COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.326  -2.478  -0.969  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.806  -2.733  -1.082  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.542  -1.535  -0.670  1.00  0.00           N  
HETATM    4  C   UNL     1       0.425  -3.279  -0.255  1.00  0.00           C  
HETATM    5  C   UNL     1       1.906  -3.023  -0.142  1.00  0.00           C  
HETATM    6  O   UNL     1       2.249  -1.769  -0.770  1.00  0.00           O  
HETATM    7  C   UNL     1       2.312  -2.848   1.338  1.00  0.00           C  
HETATM    8  O   UNL     1       2.847  -4.067   1.859  1.00  0.00           O  
HETATM    9  C   UNL     1       3.401  -1.750   1.302  1.00  0.00           C  
HETATM   10  O   UNL     1       4.640  -2.256   1.801  1.00  0.00           O  
HETATM   11  C   UNL     1       3.519  -1.391  -0.196  1.00  0.00           C  
HETATM   12  N   UNL     1       3.745   0.047  -0.360  1.00  0.00           N  
HETATM   13  C   UNL     1       2.787   0.996  -0.562  1.00  0.00           C  
HETATM   14  N   UNL     1       3.339   2.170  -0.664  1.00  0.00           N  
HETATM   15  C   UNL     1       4.682   2.051  -0.529  1.00  0.00           C  
HETATM   16  C   UNL     1       5.762   2.949  -0.558  1.00  0.00           C  
HETATM   17  N   UNL     1       5.551   4.303  -0.749  1.00  0.00           N  
HETATM   18  N   UNL     1       6.990   2.468  -0.393  1.00  0.00           N  
HETATM   19  C   UNL     1       7.200   1.178  -0.210  1.00  0.00           C  
HETATM   20  N   UNL     1       6.220   0.299  -0.182  1.00  0.00           N  
HETATM   21  C   UNL     1       4.959   0.686  -0.338  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.030  -0.315  -0.300  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.718   0.827   0.098  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.018   1.950   0.505  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.632   1.942   0.524  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.937   0.817   0.138  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.630  -0.325  -0.275  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.077   0.842   0.082  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.712  -1.418  -0.700  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.889  -1.532  -0.690  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.495  -2.523  -1.049  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.895   3.149   0.962  1.00  0.00           N1+
HETATM   33  O   UNL     1      -2.677   3.145   0.980  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.506   4.145   1.304  1.00  0.00           O1-
HETATM   35  H   UNL     1       0.117  -1.633  -1.477  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.055  -2.976  -2.115  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.081  -3.568  -0.437  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.059  -0.744  -0.384  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.017  -4.124   0.253  1.00  0.00           H  
HETATM   40  H   UNL     1       2.467  -3.841  -0.595  1.00  0.00           H  
HETATM   41  H   UNL     1       1.459  -2.522   1.933  1.00  0.00           H  
HETATM   42  H   UNL     1       2.143  -4.728   1.800  1.00  0.00           H  
HETATM   43  H   UNL     1       3.085  -0.880   1.878  1.00  0.00           H  
HETATM   44  H   UNL     1       4.485  -2.518   2.719  1.00  0.00           H  
HETATM   45  H   UNL     1       4.328  -1.956  -0.659  1.00  0.00           H  
HETATM   46  H   UNL     1       1.727   0.802  -0.627  1.00  0.00           H  
HETATM   47  H   UNL     1       6.305   4.914  -0.763  1.00  0.00           H  
HETATM   48  H   UNL     1       4.650   4.642  -0.872  1.00  0.00           H  
HETATM   49  H   UNL     1       8.214   0.830  -0.080  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.554   2.836   0.810  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.858   0.817   0.156  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.343   1.153  -0.794  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.842  -1.335  -1.655  1.00  0.00           H  
CONECT    1    2    4    4   35                                       
CONECT    2    1    3   36   37                                       
CONECT    3    2   30   38                                            
CONECT    4    1    1    5   39                                       
CONECT    5    4    6    7   40                                       
CONECT    6    5   11                                                 
CONECT    7    5    8    9   41                                       
CONECT    8    7   42                                                 
CONECT    9    7   10   11   43                                       
CONECT   10    9   44                                                 
CONECT   11    6    9   12   45                                       
CONECT   12   11   13   21                                            
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   16   21                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   47   48                                            
CONECT   18   16   19   19                                            
CONECT   19   18   18   20   49                                       
CONECT   20   19   21   21                                            
CONECT   21   12   15   20   20                                       
CONECT   22   23   23   27   29                                       
CONECT   23   22   22   24   28                                       
CONECT   24   23   25   25   50                                       
CONECT   25   24   24   26   32                                       
CONECT   26   25   27   27   51                                       
CONECT   27   22   26   26   30                                       
CONECT   28   23   52                                                 
CONECT   29   22   53                                                 
CONECT   30    3   27   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   25   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
