COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.252   0.854  -0.022  1.00  0.00           C  
HETATM    2  C   UNL     1       4.404   1.969  -0.049  1.00  0.00           C  
HETATM    3  C   UNL     1       3.051   1.810  -0.045  1.00  0.00           C  
HETATM    4  C   UNL     1       2.496   0.525  -0.014  1.00  0.00           C  
HETATM    5  C   UNL     1       3.342  -0.599   0.013  1.00  0.00           C  
HETATM    6  C   UNL     1       4.716  -0.432   0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       6.717   1.042  -0.027  1.00  0.00           C  
HETATM    8  C   UNL     1       1.231  -1.241   0.029  1.00  0.00           C  
HETATM    9  C   UNL     1       0.001  -2.111   0.051  1.00  0.00           C  
HETATM   10  N   UNL     1       7.525  -0.017  -0.001  1.00  0.00           N  
HETATM   11  N   UNL     1       7.231   2.271  -0.057  1.00  0.00           N1+
HETATM   12  N   UNL     1       1.223   0.061  -0.003  1.00  0.00           N  
HETATM   13  N   UNL     1       2.509  -1.701   0.040  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.252   0.852  -0.019  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.405   1.967  -0.047  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.052   1.808  -0.044  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.497   0.524  -0.013  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.342  -0.601   0.016  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.716  -0.434   0.012  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.718   1.039  -0.023  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.230  -1.242   0.030  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.252   2.129   0.528  1.00  0.00           N  
HETATM   23  N   UNL     1      -7.506   0.119  -0.577  1.00  0.00           N1+
HETATM   24  N   UNL     1      -1.223   0.060   0.004  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.508  -1.702   0.042  1.00  0.00           N  
HETATM   26  O   UNL     1       0.000  -2.965  -1.095  1.00  0.00           O  
HETATM   27  O   UNL     1       0.001  -2.907   1.238  1.00  0.00           O  
HETATM   28  H   UNL     1       4.827   2.963  -0.073  1.00  0.00           H  
HETATM   29  H   UNL     1       2.406   2.676  -0.066  1.00  0.00           H  
HETATM   30  H   UNL     1       5.368  -1.292   0.019  1.00  0.00           H  
HETATM   31  H   UNL     1       7.151  -0.912   0.021  1.00  0.00           H  
HETATM   32  H   UNL     1       8.487   0.106  -0.004  1.00  0.00           H  
HETATM   33  H   UNL     1       8.194   2.394  -0.060  1.00  0.00           H  
HETATM   34  H   UNL     1       6.644   3.042  -0.080  1.00  0.00           H  
HETATM   35  H   UNL     1       2.786  -2.631   0.063  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.828   2.960  -0.071  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.407   2.674  -0.066  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.368  -1.294   0.034  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.678   2.799   0.932  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.214   2.252   0.525  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.468   0.241  -0.580  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.117  -0.675  -0.978  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.784  -2.632   0.066  1.00  0.00           H  
HETATM   44  H   UNL     1       0.000  -2.390  -1.872  1.00  0.00           H  
HETATM   45  H   UNL     1       0.002  -2.294   1.986  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3    3   28                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   12                                       
CONECT    5    4    4    6   13                                       
CONECT    6    1    1    5   30                                       
CONECT    7    1   10   11   11                                       
CONECT    8    9   12   12   13                                       
CONECT    9    8   21   26   27                                       
CONECT   10    7   31   32                                            
CONECT   11    7    7   33   34                                       
CONECT   12    4    8    8                                            
CONECT   13    5    8   35                                            
CONECT   14   15   19   19   20                                       
CONECT   15   14   16   16   36                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   24                                       
CONECT   18   17   17   19   25                                       
CONECT   19   14   14   18   38                                       
CONECT   20   14   22   23   23                                       
CONECT   21    9   24   24   25                                       
CONECT   22   20   39   40                                            
CONECT   23   20   20   41   42                                       
CONECT   24   17   21   21                                            
CONECT   25   18   21   43                                            
CONECT   26    9   44                                                 
CONECT   27    9   45                                                 
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
