COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       5.559  -2.467  -0.934  1.00  0.00           C  
HETATM    2  C   UNK A   0       4.156  -1.864  -0.838  1.00  0.00           C  
HETATM    3  C   UNK A   0       4.534  -3.063   0.033  1.00  0.00           C  
HETATM    4  C   UNK A   0       4.745  -2.813   1.528  1.00  0.00           C  
HETATM    5  C   UNK A   0       3.926  -4.420  -0.330  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.019  -0.526  -0.157  1.00  0.00           C  
HETATM    7  N   UNK A   1       3.687   0.565  -0.876  1.00  0.00           N  
HETATM    8  C   UNK A   1       3.457   1.787  -0.230  1.00  0.00           C  
HETATM    9  C   UNK A   1       2.271   2.391  -0.345  1.00  0.00           C  
HETATM   10  O   UNK A   0       4.207  -0.431   1.037  1.00  0.00           O  
HETATM   11  C   UNK A   1       4.524   2.406   0.578  1.00  0.00           C  
HETATM   12  O   UNK A   1       4.334   3.622   1.126  1.00  0.00           O  
HETATM   13  O   UNK A   1       5.574   1.819   0.749  1.00  0.00           O  
HETATM   14  C   UNK A   1       1.144   1.704  -1.073  1.00  0.00           C  
HETATM   15  C   UNK A   1      -0.082   1.630  -0.160  1.00  0.00           C  
HETATM   16  C   UNK A   1      -1.226   0.934  -0.899  1.00  0.00           C  
HETATM   17  C   UNK A   1      -2.452   0.860   0.014  1.00  0.00           C  
HETATM   18  C   UNK A   1      -5.149   0.042   0.361  1.00  0.00           C  
HETATM   19  C   UNK A   1      -6.387  -0.631  -0.235  1.00  0.00           C  
HETATM   20  C   UNK A   1      -7.500  -0.624   0.781  1.00  0.00           C  
HETATM   21  O   UNK A   1      -7.517  -1.538   1.764  1.00  0.00           O  
HETATM   22  O   UNK A   1      -8.377   0.204   0.711  1.00  0.00           O  
HETATM   23  N   UNK A   1      -6.814   0.102  -1.434  1.00  0.00           N  
HETATM   24  S   UNK A   1      -3.809   0.034  -0.862  1.00  0.00           S  
HETATM   25  H   UNK A   0       5.799  -3.040  -1.829  1.00  0.00           H  
HETATM   26  H   UNK A   0       6.383  -1.896  -0.506  1.00  0.00           H  
HETATM   27  H   UNK A   0       3.474  -2.040  -1.669  1.00  0.00           H  
HETATM   28  H   UNK A   0       5.550  -2.092   1.666  1.00  0.00           H  
HETATM   29  H   UNK A   0       3.826  -2.420   1.963  1.00  0.00           H  
HETATM   30  H   UNK A   0       5.007  -3.750   2.019  1.00  0.00           H  
HETATM   31  H   UNK A   0       4.281  -5.176   0.370  1.00  0.00           H  
HETATM   32  H   UNK A   0       2.839  -4.356  -0.277  1.00  0.00           H  
HETATM   33  H   UNK A   0       4.225  -4.693  -1.342  1.00  0.00           H  
HETATM   34  H   UNK A   1       3.608   0.504  -1.841  1.00  0.00           H  
HETATM   35  H   UNK A   1       2.120   3.371   0.083  1.00  0.00           H  
HETATM   36  H   UNK A   1       5.063   3.987   1.647  1.00  0.00           H  
HETATM   37  H   UNK A   1       0.895   2.269  -1.971  1.00  0.00           H  
HETATM   38  H   UNK A   1       1.451   0.696  -1.351  1.00  0.00           H  
HETATM   39  H   UNK A   1       0.168   1.066   0.738  1.00  0.00           H  
HETATM   40  H   UNK A   1      -0.389   2.639   0.118  1.00  0.00           H  
HETATM   41  H   UNK A   1      -1.476   1.498  -1.797  1.00  0.00           H  
HETATM   42  H   UNK A   1      -0.919  -0.074  -1.177  1.00  0.00           H  
HETATM   43  H   UNK A   1      -2.203   0.295   0.912  1.00  0.00           H  
HETATM   44  H   UNK A   1      -2.760   1.868   0.292  1.00  0.00           H  
HETATM   45  H   UNK A   1      -5.389   1.071   0.630  1.00  0.00           H  
HETATM   46  H   UNK A   1      -4.832  -0.502   1.251  1.00  0.00           H  
HETATM   47  H   UNK A   1      -6.147  -1.660  -0.504  1.00  0.00           H  
HETATM   48  H   UNK A   1      -8.251  -1.494   2.392  1.00  0.00           H  
HETATM   49  H   UNK A   1      -7.591  -0.360  -1.882  1.00  0.00           H  
HETATM   50  H   UNK A   1      -7.042   1.059  -1.210  1.00  0.00           H  
CONECT    1    2    3   25   26                                       
CONECT    2    1    3    6   27                                       
CONECT    3    1    2    4    5                                       
CONECT    4    3   28   29   30                                       
CONECT    5    3   31   32   33                                       
CONECT    6    2    7   10   10                                       
CONECT    7    6    8   34                                            
CONECT    8    7    9    9   11                                       
CONECT    9    8    8   14   35                                       
CONECT   10    6    6                                                 
CONECT   11    8   12   13   13                                       
CONECT   12   11   36                                                 
CONECT   13   11   11                                                 
CONECT   14    9   15   37   38                                       
CONECT   15   14   16   39   40                                       
CONECT   16   15   17   41   42                                       
CONECT   17   16   24   43   44                                       
CONECT   18   19   24   45   46                                       
CONECT   19   18   20   23   47                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   48                                                 
CONECT   22   20   20                                                 
CONECT   23   19   49   50                                            
CONECT   24   17   18                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
