COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.155   1.373   0.979  1.00  0.00           C  
HETATM    2  C   UNL     1       0.157   1.804   1.029  1.00  0.00           C  
HETATM    3  C   UNL     1       1.033   1.473   0.012  1.00  0.00           C  
HETATM    4  I   UNL     1       3.022   2.126   0.087  1.00  0.00           I  
HETATM    5  C   UNL     1       0.596   0.709  -1.055  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.716   0.277  -1.104  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.590   0.605  -0.085  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.021   0.134  -0.139  1.00  0.00           C  
HETATM    9  P   UNL     1      -4.123   1.551  -0.458  1.00  0.00           P  
HETATM   10  O   UNL     1      -3.867   2.690   0.650  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.843   2.100  -1.804  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.656   1.065  -0.384  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.372  -0.482   1.101  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.171  -0.840  -1.179  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.292  -1.953  -1.023  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.565  -2.663   0.307  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.396  -3.455   0.613  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.632  -1.631   1.452  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.136  -1.306   1.662  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.473  -2.676   1.385  1.00  0.00           C  
HETATM   21  N   UNL     1       0.768  -2.484   0.631  1.00  0.00           N  
HETATM   22  C   UNL     1       0.803  -2.785  -0.704  1.00  0.00           C  
HETATM   23  C   UNL     1       1.947  -2.608  -1.399  1.00  0.00           C  
HETATM   24  C   UNL     1       2.005  -2.934  -2.869  1.00  0.00           C  
HETATM   25  C   UNL     1       3.091  -2.112  -0.729  1.00  0.00           C  
HETATM   26  O   UNL     1       4.135  -1.948  -1.334  1.00  0.00           O  
HETATM   27  N   UNL     1       3.015  -1.827   0.587  1.00  0.00           N  
HETATM   28  C   UNL     1       1.861  -2.008   1.255  1.00  0.00           C  
HETATM   29  O   UNL     1       1.807  -1.747   2.441  1.00  0.00           O  
HETATM   30  H   UNL     1      -1.839   1.632   1.774  1.00  0.00           H  
HETATM   31  H   UNL     1       0.498   2.401   1.862  1.00  0.00           H  
HETATM   32  H   UNL     1       1.279   0.453  -1.852  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.057  -0.319  -1.937  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.420   3.476   0.542  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.910   0.693   0.472  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.446  -2.653  -1.844  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.259  -1.603  -1.037  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.463  -3.279   0.253  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.058  -2.091   2.344  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.795  -0.557   0.947  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.947  -0.981   2.685  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.260  -3.181   2.327  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.079  -3.163  -1.198  1.00  0.00           H  
HETATM   44  H   UNL     1       1.734  -2.051  -3.448  1.00  0.00           H  
HETATM   45  H   UNL     1       3.016  -3.245  -3.133  1.00  0.00           H  
HETATM   46  H   UNL     1       1.308  -3.742  -3.090  1.00  0.00           H  
HETATM   47  H   UNL     1       3.795  -1.486   1.053  1.00  0.00           H  
CONECT    1    7    7    2   30                                       
CONECT    2    3    3    1   31                                       
CONECT    3    5    4    2    2                                       
CONECT    4    3                                                      
CONECT    5    6    6    3   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    1    1                                       
CONECT    8   13    7   14    9                                       
CONECT    9    8   11   11   10                                       
CONECT    9   12                                                      
CONECT   10    9   34                                                 
CONECT   11    9    9                                                 
CONECT   12    9   35                                                 
CONECT   13   18    8                                                 
CONECT   14    8   15                                                 
CONECT   15   16   14   36   37                                       
CONECT   16   17   18   15   38                                       
CONECT   17   20   16                                                 
CONECT   18   19   13   16   39                                       
CONECT   19   20   18   40   41                                       
CONECT   20   21   19   17   42                                       
CONECT   21   28   22   20                                            
CONECT   22   23   23   21   43                                       
CONECT   23   25   24   22   22                                       
CONECT   24   23   44   45   46                                       
CONECT   25   26   26   27   23                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   47                                            
CONECT   28   27   29   29   21                                       
CONECT   29   28   28                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
