COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.360   0.444  -0.179  1.00  0.00           C  
HETATM    2  C   UNL     1       7.048   0.245   0.584  1.00  0.00           C  
HETATM    3  C   UNL     1       5.872   0.345  -0.389  1.00  0.00           C  
HETATM    4  C   UNL     1       4.561   0.146   0.373  1.00  0.00           C  
HETATM    5  C   UNL     1       3.384   0.246  -0.600  1.00  0.00           C  
HETATM    6  C   UNL     1       2.073   0.046   0.163  1.00  0.00           C  
HETATM    7  C   UNL     1       0.897   0.146  -0.811  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.395  -0.050  -0.059  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.376  -0.250   1.132  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.566  -0.003  -0.714  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.799  -0.325  -0.019  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.267  -1.723  -0.430  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.266  -2.746   0.040  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.470  -4.049  -0.210  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.280  -2.394   0.642  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.874   0.701  -0.386  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.453   2.033   0.068  1.00  0.00           N1+
HETATM   18  C   UNL     1      -2.430   2.561  -0.844  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.613   2.935   0.077  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.898   1.936   1.424  1.00  0.00           C  
HETATM   21  H   UNL     1       9.198   0.373   0.515  1.00  0.00           H  
HETATM   22  H   UNL     1       8.455  -0.325  -0.945  1.00  0.00           H  
HETATM   23  H   UNL     1       8.360   1.427  -0.650  1.00  0.00           H  
HETATM   24  H   UNL     1       7.048  -0.738   1.055  1.00  0.00           H  
HETATM   25  H   UNL     1       6.953   1.015   1.350  1.00  0.00           H  
HETATM   26  H   UNL     1       5.873   1.328  -0.860  1.00  0.00           H  
HETATM   27  H   UNL     1       5.968  -0.425  -1.155  1.00  0.00           H  
HETATM   28  H   UNL     1       4.560  -0.837   0.844  1.00  0.00           H  
HETATM   29  H   UNL     1       4.465   0.915   1.139  1.00  0.00           H  
HETATM   30  H   UNL     1       3.385   1.229  -1.071  1.00  0.00           H  
HETATM   31  H   UNL     1       3.480  -0.524  -1.366  1.00  0.00           H  
HETATM   32  H   UNL     1       2.073  -0.937   0.633  1.00  0.00           H  
HETATM   33  H   UNL     1       1.978   0.816   0.928  1.00  0.00           H  
HETATM   34  H   UNL     1       0.897   1.129  -1.281  1.00  0.00           H  
HETATM   35  H   UNL     1       0.992  -0.623  -1.576  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.627  -0.302   1.057  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.237  -1.929   0.022  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.354  -1.772  -1.516  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.828  -4.706   0.092  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.012   0.712  -1.467  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.813   0.432   0.098  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.798   2.515  -1.869  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.210   3.596  -0.584  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.522   1.963  -0.757  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.372   2.544   0.754  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.301   3.924   0.414  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.025   3.008  -0.929  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.997   1.323   1.405  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.650   2.933   1.788  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.633   1.480   2.087  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    1    3   24   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16   36                                       
CONECT   12   11   13   37   38                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   39                                                 
CONECT   15   13   13                                                 
CONECT   16   11   17   40   41                                       
CONECT   17   16   18   19   20                                       
CONECT   18   17   42   43   44                                       
CONECT   19   17   45   46   47                                       
CONECT   20   17   48   49   50                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
