COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.550   2.097  -0.915  1.00  0.00           O  
HETATM    2  P   UNL     1       7.034   0.812  -0.094  1.00  0.00           P  
HETATM    3  O   UNL     1       7.971  -0.453  -0.431  1.00  0.00           O  
HETATM    4  O   UNL     1       7.093   1.098   1.357  1.00  0.00           O  
HETATM    5  O   UNL     1       5.515   0.481  -0.513  1.00  0.00           O  
HETATM    6  P   UNL     1       4.321  -0.353   0.173  1.00  0.00           P  
HETATM    7  O   UNL     1       4.238  -0.004   1.609  1.00  0.00           O  
HETATM    8  O   UNL     1       4.611  -1.929   0.020  1.00  0.00           O  
HETATM    9  O   UNL     1       2.928   0.009  -0.549  1.00  0.00           O  
HETATM   10  C   UNL     1       1.666  -0.489  -0.101  1.00  0.00           C  
HETATM   11  C   UNL     1       0.556   0.047  -1.006  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.775  -0.479  -0.533  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.639   0.119   0.271  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.342   1.487   0.828  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.533  -2.034  -0.940  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.002  -1.783   0.029  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.045  -2.604   0.179  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.033  -2.296   1.069  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.130  -3.871  -0.633  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.561  -5.036   0.179  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.807  -0.521   0.591  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.801   0.089   1.477  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.433   1.269   0.785  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.161   2.560   1.194  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.735   3.573   0.562  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.558   3.366  -0.445  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.193   4.551  -1.129  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.847   2.153  -0.869  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.306   1.085  -0.290  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.611  -0.190  -0.738  1.00  0.00           N  
HETATM   31  H   UNL     1       7.980  -0.697  -1.366  1.00  0.00           H  
HETATM   32  H   UNL     1       1.672  -1.578  -0.138  1.00  0.00           H  
HETATM   33  H   UNL     1       1.490  -0.162   0.924  1.00  0.00           H  
HETATM   34  H   UNL     1       0.550   1.136  -0.969  1.00  0.00           H  
HETATM   35  H   UNL     1       0.733  -0.281  -2.031  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.352   1.806   0.501  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.088   2.196   0.470  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.369   1.450   1.917  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.703  -2.986   1.166  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.172  -4.074  -0.880  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.555  -3.753  -1.551  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.623  -5.952  -0.409  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.519  -4.833   0.426  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.136  -5.154   1.097  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.570  -0.644   1.721  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.315   0.424   2.394  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.488   2.741   2.020  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.134   4.794  -0.635  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.520   5.406  -1.071  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.383   4.308  -2.174  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.310  -0.317  -1.398  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.127  -0.955  -0.391  1.00  0.00           H  
HETATM   53  H   UNL     1       8.460   2.354  -0.713  1.00  0.00           H  
HETATM   54  H   UNL     1       4.678  -2.230  -0.897  1.00  0.00           H  
CONECT    1    2   53                                                 
CONECT    2    5    1    3    4                                       
CONECT    2    4                                                      
CONECT    3    2   31                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2                                                 
CONECT    6    8    7    7    5                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   54                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   32   33                                       
CONECT   11   10   12   34   35                                       
CONECT   12   11   13   13   15                                       
CONECT   13   14   12   12   21                                       
CONECT   14   13   36   37   38                                       
CONECT   15   12   16                                                 
CONECT   16   21   15   17   17                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   39                                                 
CONECT   19   20   17   40   41                                       
CONECT   20   19   42   43   44                                       
CONECT   21   13   22   16                                            
CONECT   22   23   21   45   46                                       
CONECT   23   29   29   24   22                                       
CONECT   24   25   25   23   47                                       
CONECT   25   26   24   24                                            
CONECT   26   27   28   28   25                                       
CONECT   27   26   48   49   50                                       
CONECT   28   26   26   29                                            
CONECT   29   28   30   23   23                                       
CONECT   30   29   51   52                                            
CONECT   31    3                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53    1                                                      
CONECT   54    8                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
