COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.289   2.586  -6.283  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.176   1.613  -5.308  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.623   0.390  -5.575  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.542  -0.583  -4.680  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.008  -1.847  -4.966  1.00  0.00           N  
HETATM    6  C   UNL     1       0.036  -0.290  -3.421  1.00  0.00           C  
HETATM    7  C   UNL     1       0.167  -1.257  -2.418  1.00  0.00           C  
HETATM    8  C   UNL     1       0.735  -0.881  -1.229  1.00  0.00           C  
HETATM    9  C   UNL     1       1.170   0.427  -1.054  1.00  0.00           C  
HETATM   10  N   UNL     1       1.049   1.329  -2.002  1.00  0.00           N  
HETATM   11  C   UNL     1       0.500   1.026  -3.179  1.00  0.00           C  
HETATM   12  N   UNL     1       0.370   1.939  -4.152  1.00  0.00           N  
HETATM   13  C   UNL     1       0.894  -1.884  -0.116  1.00  0.00           C  
HETATM   14  N   UNL     1       1.529  -1.240   1.035  1.00  0.00           N  
HETATM   15  C   UNL     1       0.742  -0.627   2.016  1.00  0.00           C  
HETATM   16  C   UNL     1       1.341  -0.059   3.131  1.00  0.00           C  
HETATM   17  C   UNL     1       0.562   0.548   4.104  1.00  0.00           C  
HETATM   18  O   UNL     1       1.149   1.104   5.197  1.00  0.00           O  
HETATM   19  C   UNL     1       2.557   0.904   5.056  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.820   0.583   3.964  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.586   1.179   4.918  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.927   0.166   5.867  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.418   0.019   2.843  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.770   0.058   2.703  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.077  -0.599   1.472  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.638  -0.587   1.872  1.00  0.00           C  
HETATM   27  C   UNL     1       2.989  -1.237   1.160  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.308  -2.671  -2.637  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.688   2.370  -7.140  1.00  0.00           H  
HETATM   30  H   UNL     1       0.030   3.485  -6.110  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.841  -2.240  -5.837  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.502  -2.345  -4.296  1.00  0.00           H  
HETATM   33  H   UNL     1       1.620   0.709  -0.114  1.00  0.00           H  
HETATM   34  H   UNL     1       1.516  -2.711  -0.459  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.085  -2.263   0.173  1.00  0.00           H  
HETATM   36  H   UNL     1       2.415  -0.090   3.242  1.00  0.00           H  
HETATM   37  H   UNL     1       3.073   1.335   5.914  1.00  0.00           H  
HETATM   38  H   UNL     1       2.769  -0.163   5.004  1.00  0.00           H  
HETATM   39  H   UNL     1       2.903   1.388   4.143  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.544   0.599   6.654  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.481  -0.627   5.366  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.016  -0.244   6.303  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.156  -0.592   1.315  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.587  -0.077   0.649  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.722  -1.628   1.512  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.103  -1.029   1.004  1.00  0.00           H  
HETATM   47  H   UNL     1       3.271  -0.797   2.117  1.00  0.00           H  
HETATM   48  H   UNL     1       3.360  -2.261   1.107  1.00  0.00           H  
HETATM   49  H   UNL     1       3.422  -0.651   0.349  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.378  -2.728  -2.441  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.110  -2.965  -3.667  1.00  0.00           H  
HETATM   52  H   UNL     1       0.221  -3.341  -1.959  1.00  0.00           H  
CONECT    1    2   29   30                                            
CONECT    2    1    3    3   12                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   31   32                                            
CONECT    6    4    4    7   11                                       
CONECT    7    6    8    8   28                                       
CONECT    8    7    7    9   13                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   11                                            
CONECT   11    6   10   12   12                                       
CONECT   12    2   11   11                                            
CONECT   13    8   14   34   35                                       
CONECT   14   13   15   27                                            
CONECT   15   14   16   16   26                                       
CONECT   16   15   15   17   36                                       
CONECT   17   16   18   20   20                                       
CONECT   18   17   19                                                 
CONECT   19   18   37   38   39                                       
CONECT   20   17   17   21   23                                       
CONECT   21   20   22                                                 
CONECT   22   21   40   41   42                                       
CONECT   23   20   24   26   26                                       
CONECT   24   23   25                                                 
CONECT   25   24   43   44   45                                       
CONECT   26   15   23   23   46                                       
CONECT   27   14   47   48   49                                       
CONECT   28    7   50   51   52                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
