COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.127  -0.006  -0.451  1.00  0.00           C  
HETATM    2  C   UNL     1       3.651   0.971  -1.471  1.00  0.00           C  
HETATM    3  C   UNL     1       4.287  -0.830   0.109  1.00  0.00           C  
HETATM    4  C   UNL     1       3.749  -1.889   1.038  1.00  0.00           C  
HETATM    5  C   UNL     1       0.054   1.764   1.765  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.852   2.662   0.623  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.995   4.057   1.234  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.216   2.184   0.119  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.042  -0.339   0.013  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.101  -2.082   1.509  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.817  -2.626  -0.716  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.871  -1.259  -1.036  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.903   0.723  -1.915  1.00  0.00           C  
HETATM   14  N   UNL     1       2.477   0.730   0.642  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.059   0.902  -0.572  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.152  -0.791   1.257  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.941  -2.984   0.558  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.651  -3.579  -1.706  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.793  -0.545  -2.184  1.00  0.00           N  
HETATM   20  O   UNL     1       0.561   1.560  -0.883  1.00  0.00           O  
HETATM   21  O   UNL     1       3.499   2.158  -1.306  1.00  0.00           O  
HETATM   22  O   UNL     1       4.287   0.522  -2.565  1.00  0.00           O  
HETATM   23  O   UNL     1       2.560  -1.974   1.232  1.00  0.00           O  
HETATM   24  O   UNL     1       4.592  -2.736   1.649  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.367   1.755   1.615  1.00  0.00           O  
HETATM   26  O   UNL     1       0.182  -0.631   0.311  1.00  0.00           O  
HETATM   27  P   UNL     1       0.817   0.846   0.388  1.00  0.00           P  
HETATM   28  H   UNL     1       2.403  -0.670  -0.922  1.00  0.00           H  
HETATM   29  H   UNL     1       4.824  -1.306  -0.711  1.00  0.00           H  
HETATM   30  H   UNL     1       4.966  -0.177   0.658  1.00  0.00           H  
HETATM   31  H   UNL     1       0.413   2.793   1.759  1.00  0.00           H  
HETATM   32  H   UNL     1       0.322   1.292   2.710  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.150   2.700  -0.209  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.011   4.434   1.513  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.448   4.729   0.505  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.628   4.003   2.120  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.893   2.061   0.964  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.626   2.921  -0.572  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.197  -2.416   2.532  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.876   1.517  -2.647  1.00  0.00           H  
HETATM   41  H   UNL     1       2.677   0.303   1.535  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.569  -3.305  -2.633  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.615  -4.519  -1.472  1.00  0.00           H  
HETATM   44  H   UNL     1       4.606   1.186  -3.191  1.00  0.00           H  
HETATM   45  H   UNL     1       4.200  -3.398   2.236  1.00  0.00           H  
HETATM   46  H   UNL     1       0.311  -1.158   1.111  1.00  0.00           H  
CONECT    1    2   14    3   28                                       
CONECT    2   21   21   22    1                                       
CONECT    3    1    4   29   30                                       
CONECT    4    3   23   23   24                                       
CONECT    5   27   25   31   32                                       
CONECT    6    7    8   25   33                                       
CONECT    7    6   34   35   36                                       
CONECT    8    6   15   37   38                                       
CONECT    9   15   16   16   12                                       
CONECT   10   16   17   17   39                                       
CONECT   11   12   12   17   18                                       
CONECT   12    9   19   11   11                                       
CONECT   13   15   19   19   40                                       
CONECT   14    1   27   41                                            
CONECT   15    8    9   13                                            
CONECT   16    9    9   10                                            
CONECT   17   10   10   11                                            
CONECT   18   11   42   43                                            
CONECT   19   13   13   12                                            
CONECT   20   27   27                                                 
CONECT   21    2    2                                                 
CONECT   22    2   44                                                 
CONECT   23    4    4                                                 
CONECT   24    4   45                                                 
CONECT   25    5    6                                                 
CONECT   26   27   46                                                 
CONECT   27   20   20   26    5                                       
CONECT   27   14                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
