COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.004  -0.245  -0.844  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.061   2.081   0.812  1.00  0.00           O  
HETATM    3  N   UNL     1      -4.775   2.615   0.242  1.00  0.00           N1+
HETATM    4  C   UNL     1      -2.453   0.100  -1.094  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.620   0.789  -0.835  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.595   1.915  -0.021  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.396   2.342   0.529  1.00  0.00           C  
HETATM    8  C   UNL     1       5.907   2.492  -0.328  1.00  0.00           C  
HETATM    9  C   UNL     1       4.521   4.058   1.109  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.041   2.162  -0.340  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.747   3.802   1.101  1.00  0.00           C  
HETATM   12  C   UNL     1       0.038  -1.491   0.003  1.00  0.00           C  
HETATM   13  C   UNL     1       0.019  -1.388   1.380  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.951  -2.885  -2.704  1.00  0.00           O1-
HETATM   15  N   UNL     1       4.617   2.874   0.251  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.254   0.524  -0.546  1.00  0.00           C  
HETATM   17  C   UNL     1       0.049  -2.523   2.165  1.00  0.00           C  
HETATM   18  C   UNL     1       0.098  -3.789   1.568  1.00  0.00           C  
HETATM   19  C   UNL     1       0.116  -3.900   0.177  1.00  0.00           C  
HETATM   20  C   UNL     1       0.081  -2.748  -0.608  1.00  0.00           C  
HETATM   21  C   UNL     1       0.100  -2.855  -2.079  1.00  0.00           C  
HETATM   22  C   UNL     1       0.135  -4.999   2.406  1.00  0.00           C  
HETATM   23  O   UNL     1       1.166  -2.914  -2.674  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.223   1.647   0.266  1.00  0.00           C  
HETATM   25  O   UNL     1       0.182  -6.094   1.887  1.00  0.00           O  
HETATM   26  C   UNL     1       1.123   1.712   0.268  1.00  0.00           C  
HETATM   27  C   UNL     1       1.218   0.592  -0.543  1.00  0.00           C  
HETATM   28  C   UNL     1       2.256   2.471   0.533  1.00  0.00           C  
HETATM   29  C   UNL     1       3.478   2.111  -0.015  1.00  0.00           C  
HETATM   30  C   UNL     1       3.567   0.986  -0.826  1.00  0.00           C  
HETATM   31  C   UNL     1       2.440   0.233  -1.087  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.474  -0.775  -1.727  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.552   0.454  -1.266  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.374   3.217   1.162  1.00  0.00           H  
HETATM   35  H   UNL     1       6.672   3.201  -0.011  1.00  0.00           H  
HETATM   36  H   UNL     1       6.175   1.491   0.012  1.00  0.00           H  
HETATM   37  H   UNL     1       5.833   2.498  -1.416  1.00  0.00           H  
HETATM   38  H   UNL     1       4.300   4.933   0.497  1.00  0.00           H  
HETATM   39  H   UNL     1       3.725   3.914   1.839  1.00  0.00           H  
HETATM   40  H   UNL     1       5.468   4.208   1.628  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.522   1.458   0.339  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.695   3.020  -0.498  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.847   1.672  -1.294  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.907   3.504   2.138  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.778   4.293   1.010  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.534   4.490   0.795  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.018  -0.414   1.846  1.00  0.00           H  
HETATM   48  H   UNL     1       0.035  -2.435   3.241  1.00  0.00           H  
HETATM   49  H   UNL     1       0.154  -4.874  -0.289  1.00  0.00           H  
HETATM   50  H   UNL     1       0.121  -4.911   3.482  1.00  0.00           H  
HETATM   51  H   UNL     1       2.184   3.344   1.165  1.00  0.00           H  
HETATM   52  H   UNL     1       4.517   0.702  -1.254  1.00  0.00           H  
HETATM   53  H   UNL     1       2.511  -0.640  -1.719  1.00  0.00           H  
CONECT    1   12   16   16   27                                       
CONECT    2   24   26                                                 
CONECT    3   11    6    6   10                                       
CONECT    4    5    5   16   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    3    3    7                                       
CONECT    7    6   24   24   34                                       
CONECT    8   15   35   36   37                                       
CONECT    9   15   38   39   40                                       
CONECT   10    3   41   42   43                                       
CONECT   11    3   44   45   46                                       
CONECT   12   20   20   13    1                                       
CONECT   13   17   17   12   47                                       
CONECT   14   21                                                      
CONECT   15   29    9    8                                            
CONECT   16    4    1    1   24                                       
CONECT   17   18   13   13   48                                       
CONECT   18   22   19   19   17                                       
CONECT   19   18   18   20   49                                       
CONECT   20   19   21   12   12                                       
CONECT   21   23   23   20   14                                       
CONECT   22   25   25   18   50                                       
CONECT   23   21   21                                                 
CONECT   24   16    7    7    2                                       
CONECT   25   22   22                                                 
CONECT   26   27    2   28   28                                       
CONECT   27    1   31   31   26                                       
CONECT   28   26   26   29   51                                       
CONECT   29   30   30   28   15                                       
CONECT   30   31   29   29   52                                       
CONECT   31   27   27   30   53                                       
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
