COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -11.242  -3.848   1.503  1.00  0.00           N  
HETATM    2  O   UNL     1     -12.067   0.667   1.684  1.00  0.00           O  
HETATM    3  C   UNL     1     -11.305  -0.250   1.430  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.999   0.004   0.951  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.302   1.129   0.662  1.00  0.00           N1+
HETATM    6  C   UNL     1      -9.803   2.498   0.809  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.116   0.804   0.237  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.985  -0.554   0.225  1.00  0.00           N  
HETATM    9  C   UNL     1      -9.165  -1.085   0.670  1.00  0.00           C  
HETATM   10  N   UNL     1      -9.613  -2.331   0.867  1.00  0.00           N  
HETATM   11  C   UNL     1     -10.827  -2.553   1.317  1.00  0.00           C  
HETATM   12  N   UNL     1     -11.687  -1.535   1.604  1.00  0.00           N  
HETATM   13  O   UNL     1      -4.965  -2.811  -2.680  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.798  -1.307  -0.187  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.898  -1.694  -1.679  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.449  -1.555  -2.201  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.645  -1.103  -0.961  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.563  -0.099  -1.361  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.620  -0.476  -0.098  1.00  0.00           O  
HETATM   20  O   UNL     1      -7.355  -3.041  -1.824  1.00  0.00           O  
HETATM   21  P   UNL     1      -1.692   1.324  -0.699  1.00  0.00           P  
HETATM   22  O   UNL     1      -0.901   0.728  -1.799  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.414   2.664  -1.222  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.715   1.685   0.529  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.806   0.271  -0.207  1.00  0.00           O  
HETATM   26  P   UNL     1       0.581   2.402  -0.102  1.00  0.00           P  
HETATM   27  O   UNL     1       0.242   3.945  -0.414  1.00  0.00           O  
HETATM   28  O   UNL     1       0.961   1.717  -1.358  1.00  0.00           O  
HETATM   29  O   UNL     1       1.802   2.322   0.944  1.00  0.00           O  
HETATM   30  P   UNL     1       3.141   2.681   0.125  1.00  0.00           P  
HETATM   31  O   UNL     1       3.257   4.279  -0.038  1.00  0.00           O  
HETATM   32  O   UNL     1       3.084   2.051  -1.213  1.00  0.00           O  
HETATM   33  O   UNL     1       4.424   2.128   0.925  1.00  0.00           O  
HETATM   34  C   UNL     1       5.563   2.371   0.097  1.00  0.00           C  
HETATM   35  C   UNL     1       6.823   1.866   0.803  1.00  0.00           C  
HETATM   36  O   UNL     1       6.781   0.433   0.913  1.00  0.00           O  
HETATM   37  C   UNL     1       8.069   2.228  -0.028  1.00  0.00           C  
HETATM   38  O   UNL     1       8.953   3.064   0.722  1.00  0.00           O  
HETATM   39  C   UNL     1       8.736   0.859  -0.322  1.00  0.00           C  
HETATM   40  O   UNL     1      10.157   0.948  -0.199  1.00  0.00           O  
HETATM   41  C   UNL     1       8.140  -0.039   0.792  1.00  0.00           C  
HETATM   42  N   UNL     1       8.162  -1.448   0.390  1.00  0.00           N  
HETATM   43  C   UNL     1       7.171  -2.115  -0.266  1.00  0.00           C  
HETATM   44  N   UNL     1       7.524  -3.352  -0.464  1.00  0.00           N  
HETATM   45  C   UNL     1       8.760  -3.557   0.052  1.00  0.00           C  
HETATM   46  C   UNL     1       9.627  -4.660   0.133  1.00  0.00           C  
HETATM   47  N   UNL     1       9.264  -5.886  -0.396  1.00  0.00           N  
HETATM   48  N   UNL     1      10.804  -4.497   0.729  1.00  0.00           N  
HETATM   49  C   UNL     1      11.159  -3.331   1.235  1.00  0.00           C  
HETATM   50  N   UNL     1      10.380  -2.271   1.182  1.00  0.00           N  
HETATM   51  C   UNL     1       9.186  -2.336   0.601  1.00  0.00           C  
HETATM   52  H   UNL     1     -10.642  -4.583   1.303  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.136  -4.028   1.834  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.280   2.812  -0.119  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.530   2.533   1.621  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.973   3.167   1.036  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.349   1.504  -0.061  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.577  -1.733   1.935  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.502  -3.041  -3.451  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.681  -2.198   0.429  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.562  -1.008  -2.207  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.395  -0.801  -2.986  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.198  -1.964  -0.464  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.902  -0.552  -2.100  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.031   0.789  -1.788  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.338  -3.241  -2.770  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.917   3.020  -0.477  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.001   4.353   0.429  1.00  0.00           H  
HETATM   69  H   UNL     1       3.291   4.649   0.855  1.00  0.00           H  
HETATM   70  H   UNL     1       5.442   1.846  -0.850  1.00  0.00           H  
HETATM   71  H   UNL     1       5.655   3.441  -0.089  1.00  0.00           H  
HETATM   72  H   UNL     1       6.896   2.312   1.795  1.00  0.00           H  
HETATM   73  H   UNL     1       7.779   2.718  -0.957  1.00  0.00           H  
HETATM   74  H   UNL     1       9.737   3.205   0.174  1.00  0.00           H  
HETATM   75  H   UNL     1       8.455   0.492  -1.310  1.00  0.00           H  
HETATM   76  H   UNL     1      10.465   1.517  -0.917  1.00  0.00           H  
HETATM   77  H   UNL     1       8.680   0.101   1.728  1.00  0.00           H  
HETATM   78  H   UNL     1       6.232  -1.682  -0.577  1.00  0.00           H  
HETATM   79  H   UNL     1       8.402  -5.992  -0.828  1.00  0.00           H  
HETATM   80  H   UNL     1       9.871  -6.640  -0.333  1.00  0.00           H  
HETATM   81  H   UNL     1      12.124  -3.243   1.711  1.00  0.00           H  
CONECT    1   11   52   53                                            
CONECT    2    3    3                                                 
CONECT    3    2    2    4   12                                       
CONECT    4    3    5    9    9                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   54   55   56                                       
CONECT    7    5    5    8   57                                       
CONECT    8    7    9   14                                            
CONECT    9    4    4    8   10                                       
CONECT   10    9   11   11                                            
CONECT   11    1   10   10   12                                       
CONECT   12    3   11   58                                            
CONECT   13   16   59                                                 
CONECT   14    8   15   19   60                                       
CONECT   15   14   16   20   61                                       
CONECT   16   13   15   17   62                                       
CONECT   17   16   18   19   63                                       
CONECT   18   17   25   64   65                                       
CONECT   19   14   17                                                 
CONECT   20   15   66                                                 
CONECT   21   22   22   23   24                                       
CONECT   21   25                                                      
CONECT   22   21   21                                                 
CONECT   23   21   67                                                 
CONECT   24   21   26                                                 
CONECT   25   18   21                                                 
CONECT   26   24   27   28   28                                       
CONECT   26   29                                                      
CONECT   27   26   68                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   32   32                                       
CONECT   30   33                                                      
CONECT   31   30   69                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   70   71                                       
CONECT   35   34   36   37   72                                       
CONECT   36   35   41                                                 
CONECT   37   35   38   39   73                                       
CONECT   38   37   74                                                 
CONECT   39   37   40   41   75                                       
CONECT   40   39   76                                                 
CONECT   41   36   39   42   77                                       
CONECT   42   41   43   51                                            
CONECT   43   42   44   44   78                                       
CONECT   44   43   43   45                                            
CONECT   45   44   46   46   51                                       
CONECT   46   45   45   47   48                                       
CONECT   47   46   79   80                                            
CONECT   48   46   49   49                                            
CONECT   49   48   48   50   81                                       
CONECT   50   49   51   51                                            
CONECT   51   42   45   50   50                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   27                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
CONECT   79   47                                                      
CONECT   80   47                                                      
CONECT   81   49                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
