COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.873  -1.180   1.654  1.00  0.00           O  
HETATM    2  P   UNL     1      -6.713   2.477   0.251  1.00  0.00           P  
HETATM    3  C   UNL     1      -3.898  -2.081   0.412  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.651  -1.115  -1.052  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.365   3.067   0.906  1.00  0.00           O  
HETATM    6  O   UNL     1      -7.357   3.576  -0.733  1.00  0.00           O  
HETATM    7  O   UNL     1      -6.365   1.146  -0.585  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.877  -0.051   0.024  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.973  -1.408  -1.764  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.627  -0.605  -2.067  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.128  -2.397  -0.399  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.135  -2.941   0.455  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.954  -2.078   1.623  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.734  -1.803  -0.209  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.514  -1.602   0.577  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.345  -1.302  -0.363  1.00  0.00           C  
HETATM   17  C   UNL     1       0.909  -1.095   0.445  1.00  0.00           C  
HETATM   18  N   UNL     1       2.073  -0.817  -0.176  1.00  0.00           N  
HETATM   19  C   UNL     1       3.293  -0.616   0.610  1.00  0.00           C  
HETATM   20  C   UNL     1       4.462  -0.316  -0.331  1.00  0.00           C  
HETATM   21  S   UNL     1       5.969  -0.068   0.641  1.00  0.00           S  
HETATM   22  C   UNL     1       7.119   0.251  -0.656  1.00  0.00           C  
HETATM   23  O   UNL     1       6.747   0.248  -1.813  1.00  0.00           O  
HETATM   24  C   UNL     1       8.536   0.522  -0.336  1.00  0.00           C  
HETATM   25  C   UNL     1       8.976   0.529   0.988  1.00  0.00           C  
HETATM   26  N   UNL     1      10.239   0.770   1.273  1.00  0.00           N  
HETATM   27  C   UNL     1      11.132   1.013   0.332  1.00  0.00           C  
HETATM   28  C   UNL     1      10.775   1.025  -1.005  1.00  0.00           C  
HETATM   29  C   UNL     1       9.462   0.771  -1.357  1.00  0.00           C  
HETATM   30  H   UNL     1      -4.686   3.305   0.260  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.592   4.406  -0.295  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.607  -0.414   0.748  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.935   0.158   0.532  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.299  -0.520  -2.305  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.833  -2.230  -2.467  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.729  -1.684  -1.028  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.728  -0.277  -1.544  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.371  -1.407  -2.760  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.050   0.233  -2.621  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.877  -3.122  -1.173  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.408  -2.349   1.169  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.705  -1.735  -1.176  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.656  -0.764   1.260  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.298  -2.504   1.149  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.204  -2.140  -1.046  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.562  -0.400  -0.936  1.00  0.00           H  
HETATM   47  H   UNL     1       2.102  -0.749  -1.143  1.00  0.00           H  
HETATM   48  H   UNL     1       3.151   0.222   1.293  1.00  0.00           H  
HETATM   49  H   UNL     1       3.509  -1.518   1.182  1.00  0.00           H  
HETATM   50  H   UNL     1       4.603  -1.153  -1.013  1.00  0.00           H  
HETATM   51  H   UNL     1       4.245   0.587  -0.902  1.00  0.00           H  
HETATM   52  H   UNL     1       8.275   0.335   1.786  1.00  0.00           H  
HETATM   53  H   UNL     1      12.158   1.205   0.610  1.00  0.00           H  
HETATM   54  H   UNL     1      11.515   1.225  -1.765  1.00  0.00           H  
HETATM   55  H   UNL     1       9.157   0.770  -2.393  1.00  0.00           H  
HETATM   56  O   UNL     1      -7.679   2.148   1.323  1.00  0.00           O  
CONECT    1   17   17                                                 
CONECT    2    5    6    7   56                                       
CONECT    2   56                                                      
CONECT    3   11   13   13   14                                       
CONECT    4    8    9   10   11                                       
CONECT    5    2   30                                                 
CONECT    6    2   31                                                 
CONECT    7    2    8                                                 
CONECT    8    4    7   32   33                                       
CONECT    9    4   34   35   36                                       
CONECT   10    4   37   38   39                                       
CONECT   11    3    4   12   40                                       
CONECT   12   11   41                                                 
CONECT   13    3    3                                                 
CONECT   14    3   15   42                                            
CONECT   15   14   16   43   44                                       
CONECT   16   15   17   45   46                                       
CONECT   17    1    1   16   18                                       
CONECT   18   17   19   47                                            
CONECT   19   18   20   48   49                                       
CONECT   20   19   21   50   51                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   25   29                                       
CONECT   25   24   24   26   52                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28   53                                       
CONECT   28   27   29   29   54                                       
CONECT   29   24   28   28   55                                       
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56    2    2                                                 
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
