COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.942   0.566   1.786  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.069   0.492   0.658  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.194  -0.548   0.623  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.313  -0.678  -0.441  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.177  -1.477   1.653  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.287  -2.533   1.614  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.414  -2.664   0.550  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.425  -1.736  -0.475  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.467  -1.878  -1.630  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.225  -1.164  -1.326  1.00  0.00           N  
HETATM   11  C   UNL     1       0.022   0.170  -1.626  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.881   1.050  -2.268  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.100   0.610  -2.645  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.557   2.204  -2.482  1.00  0.00           O  
HETATM   15  C   UNL     1       0.868  -1.712  -0.696  1.00  0.00           C  
HETATM   16  C   UNL     1       1.130  -2.985  -0.193  1.00  0.00           C  
HETATM   17  C   UNL     1       2.343  -3.251   0.401  1.00  0.00           C  
HETATM   18  C   UNL     1       3.313  -2.261   0.506  1.00  0.00           C  
HETATM   19 CL   UNL     1       4.835  -2.623   1.260  1.00  0.00          Cl  
HETATM   20  C   UNL     1       3.079  -1.006   0.020  1.00  0.00           C  
HETATM   21  C   UNL     1       1.854  -0.714  -0.587  1.00  0.00           C  
HETATM   22  C   UNL     1       1.293   0.498  -1.192  1.00  0.00           C  
HETATM   23  S   UNL     1       2.083   2.066  -1.336  1.00  0.00           S  
HETATM   24  C   UNL     1       1.576   2.805   0.181  1.00  0.00           C  
HETATM   25  C   UNL     1       0.771   2.097   1.065  1.00  0.00           C  
HETATM   26  C   UNL     1       0.375   2.679   2.253  1.00  0.00           C  
HETATM   27  C   UNL     1       0.778   3.965   2.563  1.00  0.00           C  
HETATM   28  C   UNL     1       1.579   4.673   1.684  1.00  0.00           C  
HETATM   29  C   UNL     1       1.984   4.095   0.498  1.00  0.00           C  
HETATM   30  H   UNL     1      -6.587   1.440   1.690  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.555  -0.334   1.831  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.352   0.650   2.699  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.322   0.046  -1.242  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.859  -1.375   2.484  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.273  -3.256   2.416  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.718  -3.490   0.522  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.249  -2.934  -1.792  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.918  -1.458  -2.529  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.645   1.283  -3.076  1.00  0.00           H  
HETATM   40  H   UNL     1       0.383  -3.761  -0.269  1.00  0.00           H  
HETATM   41  H   UNL     1       2.543  -4.239   0.790  1.00  0.00           H  
HETATM   42  H   UNL     1       3.837  -0.242   0.105  1.00  0.00           H  
HETATM   43  H   UNL     1       0.455   1.093   0.823  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.250   2.129   2.941  1.00  0.00           H  
HETATM   45  H   UNL     1       0.467   4.418   3.492  1.00  0.00           H  
HETATM   46  H   UNL     1       1.891   5.677   1.929  1.00  0.00           H  
HETATM   47  H   UNL     1       2.614   4.646  -0.185  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    4    4                                       
CONECT    4    3    3    8   33                                       
CONECT    5    3    6    6   34                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6    8    8   36                                       
CONECT    8    4    7    7    9                                       
CONECT    9    8   10   37   38                                       
CONECT   10    9   15   11                                            
CONECT   11   10   22   22   12                                       
CONECT   12   11   14   14   13                                       
CONECT   13   12   39                                                 
CONECT   14   12   12                                                 
CONECT   15   10   16   21   21                                       
CONECT   16   15   17   17   40                                       
CONECT   17   16   16   18   41                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18   21   42                                       
CONECT   21   15   15   20   22                                       
CONECT   22   11   11   21   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   29   29   25                                       
CONECT   25   24   26   26   43                                       
CONECT   26   25   25   27   44                                       
CONECT   27   26   28   28   45                                       
CONECT   28   27   27   29   46                                       
CONECT   29   24   24   28   47                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
