COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.733  -2.157   0.998  1.00  0.00           C  
HETATM    2  C   UNL     1       1.321  -3.399   0.882  1.00  0.00           C  
HETATM    3  C   UNL     1       2.044  -3.723  -0.258  1.00  0.00           C  
HETATM    4  O   UNL     1       2.622  -4.948  -0.370  1.00  0.00           O  
HETATM    5  C   UNL     1       2.177  -2.798  -1.285  1.00  0.00           C  
HETATM    6  C   UNL     1       1.591  -1.554  -1.175  1.00  0.00           C  
HETATM    7  C   UNL     1       0.865  -1.226  -0.031  1.00  0.00           C  
HETATM    8  C   UNL     1       0.230   0.108   0.088  1.00  0.00           C  
HETATM    9  C   UNL     1       0.887   1.329   0.164  1.00  0.00           C  
HETATM   10  C   UNL     1       2.348   1.542   0.142  1.00  0.00           C  
HETATM   11  C   UNL     1       3.186   0.731   0.910  1.00  0.00           C  
HETATM   12  C   UNL     1       4.549   0.933   0.887  1.00  0.00           C  
HETATM   13  C   UNL     1       5.090   1.942   0.100  1.00  0.00           C  
HETATM   14  O   UNL     1       6.434   2.138   0.080  1.00  0.00           O  
HETATM   15  C   UNL     1       4.260   2.750  -0.666  1.00  0.00           C  
HETATM   16  C   UNL     1       2.897   2.551  -0.652  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.071   2.294   0.264  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.324   1.670   0.249  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.155   0.375   0.139  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.175  -0.581   0.085  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.513  -0.175   0.030  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.847   1.036  -0.562  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.169   1.433  -0.621  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.161   0.623  -0.089  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.462   1.015  -0.147  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.828  -0.586   0.502  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.507  -0.985   0.563  1.00  0.00           C  
HETATM   28  H   UNL     1       0.167  -1.908   1.883  1.00  0.00           H  
HETATM   29  H   UNL     1       1.218  -4.121   1.679  1.00  0.00           H  
HETATM   30  H   UNL     1       2.054  -5.615  -0.779  1.00  0.00           H  
HETATM   31  H   UNL     1       2.740  -3.053  -2.171  1.00  0.00           H  
HETATM   32  H   UNL     1       1.695  -0.835  -1.975  1.00  0.00           H  
HETATM   33  H   UNL     1       2.766  -0.053   1.523  1.00  0.00           H  
HETATM   34  H   UNL     1       5.198   0.307   1.481  1.00  0.00           H  
HETATM   35  H   UNL     1       6.896   1.629  -0.601  1.00  0.00           H  
HETATM   36  H   UNL     1       4.685   3.533  -1.277  1.00  0.00           H  
HETATM   37  H   UNL     1       2.253   3.177  -1.252  1.00  0.00           H  
HETATM   38  H   UNL     1       0.088   3.248   0.332  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.954  -1.526   0.086  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.075   1.666  -0.976  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.429   2.375  -1.082  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.926   0.723  -0.944  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.602  -1.216   0.916  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.248  -1.929   1.020  1.00  0.00           H  
CONECT    1    2    7    7   28                                       
CONECT    2    3    3    1   29                                       
CONECT    3    4    2    2    5                                       
CONECT    4    3   30                                                 
CONECT    5    3    6    6   31                                       
CONECT    6    5    5    7   32                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9    9   19                                       
CONECT    9    8    8   10   17                                       
CONECT   10   11   11    9   16                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12   15   14                                       
CONECT   14   13   35                                                 
CONECT   15   13   16   16   36                                       
CONECT   16   10   15   15   37                                       
CONECT   17    9   18   38                                            
CONECT   18   19   19   17                                            
CONECT   19    8   20   18   18                                       
CONECT   20   21   19   39                                            
CONECT   21   22   22   27   20                                       
CONECT   22   23   21   21   40                                       
CONECT   23   24   24   22   41                                       
CONECT   24   25   23   23   26                                       
CONECT   25   24   42                                                 
CONECT   26   24   27   27   43                                       
CONECT   27   26   26   21   44                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
