COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  P   UNL     1      -2.115  -1.879   0.316  1.00  0.00           P  
HETATM    2  O   UNL     1      -2.474  -3.363   0.079  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.912  -1.633   1.828  1.00  0.00           O1-
HETATM    4  O   UNL     1      -3.311  -0.945  -0.223  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.758  -1.522  -0.473  1.00  0.00           O  
HETATM    6  C   UNL     1       0.284  -2.294   0.127  1.00  0.00           C  
HETATM    7  C   UNL     1       1.608  -2.001  -0.580  1.00  0.00           C  
HETATM    8  O   UNL     1       2.013  -0.635  -0.343  1.00  0.00           O  
HETATM    9  C   UNL     1       2.743  -2.860   0.020  1.00  0.00           C  
HETATM   10  O   UNL     1       2.979  -4.014  -0.789  1.00  0.00           O  
HETATM   11  C   UNL     1       3.974  -1.923   0.002  1.00  0.00           C  
HETATM   12  O   UNL     1       5.009  -2.472  -0.817  1.00  0.00           O  
HETATM   13  C   UNL     1       3.434  -0.609  -0.604  1.00  0.00           C  
HETATM   14  N   UNL     1       4.051   0.547   0.050  1.00  0.00           N  
HETATM   15  C   UNL     1       3.549   1.234   1.115  1.00  0.00           C  
HETATM   16  N   UNL     1       4.356   2.203   1.439  1.00  0.00           N  
HETATM   17  C   UNL     1       5.427   2.194   0.610  1.00  0.00           C  
HETATM   18  C   UNL     1       6.582   2.984   0.479  1.00  0.00           C  
HETATM   19  N   UNL     1       6.815   4.044   1.337  1.00  0.00           N  
HETATM   20  N   UNL     1       7.447   2.686  -0.485  1.00  0.00           N  
HETATM   21  C   UNL     1       7.232   1.676  -1.309  1.00  0.00           C  
HETATM   22  N   UNL     1       6.162   0.913  -1.227  1.00  0.00           N  
HETATM   23  C   UNL     1       5.242   1.135  -0.295  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.518  -0.995   0.362  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.708  -1.742   1.293  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.637  -0.121  -0.143  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.926  -0.671   0.298  1.00  0.00           N1+
HETATM   28  C   UNL     1      -5.469   1.294   0.413  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.515   2.197  -0.187  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.394   2.955   0.496  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.731   2.392  -1.497  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.715   3.236  -1.650  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.155   3.614  -0.431  1.00  0.00           N  
HETATM   34  H   UNL     1       0.049  -3.355   0.035  1.00  0.00           H  
HETATM   35  H   UNL     1       0.369  -2.032   1.181  1.00  0.00           H  
HETATM   36  H   UNL     1       1.516  -2.189  -1.650  1.00  0.00           H  
HETATM   37  H   UNL     1       2.500  -3.154   1.041  1.00  0.00           H  
HETATM   38  H   UNL     1       3.694  -4.510  -0.367  1.00  0.00           H  
HETATM   39  H   UNL     1       4.339  -1.753   1.015  1.00  0.00           H  
HETATM   40  H   UNL     1       5.260  -3.317  -0.420  1.00  0.00           H  
HETATM   41  H   UNL     1       3.621  -0.581  -1.678  1.00  0.00           H  
HETATM   42  H   UNL     1       2.619   1.009   1.615  1.00  0.00           H  
HETATM   43  H   UNL     1       7.618   4.580   1.239  1.00  0.00           H  
HETATM   44  H   UNL     1       6.174   4.255   2.034  1.00  0.00           H  
HETATM   45  H   UNL     1       7.961   1.469  -2.078  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.610  -0.089  -1.232  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.675  -0.086  -0.039  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.036  -1.605  -0.068  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.951  -0.701   1.307  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.585   1.275   1.497  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.477   1.669   0.160  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.481   3.028   1.570  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.109   3.578  -2.596  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.876   4.236  -0.247  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    5                                                      
CONECT    2    1    1                                                 
CONECT    3    1                                                      
CONECT    4    1   24                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   34   35                                       
CONECT    7    6    8    9   36                                       
CONECT    8    7   13                                                 
CONECT    9    7   10   11   37                                       
CONECT   10    9   38                                                 
CONECT   11    9   12   13   39                                       
CONECT   12   11   40                                                 
CONECT   13    8   11   14   41                                       
CONECT   14   13   15   23                                            
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   23   23                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   43   44                                            
CONECT   20   18   18   21                                            
CONECT   21   20   22   22   45                                       
CONECT   22   21   21   23                                            
CONECT   23   14   17   17   22                                       
CONECT   24    4   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   28   46                                       
CONECT   27   26   47   48   49                                       
CONECT   28   26   29   50   51                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   33   52                                       
CONECT   31   29   32   32                                            
CONECT   32   31   31   33   53                                       
CONECT   33   30   32   54                                            
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
