COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.774  -0.028  -0.739  1.00  0.00           C  
HETATM    2  N   UNL     1       1.945  -0.602   0.164  1.00  0.00           N  
HETATM    3  C   UNL     1       1.951   0.172   1.281  1.00  0.00           C  
HETATM    4  N   UNL     1       2.741   1.189   1.087  1.00  0.00           N  
HETATM    5  C   UNL     1       3.270   1.103  -0.160  1.00  0.00           C  
HETATM    6  C   UNL     1       4.213   2.054  -0.773  1.00  0.00           C  
HETATM    7  O   UNL     1       4.616   1.866  -1.905  1.00  0.00           O  
HETATM    8  N   UNL     1       4.627   3.133  -0.081  1.00  0.00           N  
HETATM    9  C   UNL     1       1.185  -1.840  -0.025  1.00  0.00           C  
HETATM   10  C   UNL     1       1.609  -2.866   1.028  1.00  0.00           C  
HETATM   11  O   UNL     1       0.854  -4.066   0.855  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.310  -1.547   0.122  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.763  -0.626  -1.013  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.257  -0.440  -0.943  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.080  -1.226  -1.690  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.464  -1.068  -1.638  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.032  -0.124  -0.839  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.214   0.706  -0.053  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.807   0.542  -0.102  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.764   1.692   0.783  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.989   1.376   0.679  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.941   2.478   1.529  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.557   2.320   1.477  1.00  0.00           C  
HETATM   24  C   UNL     1       3.099  -3.173   0.869  1.00  0.00           C  
HETATM   25  H   UNL     1       2.994  -0.392  -1.732  1.00  0.00           H  
HETATM   26  H   UNL     1       1.390  -0.024   2.183  1.00  0.00           H  
HETATM   27  H   UNL     1       4.305   3.283   0.822  1.00  0.00           H  
HETATM   28  H   UNL     1       5.248   3.760  -0.485  1.00  0.00           H  
HETATM   29  H   UNL     1       1.381  -2.238  -1.020  1.00  0.00           H  
HETATM   30  H   UNL     1       1.425  -2.461   2.024  1.00  0.00           H  
HETATM   31  H   UNL     1       1.044  -4.390  -0.036  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.869  -2.481   0.077  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.493  -1.060   1.079  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.271   0.341  -0.915  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.497  -1.073  -1.971  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.655  -1.983  -2.332  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.095  -1.704  -2.241  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.106  -0.013  -0.809  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.835   1.826   0.833  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.915   1.266   0.648  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.366   3.235   2.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.926   2.957   2.079  1.00  0.00           H  
HETATM   43  H   UNL     1       3.283  -3.577  -0.126  1.00  0.00           H  
HETATM   44  H   UNL     1       3.675  -2.257   1.001  1.00  0.00           H  
HETATM   45  H   UNL     1       3.401  -3.904   1.619  1.00  0.00           H  
CONECT    1    2    5    5   25                                       
CONECT    2    1    3    9                                            
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5                                            
CONECT    5    1    1    4    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   27   28                                            
CONECT    9    2   10   12   29                                       
CONECT   10    9   11   24   30                                       
CONECT   11   10   31                                                 
CONECT   12    9   13   32   33                                       
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   36                                       
CONECT   16   15   17   17   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   20                                       
CONECT   19   14   18   18   21                                       
CONECT   20   18   22   22   39                                       
CONECT   21   19   23   23   40                                       
CONECT   22   20   20   23   41                                       
CONECT   23   21   21   22   42                                       
CONECT   24   10   43   44   45                                       
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
