COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.277   0.275   3.459  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.574   1.446   3.679  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.749   1.899   5.084  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.112   0.974   6.040  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.278   1.398   7.359  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.077   2.738   7.691  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.244   3.167   9.024  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.188   2.499   9.897  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.464   4.273   9.542  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.710   3.653   6.704  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.544   3.229   5.386  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.786   2.403   2.686  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.679   2.116   1.293  1.00  0.00           C  
HETATM   14  C   UNL     1       0.750   2.356   0.817  1.00  0.00           C  
HETATM   15  N   UNL     1       0.895   2.088  -0.623  1.00  0.00           N  
HETATM   16  CA  UNL     1       1.080   3.374  -1.297  1.00  0.00           C  
HETATM   17  C   UNL     1       1.803   3.206  -2.624  1.00  0.00           C  
HETATM   18  O   UNL     1       0.986   2.438  -3.489  1.00  0.00           O  
HETATM   19  C   UNL     1       1.875   4.178  -0.282  1.00  0.00           C  
HETATM   20  O   UNL     1       1.762   5.566  -0.541  1.00  0.00           O  
HETATM   21  C   UNL     1       1.187   3.809   1.024  1.00  0.00           C  
HETATM   22  O   UNL     1       2.098   3.905   2.109  1.00  0.00           O  
HETATM   23  H   UNL     1      -1.271  -0.073   5.793  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.564   0.677   8.120  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.184   2.968  10.884  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.919   1.445  10.008  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.197   2.561   9.482  1.00  0.00           H  
HETATM   28  H   UNL     1       0.403   4.454   8.901  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.113   4.048  10.553  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.072   5.181   9.576  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.553   4.700   6.952  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.259   3.951   4.625  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.092   3.341   2.960  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.939   1.076   1.125  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.353   2.764   0.745  1.00  0.00           H  
HETATM   36  H   UNL     1       1.401   1.670   1.373  1.00  0.00           H  
HETATM   37  H   UNL     1       1.731   1.519  -0.761  1.00  0.00           H  
HETATM   38  HA  UNL     1       0.106   3.840  -1.493  1.00  0.00           H  
HETATM   39  H1  UNL     1       2.750   2.688  -2.469  1.00  0.00           H  
HETATM   40  H2  UNL     1       1.987   4.181  -3.074  1.00  0.00           H  
HETATM   41  H   UNL     1       0.232   2.121  -2.962  1.00  0.00           H  
HETATM   42  H   UNL     1       2.939   3.913  -0.270  1.00  0.00           H  
HETATM   43  H   UNL     1       1.802   5.678  -1.505  1.00  0.00           H  
HETATM   44  H   UNL     1       0.342   4.476   1.230  1.00  0.00           H  
HETATM   45  H   UNL     1       2.741   3.184   2.004  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   12    3                                       
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6   24                                       
CONECT    6    5    5   10    7                                       
CONECT    7    6    8    9                                            
CONECT    8    7   25   26   27                                       
CONECT    9    7   28   29   30                                       
CONECT   10    6   11   11   31                                       
CONECT   11    3   10   10   32                                       
CONECT   12    2   13   33                                            
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   21   36                                       
CONECT   15   14   16   37                                            
CONECT   16   15   17   19   38                                       
CONECT   17   16   18   39   40                                       
CONECT   18   17   41                                                 
CONECT   19   16   20   21   42                                       
CONECT   20   19   43                                                 
CONECT   21   14   19   22   44                                       
CONECT   22   21   45                                                 
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
