COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.186  -2.860  -1.568  1.00  0.00           C  
HETATM    2  C   UNL     1       0.174  -1.737  -1.331  1.00  0.00           C  
HETATM    3  C   UNL     1       0.905  -0.392  -1.263  1.00  0.00           C  
HETATM    4  N   UNL     1       1.769  -0.367  -0.075  1.00  0.00           N  
HETATM    5  C   UNL     1       0.981  -0.466   1.160  1.00  0.00           C  
HETATM    6  C   UNL     1       0.253  -1.815   1.191  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.519  -1.958  -0.053  1.00  0.00           N  
HETATM    8  S   UNL     1      -2.125  -2.357  -0.015  1.00  0.00           S  
HETATM    9  O   UNL     1      -2.382  -3.099  -1.199  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.383  -2.860   1.289  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.039  -0.858  -0.160  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.791  -0.617  -1.296  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.509   0.556  -1.416  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.476   1.499  -0.388  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.716   1.251   0.756  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.006   0.072   0.866  1.00  0.00           C  
HETATM   17 CL   UNL     1      -2.065  -0.243   2.290  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -5.243   2.758  -0.511  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.904   2.972  -1.508  1.00  0.00           O  
HETATM   20  N   UNL     1      -5.209   3.667   0.483  1.00  0.00           N  
HETATM   21  C   UNL     1       2.575   0.775  -0.065  1.00  0.00           C  
HETATM   22  C   UNL     1       1.993   2.036  -0.047  1.00  0.00           C  
HETATM   23  C   UNL     1       2.791   3.164  -0.037  1.00  0.00           C  
HETATM   24  C   UNL     1       4.170   3.038  -0.044  1.00  0.00           C  
HETATM   25  C   UNL     1       4.752   1.781  -0.062  1.00  0.00           C  
HETATM   26  C   UNL     1       3.958   0.651  -0.067  1.00  0.00           C  
HETATM   27  C   UNL     1       4.593  -0.716  -0.080  1.00  0.00           C  
HETATM   28  F   UNL     1       4.190  -1.406  -1.228  1.00  0.00           F  
HETATM   29  F   UNL     1       5.985  -0.584  -0.079  1.00  0.00           F  
HETATM   30  F   UNL     1       4.191  -1.427   1.056  1.00  0.00           F  
HETATM   31  F   UNL     1       4.948   4.142  -0.035  1.00  0.00           F  
HETATM   32  H   UNL     1       0.680  -3.823  -1.511  1.00  0.00           H  
HETATM   33  H   UNL     1       1.635  -2.743  -2.554  1.00  0.00           H  
HETATM   34  H   UNL     1       1.965  -2.814  -0.807  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.552  -1.721  -2.144  1.00  0.00           H  
HETATM   36  H   UNL     1       1.513  -0.262  -2.158  1.00  0.00           H  
HETATM   37  H   UNL     1       0.176   0.416  -1.198  1.00  0.00           H  
HETATM   38  H   UNL     1       1.643  -0.391   2.022  1.00  0.00           H  
HETATM   39  H   UNL     1       0.250   0.342   1.191  1.00  0.00           H  
HETATM   40  H   UNL     1       0.981  -2.622   1.265  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.419  -1.849   2.048  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.816  -1.347  -2.091  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.095   0.743  -2.303  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.686   1.977   1.555  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.682   3.496   1.279  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.712   4.492   0.403  1.00  0.00           H  
HETATM   47  H   UNL     1       0.918   2.135  -0.042  1.00  0.00           H  
HETATM   48  H   UNL     1       2.339   4.144  -0.023  1.00  0.00           H  
HETATM   49  H   UNL     1       5.828   1.685  -0.068  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3    7   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3   21    5                                            
CONECT    5    4    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    2    6    8                                            
CONECT    8    7   10   10    9                                       
CONECT    8    9   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   12   16                                       
CONECT   12   11   11   13   42                                       
CONECT   13   12   14   14   43                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   16   44                                       
CONECT   16   11   15   15   17                                       
CONECT   17   16                                                      
CONECT   18   14   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   45   46                                            
CONECT   21    4   22   22   26                                       
CONECT   22   21   21   23   47                                       
CONECT   23   22   24   24   48                                       
CONECT   24   23   23   31   25                                       
CONECT   25   24   26   26   49                                       
CONECT   26   21   25   25   27                                       
CONECT   27   26   29   28   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   24                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
