COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.127  -0.974  -0.129  1.00  0.00           O  
HETATM    2  C   UNL     1       3.609   0.062  -0.495  1.00  0.00           C  
HETATM    3  C   UNL     1       4.430   1.117  -1.126  1.00  0.00           C  
HETATM    4  C   UNL     1       5.799   0.924  -1.308  1.00  0.00           C  
HETATM    5  C   UNL     1       6.562   1.916  -1.901  1.00  0.00           C  
HETATM    6  O   UNL     1       7.896   1.731  -2.080  1.00  0.00           O  
HETATM    7  C   UNL     1       5.964   3.100  -2.312  1.00  0.00           C  
HETATM    8  C   UNL     1       4.607   3.293  -2.131  1.00  0.00           C  
HETATM    9  C   UNL     1       3.836   2.309  -1.547  1.00  0.00           C  
HETATM   10  N   UNL     1       2.284   0.248  -0.331  1.00  0.00           N  
HETATM   11  C   UNL     1       1.469  -0.800   0.289  1.00  0.00           C  
HETATM   12  C   UNL     1       1.529  -0.660   1.812  1.00  0.00           C  
HETATM   13  C   UNL     1       2.937  -0.917   2.285  1.00  0.00           C  
HETATM   14  C   UNL     1       3.834   0.130   2.384  1.00  0.00           C  
HETATM   15  C   UNL     1       5.126  -0.106   2.818  1.00  0.00           C  
HETATM   16  C   UNL     1       5.519  -1.388   3.153  1.00  0.00           C  
HETATM   17  C   UNL     1       4.621  -2.434   3.055  1.00  0.00           C  
HETATM   18  C   UNL     1       3.328  -2.198   2.625  1.00  0.00           C  
HETATM   19  C   UNL     1       0.019  -0.663  -0.179  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.522   0.570   0.301  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.807  -1.829   0.369  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.161  -1.772  -0.187  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.373  -1.970  -1.623  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.027  -3.413  -1.995  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.108  -3.582  -3.513  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.643  -4.988  -3.896  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.019  -4.365  -1.322  1.00  0.00           C  
HETATM   28  S   UNL     1      -3.453  -1.483   0.809  1.00  0.00           S  
HETATM   29  O   UNL     1      -4.593  -2.018   0.151  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.050  -1.879   2.113  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.685   0.262   0.868  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.030   1.016   1.832  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.198   2.366   1.893  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.043   3.023   0.975  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.700   2.257   0.006  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.512   0.877  -0.045  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.341   4.332   0.865  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.146   4.685  -0.065  1.00  0.00           C  
HETATM   39  S   UNL     1      -5.670   3.345  -0.983  1.00  0.00           S  
HETATM   40  H   UNL     1       6.263   0.002  -0.988  1.00  0.00           H  
HETATM   41  H   UNL     1       8.127   1.323  -2.926  1.00  0.00           H  
HETATM   42  H   UNL     1       6.561   3.872  -2.773  1.00  0.00           H  
HETATM   43  H   UNL     1       4.148   4.216  -2.453  1.00  0.00           H  
HETATM   44  H   UNL     1       2.776   2.461  -1.412  1.00  0.00           H  
HETATM   45  H   UNL     1       1.870   1.075  -0.623  1.00  0.00           H  
HETATM   46  H   UNL     1       1.853  -1.778   0.000  1.00  0.00           H  
HETATM   47  H   UNL     1       1.229   0.349   2.095  1.00  0.00           H  
HETATM   48  H   UNL     1       0.854  -1.382   2.270  1.00  0.00           H  
HETATM   49  H   UNL     1       3.527   1.132   2.122  1.00  0.00           H  
HETATM   50  H   UNL     1       5.827   0.711   2.895  1.00  0.00           H  
HETATM   51  H   UNL     1       6.528  -1.572   3.491  1.00  0.00           H  
HETATM   52  H   UNL     1       4.928  -3.436   3.316  1.00  0.00           H  
HETATM   53  H   UNL     1       2.626  -3.015   2.552  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.014  -0.674  -1.268  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.524   0.649   1.265  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.337  -2.771   0.085  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.856  -1.761   1.456  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.416  -1.772  -1.867  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.733  -1.288  -2.182  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.017  -3.644  -1.657  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.138  -3.439  -3.840  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.468  -2.844  -3.996  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.613  -5.132  -3.569  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.283  -5.727  -3.414  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.701  -5.109  -4.978  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.961  -4.245  -0.241  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.029  -4.135  -1.660  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.773  -5.393  -1.587  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.380   0.527   2.542  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.681   2.938   2.649  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.018   0.290  -0.797  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.455   5.704  -0.247  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    9    9    4                                       
CONECT    4    3    5    5   40                                       
CONECT    5    4    4    7    6                                       
CONECT    6    5   41                                                 
CONECT    7    5    8    8   42                                       
CONECT    8    7    7    9   43                                       
CONECT    9    3    3    8   44                                       
CONECT   10    2   11   45                                            
CONECT   11   10   12   19   46                                       
CONECT   12   11   13   47   48                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   49                                       
CONECT   15   14   16   16   50                                       
CONECT   16   15   15   17   51                                       
CONECT   17   16   18   18   52                                       
CONECT   18   13   17   17   53                                       
CONECT   19   11   21   20   54                                       
CONECT   20   19   55                                                 
CONECT   21   19   22   56   57                                       
CONECT   22   21   28   23                                            
CONECT   23   22   24   58   59                                       
CONECT   24   23   27   25   60                                       
CONECT   25   24   26   61   62                                       
CONECT   26   25   63   64   65                                       
CONECT   27   24   66   67   68                                       
CONECT   28   22   30   30   29                                       
CONECT   28   29   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   36   36   32                                       
CONECT   32   31   33   33   69                                       
CONECT   33   32   32   34   70                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   39                                       
CONECT   36   31   31   35   71                                       
CONECT   37   34   38   38                                            
CONECT   38   37   37   39   72                                       
CONECT   39   35   38                                                 
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
