COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.894   1.512  -1.048  1.00  0.00           C  
HETATM    2  C   UNL     1       4.876   0.666  -0.569  1.00  0.00           C  
HETATM    3  O   UNL     1       6.183   0.898  -0.866  1.00  0.00           O  
HETATM    4  C   UNL     1       4.521  -0.426   0.219  1.00  0.00           C  
HETATM    5  O   UNL     1       5.479  -1.262   0.700  1.00  0.00           O  
HETATM    6  C   UNL     1       4.805  -2.267   1.460  1.00  0.00           C  
HETATM    7  C   UNL     1       3.189  -0.653   0.508  1.00  0.00           C  
HETATM    8  C   UNL     1       2.205   0.197   0.019  1.00  0.00           C  
HETATM    9  C   UNL     1       0.774  -0.123   0.355  1.00  0.00           C  
HETATM   10  C   UNL     1       0.344  -1.352  -0.403  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.585  -1.291  -1.181  1.00  0.00           O  
HETATM   12  N   UNL     1       0.991  -2.519  -0.217  1.00  0.00           N  
HETATM   13  O   UNL     1       0.586  -3.674  -0.930  1.00  0.00           O  
HETATM   14  C   UNL     1       2.555   1.282  -0.753  1.00  0.00           C  
HETATM   15  C   UNL     1       1.544   2.254  -1.303  1.00  0.00           C  
HETATM   16  C   UNL     1       0.150   1.631  -1.330  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.090   1.001  -0.020  1.00  0.00           N  
HETATM   18  S   UNL     1      -1.283   1.546   0.991  1.00  0.00           S  
HETATM   19  O   UNL     1      -0.908   1.121   2.294  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.534   2.890   0.604  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.752   0.653   0.602  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.624   1.143  -0.352  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.773   0.442  -0.664  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.057  -0.748  -0.010  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.190  -1.436  -0.310  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.874  -0.687  -1.317  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.180  -1.237   0.947  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.030  -0.535   1.251  1.00  0.00           C  
HETATM   29  H   UNL     1       4.170   2.360  -1.659  1.00  0.00           H  
HETATM   30  H   UNL     1       6.531   1.469  -0.167  1.00  0.00           H  
HETATM   31  H   UNL     1       4.255  -1.798   2.276  1.00  0.00           H  
HETATM   32  H   UNL     1       4.110  -2.805   0.815  1.00  0.00           H  
HETATM   33  H   UNL     1       5.536  -2.965   1.869  1.00  0.00           H  
HETATM   34  H   UNL     1       2.910  -1.499   1.120  1.00  0.00           H  
HETATM   35  H   UNL     1       0.685  -0.307   1.425  1.00  0.00           H  
HETATM   36  H   UNL     1       1.734  -2.569   0.404  1.00  0.00           H  
HETATM   37  H   UNL     1       1.172  -4.392  -0.654  1.00  0.00           H  
HETATM   38  H   UNL     1       1.831   2.534  -2.316  1.00  0.00           H  
HETATM   39  H   UNL     1       1.526   3.145  -0.676  1.00  0.00           H  
HETATM   40  H   UNL     1       0.097   0.877  -2.116  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.597   2.405  -1.509  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.405   2.072  -0.858  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.455   0.825  -1.409  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.235  -0.591  -2.195  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.794  -1.203  -1.592  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.114   0.304  -0.933  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.397  -2.165   1.455  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.347  -0.916   1.996  1.00  0.00           H  
CONECT    1    2   14   14   29                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   30                                                 
CONECT    4    2    2    5    7                                       
CONECT    5    4    6                                                 
CONECT    6    5   31   32   33                                       
CONECT    7    4    8    8   34                                       
CONECT    8    7    7    9   14                                       
CONECT    9    8   10   17   35                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   36                                            
CONECT   13   12   37                                                 
CONECT   14    1    1    8   15                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   17   40   41                                       
CONECT   17    9   16   18                                            
CONECT   18   17   19   19   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   28   28                                       
CONECT   22   21   23   23   42                                       
CONECT   23   22   22   24   43                                       
CONECT   24   23   25   27   27                                       
CONECT   25   24   26                                                 
CONECT   26   25   44   45   46                                       
CONECT   27   24   24   28   47                                       
CONECT   28   21   21   27   48                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
