COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.566  -2.790   2.032  1.00  0.00           O  
HETATM    2  C   UNL     1       2.677  -3.045   0.853  1.00  0.00           C  
HETATM    3  C   UNL     1       1.442  -3.138  -0.013  1.00  0.00           C  
HETATM    4  C   UNL     1       1.788  -2.646  -1.421  1.00  0.00           C  
HETATM    5  C   UNL     1       2.389  -1.241  -1.336  1.00  0.00           C  
HETATM    6  C   UNL     1       2.803  -3.597  -2.059  1.00  0.00           C  
HETATM    7  N   UNL     1       0.405  -2.293   0.601  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.903  -2.614   0.454  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.624  -2.789   1.412  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.508  -2.693  -0.927  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.722  -1.284  -1.478  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.504  -0.540  -1.393  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.809  -0.555  -0.690  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.180  -1.149  -1.020  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.229  -0.507  -0.148  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.878   0.636  -0.576  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.840   1.225   0.224  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.152   0.671   1.451  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.503  -0.472   1.879  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.545  -1.064   1.077  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.798   0.870  -1.087  1.00  0.00           N  
HETATM   22  N   UNL     1       3.904  -3.220   0.297  1.00  0.00           N  
HETATM   23  C   UNL     1       4.978  -2.328   0.793  1.00  0.00           C  
HETATM   24  C   UNL     1       4.810  -0.950   0.152  1.00  0.00           C  
HETATM   25  C   UNL     1       5.643   0.075   0.924  1.00  0.00           C  
HETATM   26  C   UNL     1       5.801   1.346   0.088  1.00  0.00           C  
HETATM   27  C   UNL     1       5.166   2.527   0.821  1.00  0.00           C  
HETATM   28  C   UNL     1       4.547   3.485  -0.200  1.00  0.00           C  
HETATM   29  C   UNL     1       3.678   4.514   0.523  1.00  0.00           C  
HETATM   30  C   UNL     1       2.524   4.938  -0.389  1.00  0.00           C  
HETATM   31  C   UNL     1       1.195   4.747   0.343  1.00  0.00           C  
HETATM   32  C   UNL     1       0.301   3.803  -0.459  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.139   3.902   0.060  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.996   3.022  -0.705  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.060   1.727  -0.331  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.467   1.338   0.655  1.00  0.00           O  
HETATM   37  H   UNL     1       1.112  -4.173  -0.058  1.00  0.00           H  
HETATM   38  H   UNL     1       0.884  -2.618  -2.029  1.00  0.00           H  
HETATM   39  H   UNL     1       3.472  -1.315  -1.237  1.00  0.00           H  
HETATM   40  H   UNL     1       2.144  -0.686  -2.241  1.00  0.00           H  
HETATM   41  H   UNL     1       1.979  -0.722  -0.470  1.00  0.00           H  
HETATM   42  H   UNL     1       3.811  -3.302  -1.766  1.00  0.00           H  
HETATM   43  H   UNL     1       2.609  -4.615  -1.720  1.00  0.00           H  
HETATM   44  H   UNL     1       2.711  -3.552  -3.144  1.00  0.00           H  
HETATM   45  H   UNL     1       0.662  -1.492   1.110  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.851  -3.251  -1.588  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.464  -3.216  -0.865  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.025  -1.346  -2.529  1.00  0.00           H  
HETATM   49  H   UNL     1       0.199  -0.867  -1.972  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.619  -0.641   0.377  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.415  -0.962  -2.068  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.164  -2.223  -0.837  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.634   1.069  -1.535  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.347   2.118  -0.110  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.903   1.131   2.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.747  -0.905   2.838  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.038  -1.957   1.411  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.303   1.182  -1.860  1.00  0.00           H  
HETATM   59  H   UNL     1       4.081  -3.871  -0.395  1.00  0.00           H  
HETATM   60  H   UNL     1       4.906  -2.240   1.876  1.00  0.00           H  
HETATM   61  H   UNL     1       5.948  -2.744   0.522  1.00  0.00           H  
HETATM   62  H   UNL     1       5.150  -0.988  -0.883  1.00  0.00           H  
HETATM   63  H   UNL     1       3.760  -0.660   0.179  1.00  0.00           H  
HETATM   64  H   UNL     1       5.143   0.315   1.862  1.00  0.00           H  
HETATM   65  H   UNL     1       6.628  -0.344   1.136  1.00  0.00           H  
HETATM   66  H   UNL     1       6.862   1.544  -0.074  1.00  0.00           H  
HETATM   67  H   UNL     1       5.310   1.209  -0.876  1.00  0.00           H  
HETATM   68  H   UNL     1       4.392   2.165   1.497  1.00  0.00           H  
HETATM   69  H   UNL     1       5.932   3.053   1.391  1.00  0.00           H  
HETATM   70  H   UNL     1       5.340   3.999  -0.744  1.00  0.00           H  
HETATM   71  H   UNL     1       3.935   2.918  -0.901  1.00  0.00           H  
HETATM   72  H   UNL     1       3.279   4.073   1.436  1.00  0.00           H  
HETATM   73  H   UNL     1       4.280   5.385   0.777  1.00  0.00           H  
HETATM   74  H   UNL     1       2.644   5.988  -0.655  1.00  0.00           H  
HETATM   75  H   UNL     1       2.534   4.332  -1.294  1.00  0.00           H  
HETATM   76  H   UNL     1       1.376   4.321   1.330  1.00  0.00           H  
HETATM   77  H   UNL     1       0.697   5.711   0.450  1.00  0.00           H  
HETATM   78  H   UNL     1       0.324   4.079  -1.512  1.00  0.00           H  
HETATM   79  H   UNL     1       0.656   2.779  -0.346  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.163   3.622   1.112  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.486   4.931  -0.048  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   22    3                                       
CONECT    3    7    2    4   37                                       
CONECT    4    3    6    5   38                                       
CONECT    5    4   39   40   41                                       
CONECT    6    4   42   43   44                                       
CONECT    7    8    3   45                                            
CONECT    8   10    9    9    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   46   47                                       
CONECT   11   12   10   13   48                                       
CONECT   12   11   49                                                 
CONECT   13   21   11   14   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   20   14   16   16                                       
CONECT   16   15   15   17   53                                       
CONECT   17   18   18   16   54                                       
CONECT   18   19   17   17   55                                       
CONECT   19   20   20   18   56                                       
CONECT   20   19   19   15   57                                       
CONECT   21   35   13   58                                            
CONECT   22   23    2   59                                            
CONECT   23   24   22   60   61                                       
CONECT   24   25   23   62   63                                       
CONECT   25   26   24   64   65                                       
CONECT   26   27   25   66   67                                       
CONECT   27   28   26   68   69                                       
CONECT   28   27   29   70   71                                       
CONECT   29   30   28   72   73                                       
CONECT   30   31   29   74   75                                       
CONECT   31   32   30   76   77                                       
CONECT   32   31   33   78   79                                       
CONECT   33   32   34   80   81                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   36   21                                       
CONECT   36   35   35                                                 
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
