COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.544   3.639  -0.713  1.00  0.00           O  
HETATM    2  C   UNL     1       2.005   3.370   0.371  1.00  0.00           C  
HETATM    3  O   UNL     1       2.199   4.341   1.278  1.00  0.00           O  
HETATM    4  C   UNL     1       2.355   1.944   0.707  1.00  0.00           C  
HETATM    5  C   UNL     1       2.033   1.044  -0.487  1.00  0.00           C  
HETATM    6  C   UNL     1       2.384  -0.383  -0.151  1.00  0.00           C  
HETATM    7  C   UNL     1       3.628  -1.008  -0.364  1.00  0.00           C  
HETATM    8  C   UNL     1       4.853  -0.373  -0.971  1.00  0.00           C  
HETATM    9  C   UNL     1       5.688   0.248   0.118  1.00  0.00           C  
HETATM   10  O   UNL     1       6.835   0.874  -0.191  1.00  0.00           O  
HETATM   11  O   UNL     1       5.327   0.182   1.269  1.00  0.00           O  
HETATM   12  C   UNL     1       3.522  -2.279   0.074  1.00  0.00           C  
HETATM   13  C   UNL     1       4.612  -3.318   0.044  1.00  0.00           C  
HETATM   14  N   UNL     1       2.257  -2.461   0.551  1.00  0.00           N  
HETATM   15  C   UNL     1       1.566  -1.293   0.415  1.00  0.00           C  
HETATM   16  C   UNL     1       0.134  -1.062   0.823  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.782  -1.280  -0.382  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.228  -1.121   0.026  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.968  -1.947   1.047  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.498  -3.197   0.393  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.296  -3.396  -0.781  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.194  -4.089   1.115  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.537  -0.249  -1.398  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.687   0.430  -1.567  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.843   1.358  -2.338  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.725  -0.114  -0.685  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.142   0.392  -0.599  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.203   1.572   0.374  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.620   2.078   0.460  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.915   3.116   1.258  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.491   1.550  -0.190  1.00  0.00           O  
HETATM   32  H   UNL     1       1.955   5.240   1.018  1.00  0.00           H  
HETATM   33  H   UNL     1       3.419   1.875   0.937  1.00  0.00           H  
HETATM   34  H   UNL     1       1.775   1.621   1.572  1.00  0.00           H  
HETATM   35  H   UNL     1       0.970   1.112  -0.717  1.00  0.00           H  
HETATM   36  H   UNL     1       2.613   1.366  -1.352  1.00  0.00           H  
HETATM   37  H   UNL     1       5.437  -1.134  -1.489  1.00  0.00           H  
HETATM   38  H   UNL     1       4.549   0.397  -1.681  1.00  0.00           H  
HETATM   39  H   UNL     1       7.337   1.257   0.542  1.00  0.00           H  
HETATM   40  H   UNL     1       5.184  -3.272   0.971  1.00  0.00           H  
HETATM   41  H   UNL     1       4.168  -4.308  -0.060  1.00  0.00           H  
HETATM   42  H   UNL     1       5.273  -3.126  -0.801  1.00  0.00           H  
HETATM   43  H   UNL     1       1.908  -3.283   0.928  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.135  -1.761   1.616  1.00  0.00           H  
HETATM   45  H   UNL     1       0.020  -0.040   1.186  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.617  -2.271  -0.805  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.288  -2.220   1.855  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.798  -1.368   1.451  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.514  -4.875   0.652  1.00  0.00           H  
HETATM   50  H   UNL     1       0.299  -0.086  -1.862  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.472   0.717  -1.586  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.792  -0.407  -0.243  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.873   1.247   1.360  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.553   2.371   0.018  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.837   3.405   1.281  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   32                                                 
CONECT    4    2    5   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5   15   15    7                                       
CONECT    7    6    8   12   12                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   11   11   10                                       
CONECT   10    9   39                                                 
CONECT   11    9    9                                                 
CONECT   12    7    7   14   13                                       
CONECT   13   12   40   41   42                                       
CONECT   14   15   12   43                                            
CONECT   15   16    6    6   14                                       
CONECT   16   17   15   44   45                                       
CONECT   17   18   16   23   46                                       
CONECT   18   19   26   26   17                                       
CONECT   19   20   18   47   48                                       
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   20   49                                                 
CONECT   23   17   24   50                                            
CONECT   24   26   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   18   18   24                                       
CONECT   27   28   26   51   52                                       
CONECT   28   29   27   53   54                                       
CONECT   29   31   31   30   28                                       
CONECT   30   29   55                                                 
CONECT   31   29   29                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
