COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.245   2.101  -0.104  1.00  0.00           C  
HETATM    2  C   UNL     1       4.665  -0.324  -0.391  1.00  0.00           C  
HETATM    3  O   UNL     1       7.639  -2.368   0.482  1.00  0.00           O  
HETATM    4  N   UNL     1       6.486  -1.551   0.579  1.00  0.00           N  
HETATM    5  C   UNL     1       5.867  -1.177  -0.492  1.00  0.00           C  
HETATM    6  C   UNL     1       4.176   0.086   0.855  1.00  0.00           C  
HETATM    7  C   UNL     1       3.053   0.886   0.902  1.00  0.00           C  
HETATM    8  N   UNL     1       2.437   1.256  -0.204  1.00  0.00           N1+
HETATM    9  C   UNL     1       2.861   0.887  -1.398  1.00  0.00           C  
HETATM   10  C   UNL     1       3.979   0.091  -1.538  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000   1.218   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.245   2.101   0.105  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.437   1.255   0.205  1.00  0.00           N1+
HETATM   14  C   UNL     1      -3.056   0.891  -0.902  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.179   0.091  -0.855  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.664  -0.325   0.391  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.978   0.089   1.538  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.860   0.886   1.398  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.866  -1.178   0.491  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.486  -1.551  -0.580  1.00  0.00           N  
HETATM   21  O   UNL     1      -7.638  -2.369  -0.484  1.00  0.00           O  
HETATM   22  H   UNL     1       1.319   2.730   0.783  1.00  0.00           H  
HETATM   23  H   UNL     1       1.171   2.731  -0.990  1.00  0.00           H  
HETATM   24  H   UNL     1       7.943  -2.529   1.386  1.00  0.00           H  
HETATM   25  H   UNL     1       6.228  -1.488  -1.461  1.00  0.00           H  
HETATM   26  H   UNL     1       4.675  -0.213   1.765  1.00  0.00           H  
HETATM   27  H   UNL     1       2.671   1.212   1.859  1.00  0.00           H  
HETATM   28  H   UNL     1       2.325   1.213  -2.277  1.00  0.00           H  
HETATM   29  H   UNL     1       4.320  -0.206  -2.519  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.074   0.589  -0.887  1.00  0.00           H  
HETATM   31  H   UNL     1       0.075   0.588   0.887  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.170   2.730   0.992  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.319   2.730  -0.782  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.674   1.217  -1.858  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.679  -0.207  -1.765  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.319  -0.209   2.519  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.324   1.210   2.277  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.227  -1.491   1.460  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.943  -2.529  -1.388  1.00  0.00           H  
CONECT    1    8   11   22   23                                       
CONECT    2    5    6   10   10                                       
CONECT    3    4   24                                                 
CONECT    4    3    5    5                                            
CONECT    5    2    4    4   25                                       
CONECT    6    2    7    7   26                                       
CONECT    7    6    6    8   27                                       
CONECT    8    1    7    9    9                                       
CONECT    9    8    8   10   28                                       
CONECT   10    2    2    9   29                                       
CONECT   11    1   12   30   31                                       
CONECT   12   11   13   32   33                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18   18   36                                       
CONECT   18   13   17   17   37                                       
CONECT   19   16   20   20   38                                       
CONECT   20   19   19   21                                            
CONECT   21   20   39                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
