COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.263  -4.600  -0.236  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.255  -3.758  -0.703  1.00  0.00           C  
HETATM    3  C   UNL     1       0.779  -4.089   0.513  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.202  -2.407  -0.419  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.048  -0.067  -1.855  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.398  -0.033  -2.163  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.468   1.202   0.143  1.00  0.00           C  
HETATM    8  C   UNL     1       0.834  -2.735   0.798  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.157  -1.893   0.331  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.579   0.543  -0.712  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.291   0.615  -1.327  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.832   1.237  -0.168  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.970   1.855   1.367  1.00  0.00           C  
HETATM   14  C   UNL     1       3.720   0.347   0.264  1.00  0.00           C  
HETATM   15  C   UNL     1       1.853  -1.939   1.585  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.060   1.166  -0.082  1.00  0.00           C  
HETATM   17  C   UNL     1       0.127  -0.473   0.773  1.00  0.00           C  
HETATM   18  C   UNL     1       1.616  -0.468   1.182  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.109   0.500  -0.384  1.00  0.00           C  
HETATM   20  C   UNL     1       4.595   0.731  -0.902  1.00  0.00           C  
HETATM   21  C   UNL     1       5.958   1.196  -0.386  1.00  0.00           C  
HETATM   22  C   UNL     1       6.846   1.586  -1.569  1.00  0.00           C  
HETATM   23  N   UNL     1       2.466  -0.095   0.048  1.00  0.00           N  
HETATM   24  N   UNL     1       8.155   2.032  -1.074  1.00  0.00           N  
HETATM   25  O   UNL     1      -1.905   1.163   2.522  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.619   3.018   1.335  1.00  0.00           O  
HETATM   27  O   UNL     1       4.146   0.437   1.396  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.643   0.787  -1.407  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.892   1.797   0.477  1.00  0.00           O  
HETATM   30  H   UNL     1      -0.305  -5.657  -0.453  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.070  -4.155  -1.289  1.00  0.00           H  
HETATM   32  H   UNL     1       1.553  -4.748   0.878  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.977  -1.750  -0.784  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.360  -0.579  -2.511  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.756  -0.514  -3.062  1.00  0.00           H  
HETATM   36  H   UNL     1       1.691  -2.069   2.655  1.00  0.00           H  
HETATM   37  H   UNL     1       2.864  -2.247   1.315  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.499  -0.209   1.624  1.00  0.00           H  
HETATM   39  H   UNL     1       0.449   0.166  -1.259  1.00  0.00           H  
HETATM   40  H   UNL     1       0.228   1.495  -0.096  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.572   1.635   3.298  1.00  0.00           H  
HETATM   42  H   UNL     1       4.728  -0.131  -1.555  1.00  0.00           H  
HETATM   43  H   UNL     1       4.122   1.540  -1.459  1.00  0.00           H  
HETATM   44  H   UNL     1       2.125  -0.167  -0.857  1.00  0.00           H  
HETATM   45  H   UNL     1       1.783   0.197   2.029  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.891   1.871  -0.128  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.335   0.286   0.500  1.00  0.00           H  
HETATM   48  H   UNL     1       5.825   2.058   0.268  1.00  0.00           H  
HETATM   49  H   UNL     1       6.430   0.387   0.172  1.00  0.00           H  
HETATM   50  H   UNL     1       6.979   0.723  -2.223  1.00  0.00           H  
HETATM   51  H   UNL     1       6.373   2.394  -2.127  1.00  0.00           H  
HETATM   52  H   UNL     1       8.760   2.295  -1.837  1.00  0.00           H  
HETATM   53  H   UNL     1       8.053   2.789  -0.415  1.00  0.00           H  
CONECT    1    2    3    3   30                                       
CONECT    2    1    4    4   31                                       
CONECT    3    1    1    8   32                                       
CONECT    4    2    2    9   33                                       
CONECT    5    6   10   10   34                                       
CONECT    6    5   11   11   35                                       
CONECT    7   10   12   12   13                                       
CONECT    8    3    9    9   15                                       
CONECT    9    4    8    8   17                                       
CONECT   10    5    5    7   19                                       
CONECT   11    6    6   12   28                                       
CONECT   12    7    7   11   29                                       
CONECT   13    7   25   26   26                                       
CONECT   14   20   23   27   27                                       
CONECT   15    8   18   36   37                                       
CONECT   16   28   29   46   47                                       
CONECT   17    9   18   19   38                                       
CONECT   18   15   17   23   45                                       
CONECT   19   10   17   39   40                                       
CONECT   20   14   21   42   43                                       
CONECT   21   20   22   48   49                                       
CONECT   22   21   24   50   51                                       
CONECT   23   14   18   44                                            
CONECT   24   22   52   53                                            
CONECT   25   13   41                                                 
CONECT   26   13   13                                                 
CONECT   27   14   14                                                 
CONECT   28   11   16                                                 
CONECT   29   12   16                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   25                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   18                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
