COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.779   2.488  -0.403  1.00  0.00           C  
HETATM    2  C   UNL     1       3.823   1.372  -0.311  1.00  0.00           C  
HETATM    3  C   UNL     1       3.496   0.828   0.935  1.00  0.00           C  
HETATM    4  C   UNL     1       2.600  -0.217   1.013  1.00  0.00           C  
HETATM    5  C   UNL     1       2.026  -0.728  -0.138  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.450  -1.094  -1.038  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.937   0.354  -0.923  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.240   1.864   0.451  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.522   1.869  -0.385  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.702   0.885  -0.527  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.679   0.331   1.489  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.181  -1.118   1.472  1.00  0.00           C  
HETATM   13  C   UNL     1       2.345  -0.195  -1.375  1.00  0.00           C  
HETATM   14  C   UNL     1       3.234   0.854  -1.469  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.627  -1.406   0.140  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.609   0.540   0.371  1.00  0.00           N  
HETATM   17  O   UNL     1       0.900  -2.712  -1.293  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.464   0.956   0.182  1.00  0.00           O  
HETATM   19  O   UNL     1       1.166  -2.735   1.192  1.00  0.00           O  
HETATM   20  S   UNL     1       0.883  -2.065  -0.028  1.00  0.00           S  
HETATM   21  H   UNL     1       5.029   2.906  -1.367  1.00  0.00           H  
HETATM   22  H   UNL     1       3.944   1.225   1.834  1.00  0.00           H  
HETATM   23  H   UNL     1       2.346  -0.638   1.974  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.307  -1.767  -1.075  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.854  -1.212  -1.943  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.085   1.031  -0.990  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.637   0.568  -1.730  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.553   2.618   0.067  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.483   2.088   1.490  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.947   2.873  -0.391  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.291   1.566  -1.406  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.362   0.170  -0.034  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.173   1.868  -0.537  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.516   0.561  -1.551  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.191   0.529   2.430  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.830   1.008   1.388  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.406  -1.248   2.227  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.012  -1.792   1.680  1.00  0.00           H  
HETATM   39  H   UNL     1       1.892  -0.600  -2.269  1.00  0.00           H  
HETATM   40  H   UNL     1       3.482   1.269  -2.435  1.00  0.00           H  
HETATM   41  O   UNL     1       5.280   2.941   0.603  1.00  0.00           O  
CONECT    1    2   21   41   41                                       
CONECT    2    3    3   14    1                                       
CONECT    3    4    2    2   22                                       
CONECT    4    5    5    3   23                                       
CONECT    5   20    4    4   13                                       
CONECT    6    7   15   24   25                                       
CONECT    7   16    6   26   27                                       
CONECT    8    9   16   28   29                                       
CONECT    9   18    8   30   31                                       
CONECT   10   18   32   33   34                                       
CONECT   11   16   12   35   36                                       
CONECT   12   11   15   37   38                                       
CONECT   13    5   14   14   39                                       
CONECT   14   13   13    2   40                                       
CONECT   15    6   12   20                                            
CONECT   16    8    7   11                                            
CONECT   17   20   20                                                 
CONECT   18   10    9                                                 
CONECT   19   20   20                                                 
CONECT   20   15   19   19   17                                       
CONECT   20   17    5                                                 
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41    1    1                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
