COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.176   0.555   2.733  1.00  0.00           N  
HETATM    2  C   UNL     1       3.766   0.357   1.572  1.00  0.00           C  
HETATM    3  C   UNL     1       5.255   0.558   1.448  1.00  0.00           C  
HETATM    4  C   UNL     1       3.031  -0.029   0.461  1.00  0.00           C  
HETATM    5  O   UNL     1       3.645  -0.232  -0.734  1.00  0.00           O  
HETATM    6  C   UNL     1       1.659  -0.216   0.590  1.00  0.00           C  
HETATM    7  C   UNL     1       0.823  -0.642  -0.588  1.00  0.00           C  
HETATM    8  C   UNL     1       1.079   0.002   1.829  1.00  0.00           C  
HETATM    9  C   UNL     1       1.877   0.392   2.889  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.404  -0.180   2.019  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.750   0.105   3.376  1.00  0.00           O  
HETATM   12  P   UNL     1      -2.340  -0.109   3.507  1.00  0.00           P  
HETATM   13  O   UNL     1      -2.678  -1.508   3.162  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.800   0.197   5.018  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.101   0.890   2.500  1.00  0.00           O  
HETATM   16  N   UNL     1       0.344   0.547  -1.304  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.458   0.064  -2.435  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.992   1.259  -3.229  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.632  -0.763  -1.910  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.816   0.764  -4.389  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.961  -0.422  -4.564  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.388   1.641  -5.229  1.00  0.00           O  
HETATM   23  C   UNL     1       0.399  -0.790  -3.332  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.099  -1.691  -3.965  1.00  0.00           O  
HETATM   25  O   UNL     1       1.716  -0.552  -3.427  1.00  0.00           O  
HETATM   26  H   UNL     1       5.767  -0.378   1.665  1.00  0.00           H  
HETATM   27  H   UNL     1       5.495   0.878   0.434  1.00  0.00           H  
HETATM   28  H   UNL     1       5.578   1.322   2.155  1.00  0.00           H  
HETATM   29  H   UNL     1       3.629   0.612  -1.204  1.00  0.00           H  
HETATM   30  H   UNL     1       1.427  -1.252  -1.260  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.029  -1.223  -0.238  1.00  0.00           H  
HETATM   32  H   UNL     1       1.430   0.564   3.857  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.942   0.497   1.357  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.676  -1.210   1.784  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.757   0.057   5.053  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.854   1.788   2.759  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.289   1.024  -0.681  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.612   1.878  -2.580  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.155   1.850  -3.603  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.253  -0.145  -1.262  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.228  -1.121  -2.750  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.253  -1.614  -1.345  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.916   1.324  -5.974  1.00  0.00           H  
HETATM   44  H   UNL     1       2.266  -1.101  -4.002  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   26   27   28                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   29                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    6   16   30   31                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   32                                       
CONECT   10    8   11   33   34                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   35                                                 
CONECT   15   12   36                                                 
CONECT   16    7   17   37                                            
CONECT   17   16   18   19   23                                       
CONECT   18   17   20   38   39                                       
CONECT   19   17   40   41   42                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   43                                                 
CONECT   23   17   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   44                                                 
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
