COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.243   2.887  -0.092  1.00  0.00           C  
HETATM    2  C   UNL     1       1.046   2.168  -0.659  1.00  0.00           C  
HETATM    3  C   UNL     1       1.983  -0.831  -1.266  1.00  0.00           C  
HETATM    4  C   UNL     1       3.028  -1.709  -1.488  1.00  0.00           C  
HETATM    5  C   UNL     1       6.018  -2.023   0.467  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.048   0.459   0.713  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.157   0.086  -1.591  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.884  -0.112  -0.099  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.611   0.601   0.278  1.00  0.00           C  
HETATM   10  C   UNL     1       0.805   0.879   0.130  1.00  0.00           C  
HETATM   11  C   UNL     1       1.946  -0.076  -0.108  1.00  0.00           C  
HETATM   12  C   UNL     1       2.953  -0.196   0.831  1.00  0.00           C  
HETATM   13  C   UNL     1       4.002  -1.074   0.615  1.00  0.00           C  
HETATM   14  C   UNL     1       4.040  -1.835  -0.551  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.297  -0.335   0.427  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.707  -1.426   1.099  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.917  -1.846   0.500  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.173  -0.987  -0.503  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.448   0.263  -0.313  1.00  0.00           N  
HETATM   20  O   UNL     1       5.161  -2.613  -0.529  1.00  0.00           O  
HETATM   21  O   UNL     1       5.100  -1.375   1.368  1.00  0.00           O  
HETATM   22  O   UNL     1       2.720   3.983  -0.703  1.00  0.00           O  
HETATM   23  O   UNL     1       2.770   2.481   0.916  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.633   1.480   1.114  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.192  -0.071  -0.539  1.00  0.00           O  
HETATM   26  H   UNL     1       0.168   2.809  -0.584  1.00  0.00           H  
HETATM   27  H   UNL     1       1.231   1.925  -1.705  1.00  0.00           H  
HETATM   28  H   UNL     1       1.197  -0.732  -2.000  1.00  0.00           H  
HETATM   29  H   UNL     1       3.054  -2.298  -2.393  1.00  0.00           H  
HETATM   30  H   UNL     1       6.586  -2.794   0.988  1.00  0.00           H  
HETATM   31  H   UNL     1       6.690  -1.296   0.013  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.815   0.398   1.776  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.208   1.500   0.435  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.260   1.151  -1.803  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.327  -0.320  -2.170  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.077  -0.430  -1.864  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.780  -1.176   0.113  1.00  0.00           H  
HETATM   38  H   UNL     1       0.741   1.110   1.193  1.00  0.00           H  
HETATM   39  H   UNL     1       2.922   0.395   1.735  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.208  -1.891   1.936  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.519  -2.694   0.791  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.026  -1.025  -1.165  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.441  -0.388  -1.032  1.00  0.00           H  
HETATM   44  H   UNL     1       3.486   4.412  -0.300  1.00  0.00           H  
CONECT    1    2   23   23   22                                       
CONECT    2   10    1   26   27                                       
CONECT    3   11   11    4   28                                       
CONECT    4    3   14   14   29                                       
CONECT    5   20   21   30   31                                       
CONECT    6    8   15   32   33                                       
CONECT    7    8   34   35   36                                       
CONECT    8    7    6    9   37                                       
CONECT    9   24   24    8   19                                       
CONECT   10   19   11    2   38                                       
CONECT   11   10    3    3   12                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   14   21                                       
CONECT   14    4    4   13   20                                       
CONECT   15    6   16   16   25                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   41                                       
CONECT   18   25   17   17   42                                       
CONECT   19    9   10   43                                            
CONECT   20   14    5                                                 
CONECT   21   13    5                                                 
CONECT   22    1   44                                                 
CONECT   23    1    1                                                 
CONECT   24    9    9                                                 
CONECT   25   15   18                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
