COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.205  -1.611  -0.406  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.886  -0.565   0.123  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.831   0.244   0.638  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.210  -0.197   0.526  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.162   1.014   0.482  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.350   2.306   0.750  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.380   3.140   1.554  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.079   2.188   2.369  1.00  0.00           O  
HETATM    9  C   UNL     1      -7.011   0.884   1.778  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.234   0.031   2.647  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.635  -0.970   1.794  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.587  -0.217   0.199  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.558  -1.100  -0.357  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.395  -0.817  -1.851  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.667  -1.182  -2.573  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.839  -2.462  -3.065  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.007  -2.799  -3.723  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.004  -1.855  -3.888  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.832  -0.575  -3.395  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.663  -0.238  -2.739  1.00  0.00           C  
HETATM   21  C   UNL     1       0.771  -0.848   0.358  1.00  0.00           C  
HETATM   22  O   UNL     1       1.219   0.479   0.075  1.00  0.00           O  
HETATM   23  C   UNL     1       1.813  -1.855  -0.133  1.00  0.00           C  
HETATM   24  N   UNL     1       3.048  -1.695   0.638  1.00  0.00           N  
HETATM   25  C   UNL     1       3.066  -2.020   2.067  1.00  0.00           C  
HETATM   26  C   UNL     1       3.322  -3.518   2.245  1.00  0.00           C  
HETATM   27  C   UNL     1       4.722  -3.862   1.734  1.00  0.00           C  
HETATM   28  C   UNL     1       3.217  -3.880   3.728  1.00  0.00           C  
HETATM   29  S   UNL     1       4.423  -1.147  -0.104  1.00  0.00           S  
HETATM   30  O   UNL     1       5.499  -1.439   0.779  1.00  0.00           O  
HETATM   31  O   UNL     1       4.369  -1.614  -1.444  1.00  0.00           O  
HETATM   32  C   UNL     1       4.308   0.609  -0.184  1.00  0.00           C  
HETATM   33  C   UNL     1       4.793   1.380   0.859  1.00  0.00           C  
HETATM   34  C   UNL     1       4.706   2.755   0.802  1.00  0.00           C  
HETATM   35  C   UNL     1       3.739   1.213  -1.291  1.00  0.00           C  
HETATM   36  C   UNL     1       3.647   2.587  -1.360  1.00  0.00           C  
HETATM   37  C   UNL     1       4.128   3.370  -0.310  1.00  0.00           C  
HETATM   38  C   UNL     1       4.032   4.844  -0.377  1.00  0.00           C  
HETATM   39  O   UNL     1       4.457   5.523   0.537  1.00  0.00           O  
HETATM   40  N   UNL     1       3.473   5.434  -1.452  1.00  0.00           N  
HETATM   41  H   UNL     1      -5.340  -0.817  -0.361  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.753   1.060  -0.432  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.463   2.096   1.347  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.084   2.803  -0.183  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.868   3.871   2.180  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.071   3.641   0.877  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.002   0.480   1.574  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.364  -1.741   1.543  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.765  -1.412   2.280  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.332   0.618   0.621  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.856  -2.139  -0.214  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.185   0.242  -1.999  1.00  0.00           H  
HETATM   53  H   UNL     1       0.430  -1.410  -2.246  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.061  -3.200  -2.936  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.142  -3.799  -4.108  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.916  -2.117  -4.403  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.610   0.163  -3.525  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.530   0.761  -2.350  1.00  0.00           H  
HETATM   59  H   UNL     1       0.633  -0.964   1.433  1.00  0.00           H  
HETATM   60  H   UNL     1       1.288   0.678  -0.868  1.00  0.00           H  
HETATM   61  H   UNL     1       1.431  -2.867  -0.002  1.00  0.00           H  
HETATM   62  H   UNL     1       2.019  -1.678  -1.189  1.00  0.00           H  
HETATM   63  H   UNL     1       3.859  -1.456   2.558  1.00  0.00           H  
HETATM   64  H   UNL     1       2.106  -1.760   2.511  1.00  0.00           H  
HETATM   65  H   UNL     1       2.580  -4.083   1.680  1.00  0.00           H  
HETATM   66  H   UNL     1       5.464  -3.297   2.299  1.00  0.00           H  
HETATM   67  H   UNL     1       4.904  -4.929   1.861  1.00  0.00           H  
HETATM   68  H   UNL     1       4.797  -3.604   0.678  1.00  0.00           H  
HETATM   69  H   UNL     1       3.958  -3.315   4.293  1.00  0.00           H  
HETATM   70  H   UNL     1       2.219  -3.636   4.093  1.00  0.00           H  
HETATM   71  H   UNL     1       3.399  -4.947   3.855  1.00  0.00           H  
HETATM   72  H   UNL     1       5.239   0.903   1.719  1.00  0.00           H  
HETATM   73  H   UNL     1       5.084   3.355   1.617  1.00  0.00           H  
HETATM   74  H   UNL     1       3.366   0.606  -2.103  1.00  0.00           H  
HETATM   75  H   UNL     1       3.203   3.057  -2.226  1.00  0.00           H  
HETATM   76  H   UNL     1       3.134   4.892  -2.182  1.00  0.00           H  
HETATM   77  H   UNL     1       3.410   6.401  -1.496  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   12                                       
CONECT    3    4    2                                                 
CONECT    4   11    5    3   41                                       
CONECT    5    9    4    6   42                                       
CONECT    6    5    7   43   44                                       
CONECT    7    8    6   45   46                                       
CONECT    8    9    7                                                 
CONECT    9   10    8    5   47                                       
CONECT   10    9   11                                                 
CONECT   11   10    4   48   49                                       
CONECT   12    2   13   50                                            
CONECT   13   12   14   21   51                                       
CONECT   14   15   13   52   53                                       
CONECT   15   16   16   20   14                                       
CONECT   16   17   15   15   54                                       
CONECT   17   18   18   16   55                                       
CONECT   18   17   17   19   56                                       
CONECT   19   18   20   20   57                                       
CONECT   20   19   19   15   58                                       
CONECT   21   13   22   23   59                                       
CONECT   22   21   60                                                 
CONECT   23   21   24   61   62                                       
CONECT   24   23   25   29                                            
CONECT   25   26   24   63   64                                       
CONECT   26   28   27   25   65                                       
CONECT   27   26   66   67   68                                       
CONECT   28   26   69   70   71                                       
CONECT   29   24   31   31   30                                       
CONECT   29   30   32                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   33   33   35                                       
CONECT   33   32   32   34   72                                       
CONECT   34   33   37   37   73                                       
CONECT   35   32   36   36   74                                       
CONECT   36   35   35   37   75                                       
CONECT   37   34   34   36   38                                       
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   76   77                                            
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
