COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.062   0.977  -1.212  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.059  -0.328  -0.536  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.853  -0.424   0.363  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.351   0.583   0.814  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.332  -0.472   0.300  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.531  -0.499  -0.611  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.997  -1.703  -1.106  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.170   0.680  -0.948  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.097  -1.727  -1.943  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.268   0.656  -1.788  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.733  -0.548  -2.283  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.231   0.945  -2.423  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.333  -1.630   0.665  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.165  -1.868   1.526  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.957  -1.172   0.954  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.054  -0.536  -0.074  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.925  -3.392   1.562  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.625  -3.885   0.268  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.845  -2.930   0.193  1.00  0.00           C  
HETATM   20  N   UNL     1       0.231  -1.257   1.585  1.00  0.00           N  
HETATM   21  C   UNL     1       1.406  -0.581   1.029  1.00  0.00           C  
HETATM   22  C   UNL     1       1.426   0.875   1.498  1.00  0.00           C  
HETATM   23  C   UNL     1       0.219   1.615   0.917  1.00  0.00           C  
HETATM   24  C   UNL     1       0.239   3.072   1.387  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.916   3.780   0.830  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.109   5.111   1.116  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.265   5.742   1.883  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.193   5.776   0.594  1.00  0.00           N  
HETATM   29  N   UNL     1       4.107  -0.201  -0.160  1.00  0.00           N  
HETATM   30  S   UNL     1       5.476  -1.750   1.276  1.00  0.00           S  
HETATM   31  C   UNL     1       3.942  -1.011   0.833  1.00  0.00           C  
HETATM   32  C   UNL     1       5.331  -0.059  -0.662  1.00  0.00           C  
HETATM   33  C   UNL     1       6.288  -0.848  -0.002  1.00  0.00           C  
HETATM   34  C   UNL     1       7.622  -0.820  -0.401  1.00  0.00           C  
HETATM   35  C   UNL     1       8.012  -0.007  -1.459  1.00  0.00           C  
HETATM   36  C   UNL     1       7.057   0.782  -2.119  1.00  0.00           C  
HETATM   37  C   UNL     1       5.757   0.761  -1.738  1.00  0.00           C  
HETATM   38  C   UNL     1       9.424   0.026  -1.886  1.00  0.00           C  
HETATM   39  O   UNL     1      10.248  -0.658  -1.312  1.00  0.00           O  
HETATM   40  O   UNL     1       9.799   0.815  -2.911  1.00  0.00           O  
HETATM   41  O   UNL     1       2.603  -2.057   2.426  1.00  0.00           O  
HETATM   42  C   UNL     1       2.656  -1.278   1.499  1.00  0.00           C  
HETATM   43  H   UNL     1      -4.762   1.709  -0.586  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.021  -1.123  -1.281  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.288  -1.400   0.871  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.414   0.372   0.985  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.500  -2.624  -0.840  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.809   1.620  -0.558  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.460  -2.668  -2.330  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.764   1.577  -2.054  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.592  -0.567  -2.937  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.318   1.896  -2.948  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.191   0.776  -2.145  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.569   0.138  -3.074  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.364  -1.498   2.532  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.859  -3.615   1.533  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.389  -3.835   2.443  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.975  -3.761  -0.599  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.947  -4.921   0.368  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.645  -3.281   0.845  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.200  -2.847  -0.834  1.00  0.00           H  
HETATM   62  H   UNL     1       0.308  -1.766   2.407  1.00  0.00           H  
HETATM   63  H   UNL     1       1.361  -0.611  -0.060  1.00  0.00           H  
HETATM   64  H   UNL     1       1.381   0.907   2.587  1.00  0.00           H  
HETATM   65  H   UNL     1       2.344   1.354   1.159  1.00  0.00           H  
HETATM   66  H   UNL     1       0.264   1.584  -0.172  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.699   1.137   1.257  1.00  0.00           H  
HETATM   68  H   UNL     1       0.195   3.103   2.475  1.00  0.00           H  
HETATM   69  H   UNL     1       1.158   3.550   1.047  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.544   3.310   0.259  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.401   6.681   2.085  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.821   5.306   0.023  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.330   6.715   0.796  1.00  0.00           H  
HETATM   74  H   UNL     1       8.352  -1.429   0.110  1.00  0.00           H  
HETATM   75  H   UNL     1       7.362   1.413  -2.941  1.00  0.00           H  
HETATM   76  H   UNL     1       5.038   1.375  -2.259  1.00  0.00           H  
HETATM   77  H   UNL     1      10.735   0.804  -3.155  1.00  0.00           H  
CONECT    1   12    2   43                                            
CONECT    2    1    3    5   44                                       
CONECT    3    2    4    4   13                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   45   46                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   47                                       
CONECT    8    6   10   10   48                                       
CONECT    9    7   11   11   49                                       
CONECT   10   11    8    8   50                                       
CONECT   11    9    9   10   51                                       
CONECT   12    1   52   53   54                                       
CONECT   13   14   19    3                                            
CONECT   14   13   15   17   55                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   13   18   60   61                                       
CONECT   20   21   62   15                                            
CONECT   21   20   22   42   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   68   69                                       
CONECT   25   24   26   70                                            
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   71                                            
CONECT   28   26   72   73                                            
CONECT   29   31   31   32                                            
CONECT   30   31   33                                                 
CONECT   31   29   29   30   42                                       
CONECT   32   29   33   33   37                                       
CONECT   33   30   32   32   34                                       
CONECT   34   33   35   35   74                                       
CONECT   35   34   34   36   38                                       
CONECT   36   35   37   37   75                                       
CONECT   37   32   36   36   76                                       
CONECT   38   35   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   77                                                 
CONECT   41   42   42                                                 
CONECT   42   21   31   41   41                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
