COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.498   0.156   0.004  1.00  0.00           C  
HETATM    2  C   UNL     1       5.971   0.067   0.101  1.00  0.00           C  
HETATM    3  C   UNL     1       7.942  -1.098   0.828  1.00  0.00           C  
HETATM    4  C   UNL     1       8.729  -0.099   0.284  1.00  0.00           C  
HETATM    5  C   UNL     1       8.145   0.985  -0.347  1.00  0.00           C  
HETATM    6  C   UNL     1       6.771   1.073  -0.441  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.679  -0.294   0.337  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.642  -1.086  -0.154  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.626   1.160   0.595  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.787  -1.136   0.534  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.369  -3.525  -0.706  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.590   3.392   0.449  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.286  -0.631  -0.512  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.267  -0.802   0.354  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.086  -0.102  -1.589  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.013  -0.246   0.077  1.00  0.00           C  
HETATM   17  C   UNL     1       0.073   0.959  -0.617  1.00  0.00           C  
HETATM   18  C   UNL     1       1.301   1.518  -0.896  1.00  0.00           C  
HETATM   19  C   UNL     1       1.134  -0.895   0.496  1.00  0.00           C  
HETATM   20  C   UNL     1       2.386  -0.337   0.219  1.00  0.00           C  
HETATM   21  C   UNL     1       2.463   0.879  -0.483  1.00  0.00           C  
HETATM   22  N   UNL     1       3.809   1.171  -0.602  1.00  0.00           N  
HETATM   23  N   UNL     1       3.657  -0.729   0.482  1.00  0.00           N  
HETATM   24  C   UNL     1       6.567  -1.021   0.740  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.118  -2.356  -0.238  1.00  0.00           N  
HETATM   26  N   UNL     1      -5.450  -2.352   0.189  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.673   1.941   0.266  1.00  0.00           N  
HETATM   28  O   UNL     1      -3.638   1.651   1.105  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.894   1.340  -0.275  1.00  0.00           C  
HETATM   30  H   UNL     1       8.404  -1.941   1.319  1.00  0.00           H  
HETATM   31  H   UNL     1       9.805  -0.166   0.352  1.00  0.00           H  
HETATM   32  H   UNL     1       8.765   1.761  -0.769  1.00  0.00           H  
HETATM   33  H   UNL     1       6.316   1.920  -0.933  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.753  -0.831   0.907  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.795  -3.943   0.121  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.064  -4.275  -1.082  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.690  -3.226  -1.505  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.196   3.851  -0.458  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.584   3.790   0.655  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.929   3.616   1.286  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.403  -1.311   1.169  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.829   1.459  -0.938  1.00  0.00           H  
HETATM   43  H   UNL     1       1.361   2.452  -1.435  1.00  0.00           H  
HETATM   44  H   UNL     1       1.063  -1.829   1.034  1.00  0.00           H  
HETATM   45  H   UNL     1       4.194   1.949  -1.035  1.00  0.00           H  
HETATM   46  H   UNL     1       5.953  -1.801   1.166  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.529   1.004   0.545  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.431   2.079  -0.870  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.633   0.489  -0.904  1.00  0.00           H  
CONECT    1   22   23   23    2                                       
CONECT    2    1   24   24    6                                       
CONECT    3   24    4    4   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   32                                       
CONECT    6    2    5    5   33                                       
CONECT    7    8    8    9   10                                       
CONECT    8   13    7    7   25                                       
CONECT    9    7   27   28   28                                       
CONECT   10    7   26   26   34                                       
CONECT   11   25   35   36   37                                       
CONECT   12   27   38   39   40                                       
CONECT   13   14   15   15    8                                       
CONECT   14   13   16   41                                            
CONECT   15   13   13                                                 
CONECT   16   14   17   17   19                                       
CONECT   17   16   16   18   42                                       
CONECT   18   17   21   21   43                                       
CONECT   19   16   20   20   44                                       
CONECT   20   19   19   21   23                                       
CONECT   21   18   18   20   22                                       
CONECT   22   21    1   45                                            
CONECT   23   20    1    1                                            
CONECT   24    2    2    3   46                                       
CONECT   25    8   11   26                                            
CONECT   26   25   10   10                                            
CONECT   27    9   12   29                                            
CONECT   28    9    9                                                 
CONECT   29   27   47   48   49                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
