COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.373   2.753   0.923  1.00  0.00           N  
HETATM    2  C   UNL     1       2.343   3.532   0.657  1.00  0.00           C  
HETATM    3  C   UNL     1       2.422   5.004   0.968  1.00  0.00           C  
HETATM    4  C   UNL     1       1.186   3.009   0.098  1.00  0.00           C  
HETATM    5  O   UNL     1       0.127   3.816  -0.174  1.00  0.00           O  
HETATM    6  C   UNL     1       1.129   1.649  -0.189  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.106   1.040  -0.801  1.00  0.00           C  
HETATM    8  C   UNL     1       2.234   0.867   0.107  1.00  0.00           C  
HETATM    9  C   UNL     1       3.350   1.459   0.669  1.00  0.00           C  
HETATM   10  C   UNL     1       2.219  -0.613  -0.179  1.00  0.00           C  
HETATM   11  O   UNL     1       3.467  -1.187   0.215  1.00  0.00           O  
HETATM   12  P   UNL     1       3.381  -2.760  -0.118  1.00  0.00           P  
HETATM   13  O   UNL     1       4.805  -3.449   0.180  1.00  0.00           O  
HETATM   14  O   UNL     1       2.251  -3.442   0.804  1.00  0.00           O  
HETATM   15  O   UNL     1       3.032  -2.944  -1.544  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.016   0.602   0.266  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.193   0.022  -0.396  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.759  -1.163  -1.261  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.188  -0.457   0.663  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.413  -1.062  -0.026  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.394  -1.534   1.017  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.550  -2.102   0.642  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.138  -1.401   2.191  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.847   1.066  -1.264  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.857   2.351  -0.876  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.362   0.746  -2.309  1.00  0.00           O  
HETATM   27  H   UNL     1       2.819   5.537   0.104  1.00  0.00           H  
HETATM   28  H   UNL     1       1.426   5.380   1.201  1.00  0.00           H  
HETATM   29  H   UNL     1       3.079   5.160   1.824  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.433   3.818   0.615  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.606   1.782  -1.424  1.00  0.00           H  
HETATM   32  H   UNL     1       0.176   0.183  -1.412  1.00  0.00           H  
HETATM   33  H   UNL     1       4.214   0.855   0.902  1.00  0.00           H  
HETATM   34  H   UNL     1       1.410  -1.083   0.381  1.00  0.00           H  
HETATM   35  H   UNL     1       2.065  -0.775  -1.246  1.00  0.00           H  
HETATM   36  H   UNL     1       2.516  -3.299   1.723  1.00  0.00           H  
HETATM   37  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.554  -0.153   0.750  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.286  -1.917  -0.633  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.632  -1.593  -1.752  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.050  -0.821  -2.015  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.715  -1.212   1.291  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.497   0.387   1.280  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.887  -0.307  -0.653  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.104  -1.906  -0.642  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.179  -2.406   1.311  1.00  0.00           H  
HETATM   47  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2    9    9                                            
CONECT    2    1    3    4    4                                       
CONECT    3    2   27   28   29                                       
CONECT    4    2    2    5    6                                       
CONECT    5    4   30                                                 
CONECT    6    4    7    8    8                                       
CONECT    7    6   16   31   32                                       
CONECT    8    6    6    9   10                                       
CONECT    9    1    1    8   33                                       
CONECT   10    8   11   34   35                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   36                                                 
CONECT   15   12   37                                                 
CONECT   16    7   17   38                                            
CONECT   17   16   18   19   24                                       
CONECT   18   17   39   40   41                                       
CONECT   19   17   20   42   43                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   46                                                 
CONECT   23   21   21                                                 
CONECT   24   17   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   47                                                 
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
