COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.944   6.328   0.008  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.324   4.986  -0.283  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.923   4.174  -0.955  1.00  0.00           O  
HETATM    4  N   UNL     1       0.897   4.688   0.205  1.00  0.00           N  
HETATM    5  C   UNL     1       1.427   3.402   0.029  1.00  0.00           C  
HETATM    6  C   UNL     1       2.800   3.234  -0.136  1.00  0.00           C  
HETATM    7  C   UNL     1       3.335   1.977  -0.310  1.00  0.00           C  
HETATM    8  C   UNL     1       2.503   0.862  -0.322  1.00  0.00           C  
HETATM    9  C   UNL     1       1.119   1.030  -0.156  1.00  0.00           C  
HETATM   10  C   UNL     1       0.586   2.305   0.025  1.00  0.00           C  
HETATM   11  C   UNL     1       0.536  -0.322  -0.217  1.00  0.00           C  
HETATM   12  C   UNL     1       1.570  -1.183  -0.409  1.00  0.00           C  
HETATM   13  N   UNL     1       2.739  -0.490  -0.472  1.00  0.00           N  
HETATM   14  C   UNL     1       4.060  -1.092  -0.672  1.00  0.00           C  
HETATM   15  C   UNL     1       4.727  -1.320   0.686  1.00  0.00           C  
HETATM   16  C   UNL     1       6.086  -1.939   0.480  1.00  0.00           C  
HETATM   17  O   UNL     1       6.479  -2.175  -0.638  1.00  0.00           O  
HETATM   18  O   UNL     1       6.858  -2.230   1.539  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.894  -0.673  -0.095  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.297  -2.017  -0.175  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.623  -2.322  -0.059  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.527  -1.309   0.133  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.092  -0.014   0.206  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.798   0.281   0.097  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.235   0.785   0.404  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.341  -0.085   0.444  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.918  -1.310   0.285  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.266   2.211   0.539  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.290   3.341   0.647  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.047  -3.632  -0.134  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.074  -4.707  -0.340  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.576  -6.001  -0.983  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.228  -5.971   0.507  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.526   6.268   0.927  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.157   7.074   0.124  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.596   6.614  -0.818  1.00  0.00           H  
HETATM   37  H   UNL     1       1.409   5.363   0.677  1.00  0.00           H  
HETATM   38  H   UNL     1       3.450   4.096  -0.127  1.00  0.00           H  
HETATM   39  H   UNL     1       4.401   1.857  -0.437  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.478   2.435   0.157  1.00  0.00           H  
HETATM   41  H   UNL     1       1.478  -2.255  -0.498  1.00  0.00           H  
HETATM   42  H   UNL     1       3.950  -2.047  -1.187  1.00  0.00           H  
HETATM   43  H   UNL     1       4.677  -0.424  -1.273  1.00  0.00           H  
HETATM   44  H   UNL     1       4.838  -0.366   1.201  1.00  0.00           H  
HETATM   45  H   UNL     1       4.110  -1.988   1.287  1.00  0.00           H  
HETATM   46  H   UNL     1       7.721  -2.626   1.357  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.567  -2.799  -0.327  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.371   0.212   0.584  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.991  -3.841  -0.051  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.061  -4.384  -0.583  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.631  -6.053  -1.253  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.893  -6.530  -1.648  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.317  -6.481   0.822  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.054  -6.004   1.218  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   37                                            
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   38                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   11   10                                       
CONECT   10    5    5    9   40                                       
CONECT   11    9   19   12   12                                       
CONECT   12   11   11   13   41                                       
CONECT   13    8   12   14                                            
CONECT   14   13   15   42   43                                       
CONECT   15   14   16   44   45                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   46                                                 
CONECT   19   11   20   24   24                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   30   22                                       
CONECT   22   21   27   23                                            
CONECT   23   22   25   25   24                                       
CONECT   24   19   19   23                                            
CONECT   25   23   23   26   28                                       
CONECT   26   25   27   27   48                                       
CONECT   27   22   26   26                                            
CONECT   28   25   29   29   29                                       
CONECT   29   28   28   28                                            
CONECT   30   21   31   49                                            
CONECT   31   30   32   33   50                                       
CONECT   32   31   33   51   52                                       
CONECT   33   31   32   53   54                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   26                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
