL     1       4.950  -0.996  -3.063  1.00  0.00           C  
HETATM   10  C   UNL     1       4.688  -0.329  -5.382  1.00  0.00           C  
HETATM   11  C   UNL     1       6.148  -0.291  -3.011  1.00  0.00           C  
HETATM   12  C   UNL     1       5.868   0.355  -5.308  1.00  0.00           C  
HETATM   13  C   UNL     1       6.598   0.377  -4.128  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.271  -1.399  -5.851  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.225  -0.968  -6.984  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.083   1.137  -3.641  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.186   0.108  -3.009  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.988   1.138  -1.652  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.286   1.260  -3.593  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.270   0.354  -3.242  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.226  -0.021  -4.167  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.199   0.508  -5.443  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.215   1.414  -5.795  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.262   1.793  -4.868  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.848   0.118  -1.655  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.046   0.722  -2.676  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.244   1.669  -2.585  1.00  0.00           C  
HETATM   28  C   UNL     1       0.180   0.500  -0.588  1.00  0.00           C  
HETATM   29  P   UNL     1      -0.619   0.513   1.049  1.00  0.00           P  
HETATM   30  O   UNL     1      -1.301  -0.780   1.276  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.699   1.706   1.110  1.00  0.00           O  
HETATM   32  N   UNL     1       0.018   0.662   3.661  1.00  0.00           N  
HETATM   33  C   UNL     1       0.641   0.769   2.340  1.00  0.00           C  
HETATM   34  C   UNL     1       1.260   2.160   2.179  1.00  0.00           C  
HETATM   35  C   UNL     1       2.393   2.322   3.160  1.00  0.00           C  
HETATM   36  C   UNL     1       3.690   2.052   2.768  1.00  0.00           C  
HETATM   37  C   UNL     1       2.134   2.746   4.450  1.00  0.00           C  
HETATM   38  C   UNL     1       4.729   2.201   3.667  1.00  0.00           C  
HETATM   39  C   UNL     1       3.173   2.890   5.351  1.00  0.00           C  
HETATM   40  C   UNL     1       4.471   2.620   4.959  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.047  -0.533   4.280  1.00  0.00           C  
HETATM   42  O   UNL     1       0.410  -1.521   3.742  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.620  -0.631   5.494  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.691  -1.919   6.161  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.374  -1.758   7.495  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.747  -1.893   7.589  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.373  -1.745   8.812  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.628  -1.461   9.941  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.255  -1.327   9.847  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.628  -1.479   8.624  1.00  0.00           C  
HETATM   51  H   UNL     1      -2.021  -2.372  -6.089  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.345  -2.512  -4.558  1.00  0.00           H  
HETATM   53  H   UNL     1       0.275  -1.854  -2.982  1.00  0.00           H  
HETATM   54  H   UNL     1       1.260  -0.105  -5.121  1.00  0.00           H  
HETATM   55  H   UNL     1       1.493  -3.122  -4.724  1.00  0.00           H  
HETATM   56  H   UNL     1       2.324  -2.173  -5.980  1.00  0.00           H  
HETATM   57  H   UNL     1       2.377  -2.852  -2.215  1.00  0.00           H  
HETATM   58  H   UNL     1       4.526  -1.904  -1.228  1.00  0.00           H  
HETATM   59  H   UNL     1       4.125  -0.341  -6.303  1.00  0.00           H  
HETATM   60  H   UNL     1       6.723  -0.268  -2.097  1.00  0.00           H  
HETATM   61  H   UNL     1       6.235   0.885  -6.175  1.00  0.00           H  
HETATM   62  H   UNL     1       7.528   0.923  -4.085  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.438   1.177  -0.660  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.597   2.121  -1.913  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.292  -0.059  -2.245  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.994  -0.728  -3.892  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.945   0.214  -6.166  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.194   1.828  -6.792  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.494   2.501  -5.143  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.246  -0.872  -1.437  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.621   0.769  -3.678  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.373  -0.296  -2.468  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.670   1.622  -1.583  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.918   2.688  -2.793  1.00  0.00           H  
HETATM   75  H   UNL     1       0.992  -0.225  -0.590  1.00  0.00           H  
HETATM   76  H   UNL     1       0.578   1.491  -0.805  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.215   2.529   0.958  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.347   1.451   4.090  1.00  0.00           H  
HETATM   79  H   UNL     1       1.420   0.012   2.243  1.00  0.00           H  
HETATM   80  H   UNL     1       1.639   2.274   1.164  1.00  0.00           H  
HETATM   81  H   UNL     1       0.502   2.919   2.371  1.00  0.00           H  
HETATM   82  H   UNL     1       3.892   1.725   1.759  1.00  0.00           H  
HETATM   83  H   UNL     1       1.121   2.957   4.756  1.00  0.00           H  
HETATM   84  H   UNL     1       5.743   1.990   3.361  1.00  0.00           H  
HETATM   85  H   UNL     1       2.971   3.217   6.360  1.00  0.00           H  
HETATM   86  H   UNL     1       5.282   2.735   5.662  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.258  -2.617   5.545  1.00  0.00           H  
HETATM   88  H   UNL     1       0.316  -2.305   6.314  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.329  -2.115   6.707  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.446  -1.850   8.886  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.117  -1.345  10.896  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.672  -1.105  10.729  1.00  0.00           H  
HETATM   93  H   UNL     1       0.444  -1.374   8.551  1.00  0.00           H  
CONECT    1   14   51   52                                            
CONECT    2    3   17   53                                            
CONECT    3    2    4   14   54                                       
CONECT    4    3    5   55   56                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5    9    9   10                                       
CONECT    7    5    5    8   57                                       
CONECT    8    7    9   58                                            
CONECT    9    6    6    8   11                                       
CONECT   10    6   12   12   59                                       
CONECT   11    9   13   13   60                                       
CONECT   12   10   10   13   61                                       
CONECT   13   11   11   12   62                                       
CONECT   14    1    3   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   17                                                 
CONECT   17    2   16   16   25                                       
CONECT   18   25   26   63   64                                       
CONECT   19   20   20   24   27                                       
CONECT   20   19   19   21   65                                       
CONECT   21   20   22   22   66                                       
CONECT   22   21   21   23   67                                       
CONECT   23   22   24   24   68                                       
CONECT   24   19   23   23   69                                       
CONECT   25   17   18   28   70                                       
CONECT   26   18   27   71   72                                       
CONECT   27   19   26   73   74                                       
CONECT   28   25   29   75   76                                       
CONECT   29   28   30   30   31                                       
CONECT   29   33                                                      
CONECT   30   29   29                                                 
CONECT   31   29   77                                                 
CONECT   32   33   41   78                                            
CONECT   33   29   32   34   79                                       
CONECT   34   33   35   80   81                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35   38   82                                       
CONECT   37   35   39   39   83                                       
CONECT   38   36   40   40   84                                       
CONECT   39   37   37   40   85                                       
CONECT   40   38   38   39   86                                       
CONECT   41   32   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44                                                 
CONECT   44   43   45   87   88                                       
CONECT   45   44   46   46   50                                       
CONECT   46   45   45   47   89                                       
CONECT   47   46   48   48   90                                       
CONECT   48   47   47   49   91                                       
CONECT   49   48   50   50   92                                       
CONECT   50   45   49   49   93                                       
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   48                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
