COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.882  -3.767  -0.836  1.00  0.00           C  
HETATM    2  C   UNL     1       2.537  -1.551  -0.424  1.00  0.00           C  
HETATM    3  C   UNL     1       2.722   0.792  -0.783  1.00  0.00           C  
HETATM    4  C   UNL     1       2.791   3.153  -0.370  1.00  0.00           C  
HETATM    5  N   UNL     1       0.355  -2.540  -0.938  1.00  0.00           N  
HETATM    6  N   UNL     1       0.545  -0.261  -1.064  1.00  0.00           N  
HETATM    7  C   UNL     1       1.405   3.214  -0.383  1.00  0.00           C  
HETATM    8  C   UNL     1       0.668   2.073  -0.595  1.00  0.00           C  
HETATM    9  N   UNL     1       2.209  -3.950  -0.922  1.00  0.00           N  
HETATM   10  C   UNL     1       3.064  -2.913  -0.785  1.00  0.00           C  
HETATM   11  C   UNL     1       1.099  -1.470  -0.808  1.00  0.00           C  
HETATM   12  N   UNL     1       3.325  -0.455  -1.042  1.00  0.00           N  
HETATM   13  C   UNL     1       1.325   0.876  -0.813  1.00  0.00           C  
HETATM   14  C   UNL     1       3.461   1.949  -0.526  1.00  0.00           C  
HETATM   15  O   UNL     1       0.150  -4.727  -0.707  1.00  0.00           O  
HETATM   16  O   UNL     1       4.238  -3.127  -0.980  1.00  0.00           O  
HETATM   17  C   UNL     1       0.719   4.540  -0.166  1.00  0.00           C  
HETATM   18  C   UNL     1       3.460   4.499  -0.220  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.820  -0.172  -1.588  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.809  -0.090  -0.424  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.235   0.003  -0.971  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.686  -1.259   0.389  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.223   0.085   0.194  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.358   1.172  -1.783  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.649   0.178  -0.354  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.101  -1.084   1.006  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.563   0.372   0.728  1.00  0.00           O  
HETATM   28  P   UNL     1      -8.153   0.513   0.518  1.00  0.00           P  
HETATM   29  O   UNL     1      -8.743  -0.870  -0.058  1.00  0.00           O  
HETATM   30  O   UNL     1      -8.853   0.849   1.929  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.429   1.605  -0.442  1.00  0.00           O  
HETATM   32  C   UNL     1       4.548  -0.603  -0.212  1.00  0.00           C  
HETATM   33  C   UNL     1       5.533   0.497  -0.455  1.00  0.00           C  
HETATM   34  C   UNL     1       4.957   1.905  -0.404  1.00  0.00           C  
HETATM   35  C   UNL     1       5.599   2.680  -1.570  1.00  0.00           C  
HETATM   36  C   UNL     1       5.432   2.523   0.920  1.00  0.00           C  
HETATM   37  C   UNL     1       2.778  -1.333   1.058  1.00  0.00           C  
HETATM   38  C   UNL     1       4.003  -0.765   1.182  1.00  0.00           C  
HETATM   39  C   UNL     1       1.840  -1.682   2.185  1.00  0.00           C  
HETATM   40  C   UNL     1       4.655  -0.419   2.453  1.00  0.00           C  
HETATM   41  O   UNL     1       5.894   0.112   2.452  1.00  0.00           O  
HETATM   42  O   UNL     1       4.078  -0.613   3.505  1.00  0.00           O  
HETATM   43  H   UNL     1      -0.410   2.133  -0.574  1.00  0.00           H  
HETATM   44  H   UNL     1       2.564  -4.840  -1.066  1.00  0.00           H  
HETATM   45  H   UNL     1       0.571   5.034  -1.126  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.248   4.375   0.310  1.00  0.00           H  
HETATM   47  H   UNL     1       1.337   5.169   0.475  1.00  0.00           H  
HETATM   48  H   UNL     1       3.512   4.764   0.836  1.00  0.00           H  
HETATM   49  H   UNL     1       4.468   4.452  -0.632  1.00  0.00           H  
HETATM   50  H   UNL     1       2.883   5.253  -0.756  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.914   0.720  -2.208  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.037  -1.056  -2.188  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.591   0.794   0.176  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.452  -0.881  -1.571  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.866  -2.085  -0.081  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.006   0.969   0.794  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.178   1.998  -1.314  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.720   1.019  -1.043  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.898  -0.744  -0.878  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.280  -1.910   0.537  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.598  -1.631   0.521  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.813   0.948   1.878  1.00  0.00           H  
HETATM   63  H   UNL     1       5.059  -1.542  -0.486  1.00  0.00           H  
HETATM   64  H   UNL     1       6.350   0.428   0.276  1.00  0.00           H  
HETATM   65  H   UNL     1       5.991   0.352  -1.446  1.00  0.00           H  
HETATM   66  H   UNL     1       5.521   3.750  -1.381  1.00  0.00           H  
HETATM   67  H   UNL     1       6.649   2.401  -1.657  1.00  0.00           H  
HETATM   68  H   UNL     1       5.080   2.436  -2.497  1.00  0.00           H  
HETATM   69  H   UNL     1       5.130   3.569   0.961  1.00  0.00           H  
HETATM   70  H   UNL     1       4.984   1.982   1.754  1.00  0.00           H  
HETATM   71  H   UNL     1       6.518   2.455   0.984  1.00  0.00           H  
HETATM   72  H   UNL     1       2.043  -2.698   2.524  1.00  0.00           H  
HETATM   73  H   UNL     1       1.990  -0.987   3.011  1.00  0.00           H  
HETATM   74  H   UNL     1       0.811  -1.614   1.834  1.00  0.00           H  
HETATM   75  H   UNL     1       6.282   0.323   3.312  1.00  0.00           H  
CONECT    1    5    9   15   15                                       
CONECT    2   12   37   11   10                                       
CONECT    3   14   14   13   12                                       
CONECT    4   18    7    7   14                                       
CONECT    5   11   11    1                                            
CONECT    6   13   19   11                                            
CONECT    7   17    4    4    8                                       
CONECT    8    7   13   13   43                                       
CONECT    9   10    1   44                                            
CONECT   10    2   16   16    9                                       
CONECT   11    6    2    5    5                                       
CONECT   12    3   32    2                                            
CONECT   13    8    8    3    6                                       
CONECT   14    4   34    3    3                                       
CONECT   15    1    1                                                 
CONECT   16   10   10                                                 
CONECT   17    7   45   46   47                                       
CONECT   18    4   48   49   50                                       
CONECT   19    6   20   51   52                                       
CONECT   20   22   19   21   53                                       
CONECT   21   20   23   24   54                                       
CONECT   22   20   55                                                 
CONECT   23   21   26   25   56                                       
CONECT   24   21   57                                                 
CONECT   25   23   27   58   59                                       
CONECT   26   23   60                                                 
CONECT   27   25   28                                                 
CONECT   28   27   31   31   29                                       
CONECT   28   30                                                      
CONECT   29   28   61                                                 
CONECT   30   28   62                                                 
CONECT   31   28   28                                                 
CONECT   32   33   12   38   63                                       
CONECT   33   34   32   64   65                                       
CONECT   34   36   35   14   33                                       
CONECT   35   34   66   67   68                                       
CONECT   36   34   69   70   71                                       
CONECT   37   38   38    2   39                                       
CONECT   38   32   40   37   37                                       
CONECT   39   37   72   73   74                                       
CONECT   40   42   42   38   41                                       
CONECT   41   40   75                                                 
CONECT   42   40   40                                                 
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
