COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.378   0.643   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       0.058   0.118   0.976  1.00  0.00           C  
HETATM    3  C   UNL     1       1.398  -0.183   1.475  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.259  -0.175  -0.368  1.00  0.00           C  
HETATM    5  C   UNL     1       2.296  -0.738   0.616  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.657   1.505   0.381  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.496   3.026   0.391  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.974  -0.847  -0.669  1.00  0.00           C  
HETATM    9  N   UNL     1       0.690  -0.735  -1.183  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.050   1.142  -0.139  1.00  0.00           C  
HETATM   11  F   UNL     1       7.724   1.822  -1.072  1.00  0.00           F  
HETATM   12  C   UNL     1       6.696   1.118  -0.549  1.00  0.00           C  
HETATM   13  C   UNL     1       5.393   1.459  -0.867  1.00  0.00           C  
HETATM   14  C   UNL     1       4.339   0.740  -0.334  1.00  0.00           C  
HETATM   15  C   UNL     1       6.948   0.052   0.298  1.00  0.00           C  
HETATM   16  C   UNL     1       5.897  -0.670   0.833  1.00  0.00           C  
HETATM   17  F   UNL     1       6.143  -1.710   1.660  1.00  0.00           F  
HETATM   18  C   UNL     1       4.588  -0.324   0.519  1.00  0.00           C  
HETATM   19  O   UNL     1       3.553  -1.033   1.044  1.00  0.00           O  
HETATM   20  C   UNL     1       1.923  -1.011  -0.722  1.00  0.00           C  
HETATM   21  O   UNL     1       2.741  -1.509  -1.476  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.924   0.689   1.792  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.113   0.931   1.270  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.480   0.102  -0.809  1.00  0.00           N  
HETATM   25  C   UNL     1       0.357  -1.038  -2.577  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.641   0.912  -0.492  1.00  0.00           N  
HETATM   27  S   UNL     1      -6.295  -0.651  -0.012  1.00  0.00           S  
HETATM   28  O   UNL     1      -6.301  -1.011   1.362  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.385  -1.295  -0.894  1.00  0.00           O  
HETATM   30  H   UNL     1       1.669   0.030   2.498  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.535   1.120   1.393  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.618   3.411  -0.622  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.253   3.467   1.041  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.504   3.284   0.761  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.007  -0.482  -1.696  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.251  -1.901  -0.649  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.672  -0.275  -0.058  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.805   1.655   0.457  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.140   1.449  -1.181  1.00  0.00           H  
HETATM   40  H   UNL     1       5.198   2.288  -1.531  1.00  0.00           H  
HETATM   41  H   UNL     1       3.323   1.007  -0.582  1.00  0.00           H  
HETATM   42  H   UNL     1       7.966  -0.215   0.541  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.715   0.925   2.825  1.00  0.00           H  
HETATM   44  H   UNL     1       0.588  -0.176  -3.201  1.00  0.00           H  
HETATM   45  H   UNL     1       0.940  -1.896  -2.912  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.706  -1.269  -2.654  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.854   0.709  -1.416  1.00  0.00           H  
CONECT    1   23   23   24   26                                       
CONECT    2    3    4   22   22                                       
CONECT    3    2    5    5   30                                       
CONECT    4    2    9   24   24                                       
CONECT    5    3    3   19   20                                       
CONECT    6    7   10   26   31                                       
CONECT    7    6   32   33   34                                       
CONECT    8   27   35   36   37                                       
CONECT    9    4   20   25                                            
CONECT   10    6   27   38   39                                       
CONECT   11   12                                                      
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   40                                       
CONECT   14   13   18   18   41                                       
CONECT   15   12   16   16   42                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16                                                      
CONECT   18   14   14   16   19                                       
CONECT   19    5   18                                                 
CONECT   20    5    9   21   21                                       
CONECT   21   20   20                                                 
CONECT   22    2    2   23   43                                       
CONECT   23    1    1   22                                            
CONECT   24    1    4    4                                            
CONECT   25    9   44   45   46                                       
CONECT   26    1    6   47                                            
CONECT   27    8   10   28   28                                       
CONECT   27   29   29                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
