COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       8.262  -0.966   1.089  1.00  0.00           C  
HETATM    2  O   UNL     1       7.590  -1.823   1.613  1.00  0.00           O  
HETATM    3  C   UNL     1       7.606   0.276   0.542  1.00  0.00           C  
HETATM    4  C   UNL     1       8.080   1.495   1.337  1.00  0.00           C  
HETATM    5  O   UNL     1       6.187   0.155   0.656  1.00  0.00           O  
HETATM    6  P   UNL     1       5.199   0.201  -0.614  1.00  0.00           P  
HETATM    7  O   UNL     1       5.436   1.445  -1.380  1.00  0.00           O  
HETATM    8  O   UNL     1       5.479  -1.072  -1.559  1.00  0.00           O  
HETATM    9  O   UNL     1       3.671   0.167  -0.107  1.00  0.00           O  
HETATM   10  C   UNL     1       2.555   0.300  -0.989  1.00  0.00           C  
HETATM   11  C   UNL     1       1.256   0.224  -0.184  1.00  0.00           C  
HETATM   12  O   UNL     1       1.176   1.345   0.698  1.00  0.00           O  
HETATM   13  C   UNL     1       0.061   0.241  -1.139  1.00  0.00           C  
HETATM   14  O   UNL     1       0.141  -0.880  -2.022  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.237   0.165  -0.334  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.317   1.286   0.548  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.432   0.182  -1.289  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.675   0.109  -0.518  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.289   1.270  -0.096  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.723   2.502  -0.406  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.335   3.669   0.016  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.780   4.868  -0.288  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.521   3.621   0.752  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.092   2.427   1.067  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.487   1.227   0.648  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.078  -0.014   0.974  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.221  -1.105  -0.227  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.658  -2.239  -0.623  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.462  -1.176   0.550  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.013  -2.508   0.840  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.040  -2.645   1.478  1.00  0.00           O  
HETATM   32  N   UNL     1      -5.330  -3.576   0.365  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.197  -3.419  -0.334  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.629  -4.421  -0.735  1.00  0.00           O  
HETATM   35  H   UNL     1       7.878   0.398  -0.506  1.00  0.00           H  
HETATM   36  H   UNL     1       7.808   1.373   2.385  1.00  0.00           H  
HETATM   37  H   UNL     1       9.162   1.587   1.250  1.00  0.00           H  
HETATM   38  H   UNL     1       7.605   2.393   0.941  1.00  0.00           H  
HETATM   39  H   UNL     1       5.342  -1.924  -1.122  1.00  0.00           H  
HETATM   40  H   UNL     1       2.609   1.261  -1.501  1.00  0.00           H  
HETATM   41  H   UNL     1       2.574  -0.505  -1.724  1.00  0.00           H  
HETATM   42  H   UNL     1       1.243  -0.698   0.398  1.00  0.00           H  
HETATM   43  H   UNL     1       1.183   2.201   0.248  1.00  0.00           H  
HETATM   44  H   UNL     1       0.075   1.163  -1.721  1.00  0.00           H  
HETATM   45  H   UNL     1       0.134  -1.736  -1.571  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.250  -0.757   0.248  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.310   2.142   0.098  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.419   1.104  -1.871  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.371  -0.673  -1.962  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.806   2.548  -0.975  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.085   5.242  -1.126  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.988   4.540   1.075  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.009   2.399   1.636  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.994  -0.054   1.544  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.664  -4.471   0.537  1.00  0.00           H  
HETATM   56  O   UNL     1       9.592  -1.117   1.000  1.00  0.00           O  
HETATM   57  H   UNL     1       9.967  -1.929   1.368  1.00  0.00           H  
CONECT    1    3    2    2   56                                       
CONECT    2    1    1                                                 
CONECT    3    5    4    1   35                                       
CONECT    4    3   36   37   38                                       
CONECT    5    6    3                                                 
CONECT    6    7    7    9    8                                       
CONECT    6    5                                                      
CONECT    7    6    6                                                 
CONECT    8    6   39                                                 
CONECT    9   10    6                                                 
CONECT   10   11    9   40   41                                       
CONECT   11   12   10   13   42                                       
CONECT   12   11   43                                                 
CONECT   13   11   14   15   44                                       
CONECT   14   13   45                                                 
CONECT   15   17   13   16   46                                       
CONECT   16   15   47                                                 
CONECT   17   18   15   48   49                                       
CONECT   18   27   17   19                                            
CONECT   19   18   25   25   20                                       
CONECT   20   19   21   21   50                                       
CONECT   21   20   20   23   22                                       
CONECT   22   21   51                                                 
CONECT   23   24   24   21   52                                       
CONECT   24   25   23   23   53                                       
CONECT   25   26   19   19   24                                       
CONECT   26   29   29   25   54                                       
CONECT   27   28   28   29   18                                       
CONECT   28   33   27   27                                            
CONECT   29   30   27   26   26                                       
CONECT   30   32   31   31   29                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   55                                            
CONECT   33   34   34   32   28                                       
CONECT   34   33   33                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   32                                                      
CONECT   56    1   57                                                 
CONECT   57   56                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
