COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.949   0.592   0.131  1.00  0.00           N  
HETATM    2  C   UNL     1       2.796  -0.250   0.462  1.00  0.00           C  
HETATM    3  C   UNL     1       2.815  -0.576   1.957  1.00  0.00           C  
HETATM    4  C   UNL     1       4.026  -1.416   2.272  1.00  0.00           C  
HETATM    5  C   UNL     1       3.947  -2.795   2.202  1.00  0.00           C  
HETATM    6  C   UNL     1       5.056  -3.567   2.486  1.00  0.00           C  
HETATM    7  C   UNL     1       6.252  -2.958   2.840  1.00  0.00           C  
HETATM    8  O   UNL     1       7.345  -3.715   3.119  1.00  0.00           O  
HETATM    9  C   UNL     1       6.329  -1.574   2.909  1.00  0.00           C  
HETATM   10  C   UNL     1       5.216  -0.807   2.625  1.00  0.00           C  
HETATM   11  C   UNL     1       1.524   0.485   0.125  1.00  0.00           C  
HETATM   12  O   UNL     1       1.576   1.601  -0.346  1.00  0.00           O  
HETATM   13  N   UNL     1       0.330  -0.099   0.346  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.907   0.615   0.018  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.110  -0.263   0.364  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.401   0.527   0.137  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.173   1.448   0.998  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.756   0.263   0.338  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.606  -0.354  -0.530  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.838   0.117  -0.791  1.00  0.00           O  
HETATM   21  C   UNL     1      -8.320   1.236  -0.212  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.526   1.947   0.705  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.159  -1.585  -1.208  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.562  -2.613  -0.472  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.144  -3.764  -1.112  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.318  -3.898  -2.489  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.910  -2.878  -3.219  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.335  -1.729  -2.587  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.564  -4.766  -0.399  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.906  -5.030  -3.116  1.00  0.00           O  
HETATM   31  C   UNL     1      -9.596   1.692  -0.505  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.077   2.844   0.098  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.291   3.553   1.001  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.020   3.109   1.312  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.518  -0.252   0.569  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.439   2.029   1.781  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.251   3.800   2.193  1.00  0.00           O  
HETATM   38  O   UNL     1     -11.327   3.284  -0.195  1.00  0.00           O  
HETATM   39  C   UNL     1       5.140   0.025  -0.145  1.00  0.00           C  
HETATM   40  C   UNL     1       6.290   0.865  -0.476  1.00  0.00           C  
HETATM   41  C   UNL     1       7.483   0.297  -0.753  1.00  0.00           C  
HETATM   42  O   UNL     1       5.258  -1.186  -0.120  1.00  0.00           O  
HETATM   43  C   UNL     1       8.640   1.141  -1.085  1.00  0.00           C  
HETATM   44  C   UNL     1       8.506   2.533  -1.115  1.00  0.00           C  
HETATM   45  C   UNL     1       9.592   3.323  -1.427  1.00  0.00           C  
HETATM   46  C   UNL     1      10.819   2.740  -1.712  1.00  0.00           C  
HETATM   47  C   UNL     1      10.961   1.352  -1.683  1.00  0.00           C  
HETATM   48  C   UNL     1       9.879   0.554  -1.367  1.00  0.00           C  
HETATM   49  O   UNL     1      11.886   3.523  -2.019  1.00  0.00           O  
HETATM   50  O   UNL     1      12.165   0.786  -1.963  1.00  0.00           O  
HETATM   51  H   UNL     1       3.854   1.557   0.106  1.00  0.00           H  
HETATM   52  H   UNL     1       2.845  -1.175  -0.112  1.00  0.00           H  
HETATM   53  H   UNL     1       2.856   0.350   2.530  1.00  0.00           H  
HETATM   54  H   UNL     1       1.912  -1.126   2.220  1.00  0.00           H  
HETATM   55  H   UNL     1       3.016  -3.268   1.926  1.00  0.00           H  
HETATM   56  H   UNL     1       4.994  -4.643   2.432  1.00  0.00           H  
HETATM   57  H   UNL     1       7.898  -3.905   2.349  1.00  0.00           H  
HETATM   58  H   UNL     1       7.258  -1.098   3.185  1.00  0.00           H  
HETATM   59  H   UNL     1       5.277   0.271   2.674  1.00  0.00           H  
HETATM   60  H   UNL     1       0.289  -0.992   0.723  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.955   1.541   0.592  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.920   0.848  -1.047  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.109  -1.148  -0.273  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.049  -0.568   1.409  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.363   1.455   0.707  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.505   0.756  -0.923  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.427  -2.507   0.595  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.043  -2.986  -4.286  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.799  -0.938  -3.157  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.189  -5.419  -0.057  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.580  -5.722  -3.162  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.216   1.151  -1.204  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.678   4.449   1.464  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.359   3.520   3.112  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.016   2.928   0.384  1.00  0.00           H  
HETATM   76  H   UNL     1       6.186   1.939  -0.499  1.00  0.00           H  
HETATM   77  H   UNL     1       7.588  -0.778  -0.730  1.00  0.00           H  
HETATM   78  H   UNL     1       7.553   2.990  -0.895  1.00  0.00           H  
HETATM   79  H   UNL     1       9.488   4.397  -1.450  1.00  0.00           H  
HETATM   80  H   UNL     1       9.987  -0.520  -1.345  1.00  0.00           H  
HETATM   81  H   UNL     1      12.412   3.789  -1.252  1.00  0.00           H  
HETATM   82  H   UNL     1      12.730   0.661  -1.189  1.00  0.00           H  
CONECT    1   39    2   51                                            
CONECT    2    1   11    3   52                                       
CONECT    3    4    2   53   54                                       
CONECT    4    5    5   10    3                                       
CONECT    5    6    4    4   55                                       
CONECT    6    7    7    5   56                                       
CONECT    7    8    6    6    9                                       
CONECT    8    7   57                                                 
CONECT    9    7   10   10   58                                       
CONECT   10    9    9    4   59                                       
CONECT   11   13    2   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   60                                            
CONECT   14   15   13   61   62                                       
CONECT   15   16   14   63   64                                       
CONECT   16   35   15   65   66                                       
CONECT   17   22   18   36   36                                       
CONECT   18   19   19   17   35                                       
CONECT   19   20   23   18   18                                       
CONECT   20   21   19                                                 
CONECT   21   31   20   22   22                                       
CONECT   22   21   21   34   17                                       
CONECT   23   24   19   28   28                                       
CONECT   24   25   25   23   67                                       
CONECT   25   29   24   24   26                                       
CONECT   26   25   30   27   27                                       
CONECT   27   26   26   28   68                                       
CONECT   28   23   23   27   69                                       
CONECT   29   25   70                                                 
CONECT   30   26   71                                                 
CONECT   31   32   32   21   72                                       
CONECT   32   38   31   31   33                                       
CONECT   33   32   34   34   73                                       
CONECT   34   33   33   22   37                                       
CONECT   35   18   16                                                 
CONECT   36   17   17                                                 
CONECT   37   34   74                                                 
CONECT   38   32   75                                                 
CONECT   39   40    1   42   42                                       
CONECT   40   41   41   39   76                                       
CONECT   41   43   40   40   77                                       
CONECT   42   39   39                                                 
CONECT   43   44   44   48   41                                       
CONECT   44   45   43   43   78                                       
CONECT   45   46   46   44   79                                       
CONECT   46   49   45   45   47                                       
CONECT   47   46   50   48   48                                       
CONECT   48   47   47   43   80                                       
CONECT   49   46   81                                                 
CONECT   50   47   82                                                 
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   48                                                      
CONECT   81   49                                                      
CONECT   82   50                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
