COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.579   1.543   1.932  1.00  0.00           C  
HETATM    2  C   UNL     1       3.981   1.230  -0.379  1.00  0.00           C  
HETATM    3  C   UNL     1       3.667   2.171  -1.335  1.00  0.00           C  
HETATM    4  C   UNL     1       2.362   2.314  -1.785  1.00  0.00           C  
HETATM    5  C   UNL     1       1.366   1.520  -1.287  1.00  0.00           C  
HETATM    6  C   UNL     1       1.718  -1.080   1.247  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.591  -0.667   0.284  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.762   0.110   0.370  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.441  -2.105  -0.187  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.128  -3.079  -0.311  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.684   1.917  -0.357  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.495   1.102  -1.001  1.00  0.00           C  
HETATM   13  S   UNL     1       5.642   1.062   0.184  1.00  0.00           S  
HETATM   14  O   UNL     1       6.367   2.023  -0.572  1.00  0.00           O  
HETATM   15  O   UNL     1       5.916  -0.327   0.058  1.00  0.00           O  
HETATM   16  C   UNL     1       1.663   0.562  -0.320  1.00  0.00           C  
HETATM   17  C   UNL     1       0.862  -0.429   0.418  1.00  0.00           C  
HETATM   18  N   UNL     1       2.978  -0.593   1.083  1.00  0.00           N  
HETATM   19  C   UNL     1       2.981   0.416   0.144  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.461   0.322   0.490  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.247  -1.080   0.044  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.075  -1.932  -0.068  1.00  0.00           C  
HETATM   23  F   UNL     1       0.522  -3.408   0.883  1.00  0.00           F  
HETATM   24  F   UNL     1      -0.847  -4.188  -0.771  1.00  0.00           F  
HETATM   25  F   UNL     1       0.819  -2.707  -1.271  1.00  0.00           F  
HETATM   26  N   UNL     1      -3.639   1.157   0.592  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.083   0.944   0.464  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.830   1.975   1.314  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.337   1.783   1.127  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.945   0.908  -1.127  1.00  0.00           N  
HETATM   31  H   UNL     1       4.899   0.880   2.467  1.00  0.00           H  
HETATM   32  H   UNL     1       6.576   1.468   2.365  1.00  0.00           H  
HETATM   33  H   UNL     1       5.224   2.570   2.013  1.00  0.00           H  
HETATM   34  H   UNL     1       4.444   2.805  -1.737  1.00  0.00           H  
HETATM   35  H   UNL     1       2.132   3.057  -2.534  1.00  0.00           H  
HETATM   36  H   UNL     1       0.353   1.636  -1.642  1.00  0.00           H  
HETATM   37  H   UNL     1       1.441  -1.871   1.929  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.847  -3.070  -0.452  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.755   1.767  -0.495  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.410   2.913  -0.706  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.231   2.101  -1.347  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.976   0.359  -1.607  1.00  0.00           H  
HETATM   43  H   UNL     1       3.760  -0.903   1.567  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.298   2.033   0.831  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.334  -0.060   0.806  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.572   1.838   2.364  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.549   2.980   0.997  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.874   2.542   1.696  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.624   0.793   1.480  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.228   0.913  -2.095  1.00  0.00           H  
CONECT    1   13   31   32   33                                       
CONECT    2   19   13    3    3                                       
CONECT    3    2    2    4   34                                       
CONECT    4    5    5    3   35                                       
CONECT    5   16    4    4   36                                       
CONECT    6   17   17   18   37                                       
CONECT    7   22   22   20   17                                       
CONECT    8   21   26   20   20                                       
CONECT    9   21   21   22   38                                       
CONECT   10   23   25   24   22                                       
CONECT   11   30   29   39   40                                       
CONECT   12   27   30   41   42                                       
CONECT   13   14   14    2    1                                       
CONECT   13   15   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   17   19   19    5                                       
CONECT   17    7    6    6   16                                       
CONECT   18    6   19   43                                            
CONECT   19   18   16   16    2                                       
CONECT   20    8    8    7                                            
CONECT   21    9    9    8                                            
CONECT   22   10    9    7    7                                       
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26    8   27   44                                            
CONECT   27   26   12   28   45                                       
CONECT   28   27   29   46   47                                       
CONECT   29   28   11   48   49                                       
CONECT   30   12   11   50                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   18                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
