COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -3.169  -0.690  -4.227  1.00  0.00           P  
HETATM    2  O   UNL     1      -4.737  -0.340  -4.046  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.184  -1.953  -5.236  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.301   0.456  -4.659  1.00  0.00           O  
HETATM    5  P   UNL     1      -3.208   3.260   2.461  1.00  0.00           P  
HETATM    6  O   UNL     1      -3.184   4.596   1.550  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.840   3.469   3.901  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.282   2.216   1.644  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.577   1.974   0.279  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.579   0.965  -0.273  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.730  -0.273   0.460  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.823   0.630  -1.741  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.592   0.209  -2.327  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.770  -0.551  -1.650  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.758  -1.359  -2.809  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.219  -1.287  -0.439  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.202  -2.122   0.248  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.417  -3.459   0.034  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.371  -3.939   0.804  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.794  -2.868   1.550  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.769  -2.735   2.533  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.542  -3.840   2.931  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.967  -1.524   3.107  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.191  -0.497   2.682  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.220  -0.501   1.743  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.079  -1.727   1.219  1.00  0.00           C  
HETATM   27  P   UNL     1      -6.146   3.289   2.624  1.00  0.00           P  
HETATM   28  O   UNL     1      -6.240   4.640   1.739  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.338   3.500   4.098  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.700   2.686   2.225  1.00  0.00           O  
HETATM   31  O   UNL     1      -7.210   2.282   1.938  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.130   2.004   0.551  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.524   1.708   0.025  1.00  0.00           C  
HETATM   34  O   UNL     1      -8.456   1.375  -1.371  1.00  0.00           O  
HETATM   35  C   UNL     1      -9.180   0.510   0.689  1.00  0.00           C  
HETATM   36  O   UNL     1      -9.747   0.839   1.939  1.00  0.00           O  
HETATM   37  C   UNL     1     -10.204   0.087  -0.348  1.00  0.00           C  
HETATM   38  O   UNL     1     -11.405   0.846  -0.225  1.00  0.00           O  
HETATM   39  C   UNL     1      -9.516   0.441  -1.668  1.00  0.00           C  
HETATM   40  N   UNL     1      -8.963  -0.718  -2.370  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.722  -1.266  -2.174  1.00  0.00           C  
HETATM   42  N   UNL     1      -7.507  -2.303  -2.955  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.657  -2.434  -3.691  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.041  -3.336  -4.679  1.00  0.00           C  
HETATM   45  N   UNL     1      -8.172  -4.359  -5.094  1.00  0.00           N  
HETATM   46  N   UNL     1     -10.269  -3.216  -5.238  1.00  0.00           N  
HETATM   47  C   UNL     1     -11.063  -2.211  -4.797  1.00  0.00           C  
HETATM   48  N   UNL     1     -10.804  -1.280  -3.852  1.00  0.00           N  
HETATM   49  C   UNL     1      -9.576  -1.458  -3.343  1.00  0.00           C  
HETATM   50  H   UNL     1      -5.200   0.145  -4.761  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.318  -1.793  -6.195  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.402   5.187   1.592  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.597   1.587   0.203  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.510   2.919  -0.268  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.562   1.330  -0.099  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.209   1.461  -2.337  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.823  -0.417  -3.030  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.794  -0.204  -1.468  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.395  -1.962  -0.695  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.849  -4.026  -0.692  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.351  -4.285   3.808  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.211  -4.228   2.293  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.377   0.458   3.162  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.977   5.266   1.906  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.704   2.873   0.041  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.473   1.143   0.402  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.139   2.609   0.134  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.447  -0.294   0.830  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.060   1.308   2.436  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.482  -0.967  -0.259  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.802   0.622   0.635  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.198   0.912  -2.383  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.024  -0.866  -1.450  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.540  -5.147  -5.592  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.211  -4.336  -4.807  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.038  -2.144  -5.267  1.00  0.00           H  
CONECT    1   15    4    4    3                                       
CONECT    1    2                                                      
CONECT    2    1   50                                                 
CONECT    3    1   51                                                 
CONECT    4    1    1                                                 
CONECT    5   30    7    7    8                                       
CONECT    5    6                                                      
CONECT    6    5   52                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10   53   54                                       
CONECT   10    9   11   12   55                                       
CONECT   11   10   16                                                 
CONECT   12   10   14   13   56                                       
CONECT   13   12   57                                                 
CONECT   14   12   16   15   58                                       
CONECT   15    1   14                                                 
CONECT   16   11   14   17   59                                       
CONECT   17   16   18   26                                            
CONECT   18   17   19   19   60                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   26   26                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   61   62                                            
CONECT   23   21   21   24                                            
CONECT   24   23   25   25   63                                       
CONECT   25   24   24   26                                            
CONECT   26   17   20   20   25                                       
CONECT   27   31   30   29   29                                       
CONECT   27   28                                                      
CONECT   28   27   64                                                 
CONECT   29   27   27                                                 
CONECT   30    5   27                                                 
CONECT   31   27   32                                                 
CONECT   32   31   33   65   66                                       
CONECT   33   32   35   34   67                                       
CONECT   34   33   39                                                 
CONECT   35   33   37   36   68                                       
CONECT   36   35   69                                                 
CONECT   37   35   38   39   70                                       
CONECT   38   37   71                                                 
CONECT   39   34   37   40   72                                       
CONECT   40   39   41   49                                            
CONECT   41   40   42   42   73                                       
CONECT   42   41   41   43                                            
CONECT   43   42   44   44   49                                       
CONECT   44   43   43   45   46                                       
CONECT   45   44   74   75                                            
CONECT   46   44   47   47                                            
CONECT   47   46   46   48   76                                       
CONECT   48   47   49   49                                            
CONECT   49   40   43   48   48                                       
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   28                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   41                                                      
CONECT   74   45                                                      
CONECT   75   45                                                      
CONECT   76   47                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
