COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.620  -3.412   0.638  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.038  -2.099  -0.027  1.00  0.00           C  
HETATM    3  S   UNL     1      -3.829  -1.873   0.156  1.00  0.00           S  
HETATM    4  O   UNL     1      -4.535  -2.834  -0.616  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.165  -1.635   1.516  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.162  -0.340  -0.648  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.636   0.847  -0.137  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.905   2.056  -0.780  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.688   2.071  -1.915  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.207   0.890  -2.417  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.940  -0.312  -1.787  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.798   0.823   1.081  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.253   0.398   2.124  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.528   1.274   1.034  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.644   1.162   2.204  1.00  0.00           C  
HETATM   16  C   UNL     1       0.665   0.499   1.762  1.00  0.00           C  
HETATM   17  N   UNL     1       1.228   1.242   0.626  1.00  0.00           N  
HETATM   18  C   UNL     1       0.333   1.194  -0.538  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.989   1.885  -0.191  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.749   3.378   0.043  1.00  0.00           C  
HETATM   21  C   UNL     1       2.486   0.774   0.303  1.00  0.00           C  
HETATM   22  N   UNL     1       3.478   0.705   1.123  1.00  0.00           N  
HETATM   23  C   UNL     1       4.649   0.223   0.657  1.00  0.00           C  
HETATM   24  C   UNL     1       4.589  -0.137  -0.692  1.00  0.00           C  
HETATM   25  S   UNL     1       2.959   0.180  -1.282  1.00  0.00           S  
HETATM   26  C   UNL     1       5.712  -0.654  -1.334  1.00  0.00           C  
HETATM   27  C   UNL     1       6.895  -0.809  -0.644  1.00  0.00           C  
HETATM   28  F   UNL     1       7.983  -1.311  -1.270  1.00  0.00           F  
HETATM   29  C   UNL     1       6.969  -0.449   0.695  1.00  0.00           C  
HETATM   30  C   UNL     1       5.868   0.049   1.345  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.141  -4.242   0.164  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.544  -3.548   0.529  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.876  -3.380   1.698  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.517  -1.268   0.448  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.782  -2.131  -1.086  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.501   2.978  -0.389  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.897   3.006  -2.414  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.820   0.907  -3.306  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.348  -1.230  -2.184  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.435   2.155   2.601  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.125   0.554   2.970  1.00  0.00           H  
HETATM   42  H   UNL     1       1.375   0.507   2.589  1.00  0.00           H  
HETATM   43  H   UNL     1       0.469  -0.530   1.462  1.00  0.00           H  
HETATM   44  H   UNL     1       0.802   1.706  -1.378  1.00  0.00           H  
HETATM   45  H   UNL     1       0.141   0.155  -0.806  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.695   1.748  -1.010  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.036   3.509   0.857  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.350   3.828  -0.866  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.691   3.861   0.304  1.00  0.00           H  
HETATM   50  H   UNL     1       5.655  -0.935  -2.375  1.00  0.00           H  
HETATM   51  H   UNL     1       7.898  -0.572   1.233  1.00  0.00           H  
HETATM   52  H   UNL     1       5.939   0.326   2.387  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    3    1   34   35                                       
CONECT    3    6    4    4    5                                       
CONECT    3    5    2                                                 
CONECT    4    3    3                                                 
CONECT    5    3    3                                                 
CONECT    6    7    7   11    3                                       
CONECT    7    8   12    6    6                                       
CONECT    8    9    9    7   36                                       
CONECT    9    8    8   10   37                                       
CONECT   10    9   11   11   38                                       
CONECT   11   10   10    6   39                                       
CONECT   12   14    7   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   15   19   12                                            
CONECT   15   16   14   40   41                                       
CONECT   16   17   15   42   43                                       
CONECT   17   21   16   18                                            
CONECT   18   17   19   44   45                                       
CONECT   19   18   14   20   46                                       
CONECT   20   19   47   48   49                                       
CONECT   21   25   22   22   17                                       
CONECT   22   23   21   21                                            
CONECT   23   24   24   30   22                                       
CONECT   24   26   25   23   23                                       
CONECT   25   24   21                                                 
CONECT   26   27   27   24   50                                       
CONECT   27   28   26   26   29                                       
CONECT   28   27                                                      
CONECT   29   27   30   30   51                                       
CONECT   30   29   29   23   52                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
