COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.398  -2.961   0.196  1.00  0.00           O  
HETATM    2  C   UNL     1       2.375  -1.752   0.057  1.00  0.00           C  
HETATM    3  C   UNL     1       3.546  -0.856   0.109  1.00  0.00           C  
HETATM    4  C   UNL     1       4.903  -1.141   0.317  1.00  0.00           C  
HETATM    5  C   UNL     1       5.830  -0.120   0.323  1.00  0.00           C  
HETATM    6  O   UNL     1       7.146  -0.397   0.526  1.00  0.00           O  
HETATM    7  C   UNL     1       7.497  -1.768   0.725  1.00  0.00           C  
HETATM    8  C   UNL     1       5.418   1.197   0.122  1.00  0.00           C  
HETATM    9  O   UNL     1       6.332   2.202   0.127  1.00  0.00           O  
HETATM   10  C   UNL     1       5.840   3.527  -0.086  1.00  0.00           C  
HETATM   11  C   UNL     1       4.076   1.481  -0.086  1.00  0.00           C  
HETATM   12  C   UNL     1       3.143   0.464  -0.091  1.00  0.00           C  
HETATM   13  C   UNL     1       1.647   0.493  -0.289  1.00  0.00           C  
HETATM   14  C   UNL     1       1.175  -0.939  -0.196  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.077  -1.377  -0.312  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.197  -0.400  -0.564  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.895  -0.750  -1.880  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.069   0.207  -2.100  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.212  -0.479   0.580  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.376   0.471   0.289  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.011   0.094  -0.980  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.218   0.896  -1.224  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.258   0.567  -0.184  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.302   1.281   0.999  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.256   0.979   1.953  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.166  -0.037   1.724  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.121  -0.750   0.541  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.171  -0.445  -0.416  1.00  0.00           C  
HETATM   29  H   UNL     1       5.223  -2.161   0.473  1.00  0.00           H  
HETATM   30  H   UNL     1       8.574  -1.850   0.874  1.00  0.00           H  
HETATM   31  H   UNL     1       6.978  -2.152   1.604  1.00  0.00           H  
HETATM   32  H   UNL     1       7.207  -2.349  -0.151  1.00  0.00           H  
HETATM   33  H   UNL     1       6.670   4.232  -0.057  1.00  0.00           H  
HETATM   34  H   UNL     1       5.351   3.581  -1.059  1.00  0.00           H  
HETATM   35  H   UNL     1       5.123   3.778   0.696  1.00  0.00           H  
HETATM   36  H   UNL     1       3.760   2.502  -0.242  1.00  0.00           H  
HETATM   37  H   UNL     1       1.179   1.096   0.489  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.291  -2.432  -0.226  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.792   0.610  -0.622  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.188  -0.654  -2.704  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.264  -1.775  -1.835  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.697   1.230  -2.159  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.577  -0.049  -3.030  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.586  -1.499   0.664  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.730  -0.190   1.515  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.107   0.406   1.095  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.002   1.492   0.219  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.967   1.955  -1.165  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.610   0.669  -2.215  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.592   2.074   1.178  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.291   1.537   2.877  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.910  -0.273   2.469  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.831  -1.544   0.362  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.136  -1.002  -1.340  1.00  0.00           H  
HETATM   55  H   UNL     1       1.408   0.899  -1.272  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   14    1    1    3                                       
CONECT    3    2   12   12    4                                       
CONECT    4    3    5    5   29                                       
CONECT    5    4    4    8    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   30   31   32                                       
CONECT    8   11   11    5    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   33   34   35                                       
CONECT   11   12    8    8   36                                       
CONECT   12   13    3    3   11                                       
CONECT   13   14   12   37   55                                       
CONECT   14   15   15   13    2                                       
CONECT   15   16   14   14   38                                       
CONECT   16   17   19   15   39                                       
CONECT   17   18   16   40   41                                       
CONECT   18   21   17   42   43                                       
CONECT   19   20   16   44   45                                       
CONECT   20   21   19   46   47                                       
CONECT   21   22   18   20                                            
CONECT   22   23   21   48   49                                       
CONECT   23   24   24   28   22                                       
CONECT   24   25   23   23   50                                       
CONECT   25   26   26   24   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   26   28   28   53                                       
CONECT   28   27   27   23   54                                       
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   13                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
