COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.578   0.996   0.400  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.429   0.382  -0.100  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.464  -0.131  -1.412  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.583  -0.011  -2.117  1.00  0.00           N  
HETATM    5  N   UNL     1      -6.653   1.070  -0.368  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.145   3.023   1.760  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.596   1.562   1.796  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.649   0.581  -1.600  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.796   0.687  -2.367  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.353  -0.748  -1.956  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.245   0.277   0.700  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.275   0.191   1.355  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.058   0.083   2.176  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.368  -0.717   3.444  1.00  0.00           C  
HETATM   15  C   UNL     1       0.018  -0.620   1.390  1.00  0.00           C  
HETATM   16  C   UNL     1       1.212   0.022   1.135  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.194  -1.909   0.931  1.00  0.00           C  
HETATM   18  C   UNL     1       0.790  -2.564   0.208  1.00  0.00           C  
HETATM   19  O   UNL     1       0.826  -3.813  -0.344  1.00  0.00           O  
HETATM   20  C   UNL     1       2.217  -4.080  -0.598  1.00  0.00           C  
HETATM   21  O   UNL     1       2.789  -2.771  -0.778  1.00  0.00           O  
HETATM   22  C   UNL     1       1.996  -1.926  -0.060  1.00  0.00           C  
HETATM   23  C   UNL     1       2.211  -0.626   0.408  1.00  0.00           C  
HETATM   24  C   UNL     1       3.494   0.061   0.132  1.00  0.00           C  
HETATM   25  C   UNL     1       4.702  -0.585   0.399  1.00  0.00           C  
HETATM   26  C   UNL     1       5.895   0.049   0.138  1.00  0.00           C  
HETATM   27  C   UNL     1       5.896   1.342  -0.394  1.00  0.00           C  
HETATM   28  C   UNL     1       7.174   2.024  -0.675  1.00  0.00           C  
HETATM   29  O   UNL     1       8.226   1.462  -0.443  1.00  0.00           O  
HETATM   30  O   UNL     1       7.175   3.270  -1.188  1.00  0.00           O  
HETATM   31  C   UNL     1       4.686   1.988  -0.661  1.00  0.00           C  
HETATM   32  C   UNL     1       3.494   1.351  -0.400  1.00  0.00           C  
HETATM   33  H   UNL     1      -5.822   3.597   1.127  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.158   3.433   2.771  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.134   3.082   1.358  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.608   1.504   2.199  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.920   0.988   2.430  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.810   0.331  -3.269  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.585   1.117  -2.002  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.540  -0.831  -1.433  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.386  -1.099  -2.860  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.715   1.080   2.451  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.711  -1.714   3.169  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.467  -0.797   4.052  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.147  -0.208   4.012  1.00  0.00           H  
HETATM   46  H   UNL     1       1.374   1.026   1.498  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.130  -2.406   1.139  1.00  0.00           H  
HETATM   48  H   UNL     1       2.673  -4.583   0.255  1.00  0.00           H  
HETATM   49  H   UNL     1       2.334  -4.679  -1.501  1.00  0.00           H  
HETATM   50  H   UNL     1       4.701  -1.584   0.810  1.00  0.00           H  
HETATM   51  H   UNL     1       6.830  -0.450   0.345  1.00  0.00           H  
HETATM   52  H   UNL     1       8.037   3.675  -1.355  1.00  0.00           H  
HETATM   53  H   UNL     1       4.686   2.986  -1.073  1.00  0.00           H  
HETATM   54  H   UNL     1       2.559   1.848  -0.610  1.00  0.00           H  
CONECT    1    2    2    5    7                                       
CONECT    2    3   11    1    1                                       
CONECT    3   10    4    4    2                                       
CONECT    4    3    3    8                                            
CONECT    5    8    8    1                                            
CONECT    6    7   33   34   35                                       
CONECT    7    1    6   36   37                                       
CONECT    8    4    9    5    5                                       
CONECT    9    8   38   39                                            
CONECT   10    3   40   41                                            
CONECT   11    2   12   12   12                                       
CONECT   12   11   11   11   13                                       
CONECT   13   12   15   14   42                                       
CONECT   14   13   43   44   45                                       
CONECT   15   16   13   17   17                                       
CONECT   16   23   23   15   46                                       
CONECT   17   15   15   18   47                                       
CONECT   18   22   22   17   19                                       
CONECT   19   18   20                                                 
CONECT   20   21   19   48   49                                       
CONECT   21   22   20                                                 
CONECT   22   23   21   18   18                                       
CONECT   23   24   16   16   22                                       
CONECT   24   25   25   32   23                                       
CONECT   25   26   24   24   50                                       
CONECT   26   27   27   25   51                                       
CONECT   27   28   26   26   31                                       
CONECT   28   29   29   30   27                                       
CONECT   29   28   28                                                 
CONECT   30   28   52                                                 
CONECT   31   27   32   32   53                                       
CONECT   32   31   31   24   54                                       
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
