COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.558  -4.390  -0.424  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.324  -3.380  -0.981  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.965  -2.057  -0.889  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.782  -1.770  -0.203  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.093  -0.529   0.092  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.986  -0.850   0.795  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.919  -2.207   0.967  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.994  -2.801   0.372  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.383  -4.134   0.262  1.00  0.00           C  
HETATM   10  C   UNL     1       0.006   0.173   1.302  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.311   1.458   0.643  1.00  0.00           N  
HETATM   12  C   UNL     1       0.686   2.189   0.139  1.00  0.00           C  
HETATM   13  O   UNL     1       1.806   1.726   0.184  1.00  0.00           O  
HETATM   14  C   UNL     1       0.515   3.540  -0.475  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.868   3.986  -0.438  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.871   3.250   0.038  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.984   3.731   0.024  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.713   1.867   0.582  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.491   0.873  -0.292  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.176   5.324  -0.950  1.00  0.00           C  
HETATM   21  C   UNL     1       1.407  -0.254   0.950  1.00  0.00           C  
HETATM   22  C   UNL     1       2.384  -0.289   1.928  1.00  0.00           C  
HETATM   23  C   UNL     1       3.671  -0.680   1.610  1.00  0.00           C  
HETATM   24  C   UNL     1       3.986  -1.039   0.309  1.00  0.00           C  
HETATM   25  O   UNL     1       5.156  -1.454  -0.258  1.00  0.00           O  
HETATM   26  C   UNL     1       4.979  -1.281  -1.676  1.00  0.00           C  
HETATM   27  O   UNL     1       3.555  -1.398  -1.860  1.00  0.00           O  
HETATM   28  C   UNL     1       3.002  -1.004  -0.676  1.00  0.00           C  
HETATM   29  C   UNL     1       1.713  -0.616  -0.349  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.889  -5.413  -0.528  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.232  -3.640  -1.504  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.568  -1.276  -1.327  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.214  -2.675   1.441  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.794  -4.932   0.692  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.089   0.277   2.383  1.00  0.00           H  
HETATM   36  H   UNL     1       0.847   3.502  -1.513  1.00  0.00           H  
HETATM   37  H   UNL     1       1.132   4.257   0.067  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.129   1.850   1.590  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.561   1.006  -0.132  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.253   1.046  -1.342  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.259   5.799  -1.297  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.881   5.243  -1.778  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.618   5.924  -0.154  1.00  0.00           H  
HETATM   44  H   UNL     1       2.141  -0.009   2.942  1.00  0.00           H  
HETATM   45  H   UNL     1       4.432  -0.706   2.375  1.00  0.00           H  
HETATM   46  H   UNL     1       5.326  -0.296  -1.988  1.00  0.00           H  
HETATM   47  H   UNL     1       5.501  -2.064  -2.226  1.00  0.00           H  
HETATM   48  H   UNL     1       0.946  -0.593  -1.110  1.00  0.00           H  
CONECT    1    2    2    9   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   19                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8   33                                            
CONECT    8    4    7    9    9                                       
CONECT    9    1    8    8   34                                       
CONECT   10    6   11   21   35                                       
CONECT   11   10   12   18                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   36   37                                       
CONECT   15   14   16   20                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   11   16   19   38                                       
CONECT   19    5   18   39   40                                       
CONECT   20   15   41   42   43                                       
CONECT   21   10   22   22   29                                       
CONECT   22   21   21   23   44                                       
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   25   28                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   46   47                                       
CONECT   27   26   28                                                 
CONECT   28   24   27   29   29                                       
CONECT   29   21   28   28   48                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
