COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.530   0.343  -0.145  1.00  0.00           C  
HETATM    2  C   UNL     1       2.927  -1.038  -0.166  1.00  0.00           C  
HETATM    3  C   UNL     1       1.523  -1.203  -0.166  1.00  0.00           C  
HETATM    4  C   UNL     1       0.665  -0.082  -0.143  1.00  0.00           C  
HETATM    5  CA  UNL     1      -1.453   0.789  -0.122  1.00  0.00           C1-
HETATM    6  C   UNL     1      -2.834   0.756  -0.726  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.879   0.761   0.392  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.270   0.882  -0.185  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.951  -0.269   0.190  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.893  -0.572   1.110  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.276  -0.430  -0.210  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.894   0.544  -0.966  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.206   1.686  -1.334  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.890   1.853  -0.940  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.035   1.905   0.603  1.00  0.00           C  
HETATM   16  C   UNL     1       0.994  -2.518  -0.192  1.00  0.00           C  
HETATM   17  C   UNL     1       1.847  -3.575  -0.214  1.00  0.00           C  
HETATM   18  C   UNL     1       1.298  -4.978  -0.242  1.00  0.00           C  
HETATM   19  C   UNL     1       3.723  -2.132  -0.189  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.635  -0.245  -0.281  1.00  0.00           N1+
HETATM   21  N   UNL     1      -5.119  -1.097   0.945  1.00  0.00           N  
HETATM   22  N   UNL     1       3.191  -3.378  -0.213  1.00  0.00           N1+
HETATM   23  O   UNL     1       5.580   2.419  -1.265  1.00  0.00           O  
HETATM   24  O   UNL     1       5.748   2.315   1.252  1.00  0.00           O  
HETATM   25  O   UNL     1       4.955   0.240  -0.155  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.971  -1.072   1.719  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.380   1.761   1.622  1.00  0.00           O  
HETATM   28  OXT UNL     1      -1.355   3.148   0.175  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.351  -2.720  -0.193  1.00  0.00           O1-
HETATM   30  P   UNL     1       5.927   1.523  -0.139  1.00  0.00           P  
HETATM   31  O   UNL     1       7.456   1.041  -0.288  1.00  0.00           O  
HETATM   32  H   UNL     1       3.200   0.897  -1.024  1.00  0.00           H  
HETATM   33  H   UNL     1       3.210   0.866   0.756  1.00  0.00           H  
HETATM   34  H   UNL     1       1.075   0.908  -0.012  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.974   1.632  -1.359  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.947  -0.147  -1.325  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.684   1.573   1.092  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.821  -1.318   0.073  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.921   0.414  -1.274  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.694   2.446  -1.926  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.349   2.743  -1.225  1.00  0.00           H  
HETATM   42  H   UNL     1       1.164  -5.295  -1.276  1.00  0.00           H  
HETATM   43  H   UNL     1       1.995  -5.650   0.257  1.00  0.00           H  
HETATM   44  H   UNL     1       0.338  -5.002   0.273  1.00  0.00           H  
HETATM   45  H   UNL     1       4.796  -2.010  -0.193  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.394  -1.952   1.309  1.00  0.00           H  
HETATM   47  H   UNL     1       5.958   1.787   2.034  1.00  0.00           H  
HETATM   48  HXT UNL     1      -1.022   3.857   0.742  1.00  0.00           H  
HETATM   49  H   UNL     1       8.098   1.764  -0.286  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.994  -1.119  -0.498  1.00  0.00           H  
HETATM   51  H   UNL     1       3.783  -4.146  -0.229  1.00  0.00           H  
CONECT    1    2   25   32   33                                       
CONECT    2    3    3   19    1                                       
CONECT    3   16    4    2    2                                       
CONECT    4   20   20    3   34                                       
CONECT    5   15   20    6                                            
CONECT    6    5    7   35   36                                       
CONECT    7   10    6    8   37                                       
CONECT    8    7    9    9   14                                       
CONECT    9   21    8    8   11                                       
CONECT   10   26   26   21    7                                       
CONECT   11    9   12   12   38                                       
CONECT   12   11   11   13   39                                       
CONECT   13   14   14   12   40                                       
CONECT   14    8   13   13   41                                       
CONECT   15   27   27   28    5                                       
CONECT   16   29   17   17    3                                       
CONECT   17   18   16   16   22                                       
CONECT   18   17   42   43   44                                       
CONECT   19   22   22    2   45                                       
CONECT   20    5    4    4   50                                       
CONECT   21   10    9   46                                            
CONECT   22   17   19   19   51                                       
CONECT   23   30   30                                                 
CONECT   24   30   47                                                 
CONECT   25    1   30                                                 
CONECT   26   10   10                                                 
CONECT   27   15   15                                                 
CONECT   28   15   48                                                 
CONECT   29   16                                                      
CONECT   30   25   23   23   24                                       
CONECT   30   31                                                      
CONECT   31   30   49                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   31                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
