COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.910  -1.112   1.566  1.00  0.00           C  
HETATM    2  C   UNL     1       3.287  -0.759   0.214  1.00  0.00           C  
HETATM    3  C   UNL     1       2.422   0.488   0.368  1.00  0.00           C  
HETATM    4  C   UNL     1       5.427   0.460  -0.236  1.00  0.00           C  
HETATM    5  C   UNL     1       2.414  -1.923  -0.258  1.00  0.00           C  
HETATM    6  C   UNL     1       1.311  -2.241   0.776  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.029  -3.331   0.524  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.055  -2.322   1.043  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.847   0.545   1.858  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.970   1.156  -0.468  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.521   1.969  -1.509  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.016   0.181  -0.770  1.00  0.00           C  
HETATM   13  C   UNL     1       0.252  -2.220  -1.292  1.00  0.00           C  
HETATM   14  C   UNL     1       1.579  -1.522  -1.497  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   1.589   1.077  1.00  0.00           C  
HETATM   16  S   UNL     1       4.625   2.067   0.036  1.00  0.00           S  
HETATM   17  O   UNL     1       4.131   2.545  -1.208  1.00  0.00           O  
HETATM   18  O   UNL     1       5.498   2.887   0.801  1.00  0.00           O  
HETATM   19  C   UNL     1       4.398  -0.521  -0.804  1.00  0.00           C  
HETATM   20  N   UNL     1       0.131  -2.616  -0.013  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.559  -1.551  -0.050  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.487  -0.601   0.242  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.904  -0.418   1.554  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.383   1.334   0.857  1.00  0.00           C  
HETATM   25  F   UNL     1      -6.305   2.275   1.157  1.00  0.00           F  
HETATM   26  N   UNL     1      -5.959   2.615  -2.335  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.581  -2.395  -2.155  1.00  0.00           O  
HETATM   28  H   UNL     1       3.119  -1.277   2.298  1.00  0.00           H  
HETATM   29  H   UNL     1       4.507  -2.019   1.466  1.00  0.00           H  
HETATM   30  H   UNL     1       4.547  -0.292   1.898  1.00  0.00           H  
HETATM   31  H   UNL     1       2.116   0.840  -0.617  1.00  0.00           H  
HETATM   32  H   UNL     1       1.537   0.245   0.956  1.00  0.00           H  
HETATM   33  H   UNL     1       3.020  -2.805  -0.465  1.00  0.00           H  
HETATM   34  H   UNL     1       1.618  -3.070   1.412  1.00  0.00           H  
HETATM   35  H   UNL     1       1.095  -1.360   1.380  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.711  -3.978   1.341  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.480  -3.936  -0.263  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.877  -2.853   1.522  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.580  -1.660   1.766  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.169   0.680   2.880  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.693   0.038  -1.790  1.00  0.00           H  
HETATM   42  H   UNL     1       1.440  -0.441  -1.529  1.00  0.00           H  
HETATM   43  H   UNL     1       2.058  -1.874  -2.410  1.00  0.00           H  
HETATM   44  H   UNL     1       4.889  -1.467  -1.033  1.00  0.00           H  
HETATM   45  H   UNL     1       3.970  -0.107  -1.717  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.488  -1.030   2.340  1.00  0.00           H  
HETATM   47  H   UNL     1       6.248   0.577  -0.943  1.00  0.00           H  
HETATM   48  H   UNL     1       2.572   2.455   1.239  1.00  0.00           H  
HETATM   49  H   UNL     1       3.578   1.218   2.035  1.00  0.00           H  
HETATM   50  H   UNL     1       5.810   0.079   0.711  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    5   19                                       
CONECT    3    2   15   31   32                                       
CONECT    4   16   19   47   50                                       
CONECT    5    2    6   14   33                                       
CONECT    6    5   20   34   35                                       
CONECT    7    8   20   36   37                                       
CONECT    8    7   21   38   39                                       
CONECT    9   23   23   24   40                                       
CONECT   10   11   12   24   24                                       
CONECT   11   10   26   26   26                                       
CONECT   12   10   22   22   41                                       
CONECT   13   14   20   27   27                                       
CONECT   14    5   13   42   43                                       
CONECT   15    3   16   49   48                                       
CONECT   16    4   15   17   17                                       
CONECT   16   18   18                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19    2    4   44   45                                       
CONECT   20    6    7   13                                            
CONECT   21    8   22                                                 
CONECT   22   12   12   21   23                                       
CONECT   23    9    9   22   46                                       
CONECT   24    9   10   10   25                                       
CONECT   25   24                                                      
CONECT   26   11   11   11                                            
CONECT   27   13   13                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47    4                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50    4                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
