COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.125   0.888  -0.564  1.00  0.00           C  
HETATM    2  C   UNL     1       0.574   0.535   0.724  1.00  0.00           C  
HETATM    3  C   UNL     1       3.974   2.963   0.408  1.00  0.00           C  
HETATM    4  N   UNL     1       4.393  -1.100  -0.140  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.526   0.383  -0.202  1.00  0.00           C  
HETATM    6  N   UNL     1       3.861   4.338   0.588  1.00  0.00           N  
HETATM    7  N   UNL     1       1.897  -0.019   0.426  1.00  0.00           N1+
HETATM    8  C   UNL     1       2.960   0.788   0.333  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.817   2.043  -1.809  1.00  0.00           O  
HETATM   10  N   UNL     1       0.964  -2.172   0.339  1.00  0.00           N  
HETATM   11  C   UNL     1       4.277   0.215   0.035  1.00  0.00           C  
HETATM   12  C   UNL     1       2.049  -1.316   0.248  1.00  0.00           C  
HETATM   13  C   UNL     1       3.323  -1.865  -0.040  1.00  0.00           C  
HETATM   14  C   UNL     1       3.420  -3.331  -0.229  1.00  0.00           C  
HETATM   15  C   UNL     1       1.112  -3.495   0.159  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.932   0.984  -0.170  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.510   1.479  -0.533  1.00  0.00           C  
HETATM   18  C   UNL     1       2.849   2.173   0.514  1.00  0.00           C  
HETATM   19  C   UNL     1       5.228   2.409   0.118  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.256  -1.192   0.197  1.00  0.00           O  
HETATM   21  P   UNL     1      -6.476   0.213   0.107  1.00  0.00           P  
HETATM   22  O   UNL     1      -6.916   0.946  -1.101  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.801   1.092   1.416  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.891  -0.058   0.023  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.219  -0.180   1.075  1.00  0.00           O  
HETATM   26  O   UNL     1       0.428   0.700  -1.622  1.00  0.00           O  
HETATM   27  C   UNL     1       6.425   3.317   0.008  1.00  0.00           C  
HETATM   28  C   UNL     1       5.389   1.074  -0.066  1.00  0.00           C  
HETATM   29  O   UNL     1       4.486  -3.858  -0.477  1.00  0.00           O  
HETATM   30  N   UNL     1       2.294  -4.067  -0.116  1.00  0.00           N  
HETATM   31  O   UNL     1       0.130  -4.206   0.249  1.00  0.00           O  
HETATM   32  H   UNL     1       0.684   1.431   1.334  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.016  -0.204   1.266  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.480  -0.395  -0.963  1.00  0.00           H  
HETATM   35  H   UNL     1       4.646   4.903   0.511  1.00  0.00           H  
HETATM   36  H   UNL     1       2.998   4.732   0.789  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.795   1.406  -2.536  1.00  0.00           H  
HETATM   38  H   UNL     1       0.085  -1.811   0.535  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.003   1.699   0.649  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.132   1.492  -1.114  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.556   2.258   0.229  1.00  0.00           H  
HETATM   42  H   UNL     1       1.890   2.618   0.735  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.218  -1.105   0.250  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.539   0.672   2.247  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.240   0.457   1.802  1.00  0.00           H  
HETATM   46  H   UNL     1       6.895   3.419   0.986  1.00  0.00           H  
HETATM   47  H   UNL     1       7.141   2.891  -0.696  1.00  0.00           H  
HETATM   48  H   UNL     1       6.107   4.297  -0.346  1.00  0.00           H  
HETATM   49  H   UNL     1       6.367   0.671  -0.285  1.00  0.00           H  
HETATM   50  H   UNL     1       2.340  -5.028  -0.237  1.00  0.00           H  
CONECT    1   26   26   17    2                                       
CONECT    2    1    7   32   33                                       
CONECT    3   18    6   19   19                                       
CONECT    4   13   13   11                                            
CONECT    5   25   16   17   34                                       
CONECT    6    3   35   36                                            
CONECT    7    2   12   12    8                                       
CONECT    8    7   18   18   11                                       
CONECT    9   17   37                                                 
CONECT   10   15   12   38                                            
CONECT   11    8    4   28   28                                       
CONECT   12   10    7    7   13                                       
CONECT   13   12   14    4    4                                       
CONECT   14   30   13   29   29                                       
CONECT   15   31   31   10   30                                       
CONECT   16   24    5   39   40                                       
CONECT   17    5    1    9   41                                       
CONECT   18    8    8    3   42                                       
CONECT   19    3    3   28   27                                       
CONECT   20   21   43                                                 
CONECT   21   22   22   24   23                                       
CONECT   21   20                                                      
CONECT   22   21   21                                                 
CONECT   23   21   44                                                 
CONECT   24   21   16                                                 
CONECT   25    5   45                                                 
CONECT   26    1    1                                                 
CONECT   27   19   46   47   48                                       
CONECT   28   11   11   19   49                                       
CONECT   29   14   14                                                 
CONECT   30   15   14   50                                            
CONECT   31   15   15                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
