COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.175   0.638   0.150  1.00  0.00           C  
HETATM    2  O   UNL     1       3.307   1.269   1.181  1.00  0.00           O  
HETATM    3  C   UNL     1       4.347  -0.013  -0.473  1.00  0.00           C  
HETATM    4  C   UNL     1       5.606   0.099   0.117  1.00  0.00           C  
HETATM    5  C   UNL     1       6.698  -0.519  -0.469  1.00  0.00           C  
HETATM    6  C   UNL     1       6.541  -1.237  -1.647  1.00  0.00           C  
HETATM    7  C   UNL     1       5.295  -1.344  -2.236  1.00  0.00           C  
HETATM    8  C   UNL     1       4.199  -0.738  -1.657  1.00  0.00           C  
HETATM    9  O   UNL     1       7.925  -0.417   0.106  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.013   4.033   0.086  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.877   0.265   0.195  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.669   0.590  -0.994  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.701   1.663  -0.641  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.608   1.914  -1.848  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.981   2.960  -0.267  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.675   1.041   0.510  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.476   0.447  -0.232  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.920   4.284  -1.121  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.665   0.596  -1.640  1.00  0.00           O  
HETATM   20  C   UNL     1       0.799   1.178   0.192  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.641   2.987  -1.495  1.00  0.00           C  
HETATM   22  N   UNL     1       1.961   0.533  -0.425  1.00  0.00           N  
HETATM   23  C   UNL     1       0.725   2.637  -0.262  1.00  0.00           C  
HETATM   24  C   UNL     1       3.080   3.453  -0.492  1.00  0.00           C  
HETATM   25  C   UNL     1       4.179   4.141  -0.012  1.00  0.00           C  
HETATM   26  C   UNL     1       4.121   4.763   1.221  1.00  0.00           C  
HETATM   27  C   UNL     1       2.964   4.697   1.974  1.00  0.00           C  
HETATM   28  C   UNL     1       1.865   4.009   1.495  1.00  0.00           C  
HETATM   29  C   UNL     1       1.923   3.387   0.261  1.00  0.00           C  
HETATM   30  C   UNL     1       0.548  -5.961  -0.137  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.589  -5.823  -0.707  1.00  0.00           N  
HETATM   32  S   UNL     1       0.854  -4.693   0.964  1.00  0.00           S  
HETATM   33  C   UNL     1      -1.335  -4.754  -0.372  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.699  -3.954   0.584  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.317  -2.799   1.058  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.559  -2.441   0.585  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.196  -3.230  -0.363  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.606  -4.361  -0.839  1.00  0.00           C  
HETATM   39  S   UNL     1      -3.341  -0.980   1.184  1.00  0.00           S  
HETATM   40  O   UNL     1      -4.736  -1.158   0.977  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.772  -0.714   2.458  1.00  0.00           O  
HETATM   42  H   UNL     1       5.728   0.663   1.030  1.00  0.00           H  
HETATM   43  H   UNL     1       7.395  -1.714  -2.104  1.00  0.00           H  
HETATM   44  H   UNL     1       5.178  -1.905  -3.151  1.00  0.00           H  
HETATM   45  H   UNL     1       3.226  -0.824  -2.119  1.00  0.00           H  
HETATM   46  H   UNL     1       8.439   0.345  -0.196  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.615   3.695   0.929  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.500   4.957   0.352  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.010   0.963  -1.778  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.181  -0.306  -1.345  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.303   1.325   0.202  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.006   2.252  -2.691  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.121   0.990  -2.115  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.379   3.298  -1.110  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.335   2.782   0.592  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.819   2.076   0.198  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.492   1.007   1.584  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.386  -0.612   0.013  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.656   5.048  -0.870  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.318   4.622  -1.964  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.753   1.515  -1.930  1.00  0.00           H  
HETATM   62  H   UNL     1       0.896   1.140   1.277  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.287   3.165  -2.355  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.242   2.649  -0.652  1.00  0.00           H  
HETATM   65  H   UNL     1       1.855   0.030  -1.248  1.00  0.00           H  
HETATM   66  H   UNL     1       0.718   2.679  -1.351  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.186   3.093   0.126  1.00  0.00           H  
HETATM   68  H   UNL     1       3.124   2.971  -1.457  1.00  0.00           H  
HETATM   69  H   UNL     1       5.083   4.192  -0.600  1.00  0.00           H  
HETATM   70  H   UNL     1       4.980   5.299   1.597  1.00  0.00           H  
HETATM   71  H   UNL     1       2.918   5.182   2.938  1.00  0.00           H  
HETATM   72  H   UNL     1       0.961   3.958   2.083  1.00  0.00           H  
HETATM   73  H   UNL     1       1.227  -6.780  -0.324  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.822  -2.185   1.796  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.171  -2.942  -0.729  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.116  -4.963  -1.577  1.00  0.00           H  
CONECT    1   22    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    8    8    4                                       
CONECT    4    3    5    5   42                                       
CONECT    5    6    4    4    9                                       
CONECT    6    7    7    5   43                                       
CONECT    7    8    6    6   44                                       
CONECT    8    3    3    7   45                                       
CONECT    9    5   46                                                 
CONECT   10   15   18   47   48                                       
CONECT   11   39   12   16                                            
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   15   51                                       
CONECT   14   13   21   52   53                                       
CONECT   15   10   13   54   55                                       
CONECT   16   11   17   56   57                                       
CONECT   17   16   19   20   58                                       
CONECT   18   10   21   59   60                                       
CONECT   19   17   61                                                 
CONECT   20   17   22   23   62                                       
CONECT   21   14   18   63   64                                       
CONECT   22   20    1   65                                            
CONECT   23   20   29   66   67                                       
CONECT   24   25   25   29   68                                       
CONECT   25   24   24   26   69                                       
CONECT   26   25   27   27   70                                       
CONECT   27   26   26   28   71                                       
CONECT   28   27   29   29   72                                       
CONECT   29   23   24   28   28                                       
CONECT   30   31   31   32   73                                       
CONECT   31   30   30   33                                            
CONECT   32   30   34                                                 
CONECT   33   31   34   34   38                                       
CONECT   34   32   33   33   35                                       
CONECT   35   34   36   36   74                                       
CONECT   36   35   35   37   39                                       
CONECT   37   36   38   38   75                                       
CONECT   38   33   37   37   76                                       
CONECT   39   36   40   40   41                                       
CONECT   39   41   11                                                 
CONECT   40   39   39                                                 
CONECT   41   39   39                                                 
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
