COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.874   1.217   0.605  1.00  0.00           C  
HETATM    2  O   UNL     1       6.767   0.341   0.381  1.00  0.00           O  
HETATM    3  C   UNL     1       5.653   0.885  -0.178  1.00  0.00           C  
HETATM    4  C   UNL     1       4.538   0.090  -0.425  1.00  0.00           C  
HETATM    5  O   UNL     1       4.560  -1.232  -0.107  1.00  0.00           O  
HETATM    6  C   UNL     1       5.624   2.232  -0.498  1.00  0.00           C  
HETATM    7  C   UNL     1       4.490   2.784  -1.066  1.00  0.00           C  
HETATM    8  C   UNL     1       3.385   1.993  -1.316  1.00  0.00           C  
HETATM    9  C   UNL     1       3.405   0.648  -0.995  1.00  0.00           C  
HETATM   10  C   UNL     1       2.198  -0.211  -1.269  1.00  0.00           C  
HETATM   11  N   UNL     1       1.337  -0.240  -0.079  1.00  0.00           N  
HETATM   12  C   UNL     1       1.925  -1.078   0.975  1.00  0.00           C  
HETATM   13  C   UNL     1       2.030  -2.500   0.487  1.00  0.00           C  
HETATM   14  O   UNL     1       2.457  -3.465   1.317  1.00  0.00           O  
HETATM   15  O   UNL     1       1.729  -2.772  -0.651  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.017  -0.696  -0.420  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.976  -0.341   0.718  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.313  -0.867   0.414  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.311  -2.336   0.404  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.561  -2.836  -0.273  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.830  -4.151  -0.299  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.321  -2.054  -0.792  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.311  -0.348   1.359  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.421   1.147   1.203  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.799   1.984   2.108  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.899   3.355   1.966  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.621   3.894   0.916  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.246   3.064   0.007  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.142   1.684   0.144  1.00  0.00           C  
HETATM   30  S   UNL     1      -4.932   0.621  -1.018  1.00  0.00           S  
HETATM   31  C   UNL     1      -5.717   1.783  -2.168  1.00  0.00           C  
HETATM   32  H   UNL     1       8.200   1.641  -0.344  1.00  0.00           H  
HETATM   33  H   UNL     1       7.571   2.020   1.277  1.00  0.00           H  
HETATM   34  H   UNL     1       8.695   0.658   1.054  1.00  0.00           H  
HETATM   35  H   UNL     1       4.349  -1.418   0.818  1.00  0.00           H  
HETATM   36  H   UNL     1       6.486   2.852  -0.303  1.00  0.00           H  
HETATM   37  H   UNL     1       4.469   3.834  -1.315  1.00  0.00           H  
HETATM   38  H   UNL     1       2.501   2.427  -1.760  1.00  0.00           H  
HETATM   39  H   UNL     1       1.641   0.203  -2.110  1.00  0.00           H  
HETATM   40  H   UNL     1       2.520  -1.224  -1.510  1.00  0.00           H  
HETATM   41  H   UNL     1       2.919  -0.705   1.224  1.00  0.00           H  
HETATM   42  H   UNL     1       1.292  -1.044   1.862  1.00  0.00           H  
HETATM   43  H   UNL     1       2.507  -4.361   0.959  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.345  -0.208  -1.337  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.011  -1.776  -0.566  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.616  -0.781   1.648  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.028   0.743   0.825  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.436  -2.695  -0.138  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.281  -2.706   1.429  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.644  -4.424  -0.745  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.279  -0.807   1.154  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.005  -0.586   2.377  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.235   1.566   2.929  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.411   4.008   2.675  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.697   4.966   0.808  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.810   3.486  -0.811  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.425   2.409  -1.625  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.954   2.412  -2.626  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.244   1.227  -2.943  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    3    1                                                 
CONECT    3    6    6    4    2                                       
CONECT    4    9    9    3    5                                       
CONECT    5    4   35                                                 
CONECT    6    7    3    3   36                                       
CONECT    7    8    8    6   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9    8   10    4    4                                       
CONECT   10    9   11   39   40                                       
CONECT   11   10   16   12                                            
CONECT   12   11   13   41   42                                       
CONECT   13   12   15   15   14                                       
CONECT   14   13   43                                                 
CONECT   15   13   13                                                 
CONECT   16   11   17   44   45                                       
CONECT   17   16   18   46   47                                       
CONECT   18   19   17   23                                            
CONECT   19   20   18   48   49                                       
CONECT   20   22   22   21   19                                       
CONECT   21   20   50                                                 
CONECT   22   20   20                                                 
CONECT   23   18   24   51   52                                       
CONECT   24   25   23   29   29                                       
CONECT   25   26   26   24   53                                       
CONECT   26   25   25   27   54                                       
CONECT   27   26   28   28   55                                       
CONECT   28   27   27   29   56                                       
CONECT   29   24   24   28   30                                       
CONECT   30   31   29                                                 
CONECT   31   30   57   58   59                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
