COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.881   0.758  -0.346  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.367   2.072  -0.295  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.729   2.273  -0.431  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.446   0.486  -0.206  1.00  0.00           C  
HETATM    5  C   UNL     1       2.504  -0.263  -0.209  1.00  0.00           C  
HETATM    6  C   UNL     1       3.008   1.967   0.100  1.00  0.00           C  
HETATM    7  C   UNL     1       1.661   2.270   0.080  1.00  0.00           C  
HETATM    8  C   UNL     1       0.744   1.226  -0.105  1.00  0.00           C  
HETATM    9  C   UNL     1       1.187   3.692   0.243  1.00  0.00           C  
HETATM   10  C   UNL     1       6.424  -1.456   0.839  1.00  0.00           C  
HETATM   11  C   UNL     1       5.081  -1.162   0.702  1.00  0.00           C  
HETATM   12  C   UNL     1       4.309  -1.861  -0.217  1.00  0.00           C  
HETATM   13  C   UNL     1       4.890  -2.854  -0.995  1.00  0.00           C  
HETATM   14  C   UNL     1       6.233  -3.143  -0.853  1.00  0.00           C  
HETATM   15  N   UNL     1       2.949  -1.567  -0.358  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.342  -1.601  -0.581  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.853  -2.155  -1.845  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.977  -3.343   0.771  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.565   1.186  -0.612  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.089  -0.043  -0.657  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.797  -0.296  -0.527  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.597   1.477  -0.132  1.00  0.00           N  
HETATM   23  N   UNL     1       3.392   0.707  -0.046  1.00  0.00           N  
HETATM   24  N   UNL     1       1.204  -0.019  -0.240  1.00  0.00           N  
HETATM   25  F   UNL     1       2.282   4.520   0.513  1.00  0.00           F  
HETATM   26  F   UNL     1       0.563   4.114  -0.936  1.00  0.00           F  
HETATM   27  F   UNL     1       0.277   3.762   1.303  1.00  0.00           F  
HETATM   28  C   UNL     1       6.999  -2.445   0.062  1.00  0.00           C  
HETATM   29  S   UNL     1      -3.352  -2.538   0.785  1.00  0.00           S  
HETATM   30  O   UNL     1      -2.321  -3.491   0.563  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.268  -1.603   1.852  1.00  0.00           O  
HETATM   32  H   UNL     1      -2.696   2.905  -0.153  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.137   3.273  -0.396  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.090  -0.533  -0.166  1.00  0.00           H  
HETATM   35  H   UNL     1       3.742   2.749   0.232  1.00  0.00           H  
HETATM   36  H   UNL     1       7.025  -0.909   1.550  1.00  0.00           H  
HETATM   37  H   UNL     1       4.632  -0.389   1.309  1.00  0.00           H  
HETATM   38  H   UNL     1       4.293  -3.400  -1.710  1.00  0.00           H  
HETATM   39  H   UNL     1       6.686  -3.915  -1.458  1.00  0.00           H  
HETATM   40  H   UNL     1       2.318  -2.275  -0.559  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.769  -2.051  -1.892  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.119  -3.210  -1.907  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.306  -1.617  -2.678  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.077  -3.943  -0.134  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.071  -3.987   1.645  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.759  -2.584   0.793  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.628   1.347  -0.718  1.00  0.00           H  
HETATM   48  H   UNL     1       8.049  -2.672   0.171  1.00  0.00           H  
CONECT    1   21    4    2    2                                       
CONECT    2    1    1    3   32                                       
CONECT    3   19   19    2   33                                       
CONECT    4    1   22   22   34                                       
CONECT    5   15   24   24   23                                       
CONECT    6   23   23    7   35                                       
CONECT    7    8    8    6    9                                       
CONECT    8   22   24    7    7                                       
CONECT    9   27    7   25   26                                       
CONECT   10   11   11   28   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   11   15   13   13                                       
CONECT   13   12   12   14   38                                       
CONECT   14   28   28   13   39                                       
CONECT   15   12    5   40                                            
CONECT   16   17   29   21                                            
CONECT   17   16   41   42   43                                       
CONECT   18   29   44   45   46                                       
CONECT   19   20    3    3   47                                       
CONECT   20   21   21   19                                            
CONECT   21   16   20   20    1                                       
CONECT   22    4    4    8                                            
CONECT   23    5    6    6                                            
CONECT   24    5    5    8                                            
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10   14   14   48                                       
CONECT   29   18   30   30   16                                       
CONECT   29   31   31                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
