COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.624   4.680   1.092  1.00  0.00           N  
HETATM    2  C   UNL     1       3.937   4.679   0.834  1.00  0.00           C  
HETATM    3  C   UNL     1       4.564   3.582   0.370  1.00  0.00           C  
HETATM    4  C   UNL     1       1.887   3.601   0.902  1.00  0.00           C  
HETATM    5  C   UNL     1       2.495   2.424   0.417  1.00  0.00           C  
HETATM    6  N   UNL     1       3.850   2.427   0.151  1.00  0.00           N  
HETATM    7  C   UNL     1       4.171   1.198  -0.294  1.00  0.00           C  
HETATM    8  N   UNL     1       3.103   0.444  -0.319  1.00  0.00           N  
HETATM    9  C   UNL     1       2.041   1.146   0.109  1.00  0.00           C  
HETATM   10  C   UNL     1       5.553   0.758  -0.703  1.00  0.00           C  
HETATM   11  N   UNL     1       0.530   3.624   1.176  1.00  0.00           N  
HETATM   12  C   UNL     1       5.528   0.320  -2.163  1.00  0.00           C  
HETATM   13  C   UNL     1       4.971  -1.089  -2.337  1.00  0.00           C  
HETATM   14  C   UNL     1       5.932  -2.102  -1.708  1.00  0.00           C  
HETATM   15  N   UNL     1       6.673  -1.386  -0.647  1.00  0.00           N  
HETATM   16  C   UNL     1       6.006  -0.389   0.206  1.00  0.00           C  
HETATM   17  C   UNL     1       0.653   0.655   0.229  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.377   1.293  -0.466  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.669   0.837  -0.355  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.956  -0.268   0.453  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.928  -0.911   1.150  1.00  0.00           C  
HETATM   22  C   UNL     1       0.370  -0.457   1.035  1.00  0.00           C  
HETATM   23  O   UNL     1       1.372  -1.084   1.706  1.00  0.00           O  
HETATM   24  C   UNL     1       1.030  -2.276   2.416  1.00  0.00           C  
HETATM   25  C   UNL     1       1.929  -2.685   3.585  1.00  0.00           C  
HETATM   26  C   UNL     1       1.969  -3.476   2.275  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.344  -0.754   0.571  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.593  -1.715   1.273  1.00  0.00           O  
HETATM   29  N   UNL     1      -4.334  -0.134  -0.100  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.657  -0.526   0.092  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.946  -1.427   1.018  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.186  -1.825   1.233  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.233  -1.313   0.493  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.972  -0.366  -0.488  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.663   0.036  -0.686  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.090   0.215  -1.315  1.00  0.00           C  
HETATM   37  F   UNL     1     -10.306  -0.349  -0.916  1.00  0.00           F  
HETATM   38  F   UNL     1      -9.136   1.601  -1.129  1.00  0.00           F  
HETATM   39  F   UNL     1      -8.866  -0.067  -2.667  1.00  0.00           F  
HETATM   40  C   UNL     1       7.961  -1.745  -0.639  1.00  0.00           C  
HETATM   41  C   UNL     1       8.251  -2.674  -1.800  1.00  0.00           C  
HETATM   42  C   UNL     1       6.998  -2.552  -2.722  1.00  0.00           C  
HETATM   43  O   UNL     1       8.779  -1.378   0.178  1.00  0.00           O  
HETATM   44  H   UNL     1       4.508   5.581   1.003  1.00  0.00           H  
HETATM   45  H   UNL     1       5.625   3.609   0.170  1.00  0.00           H  
HETATM   46  H   UNL     1       6.243   1.595  -0.593  1.00  0.00           H  
HETATM   47  H   UNL     1       0.123   4.424   1.543  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.014   2.841   0.999  1.00  0.00           H  
HETATM   49  H   UNL     1       4.909   1.017  -2.730  1.00  0.00           H  
HETATM   50  H   UNL     1       6.543   0.349  -2.558  1.00  0.00           H  
HETATM   51  H   UNL     1       3.999  -1.159  -1.848  1.00  0.00           H  
HETATM   52  H   UNL     1       4.859  -1.307  -3.399  1.00  0.00           H  
HETATM   53  H   UNL     1       5.390  -2.957  -1.302  1.00  0.00           H  
HETATM   54  H   UNL     1       6.705  -0.015   0.955  1.00  0.00           H  
HETATM   55  H   UNL     1       5.141  -0.838   0.695  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.158   2.147  -1.090  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.464   1.333  -0.892  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.150  -1.764   1.774  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.037  -2.481   2.506  1.00  0.00           H  
HETATM   60  H   UNL     1       2.781  -2.044   3.812  1.00  0.00           H  
HETATM   61  H   UNL     1       1.453  -3.158   4.444  1.00  0.00           H  
HETATM   62  H   UNL     1       1.521  -4.469   2.273  1.00  0.00           H  
HETATM   63  H   UNL     1       2.848  -3.355   1.641  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.127   0.585  -0.717  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.384  -2.562   1.997  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.244  -1.645   0.676  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.425   0.775  -1.438  1.00  0.00           H  
HETATM   68  H   UNL     1       9.151  -2.356  -2.327  1.00  0.00           H  
HETATM   69  H   UNL     1       8.355  -3.701  -1.449  1.00  0.00           H  
HETATM   70  H   UNL     1       6.752  -3.511  -3.175  1.00  0.00           H  
HETATM   71  H   UNL     1       7.148  -1.787  -3.485  1.00  0.00           H  
CONECT    1    2    4    4                                            
CONECT    2    3    3    1   44                                       
CONECT    3    2    2    6   45                                       
CONECT    4    1    1    5   11                                       
CONECT    5    6    4    9    9                                       
CONECT    6    3    7    5                                            
CONECT    7   10    6    8    8                                       
CONECT    8    7    7    9                                            
CONECT    9    5    5    8   17                                       
CONECT   10   16    7   12   46                                       
CONECT   11    4   47   48                                            
CONECT   12   10   13   49   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   42   15   13   53                                       
CONECT   15   40   16   14                                            
CONECT   16   15   10   54   55                                       
CONECT   17    9   18   18   22                                       
CONECT   18   17   17   19   56                                       
CONECT   19   18   20   20   57                                       
CONECT   20   19   19   21   27                                       
CONECT   21   22   22   20   58                                       
CONECT   22   17   23   21   21                                       
CONECT   23   22   24                                                 
CONECT   24   26   23   25   59                                       
CONECT   25   26   24   60   61                                       
CONECT   26   25   24   62   63                                       
CONECT   27   20   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   64                                            
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   65                                       
CONECT   33   32   32   34   66                                       
CONECT   34   35   35   33   36                                       
CONECT   35   30   34   34   67                                       
CONECT   36   34   38   37   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   43   43   41   15                                       
CONECT   41   40   42   68   69                                       
CONECT   42   41   14   70   71                                       
CONECT   43   40   40                                                 
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   29                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
CONECT   68   41                                                      
CONECT   69   41                                                      
CONECT   70   42                                                      
CONECT   71   42                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
