COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.190  -1.344   0.410  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.749  -0.042   0.602  1.00  0.00           C  
HETATM    3  C   UNL     1       0.599   0.249   0.526  1.00  0.00           C  
HETATM    4  C   UNL     1       1.512  -0.760   0.257  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072  -2.062   0.064  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.275  -2.355   0.146  1.00  0.00           C  
HETATM    7  C   UNL     1       4.190   2.886  -0.184  1.00  0.00           C  
HETATM    8  C   UNL     1       4.047   3.362   1.107  1.00  0.00           C  
HETATM    9  C   UNL     1       3.499   2.556   2.087  1.00  0.00           C  
HETATM   10  C   UNL     1       3.093   1.271   1.780  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.470  -0.684   0.221  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.936  -0.961   0.433  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.737   0.261   0.065  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.192   0.424  -1.230  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.927   1.546  -1.568  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.207   2.503  -0.611  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.752   2.339   0.684  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.021   1.216   1.023  1.00  0.00           C  
HETATM   19  C   UNL     1       3.236   0.790   0.486  1.00  0.00           C  
HETATM   20  C   UNL     1       3.786   1.601  -0.496  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.557  -1.640   0.487  1.00  0.00           N  
HETATM   22  N   UNL     1       2.917  -3.014  -1.742  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.111   0.400  -0.189  1.00  0.00           O  
HETATM   24  O   UNL     1       3.270  -3.207   0.692  1.00  0.00           O  
HETATM   25  O   UNL     1       1.478  -4.536  -0.436  1.00  0.00           O  
HETATM   26  O   UNL     1       2.839  -0.473   0.182  1.00  0.00           O  
HETATM   27  S   UNL     1       2.233  -3.344  -0.270  1.00  0.00           S  
HETATM   28 CL   UNL     1       4.872   3.904  -1.414  1.00  0.00          Cl  
HETATM   29  H   UNL     1      -1.460   0.744   0.811  1.00  0.00           H  
HETATM   30  H   UNL     1       0.942   1.262   0.676  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.617  -3.368  -0.004  1.00  0.00           H  
HETATM   32  H   UNL     1       4.363   4.366   1.350  1.00  0.00           H  
HETATM   33  H   UNL     1       3.388   2.930   3.094  1.00  0.00           H  
HETATM   34  H   UNL     1       2.666   0.642   2.546  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.241  -1.799  -0.194  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.111  -1.208   1.480  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.973  -0.323  -1.978  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.282   1.674  -2.580  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.780   3.379  -0.875  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.970   3.087   1.432  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.669   1.086   2.036  1.00  0.00           H  
HETATM   42  H   UNL     1       3.898   1.229  -1.504  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.848  -2.532   0.731  1.00  0.00           H  
HETATM   44  H   UNL     1       2.645  -2.226  -2.238  1.00  0.00           H  
HETATM   45  H   UNL     1       3.589  -3.609  -2.109  1.00  0.00           H  
CONECT    1    6   21    2    2                                       
CONECT    2    1    1    3   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4    5   26    3    3                                       
CONECT    5   27    6    6    4                                       
CONECT    6    5    5    1   31                                       
CONECT    7    8   28   20   20                                       
CONECT    8    9    9    7   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   19   19   34                                       
CONECT   11   21   12   23   23                                       
CONECT   12   11   13   35   36                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   18   18   16   40                                       
CONECT   18   13   17   17   41                                       
CONECT   19   10   10   20   26                                       
CONECT   20    7    7   19   42                                       
CONECT   21    1   11   43                                            
CONECT   22   27   44   45                                            
CONECT   23   11   11                                                 
CONECT   24   27   27                                                 
CONECT   25   27   27                                                 
CONECT   26   19    4                                                 
CONECT   27   25   25   22   24                                       
CONECT   27   24    5                                                 
CONECT   28    7                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
