COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       1.483   0.183   0.001  1.00  0.00           C  
HETATM    2  O   UNK A   1       1.529   0.771   1.061  1.00  0.00           O  
HETATM    3  O   UNK A   1       8.441  -0.248  -0.618  1.00  0.00           O  
HETATM    4  C   UNK A   1       2.748  -0.358  -0.615  1.00  0.00           C  
HETATM    5  C   UNK A   1       7.653  -0.904   0.021  1.00  0.00           C  
HETATM    6  C   UNK A   1       6.409  -0.258   0.573  1.00  0.00           C  
HETATM    7  C   UNK A   1       5.220  -0.583  -0.333  1.00  0.00           C  
HETATM    8  C   UNK A   1       3.937  -0.033   0.292  1.00  0.00           C  
HETATM    9  N   UNK A   1       6.597   1.198   0.631  1.00  0.00           N  
HETATM   10  O   UNK A   1       7.886  -2.208   0.240  1.00  0.00           O  
HETATM   11  N   UNK A   1       0.302   0.009  -0.623  1.00  0.00           N  
HETATM   12  C   UNK A   1      -0.928   0.530  -0.022  1.00  0.00           C  
HETATM   13  C   UNK A   1      -2.107  -0.267  -0.518  1.00  0.00           C  
HETATM   14  O   UNK A   1      -1.936  -1.180  -1.298  1.00  0.00           O  
HETATM   15  C   UNK A   1      -1.105   1.999  -0.413  1.00  0.00           C  
HETATM   16  S   UNK A   1       0.314   2.958   0.185  1.00  0.00           S  
HETATM   17  N   UNK A   2      -3.351   0.036  -0.096  1.00  0.00           N  
HETATM   18  C   UNK A   2      -4.497  -0.739  -0.578  1.00  0.00           C  
HETATM   19  C   UNK A   2      -4.663  -1.972   0.272  1.00  0.00           C  
HETATM   20  O   UNK A   2      -5.657  -2.837   0.013  1.00  0.00           O  
HETATM   21  C   UNK A   2      -5.763   0.115  -0.492  1.00  0.00           C  
HETATM   22  O   UNK A   2      -5.986   0.500   0.867  1.00  0.00           O  
HETATM   23  C   UNK A   2      -5.594   1.367  -1.355  1.00  0.00           C  
HETATM   24  C   UNK A   2      -7.363   0.680   1.201  1.00  0.00           C  
HETATM   25  O   UNK A   2      -3.903  -2.182   1.188  1.00  0.00           O  
HETATM   26  H   UNK A   1       2.663  -1.439  -0.729  1.00  0.00           H  
HETATM   27  H   UNK A   1       2.901   0.099  -1.592  1.00  0.00           H  
HETATM   28  H   UNK A   1       6.216  -0.639   1.576  1.00  0.00           H  
HETATM   29  H   UNK A   1       5.373  -0.126  -1.311  1.00  0.00           H  
HETATM   30  H   UNK A   1       5.135  -1.664  -0.447  1.00  0.00           H  
HETATM   31  H   UNK A   1       4.022   1.047   0.406  1.00  0.00           H  
HETATM   32  H   UNK A   1       3.784  -0.491   1.269  1.00  0.00           H  
HETATM   33  H   UNK A   1       7.335   1.442   1.274  1.00  0.00           H  
HETATM   34  H   UNK A   1       6.778   1.576  -0.287  1.00  0.00           H  
HETATM   35  H   UNK A   1       8.698  -2.578  -0.135  1.00  0.00           H  
HETATM   36  H   UNK A   1       0.266  -0.461  -1.471  1.00  0.00           H  
HETATM   37  H   UNK A   1      -0.865   0.448   1.063  1.00  0.00           H  
HETATM   38  H   UNK A   1      -1.168   2.081  -1.498  1.00  0.00           H  
HETATM   39  H   UNK A   1      -2.020   2.387   0.035  1.00  0.00           H  
HETATM   40  H   UNK A   1       0.028   4.208  -0.223  1.00  0.00           H  
HETATM   41  H   UNK A   2      -3.487   0.766   0.528  1.00  0.00           H  
HETATM   42  H   UNK A   2      -4.327  -1.033  -1.614  1.00  0.00           H  
HETATM   43  H   UNK A   2      -6.615  -0.461  -0.850  1.00  0.00           H  
HETATM   44  H   UNK A   2      -4.741   1.943  -0.996  1.00  0.00           H  
HETATM   45  H   UNK A   2      -5.424   1.073  -2.391  1.00  0.00           H  
HETATM   46  H   UNK A   2      -6.496   1.976  -1.293  1.00  0.00           H  
HETATM   47  H   UNK A   2      -7.448   0.971   2.248  1.00  0.00           H  
HETATM   48  H   UNK A   2      -7.791   1.460   0.571  1.00  0.00           H  
HETATM   49  H   UNK A   2      -7.902  -0.254   1.039  1.00  0.00           H  
HETATM   50  H   UNK A   2      -5.723  -3.613   0.586  1.00  0.00           H  
CONECT    1    2    2    4   11                                       
CONECT    2    1    1                                                 
CONECT    3    5    5                                                 
CONECT    4    1    8   26   27                                       
CONECT    5    3    3    6   10                                       
CONECT    6    5    7    9   28                                       
CONECT    7    6    8   29   30                                       
CONECT    8    4    7   31   32                                       
CONECT    9    6   33   34                                            
CONECT   10    5   35                                                 
CONECT   11    1   12   36                                            
CONECT   12   11   13   15   37                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   38   39                                       
CONECT   16   15   40                                                 
CONECT   17   13   18   41                                            
CONECT   18   17   19   21   42                                       
CONECT   19   18   20   25   25                                       
CONECT   20   19   50                                                 
CONECT   21   18   22   23   43                                       
CONECT   22   21   24                                                 
CONECT   23   21   44   45   46                                       
CONECT   24   22   47   48   49                                       
CONECT   25   19   19                                                 
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   20                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
