COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.192  -1.241  -0.555  1.00  0.00           C  
HETATM    2  C   UNL     1       4.613  -0.761   0.337  1.00  0.00           C  
HETATM    3  C   UNL     1       4.621  -0.825   2.717  1.00  0.00           C  
HETATM    4  C   UNL     1       5.718  -2.524   1.587  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.589   1.871   2.307  1.00  0.00           C  
HETATM    6  C   UNL     1       0.054   1.927   0.919  1.00  0.00           C  
HETATM    7  C   UNL     1       1.306   1.041   0.896  1.00  0.00           C  
HETATM    8  N   UNL     1       1.755   0.901  -0.496  1.00  0.00           N  
HETATM    9  C   UNL     1       0.806   0.400  -1.500  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.445   1.286  -1.477  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.895   1.426  -0.084  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.155   1.101   0.265  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.530   1.266   1.410  1.00  0.00           O  
HETATM   14  N   UNL     1      -3.000   0.592  -0.654  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.292   0.202  -0.278  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.914  -0.855  -0.927  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.851  -0.562   0.467  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.085  -1.124   0.638  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.330  -1.885  -0.560  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.011  -2.227  -1.024  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.227   0.493   1.113  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.950   0.873   0.744  1.00  0.00           C  
HETATM   23  S   UNL     1       3.304   1.301  -0.926  1.00  0.00           S  
HETATM   24  O   UNL     1       3.250   1.709  -2.286  1.00  0.00           O  
HETATM   25  O   UNL     1       3.808   2.127   0.114  1.00  0.00           O  
HETATM   26  C   UNL     1       4.255  -0.182  -0.889  1.00  0.00           C  
HETATM   27  C   UNL     1       4.238  -0.199   1.570  1.00  0.00           C  
HETATM   28  N   UNL     1       5.333  -1.944   2.700  1.00  0.00           N  
HETATM   29  C   UNL     1       5.375  -1.959   0.349  1.00  0.00           C  
HETATM   30  C   UNL     1       5.761  -2.541  -0.869  1.00  0.00           C  
HETATM   31  C   UNL     1       5.399  -1.949  -2.040  1.00  0.00           C  
HETATM   32  C   UNL     1       4.648  -0.775  -2.051  1.00  0.00           C  
HETATM   33  H   UNL     1       4.337  -0.399   3.668  1.00  0.00           H  
HETATM   34  H   UNL     1       6.296  -3.435   1.625  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.011   0.880   2.472  1.00  0.00           H  
HETATM   36  H   UNL     1       0.167   2.075   3.066  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.379   2.619   2.371  1.00  0.00           H  
HETATM   38  H   UNL     1       0.326   2.956   0.684  1.00  0.00           H  
HETATM   39  H   UNL     1       2.093   1.505   1.490  1.00  0.00           H  
HETATM   40  H   UNL     1       1.067   0.060   1.306  1.00  0.00           H  
HETATM   41  H   UNL     1       1.264   0.440  -2.489  1.00  0.00           H  
HETATM   42  H   UNL     1       0.531  -0.628  -1.263  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.206   2.268  -1.884  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.233   0.822  -2.070  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.713   0.497  -1.575  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.403  -1.377  -1.722  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.901  -2.784  -0.332  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.852  -1.277  -1.299  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.738   1.018   1.905  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.466   1.695   1.250  1.00  0.00           H  
HETATM   51  H   UNL     1       3.659   0.712   1.607  1.00  0.00           H  
HETATM   52  H   UNL     1       6.341  -3.452  -0.876  1.00  0.00           H  
HETATM   53  H   UNL     1       5.697  -2.397  -2.976  1.00  0.00           H  
HETATM   54  H   UNL     1       4.372  -0.329  -2.995  1.00  0.00           H  
CONECT    1   16   20   17   17                                       
CONECT    2   26   27   27   29                                       
CONECT    3   27   28   28   33                                       
CONECT    4   29   29   28   34                                       
CONECT    5    6   35   36   37                                       
CONECT    6    5    7   11   38                                       
CONECT    7    8    6   39   40                                       
CONECT    8   23    7    9                                            
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11    6   10   12                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   45                                            
CONECT   15   14   16   16   22                                       
CONECT   16   15   15    1   46                                       
CONECT   17    1    1   21   18                                       
CONECT   18   17   19                                                 
CONECT   19   20   18   47   48                                       
CONECT   20    1   19                                                 
CONECT   21   22   22   17   49                                       
CONECT   22   15   21   21   50                                       
CONECT   23   25   25   24   24                                       
CONECT   23    8   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   32   32    2                                       
CONECT   27    2    2    3   51                                       
CONECT   28    3    3    4                                            
CONECT   29    2   30    4    4                                       
CONECT   30   31   31   29   52                                       
CONECT   31   32   30   30   53                                       
CONECT   32   26   26   31   54                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
