COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.662  -0.749  -0.040  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.441   2.918   0.051  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.987  -0.790   0.022  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.532   3.622   0.122  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.021   3.211   0.230  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.244   4.012   1.514  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.364   4.082  -0.980  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.825  -3.253  -0.054  1.00  0.00           C  
HETATM    9  C   UNL     1       2.132  -0.808  -0.174  1.00  0.00           C  
HETATM   10  C   UNL     1       4.336  -0.388   0.933  1.00  0.00           C  
HETATM   11  C   UNL     1       6.310   0.073  -0.348  1.00  0.00           C  
HETATM   12  C   UNL     1       8.332   0.453   0.842  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.250  -3.266  -2.023  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.657  -2.084  -1.331  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.080  -2.098   0.086  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.618  -2.023   0.018  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.480  -3.720   1.362  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.679  -4.083   2.049  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.010   0.409  -0.039  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.755   1.599   0.029  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.618   2.796   0.151  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.155   1.506   0.094  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.725   0.305   0.087  1.00  0.00           N  
HETATM   24  N   UNL     1       1.371   0.442  -0.104  1.00  0.00           N  
HETATM   25  C   UNL     1       3.605  -0.498  -0.236  1.00  0.00           C  
HETATM   26  C   UNL     1       4.223  -0.323  -1.460  1.00  0.00           C  
HETATM   27  C   UNL     1       5.573  -0.038  -1.519  1.00  0.00           C  
HETATM   28  O   UNL     1       7.638   0.354  -0.403  1.00  0.00           O  
HETATM   29  C   UNL     1       5.687  -0.103   0.879  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.573   4.701   0.154  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.661   2.329   0.236  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.604   4.894   1.509  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.288   4.321   1.573  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.000   3.391   2.376  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.723   4.965  -0.986  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.204   3.512  -1.895  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.407   4.391  -0.922  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.399  -4.027  -0.562  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.905  -3.060  -0.607  1.00  0.00           H  
HETATM   40  H   UNL     1       1.924  -1.411   0.710  1.00  0.00           H  
HETATM   41  H   UNL     1       1.839  -1.361  -1.067  1.00  0.00           H  
HETATM   42  H   UNL     1       3.850  -0.521   1.888  1.00  0.00           H  
HETATM   43  H   UNL     1       9.382   0.680   0.655  1.00  0.00           H  
HETATM   44  H   UNL     1       7.890   1.248   1.442  1.00  0.00           H  
HETATM   45  H   UNL     1       8.255  -0.493   1.377  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.581  -3.325  -2.930  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.291  -1.207  -1.864  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.746  -2.050  -1.280  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.462  -1.242   0.642  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.374  -3.019   0.589  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.816  -4.583   1.308  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.983  -2.913   1.900  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.536  -4.390   2.955  1.00  0.00           H  
HETATM   54  H   UNL     1       1.836   1.293  -0.102  1.00  0.00           H  
HETATM   55  H   UNL     1       3.650  -0.409  -2.371  1.00  0.00           H  
HETATM   56  H   UNL     1       6.056   0.099  -2.475  1.00  0.00           H  
HETATM   57  H   UNL     1       6.258  -0.018   1.792  1.00  0.00           H  
CONECT    1   19   19    3                                            
CONECT    2    4    4   20                                            
CONECT    3   23   23    1   16                                       
CONECT    4    2    2   21   30                                       
CONECT    5    6   21    7   31                                       
CONECT    6    5   32   33   34                                       
CONECT    7    5   35   36   37                                       
CONECT    8   17   16   38   39                                       
CONECT    9   24   25   40   41                                       
CONECT   10   25   25   29   42                                       
CONECT   11   29   29   27   28                                       
CONECT   12   28   43   44   45                                       
CONECT   13   14   46                                                 
CONECT   14   15   13   47   48                                       
CONECT   15   16   14   49   50                                       
CONECT   16    3    8   15                                            
CONECT   17   18    8   51   52                                       
CONECT   18   17   53                                                 
CONECT   19   20   24    1    1                                       
CONECT   20    2   22   22   19                                       
CONECT   21    4    5   22                                            
CONECT   22   21   20   20   23                                       
CONECT   23   22    3    3                                            
CONECT   24   19    9   54                                            
CONECT   25    9   10   10   26                                       
CONECT   26   25   27   27   55                                       
CONECT   27   26   26   11   56                                       
CONECT   28   11   12                                                 
CONECT   29   10   11   11   57                                       
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
