COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.763  -0.422  -0.869  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.799  -0.014   0.383  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.092  -0.084   1.153  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.659   0.479   1.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.701   0.899   2.292  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.471   0.538   0.277  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.209   1.068   0.908  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.479   0.104  -1.038  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.654  -0.379  -1.582  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.218   0.148  -1.862  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.486  -0.361  -3.170  1.00  0.00           O  
HETATM   12  P   UNL     1       0.895  -0.285  -3.992  1.00  0.00           P  
HETATM   13  O   UNL     1       1.921  -1.104  -3.309  1.00  0.00           O  
HETATM   14  O   UNL     1       0.665  -0.847  -5.483  1.00  0.00           O  
HETATM   15  O   UNL     1       1.392   1.244  -4.066  1.00  0.00           O  
HETATM   16  N   UNL     1       0.523  -0.037   1.538  1.00  0.00           N  
HETATM   17  CA  UNL     1       1.735   0.543   2.131  1.00  0.00           C  
HETATM   18  C   UNL     1       2.852   0.514   1.119  1.00  0.00           C  
HETATM   19  O   UNL     1       3.712   1.362   1.145  1.00  0.00           O  
HETATM   20  C   UNL     1       2.141  -0.270   3.362  1.00  0.00           C  
HETATM   21  C   UNL     1       1.008  -0.241   4.389  1.00  0.00           C  
HETATM   22  C   UNL     1       1.414  -1.054   5.619  1.00  0.00           C  
HETATM   23  C   UNL     1       0.280  -1.025   6.646  1.00  0.00           C  
HETATM   24  OXT UNL     1       2.891  -0.452   0.189  1.00  0.00           O  
HETATM   25  H   UNL     1      -5.644   0.846   1.023  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.691  -0.916   0.782  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.877  -0.235   2.211  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.926   1.839   2.272  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.465   1.811   1.663  1.00  0.00           H  
HETATM   30  H   UNL     1       0.414   1.527   0.142  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.665  -0.723  -2.606  1.00  0.00           H  
HETATM   32  H   UNL     1       0.129   1.178  -1.939  1.00  0.00           H  
HETATM   33  H   UNL     1       0.548  -0.460  -1.385  1.00  0.00           H  
HETATM   34  H   UNL     1       1.515  -0.784  -5.940  1.00  0.00           H  
HETATM   35  H   UNL     1       0.697   1.742  -4.517  1.00  0.00           H  
HETATM   36  H   UNL     1       0.827  -0.646   0.793  1.00  0.00           H  
HETATM   37  HA  UNL     1       1.538   1.573   2.425  1.00  0.00           H  
HETATM   38  H   UNL     1       3.041   0.160   3.801  1.00  0.00           H  
HETATM   39  H   UNL     1       2.339  -1.300   3.067  1.00  0.00           H  
HETATM   40  H   UNL     1       0.108  -0.672   3.949  1.00  0.00           H  
HETATM   41  H   UNL     1       0.810   0.789   4.683  1.00  0.00           H  
HETATM   42  H   UNL     1       2.313  -0.623   6.059  1.00  0.00           H  
HETATM   43  H   UNL     1       1.611  -2.085   5.325  1.00  0.00           H  
HETATM   44  H   UNL     1       0.569  -1.605   7.523  1.00  0.00           H  
HETATM   45  H   UNL     1       0.083   0.004   6.941  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.619  -1.456   6.207  1.00  0.00           H  
HETATM   47  HXT UNL     1       3.607  -0.470  -0.459  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   25   26   27                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   28                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    6   16   29   30                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   31                                       
CONECT   10    8   11   32   33                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   34                                                 
CONECT   15   12   35                                                 
CONECT   16    7   17   36                                            
CONECT   17   16   18   20   37                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   38   39                                       
CONECT   21   20   22   40   41                                       
CONECT   22   21   23   42   43                                       
CONECT   23   22   44   45   46                                       
CONECT   24   18   47                                                 
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
