COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.013  -1.260   0.818  1.00  0.00           C  
HETATM    2  C   UNL     1       4.253  -2.707  -0.211  1.00  0.00           C  
HETATM    3  C   UNL     1       6.071  -3.845  -1.104  1.00  0.00           C  
HETATM    4  C   UNL     1       5.747   1.141   1.459  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.219  -0.424   0.670  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.183  -0.917   1.764  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.386   0.388   1.753  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.339   1.135   0.813  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.919   1.207  -1.671  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.892   0.034   0.407  1.00  0.00           C  
HETATM   11  C   UNL     1       1.495   0.336   0.022  1.00  0.00           C  
HETATM   12  C   UNL     1       1.609   1.468  -1.001  1.00  0.00           C  
HETATM   13  C   UNL     1       2.700   1.129  -2.018  1.00  0.00           C  
HETATM   14  C   UNL     1       2.267  -0.085  -2.844  1.00  0.00           C  
HETATM   15  C   UNL     1       2.921   2.325  -2.947  1.00  0.00           C  
HETATM   16  C   UNL     1       2.707   0.345   0.918  1.00  0.00           C  
HETATM   17  C   UNL     1       5.038  -0.211   1.359  1.00  0.00           C  
HETATM   18  C   UNL     1       5.343  -2.635   0.836  1.00  0.00           C  
HETATM   19  C   UNL     1       6.348  -3.731   0.412  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.316  -0.317   0.922  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.855  -0.534  -1.027  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.899  -1.292  -0.099  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.275   0.641   0.327  1.00  0.00           C  
HETATM   24  N   UNL     1       0.289   0.527   0.831  1.00  0.00           N  
HETATM   25  N   UNL     1       3.893  -0.096   0.453  1.00  0.00           N  
HETATM   26  N   UNL     1       4.684  -3.398  -1.280  1.00  0.00           N  
HETATM   27  N   UNL     1      -7.829   0.199  -0.206  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.973  -0.494  -0.685  1.00  0.00           O  
HETATM   29  O   UNL     1       3.150  -2.216  -0.099  1.00  0.00           O  
HETATM   30  O   UNL     1       4.874   2.092   2.071  1.00  0.00           O  
HETATM   31  O   UNL     1       2.616   0.750   2.057  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.981   0.128   1.192  1.00  0.00           O  
HETATM   33  O   UNL     1     -10.027   0.291   0.832  1.00  0.00           O  
HETATM   34  O   UNL     1      -9.554  -1.340  -0.966  1.00  0.00           O  
HETATM   35  S   UNL     1      -9.454  -0.029  -0.428  1.00  0.00           S  
HETATM   36  H   UNL     1       6.291  -1.004  -0.204  1.00  0.00           H  
HETATM   37  H   UNL     1       6.905  -1.282   1.443  1.00  0.00           H  
HETATM   38  H   UNL     1       6.748  -3.203  -1.666  1.00  0.00           H  
HETATM   39  H   UNL     1       6.177  -4.880  -1.426  1.00  0.00           H  
HETATM   40  H   UNL     1       6.649   1.035   2.061  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.056  -1.150  -0.126  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.229  -2.003   1.849  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.042  -0.423   2.725  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.912   1.098   2.431  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.944  -0.350   2.329  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.182   1.527   1.384  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.808   1.956   0.331  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.695   2.205  -1.293  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.355   1.031  -2.587  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.986   1.129  -1.880  1.00  0.00           H  
HETATM   51  H   UNL     1       1.436  -0.620  -0.499  1.00  0.00           H  
HETATM   52  H   UNL     1       0.656   1.589  -1.516  1.00  0.00           H  
HETATM   53  H   UNL     1       1.865   2.396  -0.489  1.00  0.00           H  
HETATM   54  H   UNL     1       3.627   0.900  -1.494  1.00  0.00           H  
HETATM   55  H   UNL     1       3.056  -0.342  -3.552  1.00  0.00           H  
HETATM   56  H   UNL     1       2.086  -0.930  -2.180  1.00  0.00           H  
HETATM   57  H   UNL     1       1.354   0.153  -3.388  1.00  0.00           H  
HETATM   58  H   UNL     1       3.229   3.189  -2.359  1.00  0.00           H  
HETATM   59  H   UNL     1       3.698   2.083  -3.672  1.00  0.00           H  
HETATM   60  H   UNL     1       1.993   2.554  -3.471  1.00  0.00           H  
HETATM   61  H   UNL     1       4.691  -0.513   2.347  1.00  0.00           H  
HETATM   62  H   UNL     1       4.937  -2.849   1.824  1.00  0.00           H  
HETATM   63  H   UNL     1       6.135  -4.673   0.919  1.00  0.00           H  
HETATM   64  H   UNL     1       7.374  -3.413   0.598  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.290   0.169  -1.639  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.377  -1.242  -1.671  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.092  -1.730  -0.686  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.443  -2.081   0.420  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.161   1.567   0.891  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.395   0.807  -0.743  1.00  0.00           H  
HETATM   71  H   UNL     1       0.340   1.009   1.671  1.00  0.00           H  
HETATM   72  H   UNL     1       3.987  -0.338  -0.482  1.00  0.00           H  
HETATM   73  H   UNL     1       4.148  -3.577  -2.069  1.00  0.00           H  
HETATM   74  H   UNL     1       4.049   2.238   1.588  1.00  0.00           H  
HETATM   75  S   UNL     1       6.194   1.713  -0.204  1.00  0.00           S  
HETATM   76  O   UNL     1       7.208   0.888  -0.760  1.00  0.00           O  
HETATM   77  O   UNL     1       5.029   2.044  -0.947  1.00  0.00           O  
HETATM   78  O   UNL     1       6.884   3.050   0.028  1.00  0.00           O  
HETATM   79  H   UNL     1       7.184   3.484  -0.783  1.00  0.00           H  
CONECT    1   17   18   36   37                                       
CONECT    2   18   29   29   26                                       
CONECT    3   19   26   38   39                                       
CONECT    4   30   17   40   75                                       
CONECT    5   23    6   32   41                                       
CONECT    6   20    5   42   43                                       
CONECT    7    8   20   44   45                                       
CONECT    8    7   27   46   47                                       
CONECT    9   35   48   49   50                                       
CONECT   10   24   32   28   28                                       
CONECT   11   12   24   16   51                                       
CONECT   12   13   11   52   53                                       
CONECT   13   14   15   12   54                                       
CONECT   14   13   55   56   57                                       
CONECT   15   13   58   59   60                                       
CONECT   16   11   31   31   25                                       
CONECT   17   25    4    1   61                                       
CONECT   18    1   19    2   62                                       
CONECT   19   18    3   63   64                                       
CONECT   20    7   23   22    6                                       
CONECT   21   27   22   65   66                                       
CONECT   22   20   21   67   68                                       
CONECT   23   20    5   69   70                                       
CONECT   24   11   10   71                                            
CONECT   25   16   17   72                                            
CONECT   26    2    3   73                                            
CONECT   27    8   35   21                                            
CONECT   28   10   10                                                 
CONECT   29    2    2                                                 
CONECT   30    4   74                                                 
CONECT   31   16   16                                                 
CONECT   32    5   10                                                 
CONECT   33   35   35                                                 
CONECT   34   35   35                                                 
CONECT   35    9   33   33   27                                       
CONECT   35   34   34                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   30                                                      
CONECT   75    4   76   76   77                                       
CONECT   75   77   78                                                 
CONECT   76   75   75                                                 
CONECT   77   75   75                                                 
CONECT   78   75   79                                                 
CONECT   79   78                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
