COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.808   2.984   1.792  1.00  0.00           C  
HETATM    2  C   UNL     1       5.395   1.895   0.931  1.00  0.00           C  
HETATM    3  C   UNL     1       6.742   1.898   0.638  1.00  0.00           C  
HETATM    4  C   UNL     1       7.285   0.889  -0.158  1.00  0.00           C  
HETATM    5  C   UNL     1       8.732   0.892  -0.472  1.00  0.00           C  
HETATM    6  O   UNL     1       9.200   0.029  -1.188  1.00  0.00           O  
HETATM    7  N   UNL     1       9.530   1.852   0.036  1.00  0.00           N  
HETATM    8  C   UNL     1       6.464  -0.122  -0.659  1.00  0.00           C  
HETATM    9  C   UNL     1       7.051  -1.211  -1.520  1.00  0.00           C  
HETATM   10  C   UNL     1       5.118  -0.125  -0.367  1.00  0.00           C  
HETATM   11  C   UNL     1       4.576   0.880   0.435  1.00  0.00           C  
HETATM   12  C   UNL     1       3.130   0.874   0.754  1.00  0.00           C  
HETATM   13  O   UNL     1       2.663   1.733   1.476  1.00  0.00           O  
HETATM   14  N   UNL     1       2.332  -0.086   0.245  1.00  0.00           N  
HETATM   15  C   UNL     1       0.902  -0.093   0.562  1.00  0.00           C  
HETATM   16  C   UNL     1       0.542  -1.404   1.266  1.00  0.00           C  
HETATM   17  C   UNL     1       0.093   0.038  -0.732  1.00  0.00           C  
HETATM   18  C   UNL     1       0.311  -1.222  -1.585  1.00  0.00           C  
HETATM   19  C   UNL     1       1.831  -1.503  -1.633  1.00  0.00           C  
HETATM   20  C   UNL     1       2.107  -2.392  -0.402  1.00  0.00           C  
HETATM   21  C   UNL     1       0.729  -2.567   0.278  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.250  -2.371  -0.825  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.506  -2.069  -0.325  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.952  -2.697   0.837  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.193  -2.396   1.328  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.265  -1.184  -0.956  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.465  -0.867  -0.518  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.978  -1.460   0.637  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.323  -1.104   1.127  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.759  -1.622   2.137  1.00  0.00           O  
HETATM   31  N   UNL     1      -6.068  -0.203   0.456  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.404   0.150   0.943  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.021   1.169   0.020  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.778   0.755  -1.060  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.344   1.690  -1.907  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.154   3.039  -1.672  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.399   3.453  -0.591  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.836   2.519   0.257  1.00  0.00           C  
HETATM   39  H   UNL     1       4.360   3.748   1.156  1.00  0.00           H  
HETATM   40  H   UNL     1       4.045   2.560   2.444  1.00  0.00           H  
HETATM   41  H   UNL     1       5.596   3.432   2.397  1.00  0.00           H  
HETATM   42  H   UNL     1       7.377   2.681   1.026  1.00  0.00           H  
HETATM   43  H   UNL     1       9.156   2.541   0.608  1.00  0.00           H  
HETATM   44  H   UNL     1      10.478   1.854  -0.169  1.00  0.00           H  
HETATM   45  H   UNL     1       7.503  -1.973  -0.885  1.00  0.00           H  
HETATM   46  H   UNL     1       6.263  -1.662  -2.123  1.00  0.00           H  
HETATM   47  H   UNL     1       7.812  -0.787  -2.175  1.00  0.00           H  
HETATM   48  H   UNL     1       4.483  -0.909  -0.754  1.00  0.00           H  
HETATM   49  H   UNL     1       2.705  -0.772  -0.330  1.00  0.00           H  
HETATM   50  H   UNL     1       1.195  -1.548   2.126  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.497  -1.369   1.595  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.965   0.139  -0.493  1.00  0.00           H  
HETATM   53  H   UNL     1       0.429   0.916  -1.285  1.00  0.00           H  
HETATM   54  H   UNL     1       0.629  -3.538   0.763  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.122  -1.124  -2.580  1.00  0.00           H  
HETATM   56  H   UNL     1       2.089  -2.034  -2.549  1.00  0.00           H  
HETATM   57  H   UNL     1       2.391  -0.572  -1.561  1.00  0.00           H  
HETATM   58  H   UNL     1       2.501  -3.359  -0.713  1.00  0.00           H  
HETATM   59  H   UNL     1       2.803  -1.897   0.274  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.323  -3.413   1.345  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.561  -2.869   2.227  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.058  -0.142  -1.056  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.720   0.210  -0.349  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.029  -0.742   0.969  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.326   0.569   1.946  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.926  -0.299  -1.243  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.249   2.842   1.104  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.934   1.366  -2.751  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.596   3.769  -2.334  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.250   4.507  -0.409  1.00  0.00           H  
HETATM   71  H   UNL     1       0.672   0.747   1.219  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   11   11                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   43   44                                            
CONECT    8    4    9   10   10                                       
CONECT    9    8   45   46   47                                       
CONECT   10    8    8   11   48                                       
CONECT   11    2    2   10   12                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   49                                            
CONECT   15   14   16   17   71                                       
CONECT   16   15   21   50   51                                       
CONECT   17   15   18   52   53                                       
CONECT   18   17   19   22   55                                       
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   16   20   22   54                                       
CONECT   22   18   21   23                                            
CONECT   23   22   24   26   26                                       
CONECT   24   23   25   25   60                                       
CONECT   25   24   24   28   61                                       
CONECT   26   23   23   27                                            
CONECT   27   26   28   28   62                                       
CONECT   28   25   27   27   29                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   63                                            
CONECT   32   31   33   64   65                                       
CONECT   33   32   34   38   38                                       
CONECT   34   33   35   35   66                                       
CONECT   35   34   34   36   68                                       
CONECT   36   35   37   37   69                                       
CONECT   37   36   36   38   70                                       
CONECT   38   33   33   37   67                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   21                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   38                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   15                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
