COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.180   0.500   0.795  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.528   1.155  -0.148  1.00  0.00           C  
HETATM    3  O   UNL     1       0.626  -2.436   1.063  1.00  0.00           O  
HETATM    4  N   UNL     1     -10.290  -1.158   2.468  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.614  -0.076   0.172  1.00  0.00           C  
HETATM    6  C   UNL     1       9.046  -1.082   0.011  1.00  0.00           C  
HETATM    7  C   UNL     1       7.143   0.205   0.256  1.00  0.00           C  
HETATM    8  C   UNL     1       7.782   0.990   1.222  1.00  0.00           C  
HETATM    9  C   UNL     1       9.122   0.688   1.562  1.00  0.00           C  
HETATM   10  C   UNL     1       5.774   1.771   0.985  1.00  0.00           C  
HETATM   11  C   UNL     1       2.585  -0.571  -0.255  1.00  0.00           C  
HETATM   12  C   UNL     1       4.075  -0.931  -0.102  1.00  0.00           C  
HETATM   13  C   UNL     1       4.834   0.223  -0.774  1.00  0.00           C  
HETATM   14  C   UNL     1       2.573   0.731  -1.071  1.00  0.00           C  
HETATM   15  C   UNL     1       1.597   1.728  -0.445  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.264  -0.803   1.184  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.598  -0.477   1.482  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.249  -1.586   1.020  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.049   0.674  -0.326  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.541   1.042  -0.223  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.289  -0.157  -0.825  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.023  -0.677  -1.059  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.054  -1.630  -0.357  1.00  0.00           C  
HETATM   24  F   UNL     1       4.352  -2.139  -0.752  1.00  0.00           F  
HETATM   25  F   UNL     1      -4.808   2.202  -0.958  1.00  0.00           F  
HETATM   26  N   UNL     1      -8.278   0.885  -0.462  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.346  -0.593   0.091  1.00  0.00           N  
HETATM   28  N   UNL     1       9.682  -2.131  -0.604  1.00  0.00           N  
HETATM   29  N   UNL     1      -7.376  -1.708   1.660  1.00  0.00           N  
HETATM   30  N   UNL     1       9.723  -0.350   0.940  1.00  0.00           N  
HETATM   31  N   UNL     1       7.803  -0.808  -0.317  1.00  0.00           N  
HETATM   32  N   UNL     1       5.881   0.717   0.125  1.00  0.00           N  
HETATM   33  N   UNL     1       6.894   1.929   1.629  1.00  0.00           N  
HETATM   34  O   UNL     1      -4.348  -1.215  -1.017  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.343   1.661  -1.080  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.717  -1.340  -0.771  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.106   2.616   1.035  1.00  0.00           O  
HETATM   38  O   UNL     1       0.343  -3.725  -1.089  1.00  0.00           O  
HETATM   39  O   UNL     1      -0.816   3.664  -1.243  1.00  0.00           O  
HETATM   40  O   UNL     1       3.898   1.268  -1.045  1.00  0.00           O  
HETATM   41  O   UNL     1       1.892  -1.604  -0.956  1.00  0.00           O  
HETATM   42  O   UNL     1       0.266   1.416  -0.861  1.00  0.00           O  
HETATM   43  O   UNL     1       9.718   1.346   2.398  1.00  0.00           O  
HETATM   44  P   UNL     1       0.538  -2.280  -0.406  1.00  0.00           P  
HETATM   45  P   UNL     1      -0.996   2.368  -0.552  1.00  0.00           P  
HETATM   46  H   UNL     1     -10.039   1.942  -0.683  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.211  -0.924   2.665  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.854  -1.870   2.963  1.00  0.00           H  
HETATM   49  H   UNL     1       4.893   2.382   1.112  1.00  0.00           H  
HETATM   50  H   UNL     1       2.133  -0.407   0.723  1.00  0.00           H  
HETATM   51  H   UNL     1       4.342  -0.999   0.952  1.00  0.00           H  
HETATM   52  H   UNL     1       5.282  -0.123  -1.706  1.00  0.00           H  
HETATM   53  H   UNL     1       2.281   0.521  -2.100  1.00  0.00           H  
HETATM   54  H   UNL     1       1.662   1.667   0.641  1.00  0.00           H  
HETATM   55  H   UNL     1       1.851   2.737  -0.769  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.368  -2.184   1.197  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.613   0.573   0.667  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.825   1.181   0.821  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.726   0.125  -1.783  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.717  -0.533  -2.094  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.136  -1.502   0.722  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.301  -2.659  -0.621  1.00  0.00           H  
HETATM   63  H   UNL     1      10.601  -2.342  -0.375  1.00  0.00           H  
HETATM   64  H   UNL     1       9.213  -2.661  -1.267  1.00  0.00           H  
HETATM   65  H   UNL     1      10.641  -0.576   1.157  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.327   3.039   1.421  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.455  -4.191  -0.803  1.00  0.00           H  
CONECT    1    2    2   17                                            
CONECT    2    1    1   26   46                                       
CONECT    3   44   44                                                 
CONECT    4   17   47   48                                            
CONECT    5   26   26   16   27                                       
CONECT    6   31   31   30   28                                       
CONECT    7   32    8    8   31                                       
CONECT    8   33    7    7    9                                       
CONECT    9    8   43   43   30                                       
CONECT   10   33   33   32   49                                       
CONECT   11   14   12   41   50                                       
CONECT   12   13   11   24   51                                       
CONECT   13   40   32   12   52                                       
CONECT   14   40   15   11   53                                       
CONECT   15   42   14   54   55                                       
CONECT   16   17   17    5   29                                       
CONECT   17    1    4   16   16                                       
CONECT   18   27   29   29   56                                       
CONECT   19   35   20   22   57                                       
CONECT   20   25   19   21   58                                       
CONECT   21   20   27   34   59                                       
CONECT   22   19   23   34   60                                       
CONECT   23   22   36   61   62                                       
CONECT   24   12                                                      
CONECT   25   20                                                      
CONECT   26    2    5    5                                            
CONECT   27    5   21   18                                            
CONECT   28    6   63   64                                            
CONECT   29   16   18   18                                            
CONECT   30    9    6   65                                            
CONECT   31    7    6    6                                            
CONECT   32   10   13    7                                            
CONECT   33   10   10    8                                            
CONECT   34   22   21                                                 
CONECT   35   45   19                                                 
CONECT   36   23   44                                                 
CONECT   37   45   66                                                 
CONECT   38   44   67                                                 
CONECT   39   45   45                                                 
CONECT   40   13   14                                                 
CONECT   41   11   44                                                 
CONECT   42   45   15                                                 
CONECT   43    9    9                                                 
CONECT   44   41   36    3    3                                       
CONECT   44   38                                                      
CONECT   45   39   39   37   42                                       
CONECT   45   35                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
