COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.102  -5.244  -2.573  1.00  0.00           O  
HETATM    2  C   UNL     1       1.949  -4.806  -2.589  1.00  0.00           C  
HETATM    3  N   UNL     1       0.921  -5.340  -3.363  1.00  0.00           N  
HETATM    4  C   UNL     1       1.177  -6.492  -4.226  1.00  0.00           C  
HETATM    5  C   UNL     1       0.060  -7.517  -4.088  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.207  -6.905  -4.344  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.475  -5.866  -3.399  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.423  -4.769  -3.503  1.00  0.00           C  
HETATM    9  C   UNL     1       1.596  -3.622  -1.725  1.00  0.00           C  
HETATM   10  C   UNL     1       2.812  -2.763  -1.470  1.00  0.00           C  
HETATM   11  N   UNL     1       1.071  -4.207  -0.510  1.00  0.00           N  
HETATM   12  C   UNL     1       1.845  -5.145   0.270  1.00  0.00           C  
HETATM   13  C   UNL     1       1.069  -5.245   1.572  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.238  -4.071  -0.051  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.146  -3.420  -0.547  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.371  -4.939   1.176  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.084  -6.159   0.759  1.00  0.00           N  
HETATM   18  S   UNL     1      -2.554  -6.586   1.505  1.00  0.00           S  
HETATM   19  O   UNL     1      -2.365  -6.637   2.942  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.130  -7.718   0.805  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.566  -5.184   1.138  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.075  -4.475   2.106  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.731  -3.566   1.369  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.806  -4.856  -0.133  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.567  -3.799   0.039  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.139  -3.009  -0.981  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.941  -1.894  -0.830  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.342  -1.343  -2.082  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.833  -2.054  -3.146  1.00  0.00           C  
HETATM   30  S   UNL     1      -4.877  -3.380  -2.635  1.00  0.00           S  
HETATM   31 CL   UNL     1      -6.059  -1.749  -4.817  1.00  0.00          Cl  
HETATM   32  H   UNL     1       0.800  -3.063  -2.214  1.00  0.00           H  
HETATM   33  H   UNL     1       2.145  -6.948  -3.999  1.00  0.00           H  
HETATM   34  H   UNL     1       1.213  -6.109  -5.253  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.459  -4.302  -4.494  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.605  -3.993  -2.755  1.00  0.00           H  
HETATM   37  H   UNL     1       0.198  -8.324  -4.814  1.00  0.00           H  
HETATM   38  H   UNL     1       0.050  -7.964  -3.086  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.506  -6.295  -2.390  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.466  -5.458  -3.621  1.00  0.00           H  
HETATM   41  H   UNL     1       3.708  -3.171  -1.953  1.00  0.00           H  
HETATM   42  H   UNL     1       2.655  -1.754  -1.866  1.00  0.00           H  
HETATM   43  H   UNL     1       3.021  -2.684  -0.398  1.00  0.00           H  
HETATM   44  H   UNL     1       2.861  -4.772   0.421  1.00  0.00           H  
HETATM   45  H   UNL     1       1.872  -6.099  -0.265  1.00  0.00           H  
HETATM   46  H   UNL     1       1.201  -6.214   2.062  1.00  0.00           H  
HETATM   47  H   UNL     1       1.424  -4.468   2.260  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.921  -4.429   1.970  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.901  -6.480  -0.198  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.256  -2.836   1.837  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.231  -1.488   0.132  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.972  -0.469  -2.189  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    8                                            
CONECT    4    3   33   34    5                                       
CONECT    5    4   37   38    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   39   40    8                                       
CONECT    8    3    7   35   36                                       
CONECT    9    2   32   10   11                                       
CONECT   10    9   41   42   43                                       
CONECT   11    9   12   14                                            
CONECT   12   11   44   45   13                                       
CONECT   13   12   46   47   16                                       
CONECT   14   11   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   13   14   17   48                                       
CONECT   17   16   18   49                                            
CONECT   18   17   20   20   21                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   22   24                                       
CONECT   22   21   21   23                                            
CONECT   23   22   25   50                                            
CONECT   24   21   25   25                                            
CONECT   25   23   24   24   26                                       
CONECT   26   25   27   27   30                                       
CONECT   27   26   26   28   51                                       
CONECT   28   27   29   29   52                                       
CONECT   29   28   28   30   31                                       
CONECT   30   26   29                                                 
CONECT   31   29                                                      
CONECT   32    9                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   23                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
