COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.821   4.334  -0.056  1.00  0.00           C  
HETATM    2  C   UNL     1       9.159   3.097   0.494  1.00  0.00           C  
HETATM    3  O   UNL     1       9.526   2.632   1.547  1.00  0.00           O  
HETATM    4  O   UNL     1       8.161   2.511  -0.187  1.00  0.00           O  
HETATM    5  C   UNL     1       7.570   1.323   0.403  1.00  0.00           C  
HETATM    6  C   UNL     1       6.337   1.698   1.255  1.00  0.00           C  
HETATM    7  O   UNL     1       6.692   1.766   2.638  1.00  0.00           O  
HETATM    8  O   UNL     1       5.394   0.628   1.031  1.00  0.00           O  
HETATM    9  C   UNL     1       5.489   0.326  -0.379  1.00  0.00           C  
HETATM   10  C   UNL     1       4.953  -1.079  -0.660  1.00  0.00           C  
HETATM   11  O   UNL     1       3.548  -1.114  -0.400  1.00  0.00           O  
HETATM   12  P   UNL     1       2.654  -2.439  -0.591  1.00  0.00           P  
HETATM   13  O   UNL     1       2.822  -2.953  -1.969  1.00  0.00           O  
HETATM   14  O   UNL     1       3.127  -3.562   0.461  1.00  0.00           O  
HETATM   15  O   UNL     1       1.105  -2.083  -0.336  1.00  0.00           O  
HETATM   16  P   UNL     1      -0.283  -2.835  -0.653  1.00  0.00           P  
HETATM   17  O   UNL     1      -0.609  -2.719  -2.225  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.168  -4.261  -0.277  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.469  -2.151   0.193  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.806  -2.657   0.209  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.674  -1.775   1.108  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.807  -0.467   0.528  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.130   0.009   0.858  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.548   1.060  -0.073  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.075   1.252  -1.337  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.665   2.277  -1.881  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.551   2.806  -1.003  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.447   3.888  -1.034  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.555   4.686  -2.159  1.00  0.00           N  
HETATM   30  N   UNL     1      -8.189   4.126   0.043  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.093   3.370   1.121  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.268   2.347   1.195  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.491   2.027   0.165  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.018  -1.251   0.694  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.199  -1.150   1.492  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.090  -2.373   1.219  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.398  -2.681   2.580  1.00  0.00           O  
HETATM   38  C   UNL     1       7.002   0.398  -0.697  1.00  0.00           C  
HETATM   39  O   UNL     1       7.215   0.969  -1.990  1.00  0.00           O  
HETATM   40  H   UNL     1      10.602   4.663   0.630  1.00  0.00           H  
HETATM   41  H   UNL     1      10.262   4.109  -1.027  1.00  0.00           H  
HETATM   42  H   UNL     1       9.079   5.124  -0.167  1.00  0.00           H  
HETATM   43  H   UNL     1       8.305   0.791   1.007  1.00  0.00           H  
HETATM   44  H   UNL     1       5.921   2.649   0.923  1.00  0.00           H  
HETATM   45  H   UNL     1       5.956   1.998   3.221  1.00  0.00           H  
HETATM   46  H   UNL     1       4.942   1.066  -0.963  1.00  0.00           H  
HETATM   47  H   UNL     1       5.136  -1.335  -1.704  1.00  0.00           H  
HETATM   48  H   UNL     1       5.460  -1.797  -0.015  1.00  0.00           H  
HETATM   49  H   UNL     1       3.045  -3.293   1.387  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.698  -1.810  -2.543  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.208  -2.652  -0.803  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.803  -3.677   0.595  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.224  -1.697   2.098  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.162   0.372   1.885  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.322   0.644  -1.816  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.008   4.501  -2.939  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.177   5.430  -2.168  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.715   3.599   1.974  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.272  -1.414  -0.354  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.787  -1.914   1.423  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.178  -3.263   0.596  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.278  -3.061   2.708  1.00  0.00           H  
HETATM   63  H   UNL     1       7.452  -0.593  -0.637  1.00  0.00           H  
HETATM   64  H   UNL     1       8.146   1.038  -2.241  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    4    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    5    2                                                 
CONECT    5   38    6    4   43                                       
CONECT    6    8    5    7   44                                       
CONECT    7    6   45                                                 
CONECT    8    9    6                                                 
CONECT    9   10    8   38   46                                       
CONECT   10   11    9   47   48                                       
CONECT   11   12   10                                                 
CONECT   12   13   13   11   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   49                                                 
CONECT   15   12   16                                                 
CONECT   16   18   18   15   19                                       
CONECT   16   17                                                      
CONECT   17   16   50                                                 
CONECT   18   16   16                                                 
CONECT   19   20   16                                                 
CONECT   20   19   21   51   52                                       
CONECT   21   36   20   22   53                                       
CONECT   22   21   23                                                 
CONECT   23   34   22   24   54                                       
CONECT   24   23   25   33                                            
CONECT   25   24   26   26   55                                       
CONECT   26   25   25   27                                            
CONECT   27   33   33   26   28                                       
CONECT   28   27   30   30   29                                       
CONECT   29   28   56   57                                            
CONECT   30   31   28   28                                            
CONECT   31   32   32   30   58                                       
CONECT   32   33   31   31                                            
CONECT   33   24   32   27   27                                       
CONECT   34   36   35   23   59                                       
CONECT   35   34   60                                                 
CONECT   36   37   21   34   61                                       
CONECT   37   36   62                                                 
CONECT   38    9   39    5   63                                       
CONECT   39   38   64                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
