COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.065   0.733   1.282  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.498   0.178   0.295  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.828   0.118   0.084  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.750   0.723   1.048  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.169   0.518   0.582  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.768   1.456  -0.239  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.068   1.271  -0.667  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.773   0.143  -0.274  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.052  -0.042  -0.695  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.716  -1.226  -0.250  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.169  -0.797   0.549  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.867  -0.610   0.971  1.00  0.00           C  
HETATM   13  C   UNL     1       0.451  -0.439  -0.700  1.00  0.00           C  
HETATM   14  N   UNL     1       1.834  -0.235  -0.249  1.00  0.00           N  
HETATM   15  C   UNL     1       2.790  -0.825  -1.196  1.00  0.00           C  
HETATM   16  C   UNL     1       4.195  -0.596  -0.700  1.00  0.00           C  
HETATM   17  C   UNL     1       4.794  -1.527   0.128  1.00  0.00           C  
HETATM   18  C   UNL     1       6.082  -1.319   0.584  1.00  0.00           C  
HETATM   19  C   UNL     1       6.773  -0.176   0.210  1.00  0.00           C  
HETATM   20  O   UNL     1       8.040   0.030   0.657  1.00  0.00           O  
HETATM   21  C   UNL     1       8.691   1.229   0.231  1.00  0.00           C  
HETATM   22  C   UNL     1       6.169   0.756  -0.621  1.00  0.00           C  
HETATM   23  C   UNL     1       4.883   0.541  -1.079  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.174  -0.326  -0.706  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.617   0.253   2.022  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.544   1.790   1.127  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.219   2.335  -0.545  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.535   2.004  -1.308  1.00  0.00           H  
HETATM   29  H   UNL     1      -9.727  -1.250  -0.657  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.165  -2.102  -0.594  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.762  -1.230   0.839  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.716  -1.676   0.857  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.396  -1.343   1.608  1.00  0.00           H  
HETATM   34  H   UNL     1       0.250  -1.507  -0.781  1.00  0.00           H  
HETATM   35  H   UNL     1       0.314   0.032  -1.673  1.00  0.00           H  
HETATM   36  H   UNL     1       2.027   0.745  -0.104  1.00  0.00           H  
HETATM   37  H   UNL     1       2.604  -1.895  -1.280  1.00  0.00           H  
HETATM   38  H   UNL     1       2.669  -0.357  -2.173  1.00  0.00           H  
HETATM   39  H   UNL     1       4.256  -2.417   0.418  1.00  0.00           H  
HETATM   40  H   UNL     1       6.550  -2.047   1.231  1.00  0.00           H  
HETATM   41  H   UNL     1       8.759   1.239  -0.856  1.00  0.00           H  
HETATM   42  H   UNL     1       8.117   2.093   0.568  1.00  0.00           H  
HETATM   43  H   UNL     1       9.693   1.269   0.658  1.00  0.00           H  
HETATM   44  H   UNL     1       6.705   1.647  -0.913  1.00  0.00           H  
HETATM   45  H   UNL     1       4.414   1.265  -1.729  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   13    3                                       
CONECT    3    2    4   24                                            
CONECT    4    3    5   25   26                                       
CONECT    5    4    6    6   12                                       
CONECT    6    5    5    7   27                                       
CONECT    7    6    8    8   28                                       
CONECT    8    7    7   11    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   29   30   31                                       
CONECT   11   12   12    8   32                                       
CONECT   12    5   11   11   33                                       
CONECT   13   14    2   34   35                                       
CONECT   14   13   15   36                                            
CONECT   15   14   16   37   38                                       
CONECT   16   15   17   17   23                                       
CONECT   17   16   16   18   39                                       
CONECT   18   17   19   19   40                                       
CONECT   19   18   18   22   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   41   42   43                                       
CONECT   22   23   23   19   44                                       
CONECT   23   16   22   22   45                                       
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
