COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.907  -0.373  -0.005  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.779  -1.763   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.926  -2.567   0.003  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.308   1.683  -0.007  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.173   2.491   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.566   4.440   0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       7.099   2.328  -0.039  1.00  0.00           C  
HETATM    8  C   UNL     1       8.417   1.892  -0.026  1.00  0.00           C  
HETATM    9  C   UNL     1       8.704   0.527  -0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       6.347   0.044  -0.007  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.187  -1.978   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.309  -0.601  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.170   0.206  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.306   3.864   0.007  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.698   3.641  -0.004  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.574   2.266  -0.010  1.00  0.00           C  
HETATM   17  F   UNL     1      -5.692   5.785   0.010  1.00  0.00           F  
HETATM   18  O   UNL     1      -7.301  -2.758   0.003  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.807  -3.919   0.008  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.440  -2.382   0.003  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.338  -1.606   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.330  -3.593   0.007  1.00  0.00           O  
HETATM   23  C   UNL     1       6.067   1.416  -0.030  1.00  0.00           C  
HETATM   24  C   UNL     1       7.677  -0.395  -0.005  1.00  0.00           C  
HETATM   25  C   UNL     1       5.250  -0.931  -0.003  1.00  0.00           C  
HETATM   26  O   UNL     1       5.494  -2.119   0.001  1.00  0.00           O  
HETATM   27  C   UNL     1       3.819  -0.456  -0.005  1.00  0.00           C  
HETATM   28  S   UNL     1       2.707  -1.889   0.001  1.00  0.00           S  
HETATM   29  C   UNL     1       1.060  -1.127  -0.002  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.008  -2.222   0.002  1.00  0.00           C  
HETATM   31  O   UNL     1       9.997   0.104   0.003  1.00  0.00           O  
HETATM   32  O   UNL     1       9.429   2.797  -0.030  1.00  0.00           O  
HETATM   33  H   UNL     1      -3.026   0.252  -0.003  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.190   2.043   0.004  1.00  0.00           H  
HETATM   35  H   UNL     1       6.881   3.386  -0.052  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.290  -0.148  -0.008  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.427   4.491   0.014  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.678   4.094  -0.006  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.456   1.644  -0.017  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.623  -2.981   0.887  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.772  -4.314  -0.874  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.425  -0.640  -0.004  1.00  0.00           H  
HETATM   43  H   UNL     1       5.043   1.758  -0.031  1.00  0.00           H  
HETATM   44  H   UNL     1       7.899  -1.452   0.012  1.00  0.00           H  
HETATM   45  H   UNL     1       3.636   0.149   0.883  1.00  0.00           H  
HETATM   46  H   UNL     1       3.636   0.142  -0.897  1.00  0.00           H  
HETATM   47  H   UNL     1       0.947  -0.505   0.885  1.00  0.00           H  
HETATM   48  H   UNL     1       0.947  -0.511  -0.895  1.00  0.00           H  
HETATM   49  H   UNL     1       0.105  -2.837   0.894  1.00  0.00           H  
HETATM   50  H   UNL     1       0.105  -2.844  -0.886  1.00  0.00           H  
HETATM   51  H   UNL     1      10.366  -0.008   0.890  1.00  0.00           H  
HETATM   52  H   UNL     1       9.717   3.069   0.853  1.00  0.00           H  
CONECT    1    2    2   13   33                                       
CONECT    2    3   20    1    1                                       
CONECT    3   19   11   11    2                                       
CONECT    4   13    5    5   16                                       
CONECT    5    4    4   14   34                                       
CONECT    6   14   14   15   17                                       
CONECT    7   23    8    8   35                                       
CONECT    8    7    7    9   32                                       
CONECT    9   24   24    8   31                                       
CONECT   10   25   23   23   24                                       
CONECT   11   18    3    3   12                                       
CONECT   12   11   13   13   36                                       
CONECT   13   12   12    1    4                                       
CONECT   14    5    6    6   37                                       
CONECT   15   16   16    6   38                                       
CONECT   16    4   15   15   39                                       
CONECT   17    6                                                      
CONECT   18   11   40                                                 
CONECT   19    3   41                                                 
CONECT   20   21    2   22   22                                       
CONECT   21   30   20   42                                            
CONECT   22   20   20                                                 
CONECT   23   10   10    7   43                                       
CONECT   24   10    9    9   44                                       
CONECT   25   26   26   27   10                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   45   46                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   47   48                                       
CONECT   30   21   29   49   50                                       
CONECT   31    9   51                                                 
CONECT   32    8   52                                                 
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
