COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.673   1.445  -0.048  1.00  0.00           C  
HETATM    2  N   UNL     1       2.946  -0.218  -0.393  1.00  0.00           N  
HETATM    3  O   UNL     1       4.728  -0.835   1.145  1.00  0.00           O  
HETATM    4  S   UNL     1       4.235   0.327   0.492  1.00  0.00           S  
HETATM    5  C   UNL     1       5.422   0.911  -0.749  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.880  -1.192  -0.158  1.00  0.00           N  
HETATM    7  O   UNL     1       3.713   1.419   1.236  1.00  0.00           O  
HETATM    8  C   UNL     1       2.867  -1.616  -0.848  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.592   0.680  -0.573  1.00  0.00           N  
HETATM   10  O   UNL     1      -6.900   0.432   0.715  1.00  0.00           O  
HETATM   11  C   UNL     1       1.664  -2.268  -0.166  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.918   0.881  -0.461  1.00  0.00           N  
HETATM   13  C   UNL     1       0.453  -1.383  -0.263  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.803  -1.954  -0.086  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.772   0.107  -0.396  1.00  0.00           C  
HETATM   16  C   UNL     1       0.528  -0.030  -0.518  1.00  0.00           C  
HETATM   17  C   UNL     1       1.836   0.673  -0.749  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.231   0.262  -0.267  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.302   1.103  -0.969  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.679   0.493  -0.695  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.957  -0.379   1.419  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.551   0.196   1.230  1.00  0.00           C  
HETATM   23  H   UNL     1       6.396   2.271   0.608  1.00  0.00           H  
HETATM   24  H   UNL     1       7.126   0.649   0.543  1.00  0.00           H  
HETATM   25  H   UNL     1       7.386   1.796  -0.794  1.00  0.00           H  
HETATM   26  H   UNL     1       4.969   1.707  -1.339  1.00  0.00           H  
HETATM   27  H   UNL     1       5.699   0.085  -1.405  1.00  0.00           H  
HETATM   28  H   UNL     1       2.738  -1.645  -1.929  1.00  0.00           H  
HETATM   29  H   UNL     1       3.779  -2.146  -0.571  1.00  0.00           H  
HETATM   30  H   UNL     1       1.451  -3.221  -0.648  1.00  0.00           H  
HETATM   31  H   UNL     1       1.898  -2.442   0.885  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.851   1.833  -0.634  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.897  -3.012   0.110  1.00  0.00           H  
HETATM   34  H   UNL     1       1.878   1.571  -0.133  1.00  0.00           H  
HETATM   35  H   UNL     1       1.915   0.950  -1.800  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.226  -0.744  -0.685  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.273   2.123  -0.586  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.114   1.110  -2.043  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.721  -0.512  -1.114  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.449   1.112  -1.157  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.206  -0.389   2.480  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.989  -1.396   1.028  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.825  -0.446   1.729  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.506   1.198   1.657  1.00  0.00           H  
CONECT    1    5   23   24   25                                       
CONECT    2    4    8   17                                            
CONECT    3    4    4                                                 
CONECT    4    2    3    3    5                                       
CONECT    4    7    7                                                 
CONECT    5    1    4   26   27                                       
CONECT    6   14   14   15                                            
CONECT    7    4    4                                                 
CONECT    8    2   11   28   29                                       
CONECT    9   15   15   16                                            
CONECT   10   20   21                                                 
CONECT   11    8   13   30   31                                       
CONECT   12   15   18   32                                            
CONECT   13   11   14   16   16                                       
CONECT   14    6    6   13   33                                       
CONECT   15    6    9    9   12                                       
CONECT   16    9   13   13   17                                       
CONECT   17    2   16   34   35                                       
CONECT   18   12   19   22   36                                       
CONECT   19   18   20   37   38                                       
CONECT   20   10   19   39   40                                       
CONECT   21   10   22   41   42                                       
CONECT   22   18   21   43   44                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
