COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.732   2.531   5.972  1.00  0.00           C  
HETATM    2  C   UNL     1       1.592   1.545   5.707  1.00  0.00           C  
HETATM    3  C   UNL     1       0.475   2.252   4.937  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.647   1.281   4.677  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.669   1.071   5.462  1.00  0.00           N  
HETATM    6  N   UNL     1      -2.504   0.102   4.891  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.752  -0.406   5.466  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.949  -0.284   3.703  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.317  -1.207   2.697  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.337  -1.866   2.797  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.510  -1.339   1.621  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.367  -0.594   1.518  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.014   0.264   2.444  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.771   0.455   3.543  1.00  0.00           C  
HETATM   15  C   UNL     1       0.493  -0.762   0.331  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.077  -0.919  -0.933  1.00  0.00           C  
HETATM   17  C   UNL     1       0.732  -1.076  -2.038  1.00  0.00           C  
HETATM   18  C   UNL     1       2.110  -1.078  -1.899  1.00  0.00           C  
HETATM   19  C   UNL     1       2.687  -0.924  -0.654  1.00  0.00           C  
HETATM   20  C   UNL     1       1.887  -0.759   0.466  1.00  0.00           C  
HETATM   21  O   UNL     1       2.453  -0.607   1.690  1.00  0.00           O  
HETATM   22  C   UNL     1       3.869  -0.661   1.501  1.00  0.00           C  
HETATM   23  C   UNL     1       4.571  -0.495   2.850  1.00  0.00           C  
HETATM   24  S   UNL     1       0.010  -1.275  -3.633  1.00  0.00           S  
HETATM   25  O   UNL     1       0.996  -1.923  -4.424  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.307  -1.756  -3.403  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.170   0.235  -4.286  1.00  0.00           N  
HETATM   28  C   UNL     1       0.897   0.844  -5.096  1.00  0.00           C  
HETATM   29  C   UNL     1       0.276   1.378  -6.391  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.808   2.311  -6.067  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.340   2.801  -7.346  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.881   1.535  -5.435  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.405   1.009  -4.081  1.00  0.00           C  
HETATM   34  H   UNL     1       3.528   2.027   6.520  1.00  0.00           H  
HETATM   35  H   UNL     1       3.121   2.899   5.023  1.00  0.00           H  
HETATM   36  H   UNL     1       2.359   3.368   6.561  1.00  0.00           H  
HETATM   37  H   UNL     1       1.966   0.708   5.117  1.00  0.00           H  
HETATM   38  H   UNL     1       1.203   1.176   6.656  1.00  0.00           H  
HETATM   39  H   UNL     1       0.101   3.089   5.527  1.00  0.00           H  
HETATM   40  H   UNL     1       0.864   2.621   3.988  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.586   0.205   5.123  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.904  -1.438   5.149  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.694  -0.365   6.554  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.742  -1.966   0.918  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.151  -0.919  -1.045  1.00  0.00           H  
HETATM   46  H   UNL     1       2.736  -1.202  -2.770  1.00  0.00           H  
HETATM   47  H   UNL     1       3.762  -0.927  -0.554  1.00  0.00           H  
HETATM   48  H   UNL     1       4.141  -1.622   1.065  1.00  0.00           H  
HETATM   49  H   UNL     1       4.176   0.141   0.830  1.00  0.00           H  
HETATM   50  H   UNL     1       5.650  -0.536   2.705  1.00  0.00           H  
HETATM   51  H   UNL     1       4.299   0.465   3.286  1.00  0.00           H  
HETATM   52  H   UNL     1       4.263  -1.298   3.520  1.00  0.00           H  
HETATM   53  H   UNL     1       1.355   1.664  -4.543  1.00  0.00           H  
HETATM   54  H   UNL     1       1.651   0.094  -5.333  1.00  0.00           H  
HETATM   55  H   UNL     1       1.039   1.896  -6.972  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.121   0.547  -6.973  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.153   3.501  -7.158  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.548   3.304  -7.900  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.713   1.959  -7.930  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.754   2.172  -5.291  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.146   0.694  -6.075  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.172   0.369  -3.645  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.200   1.845  -3.413  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3   37   38                                       
CONECT    3    2    4   39   40                                       
CONECT    4    3    5    5   14                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    8                                            
CONECT    7    6   41   42   43                                       
CONECT    8    6    9   14   14                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   44                                            
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14                                            
CONECT   14    4    8    8   13                                       
CONECT   15   12   16   16   20                                       
CONECT   16   15   15   17   45                                       
CONECT   17   16   18   18   24                                       
CONECT   18   17   17   19   46                                       
CONECT   19   18   20   20   47                                       
CONECT   20   15   19   19   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   48   49                                       
CONECT   23   22   50   51   52                                       
CONECT   24   17   25   25   26                                       
CONECT   24   26   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28   33                                            
CONECT   28   27   29   53   54                                       
CONECT   29   28   30   55   56                                       
CONECT   30   29   31   32                                            
CONECT   31   30   57   58   59                                       
CONECT   32   30   33   60   61                                       
CONECT   33   27   32   62   63                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
