COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.765   2.230  -1.076  1.00  0.00           N  
HETATM    2  C   UNL     1       4.607   1.674  -1.368  1.00  0.00           C  
HETATM    3  C   UNL     1       4.081   0.713  -0.484  1.00  0.00           C  
HETATM    4  C   UNL     1       4.825   0.388   0.680  1.00  0.00           C  
HETATM    5  N   UNL     1       5.993   1.008   0.890  1.00  0.00           N  
HETATM    6  C   UNL     1       6.436   1.901   0.026  1.00  0.00           C  
HETATM    7  C   UNL     1       2.857   0.077  -0.725  1.00  0.00           C  
HETATM    8  C   UNL     1       2.390  -0.861   0.181  1.00  0.00           C  
HETATM    9  C   UNL     1       3.135  -1.175   1.330  1.00  0.00           C  
HETATM   10  C   UNL     1       4.324  -0.567   1.579  1.00  0.00           C  
HETATM   11  N   UNL     1       7.647   2.521   0.275  1.00  0.00           N  
HETATM   12  C   UNL     1       1.096  -1.539  -0.064  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.113  -0.801  -0.068  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.282  -1.431  -0.293  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.322  -2.771  -0.516  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.190  -3.514  -0.521  1.00  0.00           C  
HETATM   17  C   UNL     1       1.050  -2.905  -0.299  1.00  0.00           C  
HETATM   18  C   UNL     1       2.316  -3.722  -0.308  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.095   0.402   0.131  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.473  -0.695  -0.295  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.942  -0.138  -1.477  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.117   0.588  -1.475  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.826   0.761  -0.301  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.368   0.211   0.887  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.184  -0.527   0.882  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.117   1.498  -0.023  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.355   1.305   1.484  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.224   0.500   1.952  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.264   0.886  -0.830  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.967   2.984  -0.354  1.00  0.00           C  
HETATM   31  H   UNL     1       4.073   1.951  -2.265  1.00  0.00           H  
HETATM   32  H   UNL     1       2.282   0.317  -1.607  1.00  0.00           H  
HETATM   33  H   UNL     1       2.756  -1.909   2.025  1.00  0.00           H  
HETATM   34  H   UNL     1       4.885  -0.820   2.467  1.00  0.00           H  
HETATM   35  H   UNL     1       8.153   2.296   1.072  1.00  0.00           H  
HETATM   36  H   UNL     1       7.991   3.181  -0.347  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.273  -3.251  -0.693  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.243  -4.577  -0.701  1.00  0.00           H  
HETATM   39  H   UNL     1       2.519  -4.089   0.698  1.00  0.00           H  
HETATM   40  H   UNL     1       2.197  -4.567  -0.986  1.00  0.00           H  
HETATM   41  H   UNL     1       3.147  -3.101  -0.644  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.390  -0.271  -2.396  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.484   1.021  -2.394  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.819  -0.965   1.799  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.368   2.270   1.990  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.293   0.777   1.654  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.089   0.211   2.868  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.386  -0.161  -0.552  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.186   1.427  -0.618  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.038   0.955  -1.894  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.713   3.097  -1.408  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.905   3.499  -0.149  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.174   3.414   0.258  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3   31                                       
CONECT    3    2    2    4    7                                       
CONECT    4    3   10    5    5                                       
CONECT    5    4    4    6                                            
CONECT    6    1    1    5   11                                       
CONECT    7    3    8    8   32                                       
CONECT    8    7    7    9   12                                       
CONECT    9    8   10   10   33                                       
CONECT   10    4    9    9   34                                       
CONECT   11    6   35   36                                            
CONECT   12    8   17   17   13                                       
CONECT   13   12   19   19   14                                       
CONECT   14   13   15   20                                            
CONECT   15   14   16   16   37                                       
CONECT   16   15   15   17   38                                       
CONECT   17   12   12   16   18                                       
CONECT   18   17   39   40   41                                       
CONECT   19   13   13                                                 
CONECT   20   14   21   21   25                                       
CONECT   21   20   20   22   42                                       
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   26   24                                       
CONECT   24   23   25   25   28                                       
CONECT   25   20   24   24   44                                       
CONECT   26   23   29   30   27                                       
CONECT   27   26   28   45   46                                       
CONECT   28   24   27   47                                            
CONECT   29   26   48   49   50                                       
CONECT   30   26   51   52   53                                       
CONECT   31    2                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
