COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.314  -3.697   0.268  1.00  0.00           O  
HETATM    2  C   UNL     1       0.079  -2.505   0.227  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.192  -2.140   0.283  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.698  -0.843   0.232  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.077   0.208   0.899  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.640   1.477   0.872  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.800   1.706   0.157  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.857  -0.598  -0.497  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.402   0.671  -0.533  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.657   0.927  -1.328  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.861   0.707  -0.449  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.096   0.879  -0.947  1.00  0.00           O  
HETATM   13  C   UNL     1      -8.209   0.650  -0.044  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.716   0.377   0.704  1.00  0.00           O  
HETATM   15  C   UNL     1       1.227  -1.601   0.124  1.00  0.00           C  
HETATM   16  C   UNL     1       1.250  -0.388   0.832  1.00  0.00           C  
HETATM   17  N   UNL     1       0.143   0.017   1.559  1.00  0.00           N  
HETATM   18  C   UNL     1       2.320  -1.953  -0.679  1.00  0.00           C  
HETATM   19  C   UNL     1       3.413  -1.141  -0.749  1.00  0.00           C  
HETATM   20  C   UNL     1       3.458   0.050  -0.016  1.00  0.00           C  
HETATM   21  C   UNL     1       2.371   0.422   0.776  1.00  0.00           C  
HETATM   22  C   UNL     1       4.656   0.912  -0.079  1.00  0.00           C  
HETATM   23  N   UNL     1       5.921   0.538  -0.476  1.00  0.00           N  
HETATM   24  C   UNL     1       6.336  -0.796  -0.918  1.00  0.00           C  
HETATM   25  C   UNL     1       6.705   1.632  -0.382  1.00  0.00           C  
HETATM   26  N   UNL     1       5.987   2.635   0.047  1.00  0.00           N  
HETATM   27  C   UNL     1       4.726   2.235   0.238  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.843  -2.854   0.369  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.171   2.286   1.412  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.237   2.694   0.137  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.333  -1.404  -1.036  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.654   1.954  -1.691  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.696   0.242  -2.176  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.147   0.823  -0.572  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.179  -0.378   0.317  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.137   1.334   0.802  1.00  0.00           H  
HETATM   37  H   UNL     1       0.214   0.164   2.515  1.00  0.00           H  
HETATM   38  H   UNL     1       2.296  -2.871  -1.247  1.00  0.00           H  
HETATM   39  H   UNL     1       4.249  -1.418  -1.374  1.00  0.00           H  
HETATM   40  H   UNL     1       2.405   1.340   1.344  1.00  0.00           H  
HETATM   41  H   UNL     1       6.109  -0.914  -1.978  1.00  0.00           H  
HETATM   42  H   UNL     1       7.408  -0.914  -0.760  1.00  0.00           H  
HETATM   43  H   UNL     1       5.799  -1.552  -0.346  1.00  0.00           H  
HETATM   44  H   UNL     1       7.758   1.671  -0.622  1.00  0.00           H  
HETATM   45  H   UNL     1       3.909   2.850   0.584  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    4    2   28                                            
CONECT    4    8    3    5    5                                       
CONECT    5    4    4    6   17                                       
CONECT    6    7    7    5   29                                       
CONECT    7    9    6    6   30                                       
CONECT    8    9    9    4   31                                       
CONECT    9   10    8    8    7                                       
CONECT   10   11    9   32   33                                       
CONECT   11   10   14   14   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   34   35   36                                       
CONECT   14   11   11                                                 
CONECT   15    2   18   18   16                                       
CONECT   16   15   17   21   21                                       
CONECT   17    5   16   37                                            
CONECT   18   15   15   19   38                                       
CONECT   19   18   20   20   39                                       
CONECT   20   19   19   21   22                                       
CONECT   21   16   16   20   40                                       
CONECT   22   20   23   27   27                                       
CONECT   23   22   24   25                                            
CONECT   24   23   41   42   43                                       
CONECT   25   23   26   26   44                                       
CONECT   26   27   25   25                                            
CONECT   27   22   22   26   45                                       
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
