COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.345   2.499   1.311  1.00  0.00           C  
HETATM    2  C   UNL     1       0.517  -2.684   0.598  1.00  0.00           C  
HETATM    3  C   UNL     1       2.355   4.009   1.064  1.00  0.00           C  
HETATM    4  O   UNL     1       1.114   2.127   1.934  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.901  -2.390   0.380  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.322  -1.069   0.172  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.842  -3.429   0.373  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.658  -0.802  -0.032  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.164  -3.152   0.170  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.583  -1.841  -0.030  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.898  -1.574  -0.231  1.00  0.00           O  
HETATM   12  C   UNL     1       2.349   0.280   0.204  1.00  0.00           C  
HETATM   13  C   UNL     1       2.919  -1.820   0.555  1.00  0.00           C  
HETATM   14  C   UNL     1       5.359  -0.287  -1.033  1.00  0.00           C  
HETATM   15  C   UNL     1       2.483   1.764  -0.024  1.00  0.00           C  
HETATM   16  C   UNL     1       1.455  -1.682   0.476  1.00  0.00           C  
HETATM   17  C   UNL     1       4.820  -0.194   0.371  1.00  0.00           C  
HETATM   18  I   UNL     1      -3.296   1.169  -0.343  1.00  0.00           I  
HETATM   19  N   UNL     1       1.429   2.214  -0.943  1.00  0.00           N  
HETATM   20  N   UNL     1       1.219  -0.353   0.257  1.00  0.00           N  
HETATM   21  N   UNL     1       3.404  -0.571   0.376  1.00  0.00           N  
HETATM   22  O   UNL     1       3.557  -2.841   0.741  1.00  0.00           O  
HETATM   23  O   UNL     1       4.636  -0.632  -1.937  1.00  0.00           O  
HETATM   24  H   UNL     1       3.177   2.231   1.961  1.00  0.00           H  
HETATM   25  H   UNL     1       0.828  -3.686   0.854  1.00  0.00           H  
HETATM   26  H   UNL     1       2.257   4.533   2.015  1.00  0.00           H  
HETATM   27  H   UNL     1       3.294   4.293   0.588  1.00  0.00           H  
HETATM   28  H   UNL     1       1.523   4.277   0.414  1.00  0.00           H  
HETATM   29  H   UNL     1       0.328   2.336   1.411  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.602  -0.264   0.172  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.522  -4.449   0.529  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.888  -3.954   0.166  1.00  0.00           H  
HETATM   33  H   UNL     1       3.460   1.978  -0.457  1.00  0.00           H  
HETATM   34  H   UNL     1       5.378  -0.869   1.020  1.00  0.00           H  
HETATM   35  H   UNL     1       4.925   0.828   0.734  1.00  0.00           H  
HETATM   36  H   UNL     1       1.538   1.791  -1.852  1.00  0.00           H  
HETATM   37  H   UNL     1       0.513   2.026  -0.563  1.00  0.00           H  
HETATM   38  O   UNL     1       6.644   0.015  -1.280  1.00  0.00           O  
HETATM   39  H   UNL     1      -5.393  -1.400   0.582  1.00  0.00           H  
HETATM   40  H   UNL     1       6.944  -0.059  -2.196  1.00  0.00           H  
CONECT    1   15    4    3   24                                       
CONECT    2   16   16    5   25                                       
CONECT    3    1   26   27   28                                       
CONECT    4    1   29                                                 
CONECT    5    2    7    6    6                                       
CONECT    6    5    5    8   30                                       
CONECT    7    5    9    9   31                                       
CONECT    8    6   10   10   18                                       
CONECT    9    7    7   10   32                                       
CONECT   10    9    8    8   11                                       
CONECT   11   10   39                                                 
CONECT   12   21   15   20   20                                       
CONECT   13   22   22   21   16                                       
CONECT   14   23   23   17   38                                       
CONECT   15   19   12    1   33                                       
CONECT   16   13    2    2   20                                       
CONECT   17   14   21   34   35                                       
CONECT   18    8                                                      
CONECT   19   15   36   37                                            
CONECT   20   16   12   12                                            
CONECT   21   17   13   12                                            
CONECT   22   13   13                                                 
CONECT   23   14   14                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   14   40                                                 
CONECT   39   11                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
