COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.282  -3.702   0.347  1.00  0.00           C  
HETATM    2  C   UNL     1       3.258  -2.441   1.212  1.00  0.00           C  
HETATM    3  N   UNL     1       3.026  -1.270   0.362  1.00  0.00           N  
HETATM    4  C   UNL     1       4.107  -0.523  -0.106  1.00  0.00           C  
HETATM    5  C   UNL     1       4.704  -0.844  -1.310  1.00  0.00           C  
HETATM    6  C   UNL     1       5.780  -0.103  -1.781  1.00  0.00           C  
HETATM    7  C   UNL     1       6.270   0.961  -1.059  1.00  0.00           C  
HETATM    8  C   UNL     1       5.686   1.305   0.159  1.00  0.00           C  
HETATM    9  N   UNL     1       5.938   2.283   1.087  1.00  0.00           N  
HETATM   10  N   UNL     1       5.013   2.142   2.128  1.00  0.00           N  
HETATM   11  C   UNL     1       4.222   1.138   1.881  1.00  0.00           C  
HETATM   12  C   UNL     1       4.591   0.566   0.641  1.00  0.00           C  
HETATM   13  C   UNL     1       1.731  -0.905   0.023  1.00  0.00           C  
HETATM   14  N   UNL     1       0.698  -1.640   0.419  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.540  -1.294   0.097  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.595  -2.083   0.526  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.912  -1.673   0.297  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.896  -2.605  -0.007  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.193  -2.202  -0.234  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.544  -0.854  -0.161  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.890  -0.224  -0.373  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.912   1.229  -0.220  1.00  0.00           N  
HETATM   23  S   UNL     1      -5.339   1.648   0.152  1.00  0.00           S  
HETATM   24  O   UNL     1      -5.333   2.117   1.494  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.825   2.385  -0.949  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.553   0.061   0.145  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.256  -0.328   0.378  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.794  -0.213  -0.625  1.00  0.00           N  
HETATM   29  C   UNL     1       0.189   0.566  -1.054  1.00  0.00           C  
HETATM   30  C   UNL     1       1.494   0.244  -0.736  1.00  0.00           C  
HETATM   31 CL   UNL     1       2.810   1.242  -1.272  1.00  0.00          Cl  
HETATM   32  H   UNL     1       2.326  -3.810  -0.166  1.00  0.00           H  
HETATM   33  H   UNL     1       4.083  -3.623  -0.389  1.00  0.00           H  
HETATM   34  H   UNL     1       3.455  -4.573   0.979  1.00  0.00           H  
HETATM   35  H   UNL     1       2.458  -2.520   1.948  1.00  0.00           H  
HETATM   36  H   UNL     1       4.214  -2.333   1.725  1.00  0.00           H  
HETATM   37  H   UNL     1       4.332  -1.676  -1.889  1.00  0.00           H  
HETATM   38  H   UNL     1       6.237  -0.365  -2.724  1.00  0.00           H  
HETATM   39  H   UNL     1       7.108   1.529  -1.435  1.00  0.00           H  
HETATM   40  H   UNL     1       6.635   2.955   1.031  1.00  0.00           H  
HETATM   41  H   UNL     1       3.415   0.801   2.515  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.420  -2.919   0.986  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.641  -3.653  -0.068  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.947  -2.939  -0.470  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.233  -0.471  -1.378  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.590  -0.654   0.344  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.674   1.822  -0.315  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.504   0.409   0.619  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.029   1.446  -1.641  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    3    1   35   36                                       
CONECT    3    4    2   13                                            
CONECT    4    5    5   12    3                                       
CONECT    5    6    4    4   37                                       
CONECT    6    7    7    5   38                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9   12   12                                       
CONECT    9    8   10   40                                            
CONECT   10    9   11   11                                            
CONECT   11   10   10   12   41                                       
CONECT   12    8    8   11    4                                       
CONECT   13    3   14   14   30                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   28   28                                       
CONECT   16   17   15   42                                            
CONECT   17   27   16   18   18                                       
CONECT   18   17   17   19   43                                       
CONECT   19   20   20   18   44                                       
CONECT   20   21   26   19   19                                       
CONECT   21   22   20   45   46                                       
CONECT   22   23   21   47                                            
CONECT   23   25   25   22   24                                       
CONECT   23   24   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   27   20                                       
CONECT   27   26   26   17   48                                       
CONECT   28   15   15   29                                            
CONECT   29   30   30   28   49                                       
CONECT   30   13   31   29   29                                       
CONECT   31   30                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
