COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.153   3.268   0.890  1.00  0.00           C  
HETATM    2  C   UNL     1       2.602  -2.142  -0.604  1.00  0.00           C  
HETATM    3  C   UNL     1       1.117  -3.803   0.273  1.00  0.00           C  
HETATM    4  C   UNL     1       3.482  -4.010   0.607  1.00  0.00           C  
HETATM    5  C   UNL     1       3.682  -2.833  -0.089  1.00  0.00           C  
HETATM    6  C   UNL     1       0.378   2.951   1.054  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.373  -0.001   0.231  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.933   1.133   1.677  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.066   0.572   0.607  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.019   0.473  -0.237  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.809   1.109   0.071  1.00  0.00           C  
HETATM   12  C   UNL     1       0.395   0.538  -0.319  1.00  0.00           C  
HETATM   13  C   UNL     1       1.588   1.170  -0.012  1.00  0.00           C  
HETATM   14  C   UNL     1       1.584   2.382   0.674  1.00  0.00           C  
HETATM   15  O   UNL     1       2.750   3.013   0.980  1.00  0.00           O  
HETATM   16  C   UNL     1       3.913   2.663   0.228  1.00  0.00           C  
HETATM   17  O   UNL     1       5.078   4.694   0.827  1.00  0.00           O  
HETATM   18  C   UNL     1       4.042   1.133   0.197  1.00  0.00           C  
HETATM   19  N   UNL     1       2.808   0.595  -0.402  1.00  0.00           N  
HETATM   20  S   UNL     1       2.859  -0.645  -1.498  1.00  0.00           S  
HETATM   21  C   UNL     1       1.320  -2.627  -0.424  1.00  0.00           C  
HETATM   22  C   UNL     1       2.199  -4.496   0.789  1.00  0.00           C  
HETATM   23  F   UNL     1       2.002  -5.646   1.471  1.00  0.00           F  
HETATM   24  O   UNL     1       4.192  -0.694  -1.988  1.00  0.00           O  
HETATM   25  O   UNL     1       1.727  -0.482  -2.342  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.813   2.316   0.757  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.308   0.775  -0.459  1.00  0.00           C  
HETATM   28 CL   UNL     1      -4.938   2.420  -0.872  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -6.526   0.230  -0.812  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.824  -1.081  -0.485  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.905  -1.856   0.198  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.680  -1.326   0.558  1.00  0.00           C  
HETATM   33  F   UNL     1      -3.783  -2.085   1.226  1.00  0.00           F  
HETATM   34  H   UNL     1       5.199   2.952   1.932  1.00  0.00           H  
HETATM   35  H   UNL     1       6.047   2.928   0.366  1.00  0.00           H  
HETATM   36  H   UNL     1       0.116  -4.181   0.414  1.00  0.00           H  
HETATM   37  H   UNL     1       4.327  -4.550   1.009  1.00  0.00           H  
HETATM   38  H   UNL     1       4.683  -2.453  -0.231  1.00  0.00           H  
HETATM   39  H   UNL     1       0.369   3.890   1.588  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.103  -0.038  -1.057  1.00  0.00           H  
HETATM   41  H   UNL     1       0.401  -0.397  -0.860  1.00  0.00           H  
HETATM   42  H   UNL     1       3.819   3.044  -0.789  1.00  0.00           H  
HETATM   43  H   UNL     1       5.833   5.145   1.229  1.00  0.00           H  
HETATM   44  H   UNL     1       4.902   0.846  -0.408  1.00  0.00           H  
HETATM   45  H   UNL     1       4.157   0.751   1.211  1.00  0.00           H  
HETATM   46  H   UNL     1       0.476  -2.086  -0.826  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.750   2.760   1.059  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.250   0.829  -1.346  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.779  -1.501  -0.764  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.144  -2.879   0.451  1.00  0.00           H  
CONECT    1   17   16   34   35                                       
CONECT    2    5   20   21   21                                       
CONECT    3   22   22   21   36                                       
CONECT    4    5    5   22   37                                       
CONECT    5    4    4    2   38                                       
CONECT    6   14   14   26   39                                       
CONECT    7    9   27   27   32                                       
CONECT    8    9    9                                                 
CONECT    9   10    8    8    7                                       
CONECT   10   11    9   40                                            
CONECT   11   26   26   12   10                                       
CONECT   12   13   13   11   41                                       
CONECT   13   14   19   12   12                                       
CONECT   14   15    6    6   13                                       
CONECT   15   16   14                                                 
CONECT   16    1   15   18   42                                       
CONECT   17    1   43                                                 
CONECT   18   16   19   44   45                                       
CONECT   19   18   13   20                                            
CONECT   20   19   25   25    2                                       
CONECT   20   24   24                                                 
CONECT   21    2    2    3   46                                       
CONECT   22    4   23    3    3                                       
CONECT   23   22                                                      
CONECT   24   20   20                                                 
CONECT   25   20   20                                                 
CONECT   26    6   11   11   47                                       
CONECT   27   28    7    7   29                                       
CONECT   28   27                                                      
CONECT   29   27   30   30   48                                       
CONECT   30   29   29   31   49                                       
CONECT   31   32   32   30   50                                       
CONECT   32    7   33   31   31                                       
CONECT   33   32                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
