COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.735  -1.493   0.271  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.422   0.538   0.047  1.00  0.00           C  
HETATM    3  C   UNL     1       2.982  -0.925   1.088  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.237   2.585  -0.194  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.829   3.118  -0.143  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.811   0.594  -0.214  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.892  -0.759   0.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.582   1.243  -0.200  1.00  0.00           C  
HETATM    9  C   UNL     1       5.570  -0.304   2.332  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.060   3.153  -1.291  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.307   3.576   1.053  1.00  0.00           C  
HETATM   12  C   UNL     1       0.985   4.065   1.100  1.00  0.00           C  
HETATM   13  C   UNL     1       1.232   3.642  -1.243  1.00  0.00           C  
HETATM   14  C   UNL     1       1.756   4.095  -0.047  1.00  0.00           C  
HETATM   15  N   UNL     1       2.349  -1.528  -1.470  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.112  -2.980   0.705  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.487  -0.845   0.286  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.513  -1.833   0.564  1.00  0.00           C  
HETATM   19  C   UNL     1       3.623  -1.289  -1.189  1.00  0.00           C  
HETATM   20  C   UNL     1       1.426  -1.476  -0.521  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.491  -2.818   0.527  1.00  0.00           N  
HETATM   22  C   UNL     1       3.981  -0.974   0.127  1.00  0.00           C  
HETATM   23  N   UNL     1       1.731  -1.181   0.734  1.00  0.00           N  
HETATM   24  S   UNL     1      -0.254  -1.801  -0.941  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.029  -1.596   0.682  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.224   1.178   0.058  1.00  0.00           O  
HETATM   27  S   UNL     1       5.659  -0.647   0.553  1.00  0.00           S  
HETATM   28  O   UNL     1       4.565  -1.344  -2.164  1.00  0.00           O  
HETATM   29  H   UNL     1       3.221  -0.686   2.114  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.843   3.084   0.562  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.661   2.773  -1.181  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.711   1.158  -0.409  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.853  -1.253   0.006  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.535   2.306  -0.384  1.00  0.00           H  
HETATM   35  H   UNL     1       6.568  -0.085   2.710  1.00  0.00           H  
HETATM   36  H   UNL     1       4.919   0.553   2.504  1.00  0.00           H  
HETATM   37  H   UNL     1       5.168  -1.175   2.850  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.469   2.798  -2.226  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.909   3.553   1.949  1.00  0.00           H  
HETATM   40  H   UNL     1       1.393   4.424   2.034  1.00  0.00           H  
HETATM   41  H   UNL     1       1.832   3.669  -2.141  1.00  0.00           H  
HETATM   42  H   UNL     1       2.765   4.477  -0.010  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.158  -3.520   0.581  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.851  -0.583   1.045  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.601  -2.313   1.382  1.00  0.00           H  
HETATM   46  H   UNL     1       4.714  -0.501  -2.615  1.00  0.00           H  
CONECT    1   17   17   21    7                                       
CONECT    2   17   26    8    8                                       
CONECT    3   22   22   23   29                                       
CONECT    4   26    5   30   31                                       
CONECT    5    4   10   10   11                                       
CONECT    6    7    7    8   32                                       
CONECT    7    1    6    6   33                                       
CONECT    8    2    2    6   34                                       
CONECT    9   27   35   36   37                                       
CONECT   10    5    5   13   38                                       
CONECT   11    5   12   12   39                                       
CONECT   12   11   11   14   40                                       
CONECT   13   10   14   14   41                                       
CONECT   14   12   13   13   42                                       
CONECT   15   19   19   20                                            
CONECT   16   18   18   21                                            
CONECT   17   18    1    1    2                                       
CONECT   18   16   16   17   25                                       
CONECT   19   15   15   22   28                                       
CONECT   20   15   23   23   24                                       
CONECT   21   16    1   43                                            
CONECT   22   19    3    3   27                                       
CONECT   23   20   20    3                                            
CONECT   24   20   25                                                 
CONECT   25   18   24   44   45                                       
CONECT   26    2    4                                                 
CONECT   27   22    9                                                 
CONECT   28   19   46                                                 
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
