COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.555  -0.917   0.622  1.00  0.00           C  
HETATM    2  N   UNL     1       8.057   2.550  -0.093  1.00  0.00           N  
HETATM    3  C   UNL     1       7.450   1.313   0.032  1.00  0.00           C  
HETATM    4  N   UNL     1       8.127   0.268   0.498  1.00  0.00           N  
HETATM    5  N   UNL     1       6.300  -1.133   0.291  1.00  0.00           N  
HETATM    6  C   UNL     1       5.544  -0.148  -0.184  1.00  0.00           C  
HETATM    7  C   UNL     1       6.104   1.132  -0.329  1.00  0.00           C  
HETATM    8  N   UNL     1       5.135   1.938  -0.825  1.00  0.00           N  
HETATM    9  C   UNL     1       4.042   1.250  -0.990  1.00  0.00           C  
HETATM   10  N   UNL     1       4.244  -0.043  -0.608  1.00  0.00           N  
HETATM   11  C   UNL     1       3.254  -1.122  -0.645  1.00  0.00           C  
HETATM   12  C   UNL     1       2.577  -1.255   0.728  1.00  0.00           C  
HETATM   13  O   UNL     1       3.124  -2.361   1.447  1.00  0.00           O  
HETATM   14  C   UNL     1       1.093  -1.515   0.402  1.00  0.00           C  
HETATM   15  C   UNL     1       0.956  -1.196  -1.096  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.034  -0.048  -1.296  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.998  -0.416  -2.283  1.00  0.00           O  
HETATM   18  P   UNL     1      -2.326   0.434  -2.600  1.00  0.00           P  
HETATM   19  O   UNL     1      -2.014   2.003  -2.414  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.507  -0.001  -1.594  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.266  -0.650  -0.354  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.912  -2.059  -0.330  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.124  -2.066  -1.082  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.203  -2.261   1.175  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.988  -2.905   1.844  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.793  -2.490   1.184  1.00  0.00           O  
HETATM   27  P   UNL     1      -0.712  -3.505   0.558  1.00  0.00           P  
HETATM   28  O   UNL     1       0.761  -2.875   0.671  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.754  -4.782   1.307  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.066  -3.783  -0.988  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.423  -0.955   1.724  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.994   0.060   0.807  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.085   0.986   1.476  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.342   0.724   2.589  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.646   1.778   2.908  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.820   2.267   1.099  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.906   2.766   2.020  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.440   4.146   1.853  1.00  0.00           C  
HETATM   39  N   UNL     1      -1.914   4.863   0.822  1.00  0.00           N  
HETATM   40  C   UNL     1      -2.779   4.352  -0.028  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.233   5.135  -1.055  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.250   3.083   0.084  1.00  0.00           N  
HETATM   43  O   UNL     1      -0.638   4.632   2.634  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.754   0.178  -3.994  1.00  0.00           O  
HETATM   45  O   UNL     1       2.236  -0.816  -1.598  1.00  0.00           O  
HETATM   46  H   UNL     1       8.141  -1.739   1.004  1.00  0.00           H  
HETATM   47  H   UNL     1       8.987   2.662   0.160  1.00  0.00           H  
HETATM   48  H   UNL     1       7.553   3.305  -0.434  1.00  0.00           H  
HETATM   49  H   UNL     1       3.113   1.646  -1.371  1.00  0.00           H  
HETATM   50  H   UNL     1       3.739  -2.060  -0.910  1.00  0.00           H  
HETATM   51  H   UNL     1       2.686  -0.335   1.299  1.00  0.00           H  
HETATM   52  H   UNL     1       4.070  -2.282   1.630  1.00  0.00           H  
HETATM   53  H   UNL     1       0.461  -0.851   0.993  1.00  0.00           H  
HETATM   54  H   UNL     1       0.601  -2.079  -1.628  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.541   0.165  -0.357  1.00  0.00           H  
HETATM   56  H   UNL     1       0.504   0.842  -1.622  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.316   2.337  -2.994  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.201  -0.728  -0.133  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.221  -2.809  -0.697  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.571  -2.923  -1.101  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.088  -2.878   1.302  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.953  -2.594   2.891  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.077  -3.992   1.803  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.939  -4.175  -1.127  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.861   0.594   0.424  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.331  -0.214   3.125  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.879   4.780  -1.686  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.909   6.044  -1.153  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.887   2.747  -0.565  1.00  0.00           H  
CONECT    1    5    5    4   46                                       
CONECT    2    3   47   48                                            
CONECT    3    7    2    4    4                                       
CONECT    4    3    3    1                                            
CONECT    5    6    1    1                                            
CONECT    6   10    7    7    5                                       
CONECT    7    8    6    6    3                                       
CONECT    8    9    9    7                                            
CONECT    9    8    8   10   49                                       
CONECT   10    9   11    6                                            
CONECT   11   45   10   12   50                                       
CONECT   12   11   14   13   51                                       
CONECT   13   12   52                                                 
CONECT   14   15   12   28   53                                       
CONECT   15   45   16   14   54                                       
CONECT   16   17   15   55   56                                       
CONECT   17   18   16                                                 
CONECT   18   44   44   19   17                                       
CONECT   18   20                                                      
CONECT   19   18   57                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   32   58                                       
CONECT   22   21   23   24   59                                       
CONECT   23   22   60                                                 
CONECT   24   22   31   25   61                                       
CONECT   25   24   26   62   63                                       
CONECT   26   27   25                                                 
CONECT   27   28   26   29   29                                       
CONECT   27   30                                                      
CONECT   28   14   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   64                                                 
CONECT   31   32   24                                                 
CONECT   32   21   33   31   65                                       
CONECT   33   36   32   34                                            
CONECT   34   33   35   35   66                                       
CONECT   35   37   34   34                                            
CONECT   36   42   37   37   33                                       
CONECT   37   36   36   38   35                                       
CONECT   38   39   43   43   37                                       
CONECT   39   40   40   38                                            
CONECT   40   41   42   39   39                                       
CONECT   41   40   67   68                                            
CONECT   42   40   36   69                                            
CONECT   43   38   38                                                 
CONECT   44   18   18                                                 
CONECT   45   15   11                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   41                                                      
CONECT   68   41                                                      
CONECT   69   42                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
