COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.227  -1.562  -1.335  1.00  0.00           C  
HETATM    2  N   UNL     1       0.997  -1.555  -0.569  1.00  0.00           N1+
HETATM    3  O   UNL     1       4.201  -0.943  -1.729  1.00  0.00           O  
HETATM    4  P   UNL     1      -4.515   2.399  -0.112  1.00  0.00           P  
HETATM    5  N   UNL     1      -3.526  -3.060   0.747  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.340  -3.713   0.641  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.212  -3.043   0.291  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.026  -3.700   0.185  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.286  -1.650   0.037  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.539  -1.005   0.157  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.626  -1.729   0.510  1.00  0.00           C  
HETATM   12  CA  UNL     1       2.057  -0.881  -0.998  1.00  0.00           C  
HETATM   13  C   UNL     1       1.997   0.620  -1.119  1.00  0.00           C  
HETATM   14  C   UNL     1       3.097   3.393  -0.078  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.341   2.826  -1.655  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.275  -5.193   0.915  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.705   3.296   0.742  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.065   2.515   0.306  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.134  -0.922  -0.328  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.019   0.880   0.084  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.661   0.474  -0.103  1.00  0.00           C  
HETATM   22  C   UNL     1       1.775   2.644   0.207  1.00  0.00           C  
HETATM   23  C   UNL     1       4.148   2.425   0.429  1.00  0.00           C  
HETATM   24  N   UNL     1       2.200   1.227   0.204  1.00  0.00           N  
HETATM   25  C   UNL     1       3.549   1.180   0.575  1.00  0.00           C  
HETATM   26  C   UNL     1       5.482   2.599   0.733  1.00  0.00           C  
HETATM   27  C   UNL     1       5.646   0.290   1.344  1.00  0.00           C  
HETATM   28  OXT UNL     1       3.279  -2.910  -1.232  1.00  0.00           O  
HETATM   29  C   UNL     1       4.313   0.110   1.040  1.00  0.00           C  
HETATM   30  C   UNL     1       6.234   1.533   1.191  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.585  -1.242   0.599  1.00  0.00           H  
HETATM   32  H   UNL     1       2.777   0.961  -1.799  1.00  0.00           H  
HETATM   33  H   UNL     1       1.022   0.914  -1.508  1.00  0.00           H  
HETATM   34  H   UNL     1       3.218   3.569  -1.146  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.845   2.279  -2.273  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.267  -5.558   1.180  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.923  -5.712   0.023  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.432   3.405   0.213  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.178   0.154  -0.411  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.020   1.020   0.589  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.356   0.689  -1.127  1.00  0.00           H  
HETATM   42  H   UNL     1       1.374   2.924   1.181  1.00  0.00           H  
HETATM   43  H   UNL     1       5.940   3.570   0.612  1.00  0.00           H  
HETATM   44  H   UNL     1       6.233  -0.542   1.704  1.00  0.00           H  
HETATM   45  HXT UNL     1       4.130  -3.291  -1.488  1.00  0.00           H  
HETATM   46  H   UNL     1       3.859  -0.862   1.162  1.00  0.00           H  
HETATM   47  H   UNL     1       7.278   1.670   1.429  1.00  0.00           H  
HETATM   48  H   UNL     1       1.054  -2.514  -0.433  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.321  -3.558   0.995  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.082  -4.645   0.379  1.00  0.00           H  
HETATM   51  H   UNL     1       3.139   4.332   0.475  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.587  -5.380   1.739  1.00  0.00           H  
HETATM   53  H   UNL     1       1.047   2.831  -0.581  1.00  0.00           H  
CONECT    1   12    3    3   28                                       
CONECT    2   19   12   12   48                                       
CONECT    3    1    1                                                 
CONECT    4   15   17   17   18                                       
CONECT    4   20                                                      
CONECT    5   11    6   49                                            
CONECT    6    5    7    7   16                                       
CONECT    7    6    6    9    8                                       
CONECT    8    7   50                                                 
CONECT    9    7   10   19   19                                       
CONECT   10    9   11   11   21                                       
CONECT   11    5   10   10   31                                       
CONECT   12    1    2    2   13                                       
CONECT   13   12   32   33   24                                       
CONECT   14   23   34   22   51                                       
CONECT   15    4   35                                                 
CONECT   16    6   36   37   52                                       
CONECT   17    4    4                                                 
CONECT   18    4   38                                                 
CONECT   19    2    9    9   39                                       
CONECT   20    4   21                                                 
CONECT   21   10   20   40   41                                       
CONECT   22   14   24   42   53                                       
CONECT   23   14   25   25   26                                       
CONECT   24   22   13   25                                            
CONECT   25   23   23   24   29                                       
CONECT   26   23   30   30   43                                       
CONECT   27   44   29   29   30                                       
CONECT   28    1   45                                                 
CONECT   29   25   27   27   46                                       
CONECT   30   26   26   27   47                                       
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   22                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
