COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.164   4.613   0.085  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.686   3.797  -0.986  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.993   2.678  -0.648  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   1.840  -1.638  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.797   0.703  -1.292  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.583   0.400   0.040  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.074   1.233   1.028  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.773   2.375   0.687  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.815  -0.841   0.415  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.644  -1.712   1.388  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.320  -2.694   0.401  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.402  -2.692  -0.800  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.601  -1.684  -0.767  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.420  -3.636  -1.793  1.00  0.00           N  
HETATM   15  O   UNL     1      -3.621  -2.226   0.040  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.550  -3.267  -0.266  1.00  0.00           C  
HETATM   17  C   UNL     1       0.505  -0.470   1.040  1.00  0.00           C  
HETATM   18  C   UNL     1       0.598  -0.306   2.410  1.00  0.00           C  
HETATM   19  C   UNL     1       1.806   0.035   2.991  1.00  0.00           C  
HETATM   20  C   UNL     1       2.926   0.213   2.204  1.00  0.00           C  
HETATM   21  C   UNL     1       2.839   0.049   0.824  1.00  0.00           C  
HETATM   22  C   UNL     1       1.620  -0.299   0.245  1.00  0.00           C  
HETATM   23  C   UNL     1       4.040   0.240  -0.027  1.00  0.00           C  
HETATM   24  C   UNL     1       5.267   0.584   0.545  1.00  0.00           C  
HETATM   25  C   UNL     1       6.358   0.750  -0.291  1.00  0.00           C  
HETATM   26  C   UNL     1       6.199   0.571  -1.653  1.00  0.00           C  
HETATM   27  N   UNL     1       5.027   0.246  -2.164  1.00  0.00           N  
HETATM   28  C   UNL     1       3.963   0.072  -1.407  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.698   5.472  -0.322  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.837   4.030   0.713  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.320   4.960   0.682  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.668   2.077  -2.679  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.151   3.027   1.460  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.413   0.051  -2.062  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.906   0.993   2.068  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.998  -2.241   2.088  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.385  -1.113   1.916  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.379  -3.692   0.836  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.053  -4.370  -1.752  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.800  -3.571  -2.536  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.671  -3.913   0.603  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.513  -2.830  -0.531  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.175  -3.854  -1.105  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.277  -0.443   3.029  1.00  0.00           H  
HETATM   45  H   UNL     1       1.547  -0.432  -0.825  1.00  0.00           H  
HETATM   46  H   UNL     1       1.873   0.162   4.061  1.00  0.00           H  
HETATM   47  H   UNL     1       3.869   0.479   2.659  1.00  0.00           H  
HETATM   48  H   UNL     1       5.363   0.718   1.613  1.00  0.00           H  
HETATM   49  H   UNL     1       3.021  -0.198  -1.862  1.00  0.00           H  
HETATM   50  H   UNL     1       7.322   1.017   0.116  1.00  0.00           H  
HETATM   51  H   UNL     1       7.048   0.699  -2.309  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    8    8                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   35                                       
CONECT    8    3    3    7   33                                       
CONECT    9    6   10   13   17                                       
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   15   38                                       
CONECT   12   11   13   13   14                                       
CONECT   13    9   12   12                                            
CONECT   14   12   39   40                                            
CONECT   15   11   16                                                 
CONECT   16   15   41   42   43                                       
CONECT   17    9   18   22   22                                       
CONECT   18   17   19   19   44                                       
CONECT   19   18   18   20   46                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   22   23                                       
CONECT   22   17   17   21   45                                       
CONECT   23   21   24   28   28                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   26   50                                       
CONECT   26   25   27   27   51                                       
CONECT   27   26   26   28                                            
CONECT   28   23   23   27   49                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   28                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
