COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.109  -0.060   0.564  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.206  -1.500   0.283  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.127  -2.025  -1.006  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.402  -3.192  -1.265  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.762  -3.810  -0.185  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.992  -4.950  -0.142  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.824  -3.307   1.116  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.561  -2.129   1.353  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.065  -4.184   1.940  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.566  -5.184   1.138  1.00  0.00           C  
HETATM   11  S   UNL     1      -2.554  -6.586   1.505  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.365  -6.637   2.942  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.130  -7.718   0.805  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.084  -6.159   0.759  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.371  -4.939   1.176  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.238  -4.071  -0.051  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.146  -3.420  -0.547  1.00  0.00           O  
HETATM   18  C   UNL     1       1.069  -5.245   1.572  1.00  0.00           C  
HETATM   19  C   UNL     1       1.845  -5.145   0.270  1.00  0.00           C  
HETATM   20  N   UNL     1       1.071  -4.207  -0.510  1.00  0.00           N  
HETATM   21  C   UNL     1       1.596  -3.622  -1.725  1.00  0.00           C  
HETATM   22  C   UNL     1       2.812  -2.763  -1.470  1.00  0.00           C  
HETATM   23  C   UNL     1       1.949  -4.806  -2.589  1.00  0.00           C  
HETATM   24  O   UNL     1       3.102  -5.244  -2.573  1.00  0.00           O  
HETATM   25  N   UNL     1       0.921  -5.340  -3.363  1.00  0.00           N  
HETATM   26  C   UNL     1       1.177  -6.492  -4.226  1.00  0.00           C  
HETATM   27  C   UNL     1       0.060  -7.517  -4.088  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.207  -6.905  -4.344  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.475  -5.866  -3.399  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.423  -4.769  -3.503  1.00  0.00           C  
HETATM   31  H   UNL     1      -6.633  -1.532  -1.833  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.621  -1.721   2.359  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.342  -3.601  -2.268  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.773  -5.528  -0.942  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.902  -4.094   3.005  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.901  -6.480  -0.198  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.921  -4.429   1.970  1.00  0.00           H  
HETATM   38  H   UNL     1       1.201  -6.214   2.062  1.00  0.00           H  
HETATM   39  H   UNL     1       1.424  -4.468   2.260  1.00  0.00           H  
HETATM   40  H   UNL     1       2.861  -4.772   0.421  1.00  0.00           H  
HETATM   41  H   UNL     1       1.872  -6.099  -0.265  1.00  0.00           H  
HETATM   42  H   UNL     1       0.800  -3.063  -2.214  1.00  0.00           H  
HETATM   43  H   UNL     1       3.708  -3.171  -1.953  1.00  0.00           H  
HETATM   44  H   UNL     1       2.655  -1.754  -1.866  1.00  0.00           H  
HETATM   45  H   UNL     1       3.021  -2.684  -0.398  1.00  0.00           H  
HETATM   46  H   UNL     1       2.145  -6.948  -3.999  1.00  0.00           H  
HETATM   47  H   UNL     1       1.213  -6.109  -5.253  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.459  -4.302  -4.494  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.605  -3.993  -2.755  1.00  0.00           H  
HETATM   50  H   UNL     1       0.198  -8.324  -4.814  1.00  0.00           H  
HETATM   51  H   UNL     1       0.050  -7.964  -3.086  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.506  -6.295  -2.390  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.466  -5.458  -3.621  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   10   34                                            
CONECT    7    5    5    8    9                                       
CONECT    8    2    2    7   32                                       
CONECT    9    7   10   10   35                                       
CONECT   10    6    9    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   36                                            
CONECT   15   14   16   18   37                                       
CONECT   16   15   17   17   20                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   38   39                                       
CONECT   19   18   20   40   41                                       
CONECT   20   16   19   21                                            
CONECT   21   20   22   23   42                                       
CONECT   22   21   43   44   45                                       
CONECT   23   21   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27   46   47                                       
CONECT   27   26   28   50   51                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   52   53                                       
CONECT   30   25   29   48   49                                       
CONECT   31    3                                                      
CONECT   32    8                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
