COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.201   1.304   1.110  1.00  0.00           C  
HETATM    2  C   UNL     1       4.831  -0.181   1.108  1.00  0.00           C  
HETATM    3  C   UNL     1       5.611  -0.902   2.210  1.00  0.00           C  
HETATM    4  C   UNL     1       4.463   2.008  -0.033  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.344  -0.929  -0.171  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.459  -0.170   0.034  1.00  0.00           C  
HETATM    7  S   UNL     1      -6.177  -0.538   0.262  1.00  0.00           S  
HETATM    8  O   UNL     1      -6.671  -1.052  -0.967  1.00  0.00           O  
HETATM    9  O   UNL     1      -6.310  -1.198   1.513  1.00  0.00           O  
HETATM   10  N   UNL     1      -6.780   1.011   0.438  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.724   1.831   0.331  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.855   3.036   0.419  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.146   1.840  -0.042  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.022   1.077  -0.249  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.104  -0.309  -0.316  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.952  -1.075  -0.527  1.00  0.00           N  
HETATM   17  C   UNL     1       0.320  -0.611  -0.685  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.874  -2.473  -0.611  1.00  0.00           N  
HETATM   19  N   UNL     1       0.357  -2.792  -0.810  1.00  0.00           N  
HETATM   20  C   UNL     1       1.110  -1.692  -0.861  1.00  0.00           C  
HETATM   21  C   UNL     1       2.601  -1.661  -1.076  1.00  0.00           C  
HETATM   22  O   UNL     1       3.056  -0.306  -1.065  1.00  0.00           O  
HETATM   23  C   UNL     1       4.464  -0.164  -1.262  1.00  0.00           C  
HETATM   24  O   UNL     1       5.160  -0.751  -0.160  1.00  0.00           O  
HETATM   25  O   UNL     1       5.180  -2.263   2.285  1.00  0.00           O  
HETATM   26  O   UNL     1       6.611   1.446   0.926  1.00  0.00           O  
HETATM   27  O   UNL     1       3.053   1.923   0.185  1.00  0.00           O  
HETATM   28  C   UNL     1       4.819   1.322  -1.355  1.00  0.00           C  
HETATM   29  O   UNL     1       6.219   1.463  -1.604  1.00  0.00           O  
HETATM   30  H   UNL     1       4.910   1.751   2.061  1.00  0.00           H  
HETATM   31  H   UNL     1       3.762  -0.290   1.289  1.00  0.00           H  
HETATM   32  H   UNL     1       6.676  -0.870   1.981  1.00  0.00           H  
HETATM   33  H   UNL     1       5.429  -0.411   3.165  1.00  0.00           H  
HETATM   34  H   UNL     1       4.763   3.055  -0.071  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.421  -2.005  -0.217  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.704   1.266   0.586  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.063   2.916   0.007  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.063   1.561  -0.362  1.00  0.00           H  
HETATM   39  H   UNL     1       0.636   0.421  -0.673  1.00  0.00           H  
HETATM   40  H   UNL     1       3.094  -2.216  -0.278  1.00  0.00           H  
HETATM   41  H   UNL     1       2.839  -2.117  -2.037  1.00  0.00           H  
HETATM   42  H   UNL     1       4.754  -0.667  -2.184  1.00  0.00           H  
HETATM   43  H   UNL     1       5.634  -2.782   2.963  1.00  0.00           H  
HETATM   44  H   UNL     1       6.917   2.363   0.917  1.00  0.00           H  
HETATM   45  H   UNL     1       2.522   2.349  -0.502  1.00  0.00           H  
HETATM   46  H   UNL     1       4.255   1.781  -2.167  1.00  0.00           H  
HETATM   47  H   UNL     1       6.515   1.051  -2.427  1.00  0.00           H  
HETATM   48  C   UNL     1      -4.404   1.229   0.105  1.00  0.00           C  
CONECT    1    2    4   26   30                                       
CONECT    2    1    3   24   31                                       
CONECT    3    2   25   32   33                                       
CONECT    4    1   27   28   34                                       
CONECT    5    6    6   15   35                                       
CONECT    6    5    5    7   48                                       
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   36                                            
CONECT   11   10   12   12   48                                       
CONECT   12   11   11                                                 
CONECT   13   48   48   14   37                                       
CONECT   14   13   15   15   38                                       
CONECT   15    5   14   14   16                                       
CONECT   16   15   17   18                                            
CONECT   17   16   20   20   39                                       
CONECT   18   16   19   19                                            
CONECT   19   18   18   20                                            
CONECT   20   17   17   19   21                                       
CONECT   21   20   22   40   41                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   28   42                                       
CONECT   24    2   23                                                 
CONECT   25    3   43                                                 
CONECT   26    1   44                                                 
CONECT   27    4   45                                                 
CONECT   28    4   23   29   46                                       
CONECT   29   28   47                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48    6   13   13   11                                       
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
