COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.275   1.821  -0.960  1.00  0.00           C  
HETATM    2  C   UNL     1       1.102   2.333  -1.827  1.00  0.00           C  
HETATM    3  O   UNL     1       0.824   4.397  -0.141  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.188  -3.331   0.208  1.00  0.00           O  
HETATM    5  P   UNL     1      -4.433  -2.443  -0.292  1.00  0.00           P  
HETATM    6  O   UNL     1      -4.090  -1.791  -1.576  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.719  -3.389  -0.498  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.811  -1.168   0.955  1.00  0.00           C  
HETATM    9  S   UNL     1      -3.362  -0.101   1.186  1.00  0.00           S  
HETATM   10  C   UNL     1      -3.373   0.932  -0.305  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.210   1.889  -0.262  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.124   1.681  -1.037  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.243   3.021   0.587  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.213   3.232   1.292  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.190   3.863   0.609  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.118   3.628  -0.171  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.076   2.559  -0.986  1.00  0.00           N  
HETATM   18  O   UNL     1       0.815   1.326  -2.805  1.00  0.00           O  
HETATM   19  C   UNL     1       2.908   0.754  -1.882  1.00  0.00           C  
HETATM   20  O   UNL     1       3.615  -0.221  -1.145  1.00  0.00           O  
HETATM   21  C   UNL     1       1.661   0.176  -2.582  1.00  0.00           C  
HETATM   22  C   UNL     1       0.908  -0.757  -1.627  1.00  0.00           C  
HETATM   23  O   UNL     1       1.815  -1.673  -1.015  1.00  0.00           O  
HETATM   24  C   UNL     1       2.835  -1.017  -0.252  1.00  0.00           C  
HETATM   25  P   UNL     1       3.899  -2.260   0.552  1.00  0.00           P  
HETATM   26  O   UNL     1       4.559  -3.208  -0.570  1.00  0.00           O  
HETATM   27  O   UNL     1       4.969  -1.577   1.312  1.00  0.00           O  
HETATM   28  O   UNL     1       3.014  -3.154   1.557  1.00  0.00           O  
HETATM   29  C   UNL     1       2.201  -0.136   0.793  1.00  0.00           C  
HETATM   30  C   UNL     1       0.848  -0.238   1.055  1.00  0.00           C  
HETATM   31  C   UNL     1       0.266   0.570   2.013  1.00  0.00           C  
HETATM   32  C   UNL     1       1.038   1.480   2.711  1.00  0.00           C  
HETATM   33  C   UNL     1       2.392   1.582   2.450  1.00  0.00           C  
HETATM   34  C   UNL     1       2.974   0.770   1.495  1.00  0.00           C  
HETATM   35  H   UNL     1       2.983   2.623  -0.749  1.00  0.00           H  
HETATM   36  H   UNL     1       1.911   1.372  -0.036  1.00  0.00           H  
HETATM   37  H   UNL     1       1.387   3.261  -2.324  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.342  -3.788   1.046  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.590  -4.093  -1.149  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.654  -0.566   0.615  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.064  -1.648   1.900  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.289   0.297  -1.187  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.305   1.495  -0.350  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.082   0.824  -1.694  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.205   4.641   1.188  1.00  0.00           H  
HETATM   46  H   UNL     1       3.559   1.232  -2.614  1.00  0.00           H  
HETATM   47  H   UNL     1       1.921  -0.317  -3.519  1.00  0.00           H  
HETATM   48  H   UNL     1       0.418  -0.164  -0.855  1.00  0.00           H  
HETATM   49  H   UNL     1       0.157  -1.315  -2.185  1.00  0.00           H  
HETATM   50  H   UNL     1       3.914  -3.688  -1.108  1.00  0.00           H  
HETATM   51  H   UNL     1       3.516  -3.838   2.020  1.00  0.00           H  
HETATM   52  H   UNL     1       0.244  -0.949   0.510  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.792   0.491   2.217  1.00  0.00           H  
HETATM   54  H   UNL     1       0.583   2.112   3.460  1.00  0.00           H  
HETATM   55  H   UNL     1       2.995   2.293   2.995  1.00  0.00           H  
HETATM   56  H   UNL     1       4.032   0.847   1.294  1.00  0.00           H  
CONECT    1    2   19   35   36                                       
CONECT    2   17    1   18   37                                       
CONECT    3   16   16                                                 
CONECT    4    5   38                                                 
CONECT    5    6    6    4    7                                       
CONECT    5    8                                                      
CONECT    6    5    5                                                 
CONECT    7    5   39                                                 
CONECT    8    5    9   40   41                                       
CONECT    9   10    8                                                 
CONECT   10    9   11   42   43                                       
CONECT   11   13   10   12   12                                       
CONECT   12   11   11   17   44                                       
CONECT   13   14   14   15   11                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   45                                            
CONECT   16   15    3    3   17                                       
CONECT   17   16   12    2                                            
CONECT   18    2   21                                                 
CONECT   19    1   20   21   46                                       
CONECT   20   19   24                                                 
CONECT   21   18   19   22   47                                       
CONECT   22   21   23   48   49                                       
CONECT   23   24   22                                                 
CONECT   24   20   29   23   25                                       
CONECT   25   24   27   27   26                                       
CONECT   25   28                                                      
CONECT   26   25   50                                                 
CONECT   27   25   25                                                 
CONECT   28   25   51                                                 
CONECT   29   30   24   34   34                                       
CONECT   30   31   31   29   52                                       
CONECT   31   30   30   32   53                                       
CONECT   32   31   33   33   54                                       
CONECT   33   32   32   34   55                                       
CONECT   34   29   29   33   56                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
