COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.031  -1.742  -0.482  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.991  -2.716   0.240  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.352  -1.263  -1.028  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.120  -0.293  -2.052  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.170  -0.630   0.099  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.444  -0.012  -0.481  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.545  -1.704   1.122  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.340   0.459   0.782  1.00  0.00           C  
HETATM    9  P   UNL     1      -8.614   1.324   0.323  1.00  0.00           P  
HETATM   10  O   UNL     1      -9.540   0.408  -0.381  1.00  0.00           O  
HETATM   11  O   UNL     1      -7.208   0.580   0.572  1.00  0.00           O  
HETATM   12  O   UNL     1      -8.375   2.638  -0.575  1.00  0.00           O  
HETATM   13  O   UNL     1      -9.254   1.749   1.738  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.895  -1.089  -0.797  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.628  -1.485  -0.178  1.00  0.00           C  
HETATM   16  C   UNL     1       0.497  -0.590  -0.703  1.00  0.00           C  
HETATM   17  C   UNL     1       1.801  -0.997  -0.067  1.00  0.00           C  
HETATM   18  O   UNL     1       1.828  -1.912   0.728  1.00  0.00           O  
HETATM   19  C   UNL     1      10.370   1.647  -0.470  1.00  0.00           C  
HETATM   20  N   UNL     1      11.552   1.293   0.102  1.00  0.00           N  
HETATM   21  C   UNL     1      11.307   0.257   0.946  1.00  0.00           C  
HETATM   22  N   UNL     1      10.037  -0.029   0.910  1.00  0.00           N  
HETATM   23  C   UNL     1       9.420   0.812   0.042  1.00  0.00           C  
HETATM   24  O   UNL     1       7.547   1.637  -1.079  1.00  0.00           O  
HETATM   25  C   UNL     1       7.983   0.826  -0.284  1.00  0.00           C  
HETATM   26  S   UNL     1       6.896  -0.334   0.477  1.00  0.00           S  
HETATM   27  C   UNL     1       5.330   0.155  -0.287  1.00  0.00           C  
HETATM   28  C   UNL     1       4.205  -0.739   0.237  1.00  0.00           C  
HETATM   29  N   UNL     1       2.937  -0.344  -0.381  1.00  0.00           N  
HETATM   30  H   UNL     1      -4.900  -2.107  -1.446  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.636   0.488  -1.751  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.177   0.753  -1.210  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.035  -0.787  -0.968  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.640  -2.089   1.592  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.193  -1.270   1.884  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.069  -2.517   0.620  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.074   1.224   0.053  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.923   0.910   1.585  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.433   0.018   1.195  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.104   2.204   1.665  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.777   3.284  -0.174  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.917  -0.357  -1.433  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.702  -1.377   0.904  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.411  -2.524  -0.426  1.00  0.00           H  
HETATM   45  H   UNL     1       0.281   0.449  -0.455  1.00  0.00           H  
HETATM   46  H   UNL     1       0.572  -0.697  -1.785  1.00  0.00           H  
HETATM   47  H   UNL     1      10.213   2.439  -1.187  1.00  0.00           H  
HETATM   48  H   UNL     1      12.414   1.705  -0.063  1.00  0.00           H  
HETATM   49  H   UNL     1      12.046  -0.248   1.549  1.00  0.00           H  
HETATM   50  H   UNL     1       5.113   1.194  -0.040  1.00  0.00           H  
HETATM   51  H   UNL     1       5.404   0.048  -1.370  1.00  0.00           H  
HETATM   52  H   UNL     1       4.422  -1.778  -0.010  1.00  0.00           H  
HETATM   53  H   UNL     1       4.130  -0.632   1.320  1.00  0.00           H  
HETATM   54  H   UNL     1       2.916   0.389  -1.017  1.00  0.00           H  
CONECT    1   14    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    5   30                                       
CONECT    4    3   31                                                 
CONECT    5    3    7    6    8                                       
CONECT    6   11    5   32   33                                       
CONECT    7    5   34   35   36                                       
CONECT    8    5   37   38   39                                       
CONECT    9   12   11   10   10                                       
CONECT    9   13                                                      
CONECT   10    9    9                                                 
CONECT   11    6    9                                                 
CONECT   12    9   41                                                 
CONECT   13    9   40                                                 
CONECT   14   15    1   42                                            
CONECT   15   16   14   44   43                                       
CONECT   16   17   15   45   46                                       
CONECT   17   18   18   16   29                                       
CONECT   18   17   17                                                 
CONECT   19   20   23   23   47                                       
CONECT   20   21   19   48                                            
CONECT   21   20   22   22   49                                       
CONECT   22   21   21   23                                            
CONECT   23   19   19   22   25                                       
CONECT   24   25   25                                                 
CONECT   25   23   24   24   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   50   51                                       
CONECT   28   27   29   52   53                                       
CONECT   29   17   28   54                                            
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   13                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
