COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.115   3.273  -2.834  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.308   2.195  -1.915  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.150   2.710  -0.667  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.859   4.055  -0.502  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.699   4.577   0.768  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.828   3.760   1.877  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.119   2.418   1.721  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.287   1.888   0.450  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.582   0.527   0.289  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.872   0.119   0.263  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.788   0.912   0.376  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.123  -1.318   0.092  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.416  -1.841   0.051  1.00  0.00           C  
HETATM   14 CL   UNL     1      -5.790  -0.791   0.204  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -4.594  -3.199  -0.112  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.499  -4.045  -0.236  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.216  -3.548  -0.198  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.008  -2.177  -0.034  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.761  -1.646   0.009  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.569  -0.370   0.156  1.00  0.00           C  
HETATM   21  C   UNL     1       0.849   0.140   0.192  1.00  0.00           C  
HETATM   22  S   UNL     1       1.995  -1.249   0.010  1.00  0.00           S  
HETATM   23  C   UNL     1       3.531  -0.390   0.086  1.00  0.00           C  
HETATM   24  C   UNL     1       4.750  -1.085  -0.009  1.00  0.00           C  
HETATM   25  N   UNL     1       5.095  -2.384  -0.174  1.00  0.00           N  
HETATM   26  C   UNL     1       6.392  -2.487  -0.207  1.00  0.00           C  
HETATM   27  N   UNL     1       6.960  -1.256  -0.072  1.00  0.00           N  
HETATM   28  C   UNL     1       5.942  -0.344   0.052  1.00  0.00           C  
HETATM   29  N   UNL     1       5.877   0.974   0.208  1.00  0.00           N  
HETATM   30  C   UNL     1       4.713   1.582   0.299  1.00  0.00           C  
HETATM   31  N   UNL     1       3.566   0.930   0.241  1.00  0.00           N  
HETATM   32  H   UNL     1      -0.113   3.683  -2.708  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.233   2.906  -3.853  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.854   4.051  -2.640  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.758   4.695  -1.365  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.472   5.625   0.895  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.702   4.172   2.867  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.219   1.783   2.589  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.593  -3.609  -0.144  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.657  -5.106  -0.363  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.373  -4.216  -0.295  1.00  0.00           H  
HETATM   42  H   UNL     1       1.002   0.846  -0.623  1.00  0.00           H  
HETATM   43  H   UNL     1       1.031   0.639   1.144  1.00  0.00           H  
HETATM   44  H   UNL     1       6.937  -3.412  -0.325  1.00  0.00           H  
HETATM   45  H   UNL     1       7.910  -1.060  -0.064  1.00  0.00           H  
HETATM   46  H   UNL     1       4.695   2.655   0.425  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    6    6   36                                       
CONECT    6    5    5    7   37                                       
CONECT    7    6    8    8   38                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   20                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   18                                       
CONECT   13   12   12   14   15                                       
CONECT   14   13                                                      
CONECT   15   13   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   41                                       
CONECT   18   12   17   17   19                                       
CONECT   19   18   20   20                                            
CONECT   20    9   19   19   21                                       
CONECT   21   20   22   42   43                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   24   31                                       
CONECT   24   23   23   25   28                                       
CONECT   25   24   26   26                                            
CONECT   26   25   25   27   44                                       
CONECT   27   26   28   45                                            
CONECT   28   24   27   29   29                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   31   46                                       
CONECT   31   23   30   30                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
