COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.308  -0.627   0.813  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.155  -0.010  -0.210  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.137   1.312  -1.612  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.240   1.208  -0.242  1.00  0.00           C  
HETATM    5  C   UNL     1       2.795  -2.428  -0.361  1.00  0.00           C  
HETATM    6  C   UNL     1       2.790  -0.979  -0.099  1.00  0.00           C  
HETATM    7  C   UNL     1       3.976  -0.244  -0.182  1.00  0.00           C  
HETATM    8  C   UNL     1       3.965   1.111   0.063  1.00  0.00           C  
HETATM    9  C   UNL     1       2.781   1.753   0.393  1.00  0.00           C  
HETATM   10  C   UNL     1       1.601   1.043   0.479  1.00  0.00           C  
HETATM   11  C   UNL     1       1.592  -0.324   0.230  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.861  -0.337   0.535  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.006  -1.351   0.582  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.908  -0.422   1.997  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.251   0.544   0.476  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.070   0.108  -1.598  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.053   0.764  -2.284  1.00  0.00           C  
HETATM   18  N   UNL     1       0.405  -1.040   0.310  1.00  0.00           N  
HETATM   19  N   UNL     1      -5.070   0.277   1.815  1.00  0.00           N  
HETATM   20  N   UNL     1       5.222   1.886  -0.025  1.00  0.00           N1+
HETATM   21  O   UNL     1       1.785  -3.081  -0.185  1.00  0.00           O  
HETATM   22  O   UNL     1       3.919  -3.030  -0.795  1.00  0.00           O  
HETATM   23  O   UNL     1       6.264   1.325  -0.314  1.00  0.00           O  
HETATM   24  O   UNL     1       5.216   3.084   0.191  1.00  0.00           O1-
HETATM   25  H   UNL     1      -6.906   1.827  -2.169  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.086   1.640   0.272  1.00  0.00           H  
HETATM   27  H   UNL     1       4.902  -0.739  -0.438  1.00  0.00           H  
HETATM   28  H   UNL     1       2.782   2.816   0.584  1.00  0.00           H  
HETATM   29  H   UNL     1       0.684   1.551   0.737  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.033   0.369  -0.277  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.814   0.202   1.481  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.833  -2.056   1.395  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.053  -1.890  -0.364  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.529  -0.759   2.950  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.230  -0.316  -2.128  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.987   0.855  -3.359  1.00  0.00           H  
HETATM   37  H   UNL     1       0.414  -2.006   0.218  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.676   0.544   2.523  1.00  0.00           H  
HETATM   39  H   UNL     1       3.874  -3.983  -0.953  1.00  0.00           H  
CONECT    1   13    2   14   14                                       
CONECT    2   16   16    1   15                                       
CONECT    3   17   17    4   25                                       
CONECT    4   15   15    3   26                                       
CONECT    5   21   21   22    6                                       
CONECT    6    7    5   11   11                                       
CONECT    7    8    8    6   27                                       
CONECT    8   20    7    7    9                                       
CONECT    9    8   10   10   28                                       
CONECT   10    9    9   11   29                                       
CONECT   11    6    6   10   18                                       
CONECT   12   18   13   30   31                                       
CONECT   13   12    1   32   33                                       
CONECT   14    1    1   19   34                                       
CONECT   15    2   19    4    4                                       
CONECT   16    2    2   17   35                                       
CONECT   17   16    3    3   36                                       
CONECT   18   11   12   37                                            
CONECT   19   14   15   38                                            
CONECT   20   24   23   23    8                                       
CONECT   21    5    5                                                 
CONECT   22    5   39                                                 
CONECT   23   20   20                                                 
CONECT   24   20                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
