COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -1.973  -4.505  -2.737  1.00  0.00           F  
HETATM    2  C   UNL     1      -0.610  -4.632  -2.447  1.00  0.00           C  
HETATM    3  F   UNL     1      -0.424  -5.665  -1.522  1.00  0.00           F  
HETATM    4  F   UNL     1       0.091  -4.926  -3.622  1.00  0.00           F  
HETATM    5  C   UNL     1      -0.097  -3.339  -1.867  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.892  -2.331  -1.601  1.00  0.00           N  
HETATM    7  C   UNL     1       1.198  -3.151  -1.585  1.00  0.00           C  
HETATM    8  S   UNL     1       1.388  -1.527  -0.928  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.345  -1.260  -1.100  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.062  -0.022  -0.733  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.419   0.134  -1.023  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.054   1.314  -0.660  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.408   1.480  -0.945  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.010   2.660  -0.697  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.352   3.609  -0.315  1.00  0.00           O  
HETATM   16  N   UNL     1      -6.340   2.788  -0.872  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.994   4.071  -0.602  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.493   3.948  -0.878  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.393   2.285  -0.048  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.112   2.183   0.246  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.396   1.035  -0.075  1.00  0.00           C  
HETATM   22  C   UNL     1       1.041   0.924   0.264  1.00  0.00           C  
HETATM   23  C   UNL     1       1.987   1.697  -0.406  1.00  0.00           C  
HETATM   24  C   UNL     1       3.333   1.554  -0.049  1.00  0.00           C  
HETATM   25  C   UNL     1       4.376   2.351  -0.729  1.00  0.00           C  
HETATM   26  O   UNL     1       5.700   2.296  -0.467  1.00  0.00           O  
HETATM   27  C   UNL     1       6.339   3.157  -1.276  1.00  0.00           C  
HETATM   28  O   UNL     1       7.539   3.360  -1.306  1.00  0.00           O  
HETATM   29  N   UNL     1       5.408   3.754  -2.049  1.00  0.00           N  
HETATM   30  N   UNL     1       4.167   3.215  -1.681  1.00  0.00           N  
HETATM   31  C   UNL     1       3.677   0.652   0.957  1.00  0.00           C  
HETATM   32  N   UNL     1       2.756  -0.064   1.570  1.00  0.00           N  
HETATM   33  C   UNL     1       1.472   0.043   1.269  1.00  0.00           C  
HETATM   34  N   UNL     1       0.541  -0.728   1.949  1.00  0.00           N  
HETATM   35  C   UNL     1       1.214  -1.731   2.819  1.00  0.00           C  
HETATM   36  C   UNL     1       1.714  -0.903   4.027  1.00  0.00           C  
HETATM   37  C   UNL     1       0.759   0.307   4.094  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.227   0.096   2.921  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.383  -0.778   3.436  1.00  0.00           C  
HETATM   40  N   UNL     1      -0.825  -1.929   4.160  1.00  0.00           N  
HETATM   41  C   UNL     1      -1.893  -2.799   4.668  1.00  0.00           C  
HETATM   42  C   UNL     1       0.122  -2.686   3.329  1.00  0.00           C  
HETATM   43  H   UNL     1       1.990  -3.871  -1.734  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.966  -0.652  -1.521  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.918   0.745  -1.321  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.865   2.031  -1.176  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.837   4.347   0.441  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.568   4.839  -1.248  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.980   4.902  -0.677  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.650   3.672  -1.921  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.919   3.180  -0.231  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.613   3.000   0.746  1.00  0.00           H  
HETATM   53  H   UNL     1       1.690   2.387  -1.182  1.00  0.00           H  
HETATM   54  H   UNL     1       5.567   4.424  -2.732  1.00  0.00           H  
HETATM   55  H   UNL     1       4.714   0.538   1.238  1.00  0.00           H  
HETATM   56  H   UNL     1       2.024  -2.250   2.307  1.00  0.00           H  
HETATM   57  H   UNL     1       1.648  -1.490   4.943  1.00  0.00           H  
HETATM   58  H   UNL     1       2.738  -0.570   3.861  1.00  0.00           H  
HETATM   59  H   UNL     1       0.223   0.316   5.044  1.00  0.00           H  
HETATM   60  H   UNL     1       1.314   1.236   3.962  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.568   1.038   2.490  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.011  -0.194   4.108  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.977  -1.131   2.593  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.489  -3.168   3.833  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.453  -3.643   5.200  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.531  -2.234   5.348  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.406  -3.123   2.482  1.00  0.00           H  
HETATM   68  H   UNL     1       0.577  -3.477   3.925  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    4    5                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    6    7    7                                       
CONECT    6    5    9    9                                            
CONECT    7    5    5    8   43                                       
CONECT    8    7    9                                                 
CONECT    9    6    6    8   10                                       
CONECT   10    9   11   11   21                                       
CONECT   11   10   10   12   44                                       
CONECT   12   11   13   19   19                                       
CONECT   13   12   14   45                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   46                                            
CONECT   17   16   18   47   48                                       
CONECT   18   17   49   50   51                                       
CONECT   19   12   12   20                                            
CONECT   20   19   21   21   52                                       
CONECT   21   10   20   20   22                                       
CONECT   22   21   23   23   33                                       
CONECT   23   22   22   24   53                                       
CONECT   24   23   25   31   31                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   54                                            
CONECT   30   25   25   29                                            
CONECT   31   24   24   32   55                                       
CONECT   32   31   33   33                                            
CONECT   33   22   32   32   34                                       
CONECT   34   33   35   38                                            
CONECT   35   34   36   42   56                                       
CONECT   36   35   37   57   58                                       
CONECT   37   36   38   59   60                                       
CONECT   38   34   37   39   61                                       
CONECT   39   38   40   62   63                                       
CONECT   40   39   41   42                                            
CONECT   41   40   64   65   66                                       
CONECT   42   35   40   67   68                                       
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   35                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
CONECT   59   37                                                      
CONECT   60   37                                                      
CONECT   61   38                                                      
CONECT   62   39                                                      
CONECT   63   39                                                      
CONECT   64   41                                                      
CONECT   65   41                                                      
CONECT   66   41                                                      
CONECT   67   42                                                      
CONECT   68   42                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
