COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.884   0.059  -0.729  1.00  0.00           C  
HETATM    2  N   UNL     1       6.011   0.572   0.335  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.959  -3.661   0.509  1.00  0.00           O  
HETATM    4  C   UNL     1       8.326   0.495  -0.462  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.192  -1.041   0.649  1.00  0.00           N  
HETATM    6  O   UNL     1       0.488  -2.146  -1.155  1.00  0.00           O  
HETATM    7  C   UNL     1       8.392   2.024  -0.414  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.114  -3.214   0.202  1.00  0.00           N  
HETATM    9  C   UNL     1       7.438   2.534   0.670  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.365   3.558  -0.054  1.00  0.00           N  
HETATM   11  C   UNL     1       6.022   2.039   0.369  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.919   1.830  -0.296  1.00  0.00           N  
HETATM   13  C   UNL     1       3.125  -1.252  -1.001  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.684   1.326   0.022  1.00  0.00           N  
HETATM   15  C   UNL     1       0.761  -1.398  -0.235  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.109  -2.303   0.068  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.840  -0.965   0.121  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.513  -0.524   0.318  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.518  -1.450   0.452  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.840  -2.825   0.391  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.244   0.548  -0.356  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.662   2.208  -0.110  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.937   0.020  -0.028  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.254  -0.408  -0.223  1.00  0.00           C  
HETATM   25  C   UNL     1       2.135  -0.883  -0.086  1.00  0.00           C  
HETATM   26  C   UNL     1       2.450  -0.024   0.971  1.00  0.00           C  
HETATM   27  C   UNL     1       3.733   0.455   1.108  1.00  0.00           C  
HETATM   28  C   UNL     1       4.716   0.085   0.195  1.00  0.00           C  
HETATM   29  C   UNL     1       4.406  -0.770  -0.859  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.434   4.550  -0.199  1.00  0.00           C  
HETATM   31  H   UNL     1       6.831  -1.029  -0.750  1.00  0.00           H  
HETATM   32  H   UNL     1       6.557   0.457  -1.690  1.00  0.00           H  
HETATM   33  H   UNL     1       8.659   0.086   0.492  1.00  0.00           H  
HETATM   34  H   UNL     1       8.971   0.128  -1.260  1.00  0.00           H  
HETATM   35  H   UNL     1       9.410   2.338  -0.181  1.00  0.00           H  
HETATM   36  H   UNL     1       8.097   2.431  -1.381  1.00  0.00           H  
HETATM   37  H   UNL     1       7.757   2.158   1.642  1.00  0.00           H  
HETATM   38  H   UNL     1       7.449   3.624   0.680  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.450   3.848   0.082  1.00  0.00           H  
HETATM   40  H   UNL     1       5.698   2.428  -0.596  1.00  0.00           H  
HETATM   41  H   UNL     1       5.342   2.389   1.147  1.00  0.00           H  
HETATM   42  H   UNL     1       2.885  -1.919  -1.816  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.124  -2.639  -0.082  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.287   0.531   0.361  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.271   0.252  -0.508  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.492  -1.460  -0.268  1.00  0.00           H  
HETATM   47  H   UNL     1       1.687   0.264   1.680  1.00  0.00           H  
HETATM   48  H   UNL     1       3.977   1.119   1.924  1.00  0.00           H  
HETATM   49  H   UNL     1       5.171  -1.055  -1.566  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.011   5.552  -0.128  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.915   4.426  -1.169  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.170   4.409   0.592  1.00  0.00           H  
HETATM   53  H   UNL     1       0.039  -0.501   1.420  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.325  -4.161   0.166  1.00  0.00           H  
CONECT    1    2    4   31   32                                       
CONECT    2    1   11   28                                            
CONECT    3   20   20                                                 
CONECT    4    1    7   33   34                                       
CONECT    5   15   19   53                                            
CONECT    6   15   15                                                 
CONECT    7    4    9   35   36                                       
CONECT    8   16   20   54                                            
CONECT    9    7   11   37   38                                       
CONECT   10   22   30   39                                            
CONECT   11    2    9   40   41                                       
CONECT   12   21   21   22                                            
CONECT   13   25   25   29   42                                       
CONECT   14   22   22   23                                            
CONECT   15    5    6    6   25                                       
CONECT   16    8   17   17   43                                       
CONECT   17   16   16   18   23                                       
CONECT   18   17   19   19   44                                       
CONECT   19    5   18   18   20                                       
CONECT   20    3    3    8   19                                       
CONECT   21   12   12   24   45                                       
CONECT   22   10   12   14   14                                       
CONECT   23   14   17   24   24                                       
CONECT   24   21   23   23   46                                       
CONECT   25   13   13   15   26                                       
CONECT   26   25   27   27   47                                       
CONECT   27   26   26   28   48                                       
CONECT   28    2   27   29   29                                       
CONECT   29   13   28   28   49                                       
CONECT   30   10   50   51   52                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53    5                                                      
CONECT   54    8                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
