COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.085  -3.174   0.782  1.00  0.00           N  
HETATM    2  N   UNL     1       4.331   0.344   2.228  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.291  -1.670   1.371  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.192  -0.917   1.007  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.548  -2.394  -0.909  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.456  -1.633  -1.274  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.772  -0.896  -0.316  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.153   2.215  -1.057  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.186   4.258  -0.031  1.00  0.00           C  
HETATM   10  C   UNL     1       1.706   0.547  -0.407  1.00  0.00           C  
HETATM   11  C   UNL     1       3.276   0.726   1.522  1.00  0.00           C  
HETATM   12  C   UNL     1       5.586  -2.475   0.290  1.00  0.00           C  
HETATM   13  C   UNL     1       5.259  -3.141  -0.852  1.00  0.00           C  
HETATM   14  C   UNL     1       4.156  -2.766  -1.614  1.00  0.00           C  
HETATM   15  C   UNL     1       3.678  -1.001  -0.067  1.00  0.00           C  
HETATM   16  O   UNL     1       0.667  -1.271   0.682  1.00  0.00           O  
HETATM   17  C   UNL     1       0.535  -0.351  -0.097  1.00  0.00           C  
HETATM   18  C   UNL     1       2.910   0.090   0.374  1.00  0.00           C  
HETATM   19  C   UNL     1       3.368  -1.712  -1.240  1.00  0.00           C  
HETATM   20  O   UNL     1       2.297  -1.356  -1.995  1.00  0.00           O  
HETATM   21  C   UNL     1       4.802  -1.388   0.709  1.00  0.00           C  
HETATM   22  C   UNL     1       5.093  -0.665   1.877  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.657  -0.131  -0.685  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.788   0.907  -1.710  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.793   2.777  -0.760  1.00  0.00           S  
HETATM   26  C   UNL     1      -0.852   4.247  -0.039  1.00  0.00           C  
HETATM   27 CL   UNL     1       0.097   5.546   0.614  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -0.282   3.121  -0.609  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.972  -2.411   0.414  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.803  -3.957  -0.227  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.528  -3.197   2.178  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.617  -1.686   2.400  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.660  -0.344   1.752  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.080  -2.967  -1.653  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.134  -1.611  -2.304  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.799   5.052   0.370  1.00  0.00           H  
HETATM   37  H   UNL     1       1.926   0.501  -1.474  1.00  0.00           H  
HETATM   38  H   UNL     1       1.460   1.572  -0.130  1.00  0.00           H  
HETATM   39  H   UNL     1       2.691   1.566   1.866  1.00  0.00           H  
HETATM   40  H   UNL     1       6.445  -2.780   0.870  1.00  0.00           H  
HETATM   41  H   UNL     1       5.865  -3.977  -1.171  1.00  0.00           H  
HETATM   42  H   UNL     1       3.921  -3.313  -2.515  1.00  0.00           H  
HETATM   43  H   UNL     1       1.475  -1.801  -1.747  1.00  0.00           H  
HETATM   44  H   UNL     1       5.943  -0.940   2.485  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.568   0.624  -2.417  1.00  0.00           H  
HETATM   46  H   UNL     1       0.159   1.017  -2.239  1.00  0.00           H  
HETATM   47  H   UNL     1       0.787   2.986  -0.686  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.369  -4.954  -0.291  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.853  -4.035   0.054  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.722  -3.462  -1.195  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.022  -4.004   2.707  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.287  -2.245   2.652  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.606  -3.358   2.215  1.00  0.00           H  
CONECT    1   31   30   29                                            
CONECT    2   22   11   11                                            
CONECT    3   29    4    4   32                                       
CONECT    4    3    3    7   33                                       
CONECT    5   29   29    6   34                                       
CONECT    6    5    7    7   35                                       
CONECT    7    6    6    4   23                                       
CONECT    8   24   28   28   25                                       
CONECT    9   26   26   25   36                                       
CONECT   10   18   17   37   38                                       
CONECT   11    2    2   18   39                                       
CONECT   12   13   13   21   40                                       
CONECT   13   12   12   14   41                                       
CONECT   14   13   19   19   42                                       
CONECT   15   21   19   18   18                                       
CONECT   16   17   17                                                 
CONECT   17   10   23   16   16                                       
CONECT   18   15   15   11   10                                       
CONECT   19   14   14   15   20                                       
CONECT   20   19   43                                                 
CONECT   21   12   22   22   15                                       
CONECT   22   21   21    2   44                                       
CONECT   23    7   17   24                                            
CONECT   24   23    8   45   46                                       
CONECT   25    8    9                                                 
CONECT   26   28   27    9    9                                       
CONECT   27   26                                                      
CONECT   28    8    8   26   47                                       
CONECT   29    1    5    5    3                                       
CONECT   30    1   48   49   50                                       
CONECT   31    1   51   52   53                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
