COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.757  -0.273   0.714  1.00  0.00           C  
HETATM    2  C   UNL     1       7.333   0.775   1.411  1.00  0.00           C  
HETATM    3  C   UNL     1       6.714   2.012   1.451  1.00  0.00           C  
HETATM    4  C   UNL     1       5.517   2.210   0.796  1.00  0.00           C  
HETATM    5  C   UNL     1       4.928   1.158   0.090  1.00  0.00           C  
HETATM    6  C   UNL     1       5.560  -0.088   0.048  1.00  0.00           C  
HETATM    7  N   UNL     1       3.435   2.182  -1.663  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.156  -0.052  -0.291  1.00  0.00           C  
HETATM    9  C   UNL     1       0.787  -0.545   0.630  1.00  0.00           C  
HETATM   10  C   UNL     1       2.431   0.743  -0.311  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.720  -0.386  -1.199  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.877  -2.434   0.233  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.530  -1.966  -0.321  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.764   1.123   0.569  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.519   2.281   1.171  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.364   0.151  -0.123  1.00  0.00           C  
HETATM   17 CL   UNL     1       7.542  -1.821   0.670  1.00  0.00          Cl  
HETATM   18 CL   UNL     1       4.838  -1.402  -0.827  1.00  0.00          Cl  
HETATM   19  C   UNL     1       3.647   1.363  -0.613  1.00  0.00           C  
HETATM   20  N   UNL     1       2.094   2.116  -2.055  1.00  0.00           N  
HETATM   21  C   UNL     1       1.452   1.265  -1.276  1.00  0.00           C  
HETATM   22  N   UNL     1       0.182   0.828  -1.211  1.00  0.00           N  
HETATM   23  N   UNL     1       2.035  -0.150   0.604  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.467  -0.499  -0.226  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.284   0.116  -1.279  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.011  -1.700  -0.486  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.451  -0.367   0.137  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.677   0.132   1.359  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.501  -0.041   2.564  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.923  -0.043   0.121  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.457   0.990   0.679  1.00  0.00           N  
HETATM   32  S   UNL     1      -7.125  -0.990  -0.641  1.00  0.00           S  
HETATM   33  H   UNL     1       8.271   0.626   1.927  1.00  0.00           H  
HETATM   34  H   UNL     1       7.170   2.825   1.997  1.00  0.00           H  
HETATM   35  H   UNL     1       5.035   3.176   0.830  1.00  0.00           H  
HETATM   36  H   UNL     1       4.111   2.738  -2.081  1.00  0.00           H  
HETATM   37  H   UNL     1       0.476  -1.266   1.371  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.324  -0.183  -2.083  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.981  -3.507   0.075  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.924  -2.218   1.300  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.721  -2.405   0.263  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.438  -2.269  -1.364  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.574   3.094   0.447  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.526   1.960   1.434  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.002   2.626   2.066  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.421   0.077  -0.329  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.867  -0.138  -2.253  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.274   1.199  -1.157  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.791  -2.337  -0.904  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.755  -0.440   1.464  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.438   1.188   1.232  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.660  -1.018   2.755  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.081   0.419   3.358  1.00  0.00           H  
CONECT    1    2    2    6   17                                       
CONECT    2    3    1    1   33                                       
CONECT    3    4    4    2   34                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4   19    6    6                                       
CONECT    6    5    5    1   18                                       
CONECT    7   20   19   36                                            
CONECT    8   24    9   22   22                                       
CONECT    9    8   23   23   37                                       
CONECT   10   23   21   19   19                                       
CONECT   11   26   27   25   38                                       
CONECT   12   26   13   39   40                                       
CONECT   13   12   24   41   42                                       
CONECT   14   16   16   15   31                                       
CONECT   15   14   43   44   45                                       
CONECT   16   32   14   14   46                                       
CONECT   17    1                                                      
CONECT   18    6                                                      
CONECT   19   10   10    5    7                                       
CONECT   20   21   21    7                                            
CONECT   21   22   10   20   20                                       
CONECT   22    8    8   21                                            
CONECT   23    9    9   10                                            
CONECT   24   13   25    8                                            
CONECT   25   11   24   47   48                                       
CONECT   26   11   12   27   49                                       
CONECT   27   26   11   30   28                                       
CONECT   28   27   29   50   51                                       
CONECT   29   28   52   53                                            
CONECT   30   32   27   31   31                                       
CONECT   31   30   30   14                                            
CONECT   32   16   30                                                 
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
