COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.124   4.269  -0.102  1.00  0.00           C  
HETATM    2  C   UNL     1       4.703   0.599   1.387  1.00  0.00           C  
HETATM    3  C   UNL     1       7.840  -1.465   1.216  1.00  0.00           C  
HETATM    4  C   UNL     1       8.487  -2.053  -0.012  1.00  0.00           C  
HETATM    5  C   UNL     1       8.131  -3.317  -0.442  1.00  0.00           C  
HETATM    6  C   UNL     1       9.674  -3.131  -2.264  1.00  0.00           C  
HETATM    7  C   UNL     1       9.432  -1.325  -0.711  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.227  -0.615  -0.649  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.758  -0.308  -0.517  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.253   0.819  -1.059  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.895   1.102  -0.937  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.024   0.358  -0.333  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.731   0.833  -0.333  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.551   1.965  -0.939  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.336   2.628  -1.062  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.362   3.926  -0.341  1.00  0.00           C  
HETATM   17  C   UNL     1       0.859   2.913  -0.142  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.245   1.866  -0.401  1.00  0.00           C  
HETATM   19  O   UNL     1       1.500   2.659   1.110  1.00  0.00           O  
HETATM   20  C   UNL     1       2.633   1.914   1.082  1.00  0.00           C  
HETATM   21  N   UNL     1       3.191   1.409   0.023  1.00  0.00           N  
HETATM   22  N   UNL     1       4.247   0.738   0.179  1.00  0.00           N  
HETATM   23  N   UNL     1       5.851  -0.097   1.756  1.00  0.00           N  
HETATM   24  C   UNL     1       6.598  -0.711   0.817  1.00  0.00           C  
HETATM   25  C   UNL     1       8.725  -3.856  -1.568  1.00  0.00           C  
HETATM   26  C   UNL     1      10.026  -1.865  -1.837  1.00  0.00           C  
HETATM   27  O   UNL     1       6.270  -0.656  -0.350  1.00  0.00           O  
HETATM   28  S   UNL     1       3.612   1.457   2.477  1.00  0.00           S  
HETATM   29  S   UNL     1      -4.089   2.526  -1.586  1.00  0.00           S  
HETATM   30  O   UNL     1      -6.029  -1.074   0.077  1.00  0.00           O  
HETATM   31  C   UNL     1      -8.531  -1.921   0.039  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.451  -3.108  -0.666  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.730  -4.306  -0.036  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.088  -4.318   1.299  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.168  -3.131   2.004  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.885  -1.933   1.375  1.00  0.00           C  
HETATM   37  H   UNL     1       0.493   4.923  -0.891  1.00  0.00           H  
HETATM   38  H   UNL     1       0.253   4.741   0.872  1.00  0.00           H  
HETATM   39  H   UNL     1       7.574  -2.266   1.905  1.00  0.00           H  
HETATM   40  H   UNL     1       8.538  -0.783   1.703  1.00  0.00           H  
HETATM   41  H   UNL     1       7.390  -3.884   0.101  1.00  0.00           H  
HETATM   42  H   UNL     1      10.137  -3.552  -3.144  1.00  0.00           H  
HETATM   43  H   UNL     1       9.707  -0.335  -0.377  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.808   0.183  -0.186  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.490  -0.690  -1.704  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.836   1.432  -1.533  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.886   3.823   0.609  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.835   4.693  -0.955  1.00  0.00           H  
HETATM   49  H   UNL     1       1.590   2.903  -0.950  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.594   1.440   0.539  1.00  0.00           H  
HETATM   51  H   UNL     1       0.124   1.080  -1.061  1.00  0.00           H  
HETATM   52  H   UNL     1       6.114  -0.141   2.689  1.00  0.00           H  
HETATM   53  H   UNL     1       8.447  -4.845  -1.904  1.00  0.00           H  
HETATM   54  H   UNL     1      10.767  -1.298  -2.381  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.171  -3.099  -1.709  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.668  -5.233  -0.586  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.307  -5.254   1.792  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.448  -3.140   3.047  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.943  -1.007   1.926  1.00  0.00           H  
CONECT    1   16   17   37   38                                       
CONECT    2   22   22   23   28                                       
CONECT    3    4   24   39   40                                       
CONECT    4    5    3    7    7                                       
CONECT    5   25   25    4   41                                       
CONECT    6   25   26   26   42                                       
CONECT    7    4    4   26   43                                       
CONECT    8    9   31   44   45                                       
CONECT    9   30   30    8   10                                       
CONECT   10    9   11   46                                            
CONECT   11   12   12   10   29                                       
CONECT   12   13   11   11                                            
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   29                                       
CONECT   15   14   16   18                                            
CONECT   16   15    1   47   48                                       
CONECT   17    1   18   19   49                                       
CONECT   18   15   17   50   51                                       
CONECT   19   17   20                                                 
CONECT   20   21   21   19   28                                       
CONECT   21   22   20   20                                            
CONECT   22   21    2    2                                            
CONECT   23    2   24   52                                            
CONECT   24   23    3   27   27                                       
CONECT   25    5    5    6   53                                       
CONECT   26    6    6    7   54                                       
CONECT   27   24   24                                                 
CONECT   28    2   20                                                 
CONECT   29   11   14                                                 
CONECT   30    9    9                                                 
CONECT   31   32    8   36   36                                       
CONECT   32   33   33   31   55                                       
CONECT   33   32   32   34   56                                       
CONECT   34   33   35   35   57                                       
CONECT   35   34   34   36   58                                       
CONECT   36   31   31   35   59                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
