COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.131  -1.531  -0.241  1.00  0.00           C  
HETATM    2  N   UNL     1       0.464   1.701  -0.578  1.00  0.00           N  
HETATM    3  O   UNL     1       3.637   1.512   0.022  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.669  -2.778   1.118  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.237  -2.498  -1.242  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.774  -3.731   0.120  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.058  -3.592  -1.055  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.258  -0.354  -0.437  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.617   0.954  -0.324  1.00  0.00           C  
HETATM   10  C   UNL     1       1.479   0.923  -0.843  1.00  0.00           C  
HETATM   11  C   UNL     1       1.910  -1.549  -0.993  1.00  0.00           C  
HETATM   12  C   UNL     1       2.544  -1.987   0.328  1.00  0.00           C  
HETATM   13  C   UNL     1       1.448  -2.199   1.374  1.00  0.00           C  
HETATM   14  C   UNL     1       3.309  -3.296   0.118  1.00  0.00           C  
HETATM   15  C   UNL     1       2.873   1.388  -1.180  1.00  0.00           C  
HETATM   16  C   UNL     1       4.981   1.949  -0.187  1.00  0.00           C  
HETATM   17  I   UNL     1      -2.525   1.672   0.161  1.00  0.00           I  
HETATM   18  C   UNL     1       5.701   2.045   1.160  1.00  0.00           C  
HETATM   19  N   UNL     1       1.079  -0.364  -0.767  1.00  0.00           N  
HETATM   20  O   UNL     1       3.446  -0.976   0.782  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.856  -1.678   0.942  1.00  0.00           C  
HETATM   22  H   UNL     1      -3.231  -2.892   2.033  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.679  -2.391  -2.160  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.411  -4.591   0.263  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.141  -4.341  -1.829  1.00  0.00           H  
HETATM   26  H   UNL     1       2.695  -1.311  -1.712  1.00  0.00           H  
HETATM   27  H   UNL     1       1.292  -2.357  -1.385  1.00  0.00           H  
HETATM   28  H   UNL     1       0.760  -2.970   1.028  1.00  0.00           H  
HETATM   29  H   UNL     1       1.899  -2.511   2.316  1.00  0.00           H  
HETATM   30  H   UNL     1       0.903  -1.267   1.524  1.00  0.00           H  
HETATM   31  H   UNL     1       4.090  -3.145  -0.627  1.00  0.00           H  
HETATM   32  H   UNL     1       3.760  -3.608   1.060  1.00  0.00           H  
HETATM   33  H   UNL     1       2.620  -4.067  -0.228  1.00  0.00           H  
HETATM   34  H   UNL     1       2.823   2.355  -1.679  1.00  0.00           H  
HETATM   35  H   UNL     1       3.348   0.662  -1.839  1.00  0.00           H  
HETATM   36  H   UNL     1       5.500   1.235  -0.826  1.00  0.00           H  
HETATM   37  H   UNL     1       4.975   2.928  -0.666  1.00  0.00           H  
HETATM   38  H   UNL     1       5.181   2.759   1.799  1.00  0.00           H  
HETATM   39  H   UNL     1       5.707   1.066   1.639  1.00  0.00           H  
HETATM   40  H   UNL     1       6.726   2.378   1.001  1.00  0.00           H  
HETATM   41  H   UNL     1       4.216  -0.851   0.211  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.781  -0.931   1.719  1.00  0.00           H  
CONECT    1    5    5   21    8                                       
CONECT    2   10   10    9                                            
CONECT    3   16   15                                                 
CONECT    4    6   21   21   22                                       
CONECT    5    7    1    1   23                                       
CONECT    6    7    7    4   24                                       
CONECT    7    6    6    5   25                                       
CONECT    8    1   19    9    9                                       
CONECT    9    8    8    2   17                                       
CONECT   10   19   15    2    2                                       
CONECT   11   12   19   26   27                                       
CONECT   12   14   13   11   20                                       
CONECT   13   12   28   29   30                                       
CONECT   14   12   31   32   33                                       
CONECT   15    3   10   34   35                                       
CONECT   16   18    3   36   37                                       
CONECT   17    9                                                      
CONECT   18   16   38   39   40                                       
CONECT   19   11    8   10                                            
CONECT   20   12   41                                                 
CONECT   21    4    4    1   42                                       
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
