COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.295   1.389  11.328  1.00  0.00           C  
HETATM    2  C   UNL     1       2.445   0.083  10.900  1.00  0.00           C  
HETATM    3  C   UNL     1       2.396  -0.212   9.551  1.00  0.00           C  
HETATM    4  C   UNL     1       2.197   0.797   8.629  1.00  0.00           C  
HETATM    5  C   UNL     1       2.052   2.104   9.055  1.00  0.00           C  
HETATM    6  C   UNL     1       2.097   2.399  10.405  1.00  0.00           C  
HETATM    7  C   UNL     1       2.144   0.474   7.158  1.00  0.00           C  
HETATM    8  O   UNL     1       0.773   0.185   6.775  1.00  0.00           O  
HETATM    9  C   UNL     1       0.483  -0.130   5.499  1.00  0.00           C  
HETATM   10  O   UNL     1       1.368  -0.174   4.667  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.093  -0.821   3.774  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.628  -2.254   3.790  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.534  -3.202   4.286  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.110  -4.611   4.436  1.00  0.00           C  
HETATM   15  C   UNL     1       0.615  -3.226   3.277  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.132   0.096   3.185  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.896   0.695   3.913  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.213   0.253   1.848  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.106   1.186   1.305  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.788  -0.398   5.143  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.206   1.324  -0.031  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.028   2.084  -0.504  1.00  0.00           O  
HETATM   23  C   UNL     1       5.816  -0.824  -8.325  1.00  0.00           C  
HETATM   24  C   UNL     1       4.701  -0.876  -9.140  1.00  0.00           C  
HETATM   25  C   UNL     1       3.534  -0.242  -8.756  1.00  0.00           C  
HETATM   26  C   UNL     1       3.482   0.442  -7.557  1.00  0.00           C  
HETATM   27  C   UNL     1       4.599   0.498  -6.744  1.00  0.00           C  
HETATM   28  C   UNL     1       5.765  -0.138  -7.126  1.00  0.00           C  
HETATM   29  C   UNL     1       2.210   1.133  -7.138  1.00  0.00           C  
HETATM   30  O   UNL     1       1.390   0.214  -6.369  1.00  0.00           O  
HETATM   31  C   UNL     1       0.199   0.616  -5.888  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.189   1.748  -6.096  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.795   0.235  -4.542  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.982  -0.572  -5.072  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.129  -0.335  -6.577  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.245  -1.225  -7.127  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.475   1.133  -6.830  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.694   0.058  -3.049  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.952  -0.781  -2.587  1.00  0.00           O  
HETATM   40  N   UNL     1      -2.430   0.834  -2.228  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.394   0.619  -0.844  1.00  0.00           N  
HETATM   42  N   UNL     1      -0.561  -0.237  -5.174  1.00  0.00           N  
HETATM   43  H   UNL     1       2.333   1.620  12.382  1.00  0.00           H  
HETATM   44  H   UNL     1       2.600  -0.706  11.621  1.00  0.00           H  
HETATM   45  H   UNL     1       2.514  -1.233   9.217  1.00  0.00           H  
HETATM   46  H   UNL     1       1.897   2.893   8.335  1.00  0.00           H  
HETATM   47  H   UNL     1       1.979   3.419  10.739  1.00  0.00           H  
HETATM   48  H   UNL     1       2.769  -0.394   6.953  1.00  0.00           H  
HETATM   49  H   UNL     1       2.509   1.327   6.585  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.186  -0.778   3.171  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.928  -2.541   2.782  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.489  -2.313   4.456  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.164  -2.856   5.251  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.331  -5.286   4.790  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.930  -4.594   5.155  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.481  -4.957   3.471  1.00  0.00           H  
HETATM   57  H   UNL     1       0.231  -3.504   2.295  1.00  0.00           H  
HETATM   58  H   UNL     1       1.071  -2.237   3.223  1.00  0.00           H  
HETATM   59  H   UNL     1       1.362  -3.954   3.595  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.654  -0.280   1.263  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.652   1.733   1.891  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.502  -0.312   5.794  1.00  0.00           H  
HETATM   63  H   UNL     1       6.728  -1.320  -8.624  1.00  0.00           H  
HETATM   64  H   UNL     1       4.742  -1.412 -10.077  1.00  0.00           H  
HETATM   65  H   UNL     1       2.663  -0.282  -9.393  1.00  0.00           H  
HETATM   66  H   UNL     1       4.559   1.034  -5.807  1.00  0.00           H  
HETATM   67  H   UNL     1       6.636  -0.098  -6.488  1.00  0.00           H  
HETATM   68  H   UNL     1       1.663   1.455  -8.024  1.00  0.00           H  
HETATM   69  H   UNL     1       2.453   2.002  -6.526  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.942   1.290  -4.774  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.811  -1.633  -4.887  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.893  -0.257  -4.564  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.191  -0.578  -7.076  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.350  -1.056  -8.198  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.998  -2.271  -6.946  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.183  -0.982  -6.627  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.379   1.393  -6.279  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.652   1.763  -6.495  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.642   1.288  -7.896  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.983   1.540  -2.594  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.785  -0.037  -0.470  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.292  -1.164  -5.080  1.00  0.00           H  
CONECT    1    2    2    6   43                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   46                                       
CONECT    6    1    5    5   47                                       
CONECT    7    4    8   48   49                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   20                                       
CONECT   10    9    9                                                 
CONECT   11   12   16   20   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   14   15   53                                       
CONECT   14   13   54   55   56                                       
CONECT   15   13   57   58   59                                       
CONECT   16   11   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   60                                            
CONECT   19   18   21   61                                            
CONECT   20    9   11   62                                            
CONECT   21   19   22   22   41                                       
CONECT   22   21   21                                                 
CONECT   23   24   24   28   63                                       
CONECT   24   23   23   25   64                                       
CONECT   25   24   26   26   65                                       
CONECT   26   25   25   27   29                                       
CONECT   27   26   28   28   66                                       
CONECT   28   23   27   27   67                                       
CONECT   29   26   30   68   69                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   32   42                                       
CONECT   32   31   31                                                 
CONECT   33   34   38   42   70                                       
CONECT   34   33   35   71   72                                       
CONECT   35   34   36   37   73                                       
CONECT   36   35   74   75   76                                       
CONECT   37   35   77   78   79                                       
CONECT   38   33   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   80                                            
CONECT   41   21   40   81                                            
CONECT   42   31   33   82                                            
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
