COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.714  -1.618   0.542  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.132  -0.924   1.586  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.034  -0.117   1.352  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.519  -0.004   0.075  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.322   0.877  -0.180  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.041   0.058  -0.012  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.826   0.951  -0.270  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.545   0.132  -0.102  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.331   1.026  -0.361  1.00  0.00           C  
HETATM   10  C   UNL     1       0.130   0.840  -0.385  1.00  0.00           C  
HETATM   11  N   UNL     1       2.529   2.053  -0.769  1.00  0.00           N  
HETATM   12  C   UNL     1       1.392   2.703  -0.899  1.00  0.00           C  
HETATM   13  C   UNL     1       2.539   0.765  -0.441  1.00  0.00           C  
HETATM   14  N   UNL     1       1.607  -1.181   0.083  1.00  0.00           N  
HETATM   15  C2* UNL     1       5.517   0.597   0.998  1.00  0.00           C  
HETATM   16  C   UNL     1       2.897  -1.346   0.084  1.00  0.00           C  
HETATM   17  C   UNL     1       1.317   0.104  -0.234  1.00  0.00           C  
HETATM   18  C1* UNL     1       4.963   0.043  -0.333  1.00  0.00           C  
HETATM   19  C5* UNL     1       7.712  -2.287   0.219  1.00  0.00           C  
HETATM   20  O4* UNL     1       5.647  -1.215  -0.523  1.00  0.00           O  
HETATM   21  C4* UNL     1       7.012  -0.970  -0.118  1.00  0.00           C  
HETATM   22  O5* UNL     1       7.847  -3.073  -0.967  1.00  0.00           O  
HETATM   23  N   UNL     1       3.517  -0.174  -0.232  1.00  0.00           N  
HETATM   24  C3* UNL     1       6.897  -0.084   1.142  1.00  0.00           C  
HETATM   25  O3* UNL     1       7.938   0.894   1.164  1.00  0.00           O  
HETATM   26  C   UNL     1     -10.199  -1.504  -0.736  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.100  -0.698  -0.969  1.00  0.00           C  
HETATM   28  N   UNL     1       0.219   2.125  -0.715  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.104   0.242  -0.199  1.00  0.00           N  
HETATM   30  O2* UNL     1       5.665   2.017   0.925  1.00  0.00           O  
HETATM   31  H   UNL     1     -11.569  -2.252   0.725  1.00  0.00           H  
HETATM   32  H   UNL     1     -10.534  -1.012   2.584  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.579   0.426   2.168  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.371   1.271  -1.195  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.321   1.703   0.531  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.992  -0.337   1.003  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.042  -0.769  -0.723  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.875   1.345  -1.285  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.825   1.778   0.441  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.497  -0.262   0.913  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.546  -0.694  -0.813  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.379   1.420  -1.376  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.330   1.852   0.350  1.00  0.00           H  
HETATM   44  H   UNL     1       1.419   3.750  -1.166  1.00  0.00           H  
HETATM   45  H2* UNL     1       4.866   0.322   1.827  1.00  0.00           H  
HETATM   46  H   UNL     1       3.403  -2.275   0.304  1.00  0.00           H  
HETATM   47  H1* UNL     1       5.188   0.725  -1.152  1.00  0.00           H  
HETATM   48 H5*1 UNL     1       8.700  -2.079   0.631  1.00  0.00           H  
HETATM   49 H5*2 UNL     1       7.121  -2.836   0.953  1.00  0.00           H  
HETATM   50  H4* UNL     1       7.553  -0.444  -0.905  1.00  0.00           H  
HETATM   51  H5* UNL     1       8.283  -3.924  -0.828  1.00  0.00           H  
HETATM   52  H3* UNL     1       6.927  -0.696   2.043  1.00  0.00           H  
HETATM   53  H3* UNL     1       8.826   0.521   1.253  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.654  -2.046  -1.552  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.698  -0.609  -1.968  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.156  -0.698   0.037  1.00  0.00           H  
HETATM   57  H2* UNL     1       6.010   2.418   1.735  1.00  0.00           H  
CONECT    1    2    2   26   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3   27    5                                       
CONECT    5    4    6   34   35                                       
CONECT    6    5    7   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   29   42   43                                       
CONECT   10   29   17   17   28                                       
CONECT   11   13   13   12                                            
CONECT   12   28   28   11   44                                       
CONECT   13   17   23   11   11                                       
CONECT   14   16   16   17                                            
CONECT   15   30   18   24   45                                       
CONECT   16   14   14   23   46                                       
CONECT   17   14   10   10   13                                       
CONECT   18   23   15   20   47                                       
CONECT   19   21   22   48   49                                       
CONECT   20   18   21                                                 
CONECT   21   24   19   20   50                                       
CONECT   22   19   51                                                 
CONECT   23   16   13   18                                            
CONECT   24   15   21   25   52                                       
CONECT   25   24   53                                                 
CONECT   26    1   27   27   54                                       
CONECT   27   26   26    4   55                                       
CONECT   28   10   12   12                                            
CONECT   29    9   10   56                                            
CONECT   30   15   57                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
