COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      14.040  -0.683   0.273  1.00  0.00           C  
HETATM    2  C   UNL     1      12.692  -0.204  -0.201  1.00  0.00           C  
HETATM    3  C   UNL     1      11.602  -0.395   0.565  1.00  0.00           C  
HETATM    4  C   UNL     1      10.311  -0.336  -0.013  1.00  0.00           C  
HETATM    5  C   UNL     1       9.202  -0.167   0.792  1.00  0.00           C  
HETATM    6  C   UNL     1       4.429   0.915   1.337  1.00  0.00           C  
HETATM    7  C   UNL     1      15.610  -2.753   0.025  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.811  -0.560  -0.407  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.669  -3.248   0.789  1.00  0.00           O  
HETATM   10  P   UNL     1     -10.342  -2.996   0.479  1.00  0.00           P  
HETATM   11  O   UNL     1     -10.546  -2.386   2.074  1.00  0.00           O  
HETATM   12  O   UNL     1      -9.943  -1.926  -0.807  1.00  0.00           O  
HETATM   13  C   UNL     1      -9.457   0.296  -1.624  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.135  -0.189  -2.221  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.565   0.176  -2.672  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.317   1.758  -1.195  1.00  0.00           C  
HETATM   17  O   UNL     1     -10.526   2.189  -0.569  1.00  0.00           O  
HETATM   18  C   UNL     1      -8.173   1.889  -0.223  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.395   2.110   0.949  1.00  0.00           O  
HETATM   20  N   UNL     1      -6.903   1.762  -0.655  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.797   1.775   0.306  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.471   1.614  -0.440  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.333   1.628   0.548  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.561   1.754   1.733  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.063   1.500   0.116  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.958   1.514   1.077  1.00  0.00           C  
HETATM   27  C   UNL     1       0.368   1.353   0.331  1.00  0.00           C  
HETATM   28  S   UNL     1       1.738   1.370   1.520  1.00  0.00           S  
HETATM   29  C   UNL     1       3.199   1.171   0.464  1.00  0.00           C  
HETATM   30  O   UNL     1       3.398   2.360  -0.303  1.00  0.00           O  
HETATM   31  C   UNL     1       5.618   0.628   0.458  1.00  0.00           C  
HETATM   32  O   UNL     1       5.494   0.628  -0.753  1.00  0.00           O  
HETATM   33  C   UNL     1       6.854   0.364   1.028  1.00  0.00           C  
HETATM   34  C   UNL     1       7.953   0.099   0.216  1.00  0.00           C  
HETATM   35  O   UNL     1       7.815   0.099  -1.131  1.00  0.00           O  
HETATM   36  O   UNL     1      10.165  -0.447  -1.353  1.00  0.00           O  
HETATM   37  O   UNL     1      12.578   0.415  -1.395  1.00  0.00           O  
HETATM   38  C   UNL     1      14.318  -2.049  -0.299  1.00  0.00           C  
HETATM   39  O   UNL     1      13.505  -2.579  -1.019  1.00  0.00           O  
HETATM   40  H   UNL     1      14.810   0.014  -0.058  1.00  0.00           H  
HETATM   41  H   UNL     1      14.043  -0.738   1.362  1.00  0.00           H  
HETATM   42  H   UNL     1      11.713  -0.592   1.622  1.00  0.00           H  
HETATM   43  H   UNL     1       9.297  -0.240   1.865  1.00  0.00           H  
HETATM   44  H   UNL     1       4.631   1.796   1.946  1.00  0.00           H  
HETATM   45  H   UNL     1       4.242   0.060   1.987  1.00  0.00           H  
HETATM   46  H   UNL     1      15.683  -2.900   1.103  1.00  0.00           H  
HETATM   47  H   UNL     1      15.632  -3.721  -0.475  1.00  0.00           H  
HETATM   48  H   UNL     1      16.450  -2.148  -0.317  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.753  -0.214   0.019  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.022  -0.474   0.340  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.182  -3.618   0.041  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.452  -2.117   2.279  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.266  -1.191  -2.629  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.825   0.489  -3.017  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.371  -0.210  -1.444  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.487   0.601  -2.276  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.273   0.716  -3.573  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.723  -0.875  -2.914  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.121   2.377  -2.072  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.763   1.682   0.220  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.721   1.661  -1.603  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.797   2.722   0.846  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.919   0.953   1.012  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.471   0.668  -0.981  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.349   2.436  -1.146  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.881   1.399  -0.832  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.958   2.460   1.617  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.079   0.692   1.782  1.00  0.00           H  
HETATM   69  H   UNL     1       0.368   0.407  -0.210  1.00  0.00           H  
HETATM   70  H   UNL     1       0.490   2.175  -0.375  1.00  0.00           H  
HETATM   71  H   UNL     1       3.049   0.326  -0.208  1.00  0.00           H  
HETATM   72  H   UNL     1       3.538   3.153   0.231  1.00  0.00           H  
HETATM   73  H   UNL     1       6.964   0.365   2.103  1.00  0.00           H  
HETATM   74  H   UNL     1       8.649   0.001  -1.611  1.00  0.00           H  
HETATM   75  H   UNL     1      10.985  -0.651  -1.823  1.00  0.00           H  
HETATM   76  H   UNL     1      11.700   0.783  -1.564  1.00  0.00           H  
HETATM   77  O   UNL     1     -10.537  -4.677   0.169  1.00  0.00           O  
HETATM   78  H   UNL     1     -10.761  -5.198   0.953  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.772  -2.781   0.214  1.00  0.00           H  
CONECT    1    2   38   40   41                                       
CONECT    2   37    3    3    1                                       
CONECT    3    4    2    2   42                                       
CONECT    4   36    5    5    3                                       
CONECT    5   34    4    4   43                                       
CONECT    6   29   31   44   45                                       
CONECT    7   38   46   47   48                                       
CONECT    8   12   13   49   50                                       
CONECT    9   10   51                                                 
CONECT   10    9   11   12   77                                       
CONECT   10   79                                                      
CONECT   11   10   52                                                 
CONECT   12   10    8                                                 
CONECT   13    8   16   15   14                                       
CONECT   14   13   53   54   55                                       
CONECT   15   13   56   57   58                                       
CONECT   16   17   13   18   59                                       
CONECT   17   16   60                                                 
CONECT   18   16   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   61                                            
CONECT   21   20   22   62   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   66                                            
CONECT   26   25   27   67   68                                       
CONECT   27   28   26   69   70                                       
CONECT   28   29   27                                                 
CONECT   29   30   28    6   71                                       
CONECT   30   29   72                                                 
CONECT   31   32   32    6   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   73                                       
CONECT   34   35   33   33    5                                       
CONECT   35   34   74                                                 
CONECT   36    4   75                                                 
CONECT   37    2   76                                                 
CONECT   38   39   39    1    7                                       
CONECT   39   38   38                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   33                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   10   78                                                 
CONECT   78   77                                                      
CONECT   79   10                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
