COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.978   1.479  -0.188  1.00  0.00           C  
HETATM    2  C   UNL     1       3.553   1.767  -1.490  1.00  0.00           C  
HETATM    3  C   UNL     1       3.295   3.071  -1.854  1.00  0.00           C  
HETATM    4  C   UNL     1       3.455   4.095  -0.936  1.00  0.00           C  
HETATM    5  C   UNL     1       3.876   3.818   0.353  1.00  0.00           C  
HETATM    6  C   UNL     1       4.137   2.519   0.733  1.00  0.00           C  
HETATM    7  C   UNL     1       4.250   0.089   0.211  1.00  0.00           C  
HETATM    8  C   UNL     1       5.227  -0.713  -0.270  1.00  0.00           C  
HETATM    9  C   UNL     1       5.148  -2.016   0.392  1.00  0.00           C  
HETATM   10  C   UNL     1       3.496  -0.718   1.242  1.00  0.00           C  
HETATM   11  C   UNL     1       2.052  -0.860   0.835  1.00  0.00           C  
HETATM   12  C   UNL     1       1.673  -1.875  -0.024  1.00  0.00           C  
HETATM   13  C   UNL     1       0.350  -2.007  -0.398  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.600  -1.120   0.089  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.217  -0.103   0.950  1.00  0.00           C  
HETATM   16  C   UNL     1       1.107   0.022   1.326  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.824  -0.300   0.262  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.209  -0.597  -0.253  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.294   0.207   0.135  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.589  -0.087  -0.360  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.763  -1.178  -1.228  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.689  -1.935  -1.582  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.415  -1.642  -1.100  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.120   1.298   1.004  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.194   2.055   1.358  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.468   1.765   0.872  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.674   0.717   0.029  1.00  0.00           C  
HETATM   28  O   UNL     1       4.133  -2.025   1.277  1.00  0.00           O  
HETATM   29  O   UNL     1       6.136  -0.364  -1.219  1.00  0.00           O  
HETATM   30  O   UNL     1       5.892  -2.953   0.176  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.902  -1.248  -0.278  1.00  0.00           O  
HETATM   32  H   UNL     1       3.428   0.969  -2.207  1.00  0.00           H  
HETATM   33  H   UNL     1       2.967   3.295  -2.858  1.00  0.00           H  
HETATM   34  H   UNL     1       3.252   5.115  -1.228  1.00  0.00           H  
HETATM   35  H   UNL     1       3.999   4.622   1.063  1.00  0.00           H  
HETATM   36  H   UNL     1       4.465   2.305   1.740  1.00  0.00           H  
HETATM   37  H   UNL     1       3.565  -0.237   2.218  1.00  0.00           H  
HETATM   38  H   UNL     1       2.412  -2.565  -0.403  1.00  0.00           H  
HETATM   39  H   UNL     1       0.055  -2.800  -1.069  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.954   0.589   1.331  1.00  0.00           H  
HETATM   41  H   UNL     1       1.404   0.812   2.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.531   0.705  -0.043  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.819  -0.366   1.349  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.744  -1.415  -1.612  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.825  -2.773  -2.249  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.578  -2.256  -1.400  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.139   1.534   1.389  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.058   2.892   2.026  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.304   2.381   1.169  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.667   0.504  -0.340  1.00  0.00           H  
HETATM   51  H   UNL     1       6.762  -1.067  -1.440  1.00  0.00           H  
CONECT    1    6    7    2    2                                       
CONECT    2    1    1    3   32                                       
CONECT    3    4    4    2   33                                       
CONECT    4    5    3    3   34                                       
CONECT    5    6    6    4   35                                       
CONECT    6    5    5    1   36                                       
CONECT    7    8    8    1   10                                       
CONECT    8   29    9    7    7                                       
CONECT    9   30   30    8   28                                       
CONECT   10    7   28   11   37                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   38                                       
CONECT   13   12   14   14   39                                       
CONECT   14   13   13   15   31                                       
CONECT   15   16   16   14   40                                       
CONECT   16   11   15   15   41                                       
CONECT   17   31   18   42   43                                       
CONECT   18   17   19   19   23                                       
CONECT   19   24   18   18   20                                       
CONECT   20   19   27   21   21                                       
CONECT   21   20   20   22   44                                       
CONECT   22   23   23   21   45                                       
CONECT   23   18   22   22   46                                       
CONECT   24   25   25   19   47                                       
CONECT   25   24   24   26   48                                       
CONECT   26   25   27   27   49                                       
CONECT   27   26   26   20   50                                       
CONECT   28    9   10                                                 
CONECT   29    8   51                                                 
CONECT   30    9    9                                                 
CONECT   31   14   17                                                 
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
