COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.269  -1.483  -0.333  1.00  0.00           N  
HETATM    2  C   UNL     1       3.020  -2.923  -0.225  1.00  0.00           C  
HETATM    3  C   UNL     1       4.497  -0.873  -0.385  1.00  0.00           C  
HETATM    4  C   UNL     1       4.242   0.504  -0.486  1.00  0.00           C  
HETATM    5  N   UNL     1       2.896   0.662  -0.490  1.00  0.00           N  
HETATM    6  C   UNL     1       3.064  -3.352   1.254  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.893  -0.763  -0.397  1.00  0.00           C  
HETATM    8  C   UNL     1       2.323  -0.504  -0.406  1.00  0.00           C  
HETATM    9  O   UNL     1       1.706  -3.230  -0.721  1.00  0.00           O  
HETATM   10  C   UNL     1       1.668  -3.972   1.511  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.278  -0.560  -0.410  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.037   0.310  -0.144  1.00  0.00           C  
HETATM   13  C   UNL     1       1.200  -4.323   0.075  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.339  -2.109  -0.644  1.00  0.00           C  
HETATM   15  N   UNL     1       5.757  -1.297  -0.361  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.563   1.573   0.094  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.796   0.710  -0.170  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.945   1.770   0.080  1.00  0.00           C  
HETATM   19  C   UNL     1       5.339   1.379  -0.557  1.00  0.00           C  
HETATM   20  N   UNL     1       6.563   0.863  -0.525  1.00  0.00           N  
HETATM   21  C   UNL     1       6.754  -0.440  -0.430  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.655   2.715   0.363  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.304  -4.378   0.006  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.087  -3.043  -0.860  1.00  0.00           O  
HETATM   25  O   UNL     1       4.089  -4.325   1.462  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.006  -2.302  -0.632  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.952  -3.583  -0.808  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.179   3.984   0.602  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.275   2.521   0.383  1.00  0.00           C  
HETATM   30  O   UNL     1       1.773  -5.149   2.315  1.00  0.00           O  
HETATM   31  O   UNL     1      -7.115  -1.600  -0.656  1.00  0.00           O  
HETATM   32  O   UNL     1      -8.142   0.908  -0.183  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.960   4.847   0.866  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.331   5.043   0.852  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.434   3.586   0.634  1.00  0.00           C  
HETATM   36  F   UNL     1      -1.133   5.887   1.110  1.00  0.00           F  
HETATM   37  C   UNL     1      -2.457  -3.638  -0.877  1.00  0.00           C  
HETATM   38  N   UNL     1       5.150   2.747  -0.657  1.00  0.00           N  
HETATM   39  C   UNL     1       6.306   3.643  -0.729  1.00  0.00           C  
HETATM   40  C   UNL     1       5.823   5.091  -0.835  1.00  0.00           C  
HETATM   41  O   UNL     1       5.139   5.453   0.366  1.00  0.00           O  
HETATM   42  H   UNL     1       3.771  -3.472  -0.793  1.00  0.00           H  
HETATM   43  H   UNL     1       3.221  -2.487   1.898  1.00  0.00           H  
HETATM   44  H   UNL     1       1.257  -0.671  -0.393  1.00  0.00           H  
HETATM   45  H   UNL     1       0.999  -3.246   1.972  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.968   0.158  -0.133  1.00  0.00           H  
HETATM   47  H   UNL     1       1.635  -5.268  -0.250  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.351   2.753   0.266  1.00  0.00           H  
HETATM   49  H   UNL     1       7.766  -0.817  -0.407  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.848  -5.073   0.628  1.00  0.00           H  
HETATM   51  H   UNL     1       4.161  -4.631   2.377  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.409  -1.556  -0.460  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.408  -2.887  -1.430  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.248   4.138   0.591  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.865   1.539   0.203  1.00  0.00           H  
HETATM   56  H   UNL     1       0.925  -5.574   2.503  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.392  -2.079   0.138  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.565   0.789   0.678  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.737   6.027   1.037  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.365   3.437   0.650  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.830  -4.328  -0.121  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.763  -3.980  -1.865  1.00  0.00           H  
HETATM   63  H   UNL     1       4.251   3.111  -0.679  1.00  0.00           H  
HETATM   64  H   UNL     1       6.913   3.527   0.169  1.00  0.00           H  
HETATM   65  H   UNL     1       6.904   3.395  -1.607  1.00  0.00           H  
HETATM   66  H   UNL     1       6.679   5.750  -0.978  1.00  0.00           H  
HETATM   67  H   UNL     1       5.145   5.187  -1.682  1.00  0.00           H  
HETATM   68  H   UNL     1       4.804   6.360   0.370  1.00  0.00           H  
CONECT    1    2    3    8                                            
CONECT    2    1    6    9   42                                       
CONECT    3    1    4    4   15                                       
CONECT    4    3    3    5   19                                       
CONECT    5    4    8    8                                            
CONECT    6    2   10   25   43                                       
CONECT    7   11   11   12   14                                       
CONECT    8    1    5    5   44                                       
CONECT    9    2   13                                                 
CONECT   10    6   13   30   45                                       
CONECT   11    7    7   17   31                                       
CONECT   12    7   16   16   46                                       
CONECT   13    9   10   23   47                                       
CONECT   14    7   24   24   26                                       
CONECT   15    3   21   21                                            
CONECT   16   12   12   18   22                                       
CONECT   17   11   18   18   32                                       
CONECT   18   16   17   17   48                                       
CONECT   19    4   20   20   38                                       
CONECT   20   19   19   21                                            
CONECT   21   15   15   20   49                                       
CONECT   22   16   28   28   29                                       
CONECT   23   13   27   27   50                                       
CONECT   24   14   14                                                 
CONECT   25    6   51                                                 
CONECT   26   14   37   52                                            
CONECT   27   23   23   37   53                                       
CONECT   28   22   22   34   54                                       
CONECT   29   22   35   35   55                                       
CONECT   30   10   56                                                 
CONECT   31   11   57                                                 
CONECT   32   17   58                                                 
CONECT   33   34   34   35   36                                       
CONECT   34   28   33   33   59                                       
CONECT   35   29   29   33   60                                       
CONECT   36   33                                                      
CONECT   37   26   27   61   62                                       
CONECT   38   19   39   63                                            
CONECT   39   38   40   64   65                                       
CONECT   40   39   41   66   67                                       
CONECT   41   40   68                                                 
CONECT   42    2                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   37                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   39                                                      
CONECT   66   40                                                      
CONECT   67   40                                                      
CONECT   68   41                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
