COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.575  -0.657 -10.540  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.904   0.631 -10.054  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.002   0.746  -8.500  1.00  0.00           C  
HETATM    4  C   UNL     1       1.624   0.274  -4.598  1.00  0.00           C  
HETATM    5  C   UNL     1       2.438   0.105  -5.718  1.00  0.00           C  
HETATM    6  C   UNL     1       1.911   0.258  -6.982  1.00  0.00           C  
HETATM    7  C   UNL     1       0.563   0.581  -7.142  1.00  0.00           C  
HETATM    8  C   UNL     1       2.190   0.110  -3.240  1.00  0.00           C  
HETATM    9  C   UNL     1       2.491   1.457  -0.315  1.00  0.00           C  
HETATM   10  C   UNL     1       1.337   2.458  -0.233  1.00  0.00           C  
HETATM   11  C   UNL     1       3.111   1.280   1.071  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.486  -1.127  -9.548  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.266   0.355  -8.755  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.060  -0.370  -7.749  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.719  -1.570  -8.429  1.00  0.00           C  
HETATM   16  O   UNL     1       0.673   1.234  -9.384  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.250   0.749  -6.021  1.00  0.00           C  
HETATM   18  C   UNL     1       0.274   0.591  -4.757  1.00  0.00           C  
HETATM   19  N   UNL     1       1.403   0.272  -2.157  1.00  0.00           N  
HETATM   20  C   UNL     1       1.963   0.110  -0.813  1.00  0.00           C  
HETATM   21  C   UNL     1       0.891  -0.385   0.120  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.242   0.033   0.020  1.00  0.00           O  
HETATM   23  C   UNL     1       0.278  -1.773   2.117  1.00  0.00           C  
HETATM   24  C   UNL     1       2.490  -1.973   1.228  1.00  0.00           C  
HETATM   25  C   UNL     1       2.163  -3.289   1.976  1.00  0.00           C  
HETATM   26  C   UNL     1       1.045  -2.825   2.947  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.142  -0.629   3.004  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.974  -0.850   4.040  1.00  0.00           N  
HETATM   29  N   UNL     1       1.191  -1.295   1.068  1.00  0.00           N  
HETATM   30  O   UNL     1       0.267   0.490   2.784  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.383   0.261   4.902  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.660   0.894   4.344  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.753  -0.169   4.238  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.125   2.012   5.280  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.644  -0.251   6.295  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.964   0.393   7.475  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.398  -1.179   6.465  1.00  0.00           O  
HETATM   38  F   UNL     1      -1.342   1.737   7.553  1.00  0.00           F  
HETATM   39  F   UNL     1      -1.342  -0.266   8.649  1.00  0.00           F  
HETATM   40  C   UNL     1       0.553   0.299   7.303  1.00  0.00           C  
HETATM   41  F   UNL     1       1.184   0.897   8.399  1.00  0.00           F  
HETATM   42  F   UNL     1       0.931  -1.045   7.225  1.00  0.00           F  
HETATM   43  F   UNL     1       0.931   0.959   6.129  1.00  0.00           F  
HETATM   44  O   UNL     1       3.364  -0.171  -3.101  1.00  0.00           O  
HETATM   45  H   UNL     1      -3.116  -0.458 -11.465  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.813  -1.416 -10.722  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.654   1.414  -9.936  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.151   0.949 -10.774  1.00  0.00           H  
HETATM   49  H   UNL     1       3.482  -0.144  -5.595  1.00  0.00           H  
HETATM   50  H   UNL     1       2.542   0.128  -7.850  1.00  0.00           H  
HETATM   51  H   UNL     1       3.247   1.829  -1.006  1.00  0.00           H  
HETATM   52  H   UNL     1       1.713   3.418   0.121  1.00  0.00           H  
HETATM   53  H   UNL     1       0.895   2.585  -1.222  1.00  0.00           H  
HETATM   54  H   UNL     1       0.581   2.086   0.457  1.00  0.00           H  
HETATM   55  H   UNL     1       2.333   1.013   1.786  1.00  0.00           H  
HETATM   56  H   UNL     1       3.860   0.488   1.036  1.00  0.00           H  
HETATM   57  H   UNL     1       3.584   2.212   1.380  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.411  -0.714  -6.944  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.827   0.291  -7.347  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.372  -2.077  -7.719  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.947  -2.260  -8.768  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.294   1.000  -6.145  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.355   0.721  -3.890  1.00  0.00           H  
HETATM   64  H   UNL     1       0.466   0.497  -2.268  1.00  0.00           H  
HETATM   65  H   UNL     1       2.780  -0.610  -0.845  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.598  -2.229   1.659  1.00  0.00           H  
HETATM   67  H   UNL     1       2.928  -2.190   0.253  1.00  0.00           H  
HETATM   68  H   UNL     1       3.168  -1.358   1.820  1.00  0.00           H  
HETATM   69  H   UNL     1       1.792  -4.048   1.288  1.00  0.00           H  
HETATM   70  H   UNL     1       3.031  -3.653   2.526  1.00  0.00           H  
HETATM   71  H   UNL     1       0.394  -3.658   3.213  1.00  0.00           H  
HETATM   72  H   UNL     1       1.474  -2.369   3.839  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.302  -1.746   4.216  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.590   1.008   4.932  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.458   1.308   3.356  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.663   0.281   3.841  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.422  -0.966   3.572  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.955  -0.583   5.227  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.285   1.606   6.279  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.364   2.791   5.322  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.057   2.435   4.906  1.00  0.00           H  
CONECT    1    2   12   45   46                                       
CONECT    2    1   13   47   48                                       
CONECT    3    7   13   16   16                                       
CONECT    4    5    5    8   18                                       
CONECT    5    4    4    6   49                                       
CONECT    6    5    7    7   50                                       
CONECT    7    3    6    6   17                                       
CONECT    8    4   19   44   44                                       
CONECT    9   10   11   20   51                                       
CONECT   10    9   52   53   54                                       
CONECT   11    9   55   56   57                                       
CONECT   12    1   15                                                 
CONECT   13    2    3   14                                            
CONECT   14   13   15   58   59                                       
CONECT   15   12   14   60   61                                       
CONECT   16    3    3                                                 
CONECT   17    7   18   18   62                                       
CONECT   18    4   17   17   63                                       
CONECT   19    8   20   64                                            
CONECT   20    9   19   21   65                                       
CONECT   21   20   22   22   29                                       
CONECT   22   21   21                                                 
CONECT   23   26   27   29   66                                       
CONECT   24   25   29   67   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26   23   25   71   72                                       
CONECT   27   23   28   30   30                                       
CONECT   28   27   31   73                                            
CONECT   29   21   23   24                                            
CONECT   30   27   27                                                 
CONECT   31   28   32   35   74                                       
CONECT   32   31   33   34   75                                       
CONECT   33   32   76   77   78                                       
CONECT   34   32   79   80   81                                       
CONECT   35   31   36   37   37                                       
CONECT   36   35   38   39   40                                       
CONECT   37   35   35                                                 
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   36   41   42   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
CONECT   44    8    8                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
