COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.676   1.054   2.391  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.109   0.882   1.268  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.188   0.620   0.148  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.853   0.279   0.390  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.394   0.187   1.662  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.999   0.035  -0.679  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.464   0.128  -1.981  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.792   0.466  -2.235  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.657   0.711  -1.179  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.070   1.068  -1.432  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.433   1.392  -2.546  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.565   0.928   1.011  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.471   0.882   2.065  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.036   1.025  -0.312  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.405   1.068  -0.557  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.295   1.015   0.503  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.830   0.926   1.807  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.620  -0.112  -3.016  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.161   0.000  -4.334  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.855   1.375   2.245  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.561  -0.332  -0.421  1.00  0.00           C  
HETATM   22  P   UNL     1       9.117   1.606  -0.734  1.00  0.00           P  
HETATM   23  O   UNL     1       9.469   1.693  -2.302  1.00  0.00           O  
HETATM   24  O   UNL     1       7.523   1.488  -0.547  1.00  0.00           O  
HETATM   25  C   UNL     1       6.886   1.497   0.733  1.00  0.00           C  
HETATM   26  C   UNL     1       5.373   1.368   0.551  1.00  0.00           C  
HETATM   27  C   UNL     1       4.654   1.502   1.912  1.00  0.00           C  
HETATM   28  O   UNL     1       4.155   2.829   2.086  1.00  0.00           O  
HETATM   29  C   UNL     1       3.487   0.493   1.821  1.00  0.00           C  
HETATM   30  C   UNL     1       3.639  -0.131   0.416  1.00  0.00           C  
HETATM   31  O   UNL     1       5.034   0.045   0.083  1.00  0.00           O  
HETATM   32  N   UNL     1       3.299  -1.556   0.451  1.00  0.00           N  
HETATM   33  C   UNL     1       2.052  -2.094   0.281  1.00  0.00           C  
HETATM   34  C   UNL     1       2.210  -3.480   0.395  1.00  0.00           C  
HETATM   35  N   UNL     1       3.524  -3.718   0.624  1.00  0.00           N  
HETATM   36  C   UNL     1       4.168  -2.588   0.652  1.00  0.00           C  
HETATM   37  N   UNL     1       0.838  -1.582   0.051  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.215  -2.359  -0.072  1.00  0.00           C  
HETATM   39  N   UNL     1      -1.440  -1.787  -0.308  1.00  0.00           N  
HETATM   40  N   UNL     1      -0.126  -3.715   0.029  1.00  0.00           N  
HETATM   41  C   UNL     1       1.067  -4.304   0.266  1.00  0.00           C  
HETATM   42  O   UNL     1       1.158  -5.517   0.357  1.00  0.00           O  
HETATM   43  O   UNL     1       9.830   0.311  -0.095  1.00  0.00           O  
HETATM   44  H   UNL     1      -5.147   0.537  -3.252  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.115   0.813   3.082  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.772   1.142  -1.569  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.357   1.049   0.313  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.533   0.890   2.626  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.383  -0.217  -5.066  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.979  -0.711  -4.452  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.534   1.013  -4.489  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.525   1.163   3.262  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.007   1.718   1.652  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.621   2.150   2.266  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.942   0.021  -1.246  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.228   0.133   0.508  1.00  0.00           H  
HETATM   57  H   UNL     1      10.414   1.766  -2.490  1.00  0.00           H  
HETATM   58  H   UNL     1       7.253   0.661   1.328  1.00  0.00           H  
HETATM   59  H   UNL     1       7.112   2.433   1.244  1.00  0.00           H  
HETATM   60  H   UNL     1       5.009   2.124  -0.146  1.00  0.00           H  
HETATM   61  H   UNL     1       5.327   1.238   2.727  1.00  0.00           H  
HETATM   62  H   UNL     1       3.694   2.969   2.925  1.00  0.00           H  
HETATM   63  H   UNL     1       3.583  -0.273   2.591  1.00  0.00           H  
HETATM   64  H   UNL     1       2.530   1.006   1.911  1.00  0.00           H  
HETATM   65  H   UNL     1       3.009   0.393  -0.303  1.00  0.00           H  
HETATM   66  H   UNL     1       5.230  -2.483   0.816  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.227  -2.348  -0.401  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.923  -4.260  -0.066  1.00  0.00           H  
HETATM   69  H   UNL     1       9.557  -0.525  -0.495  1.00  0.00           H  
HETATM   70  O   UNL     1       9.605   2.825  -0.050  1.00  0.00           O  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    4    2    9    9                                       
CONECT    4    5    6    6    3                                       
CONECT    5   20    4                                                 
CONECT    6   21    4    4    7                                       
CONECT    7    6   18    8    8                                       
CONECT    8    7    7    9   44                                       
CONECT    9    3    3    8   10                                       
CONECT   10    9   14   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    2   13   13   14                                       
CONECT   13   12   12   17   45                                       
CONECT   14   12   10   15   15                                       
CONECT   15   14   14   16   46                                       
CONECT   16   17   17   15   47                                       
CONECT   17   13   16   16   48                                       
CONECT   18    7   19                                                 
CONECT   19   18   49   50   51                                       
CONECT   20    5   52   53   54                                       
CONECT   21   39    6   55   56                                       
CONECT   22   43   24   23   70                                       
CONECT   22   70                                                      
CONECT   23   22   57                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26   58   59                                       
CONECT   26   31   25   27   60                                       
CONECT   27   29   26   28   61                                       
CONECT   28   27   62                                                 
CONECT   29   30   27   63   64                                       
CONECT   30   32   31   29   65                                       
CONECT   31   30   26                                                 
CONECT   32   33   36   30                                            
CONECT   33   34   34   37   32                                       
CONECT   34   41   35   33   33                                       
CONECT   35   34   36   36                                            
CONECT   36   35   35   32   66                                       
CONECT   37   38   38   33                                            
CONECT   38   40   39   37   37                                       
CONECT   39   38   21   67                                            
CONECT   40   41   38   68                                            
CONECT   41   42   42   40   34                                       
CONECT   42   41   41                                                 
CONECT   43   22   69                                                 
CONECT   44    8                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   36                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
CONECT   69   43                                                      
CONECT   70   22   22                                                 
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
