COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.655   0.570   2.475  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.801   0.779   1.286  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.842   0.224   0.637  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.021   0.451  -0.680  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.962  -0.051  -1.268  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.104   1.278  -1.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.282   1.547  -2.845  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.070   1.822  -0.698  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.923   1.567   0.639  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.804   2.162   1.373  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.190   3.185   0.578  1.00  0.00           O  
HETATM   12  C   UNL     1       0.268   1.085   1.657  1.00  0.00           C  
HETATM   13  C   UNL     1       1.577   1.873   1.422  1.00  0.00           C  
HETATM   14  O   UNL     1       2.646   1.019   1.074  1.00  0.00           O  
HETATM   15  C   UNL     1       1.169   2.809   0.265  1.00  0.00           C  
HETATM   16  C   UNL     1       1.127   2.027  -1.052  1.00  0.00           C  
HETATM   17  O   UNL     1       2.317   1.255  -1.207  1.00  0.00           O  
HETATM   18  C   UNL     1       2.500   0.302  -0.153  1.00  0.00           C  
HETATM   19  P   UNL     1       3.999  -0.686  -0.470  1.00  0.00           P  
HETATM   20  O   UNL     1       4.146  -1.817   0.666  1.00  0.00           O  
HETATM   21  O   UNL     1       3.893  -1.331  -1.798  1.00  0.00           O  
HETATM   22  O   UNL     1       5.291   0.274  -0.441  1.00  0.00           O  
HETATM   23  C   UNL     1       1.300  -0.605  -0.072  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357  -0.595  -1.083  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.744  -1.427  -1.010  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.903  -2.269   0.075  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.083  -3.160   0.154  1.00  0.00           N1+
HETATM   28  O   UNL     1      -2.222  -3.902   1.110  1.00  0.00           O1-
HETATM   29  O   UNL     1      -2.914  -3.150  -0.736  1.00  0.00           O  
HETATM   30  C   UNL     1       0.040  -2.280   1.085  1.00  0.00           C  
HETATM   31  C   UNL     1       1.144  -1.451   1.010  1.00  0.00           C  
HETATM   32  H   UNL     1      -4.466  -0.342   1.119  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.167   1.024  -3.206  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.402   2.619  -3.007  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.405   1.194  -3.388  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.360   2.455  -1.210  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.161   2.585   2.312  1.00  0.00           H  
HETATM   38  H   UNL     1       0.205   0.733   2.687  1.00  0.00           H  
HETATM   39  H   UNL     1       0.182   0.254   0.957  1.00  0.00           H  
HETATM   40  H   UNL     1       1.833   2.447   2.313  1.00  0.00           H  
HETATM   41  H   UNL     1       1.822   3.680   0.206  1.00  0.00           H  
HETATM   42  H   UNL     1       0.263   1.362  -1.049  1.00  0.00           H  
HETATM   43  H   UNL     1       1.042   2.726  -1.884  1.00  0.00           H  
HETATM   44  H   UNL     1       4.924  -2.382   0.560  1.00  0.00           H  
HETATM   45  H   UNL     1       5.423   0.731   0.401  1.00  0.00           H  
HETATM   46  H   UNL     1       0.481   0.063  -1.931  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.481  -1.418  -1.799  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.083  -2.938   1.933  1.00  0.00           H  
HETATM   49  H   UNL     1       1.883  -1.462   1.797  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    9    1    1                                       
CONECT    3    4    2   32                                            
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    4    8    8                                       
CONECT    7    6   33   34   35                                       
CONECT    8    6    6    9   36                                       
CONECT    9    8    2   10                                            
CONECT   10    9   12   11   37                                       
CONECT   11   10   15                                                 
CONECT   12   10   13   38   39                                       
CONECT   13   12   14   15   40                                       
CONECT   14   13   18                                                 
CONECT   15   11   13   16   41                                       
CONECT   16   15   17   42   43                                       
CONECT   17   18   16                                                 
CONECT   18   14   23   17   19                                       
CONECT   19   18   21   21   20                                       
CONECT   19   22                                                      
CONECT   20   19   44                                                 
CONECT   21   19   19                                                 
CONECT   22   19   45                                                 
CONECT   23   24   18   31   31                                       
CONECT   24   25   25   23   46                                       
CONECT   25   24   24   26   47                                       
CONECT   26   25   27   30   30                                       
CONECT   27   28   26   29   29                                       
CONECT   28   27                                                      
CONECT   29   27   27                                                 
CONECT   30   26   26   31   48                                       
CONECT   31   23   23   30   49                                       
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
