COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.090   0.105   1.148  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.255  -1.309   0.632  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.285  -1.683  -0.704  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.613  -2.827  -1.139  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.903  -3.598  -0.198  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.857  -3.242   1.154  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.549  -2.076   1.563  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.075  -4.178   1.911  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.566  -5.184   1.138  1.00  0.00           C  
HETATM   10  S   UNL     1      -2.554  -6.586   1.505  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.365  -6.637   2.942  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.130  -7.718   0.805  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.084  -6.159   0.759  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.371  -4.939   1.176  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.238  -4.071  -0.051  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.146  -3.420  -0.547  1.00  0.00           O  
HETATM   17  C   UNL     1       1.069  -5.245   1.572  1.00  0.00           C  
HETATM   18  C   UNL     1       1.845  -5.145   0.270  1.00  0.00           C  
HETATM   19  N   UNL     1       1.071  -4.207  -0.510  1.00  0.00           N  
HETATM   20  C   UNL     1       1.596  -3.622  -1.725  1.00  0.00           C  
HETATM   21  C   UNL     1       2.812  -2.763  -1.470  1.00  0.00           C  
HETATM   22  C   UNL     1       1.949  -4.806  -2.589  1.00  0.00           C  
HETATM   23  O   UNL     1       3.102  -5.244  -2.573  1.00  0.00           O  
HETATM   24  N   UNL     1       0.921  -5.340  -3.363  1.00  0.00           N  
HETATM   25  C   UNL     1       1.177  -6.492  -4.226  1.00  0.00           C  
HETATM   26  C   UNL     1       0.060  -7.517  -4.088  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.207  -6.905  -4.344  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.475  -5.866  -3.399  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.423  -4.769  -3.503  1.00  0.00           C  
HETATM   30  S   UNL     1      -4.005  -5.039  -0.498  1.00  0.00           S  
HETATM   31  H   UNL     1      -6.833  -1.090  -1.433  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.525  -1.783   2.610  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.643  -3.112  -2.187  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.903  -4.102   2.978  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.901  -6.480  -0.198  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.921  -4.429   1.970  1.00  0.00           H  
HETATM   37  H   UNL     1       1.201  -6.214   2.062  1.00  0.00           H  
HETATM   38  H   UNL     1       1.424  -4.468   2.260  1.00  0.00           H  
HETATM   39  H   UNL     1       2.861  -4.772   0.421  1.00  0.00           H  
HETATM   40  H   UNL     1       1.872  -6.099  -0.265  1.00  0.00           H  
HETATM   41  H   UNL     1       0.800  -3.063  -2.214  1.00  0.00           H  
HETATM   42  H   UNL     1       3.708  -3.171  -1.953  1.00  0.00           H  
HETATM   43  H   UNL     1       2.655  -1.754  -1.866  1.00  0.00           H  
HETATM   44  H   UNL     1       3.021  -2.684  -0.398  1.00  0.00           H  
HETATM   45  H   UNL     1       2.145  -6.948  -3.999  1.00  0.00           H  
HETATM   46  H   UNL     1       1.213  -6.109  -5.253  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.459  -4.302  -4.494  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.605  -3.993  -2.755  1.00  0.00           H  
HETATM   49  H   UNL     1       0.198  -8.324  -4.814  1.00  0.00           H  
HETATM   50  H   UNL     1       0.050  -7.964  -3.086  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.506  -6.295  -2.390  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.466  -5.458  -3.621  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7    8                                       
CONECT    7    2    2    6   32                                       
CONECT    8    6    9    9   34                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   35                                            
CONECT   14   13   15   17   36                                       
CONECT   15   14   16   16   19                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   37   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   15   18   20                                            
CONECT   20   19   21   22   41                                       
CONECT   21   20   42   43   44                                       
CONECT   22   20   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26   45   46                                       
CONECT   26   25   27   49   50                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   51   52                                       
CONECT   29   24   28   47   48                                       
CONECT   30    5    9                                                 
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
