COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.552  -2.663   0.005  1.00  0.00           C  
HETATM    2  C   UNL     1       3.153  -2.219  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       2.070  -1.421  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       2.226  -0.008  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       1.121   0.836  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.168   0.299   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.253   1.129   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.555   0.586   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.193  -0.864  -0.003  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.045  -1.955  -0.003  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.413  -1.762   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.942  -0.480   0.004  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.109   0.618   0.004  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.724   0.437   0.001  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.756   2.754   0.001  1.00  0.00           C  
HETATM   16  C   UNL     1       3.599   0.534  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1       3.838   1.906   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.136   2.371   0.001  1.00  0.00           C  
HETATM   19  C   UNL     1       6.199   1.480   0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       5.977   0.119  -0.001  1.00  0.00           C  
HETATM   21  C   UNL     1       4.675  -0.369  -0.001  1.00  0.00           C  
HETATM   22  N   UNL     1       4.424  -1.728  -0.001  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.670   1.291   0.001  1.00  0.00           N1+
HETATM   24  O   UNL     1      -2.846  -0.731  -0.005  1.00  0.00           O  
HETATM   25  H   UNL     1       5.175  -3.686   0.009  1.00  0.00           H  
HETATM   26  H   UNL     1       6.161  -2.503  -0.885  1.00  0.00           H  
HETATM   27  H   UNL     1       6.158  -2.496   0.895  1.00  0.00           H  
HETATM   28  H   UNL     1       3.009  -3.290   0.003  1.00  0.00           H  
HETATM   29  H   UNL     1       1.081  -1.854  -0.001  1.00  0.00           H  
HETATM   30  H   UNL     1       1.260   1.907  -0.001  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.306  -0.772   0.000  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.114   2.200   0.000  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.641  -2.957  -0.006  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.075  -2.615   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.013  -0.342   0.005  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.526   1.614   0.006  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.777   3.116   1.028  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.889   3.169  -0.513  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.666   3.064  -0.513  1.00  0.00           H  
HETATM   40  H   UNL     1       3.012   2.602  -0.001  1.00  0.00           H  
HETATM   41  H   UNL     1       5.326   3.434   0.002  1.00  0.00           H  
HETATM   42  H   UNL     1       7.212   1.857   0.001  1.00  0.00           H  
HETATM   43  H   UNL     1       6.812  -0.566  -0.002  1.00  0.00           H  
CONECT    1   22   25   26   27                                       
CONECT    2    3    3   22   28                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   16                                       
CONECT    5    6    4    4   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    8    6    6   32                                       
CONECT    8   24   23   23    7                                       
CONECT    9   10   10   14   24                                       
CONECT   10   11    9    9   33                                       
CONECT   11   12   12   10   34                                       
CONECT   12   11   11   13   35                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13    9   23                                       
CONECT   15   23   37   38   39                                       
CONECT   16    4   21   21   17                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   19   41                                       
CONECT   19   20   20   18   42                                       
CONECT   20   21   19   19   43                                       
CONECT   21   22   16   16   20                                       
CONECT   22    2    1   21                                            
CONECT   23   14   15    8    8                                       
CONECT   24    9    8                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
