COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  I   UNL     1       6.876  -0.787  -0.146  1.00  0.00           I  
HETATM    2  C   UNL     1       5.060   0.151   0.315  1.00  0.00           C  
HETATM    3  C   UNL     1       4.915   1.512   0.119  1.00  0.00           C  
HETATM    4  C   UNL     1       3.717   2.131   0.424  1.00  0.00           C  
HETATM    5  C   UNL     1       4.006  -0.591   0.815  1.00  0.00           C  
HETATM    6  C   UNL     1       2.809   0.028   1.124  1.00  0.00           C  
HETATM    7  C   UNL     1       2.663   1.388   0.923  1.00  0.00           C  
HETATM    8  C   UNL     1       1.357   2.063   1.255  1.00  0.00           C  
HETATM    9  C   UNL     1       0.449   2.049   0.024  1.00  0.00           C  
HETATM   10  O   UNL     1       1.074   2.729  -1.066  1.00  0.00           O  
HETATM   11  O   UNL     1       0.091   2.773  -2.158  1.00  0.00           O  
HETATM   12  N   UNL     1       0.111   0.666  -0.353  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.158   0.535  -0.267  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.792   1.700   0.141  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.894   2.679   0.346  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.111   3.816   0.709  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.186   1.762   0.294  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.980  -0.713  -0.557  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.150  -1.542   0.718  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.859  -2.830   0.388  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.129  -3.950   0.034  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.779  -5.132  -0.268  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.159  -5.194  -0.216  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.889  -4.075   0.138  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.239  -2.895   0.445  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.292  -0.219  -1.029  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.927   0.795  -0.286  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.398   0.800  -0.143  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.982   1.145   1.078  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.354   1.149   1.207  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.208   0.466  -1.229  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.580   0.468  -1.091  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.156   0.811   0.125  1.00  0.00           C  
HETATM   34  O   UNL     1      -9.509   0.816   0.257  1.00  0.00           O  
HETATM   35  H   UNL     1       5.738   2.092  -0.272  1.00  0.00           H  
HETATM   36  H   UNL     1       3.604   3.194   0.271  1.00  0.00           H  
HETATM   37  H   UNL     1       4.118  -1.655   0.968  1.00  0.00           H  
HETATM   38  H   UNL     1       1.986  -0.551   1.515  1.00  0.00           H  
HETATM   39  H   UNL     1       1.547   3.094   1.556  1.00  0.00           H  
HETATM   40  H   UNL     1       0.871   1.530   2.072  1.00  0.00           H  
HETATM   41  H   UNL     1       0.514   3.233  -2.896  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.651   2.557   0.859  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.500  -1.309  -1.333  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.171  -1.764   1.141  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.739  -0.978   1.442  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.051  -3.901  -0.006  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.209  -6.006  -0.545  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.667  -6.117  -0.453  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.967  -4.124   0.179  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.809  -2.020   0.722  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.703  -0.583  -1.828  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.358   1.407   1.920  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.806   1.415   2.151  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.761   0.200  -2.176  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.207   0.206  -1.930  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.809   1.705   0.023  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   35                                       
CONECT    4    3    7    7   36                                       
CONECT    5    2    6    6   37                                       
CONECT    6    5    5    7   38                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9   39   40                                       
CONECT    9    8   10   12   15                                       
CONECT   10    9   11                                                 
CONECT   11   10   41                                                 
CONECT   12    9   13   13                                            
CONECT   13   12   12   14   18                                       
CONECT   14   13   15   17                                            
CONECT   15    9   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   14   27   27   42                                       
CONECT   18   13   19   26   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   46                                       
CONECT   22   21   23   23   47                                       
CONECT   23   22   22   24   48                                       
CONECT   24   23   25   25   49                                       
CONECT   25   20   24   24   50                                       
CONECT   26   18   27   51                                            
CONECT   27   17   17   26   28                                       
CONECT   28   27   29   29   31                                       
CONECT   29   28   28   30   52                                       
CONECT   30   29   33   33   53                                       
CONECT   31   28   32   32   54                                       
CONECT   32   31   31   33   55                                       
CONECT   33   30   30   32   34                                       
CONECT   34   33   56                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
