COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.232   2.476  -0.644  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.442   1.487   0.220  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.685   1.361   0.841  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.649   2.221   0.564  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.436   3.198  -0.300  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.201   3.326  -0.919  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.358   0.526   0.528  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.550  -0.374   1.322  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.158   0.649  -0.073  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.085  -0.301   0.231  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.236  -1.541  -0.653  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.515  -2.256  -0.301  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.511  -3.240   0.670  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.684  -3.894   0.997  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.860  -3.569   0.346  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.863  -2.589  -0.629  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.690  -1.933  -0.952  1.00  0.00           C  
HETATM   18  C   UNL     1       1.250   0.346  -0.035  1.00  0.00           C  
HETATM   19  O   UNL     1       1.300   1.488  -0.439  1.00  0.00           O  
HETATM   20  N   UNL     1       2.388  -0.345   0.175  1.00  0.00           N  
HETATM   21  C   UNL     1       3.685   0.284  -0.083  1.00  0.00           C  
HETATM   22  C   UNL     1       4.637  -0.015   1.076  1.00  0.00           C  
HETATM   23  C   UNL     1       5.936   0.770   0.885  1.00  0.00           C  
HETATM   24  C   UNL     1       5.644   2.269   0.977  1.00  0.00           C  
HETATM   25  C   UNL     1       6.935   0.378   1.976  1.00  0.00           C  
HETATM   26  B   UNL     1       4.288  -0.288  -1.416  1.00  0.00           B  
HETATM   27  O   UNL     1       3.430  -0.616  -2.499  1.00  0.00           O  
HETATM   28  O   UNL     1       5.690  -0.477  -1.537  1.00  0.00           O  
HETATM   29  H   UNL     1      -4.858   0.563   1.547  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.226   3.899  -0.525  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.032   4.126  -1.625  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.004   1.367  -0.707  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.145  -0.593   1.279  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.266  -1.239  -1.700  1.00  0.00           H  
HETATM   35  H   UNL     1       0.610  -2.208  -0.491  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.592  -3.494   1.178  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.682  -4.659   1.758  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.777  -4.082   0.599  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.782  -2.335  -1.137  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.692  -1.167  -1.714  1.00  0.00           H  
HETATM   41  H   UNL     1       2.347  -1.259   0.498  1.00  0.00           H  
HETATM   42  H   UNL     1       3.554   1.362  -0.177  1.00  0.00           H  
HETATM   43  H   UNL     1       4.858  -1.083   1.099  1.00  0.00           H  
HETATM   44  H   UNL     1       4.169   0.279   2.016  1.00  0.00           H  
HETATM   45  H   UNL     1       6.359   0.541  -0.093  1.00  0.00           H  
HETATM   46  H   UNL     1       4.933   2.549   0.200  1.00  0.00           H  
HETATM   47  H   UNL     1       5.222   2.498   1.955  1.00  0.00           H  
HETATM   48  H   UNL     1       6.569   2.829   0.841  1.00  0.00           H  
HETATM   49  H   UNL     1       6.512   0.606   2.955  1.00  0.00           H  
HETATM   50  H   UNL     1       7.143  -0.690   1.911  1.00  0.00           H  
HETATM   51  H   UNL     1       7.860   0.937   1.840  1.00  0.00           H  
HETATM   52  H   UNL     1       2.529  -0.414  -2.213  1.00  0.00           H  
HETATM   53  H   UNL     1       5.848  -0.833  -2.423  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   30                                       
CONECT    6    1    1    5   31                                       
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   32                                            
CONECT   10    9   11   18   33                                       
CONECT   11   10   12   34   35                                       
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   12   12   16   40                                       
CONECT   18   10   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   41                                            
CONECT   21   20   22   26   42                                       
CONECT   22   21   23   43   44                                       
CONECT   23   22   24   25   45                                       
CONECT   24   23   46   47   48                                       
CONECT   25   23   49   50   51                                       
CONECT   26   21   27   28                                            
CONECT   27   26   52                                                 
CONECT   28   26   53                                                 
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
