COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.851  -2.179   1.029  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.171  -2.250   1.482  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.768  -1.120   1.198  1.00  0.00           N  
HETATM    4  N   UNL     1      -4.850  -0.284   0.552  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.670  -0.956   0.457  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.100   1.014   0.086  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.587   1.425  -1.137  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.836   2.705  -1.594  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.595   3.576  -0.834  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.107   3.170   0.385  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.866   1.890   0.844  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.801  -3.428   2.178  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.495  -0.482  -0.119  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.058  -1.354  -1.218  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.811  -0.756  -1.874  1.00  0.00           C  
HETATM   16  N   UNL     1       0.249  -0.612  -0.866  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.189   0.259   0.233  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.436  -0.338   0.889  1.00  0.00           C  
HETATM   19  C   UNL     1       1.489  -0.111  -1.474  1.00  0.00           C  
HETATM   20  C   UNL     1       2.013  -1.099  -2.538  1.00  0.00           C  
HETATM   21  N   UNL     1       3.481  -1.139  -2.411  1.00  0.00           N  
HETATM   22  C   UNL     1       3.887  -0.207  -1.337  1.00  0.00           C  
HETATM   23  C   UNL     1       2.637  -0.080  -0.431  1.00  0.00           C  
HETATM   24  C   UNL     1       5.044  -0.776  -0.558  1.00  0.00           C  
HETATM   25  N   UNL     1       5.807   0.034   0.203  1.00  0.00           N  
HETATM   26  C   UNL     1       6.937  -0.459   0.976  1.00  0.00           C  
HETATM   27  C   UNL     1       7.646   0.647   1.790  1.00  0.00           C  
HETATM   28  S   UNL     1       6.304   1.900   1.942  1.00  0.00           S  
HETATM   29  C   UNL     1       5.562   1.485   0.306  1.00  0.00           C  
HETATM   30  O   UNL     1       5.289  -1.963  -0.615  1.00  0.00           O  
HETATM   31  H   UNL     1      -3.105  -2.955   1.120  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.994   0.745  -1.731  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.437   3.025  -2.545  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.788   4.576  -1.193  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.699   3.852   0.976  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.270   1.571   1.794  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.662  -3.331   3.255  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.867  -3.458   1.951  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.331  -4.349   1.833  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.824  -2.343  -0.826  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.855  -1.434  -1.957  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.468  -1.416  -2.671  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.052   0.222  -2.290  1.00  0.00           H  
HETATM   44  H   UNL     1       0.608   0.340   0.973  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.423   1.249  -0.159  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.779   0.321   1.686  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.194  -1.317   1.305  1.00  0.00           H  
HETATM   48  H   UNL     1       1.332   0.876  -1.908  1.00  0.00           H  
HETATM   49  H   UNL     1       1.598  -2.091  -2.359  1.00  0.00           H  
HETATM   50  H   UNL     1       1.736  -0.752  -3.533  1.00  0.00           H  
HETATM   51  H   UNL     1       3.802  -2.076  -2.216  1.00  0.00           H  
HETATM   52  H   UNL     1       4.151   0.763  -1.757  1.00  0.00           H  
HETATM   53  H   UNL     1       2.644   0.864   0.114  1.00  0.00           H  
HETATM   54  H   UNL     1       2.564  -0.924   0.255  1.00  0.00           H  
HETATM   55  H   UNL     1       6.583  -1.227   1.663  1.00  0.00           H  
HETATM   56  H   UNL     1       7.659  -0.909   0.294  1.00  0.00           H  
HETATM   57  H   UNL     1       7.950   0.279   2.770  1.00  0.00           H  
HETATM   58  H   UNL     1       8.498   1.051   1.243  1.00  0.00           H  
HETATM   59  H   UNL     1       6.068   2.021  -0.497  1.00  0.00           H  
HETATM   60  H   UNL     1       4.493   1.698   0.301  1.00  0.00           H  
CONECT    1    2    5    5   31                                       
CONECT    2    1    3    3   12                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    6                                            
CONECT    5    1    1    4   13                                       
CONECT    6    4    7    7   11                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   11   11   35                                       
CONECT   11    6   10   10   36                                       
CONECT   12    2   37   38   39                                       
CONECT   13    5   14   18                                            
CONECT   14   13   15   40   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   15   17   19                                            
CONECT   17   16   18   44   45                                       
CONECT   18   13   17   46   47                                       
CONECT   19   16   20   23   48                                       
CONECT   20   19   21   49   50                                       
CONECT   21   20   22   51                                            
CONECT   22   21   23   24   52                                       
CONECT   23   19   22   53   54                                       
CONECT   24   22   25   30   30                                       
CONECT   25   24   26   29                                            
CONECT   26   25   27   55   56                                       
CONECT   27   26   28   57   58                                       
CONECT   28   27   29                                                 
CONECT   29   25   28   59   60                                       
CONECT   30   24   24                                                 
CONECT   31    1                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
