COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.904   6.236  -0.518  1.00  0.00           C  
HETATM    2  O   UNL     1       3.378   4.938  -0.237  1.00  0.00           O  
HETATM    3  C   UNL     1       4.318   4.049   0.370  1.00  0.00           C  
HETATM    4  C   UNL     1       5.516   3.859  -0.563  1.00  0.00           C  
HETATM    5  C   UNL     1       4.795   4.641   1.698  1.00  0.00           C  
HETATM    6  C   UNL     1       3.651   2.697   0.625  1.00  0.00           C  
HETATM    7  C   UNL     1       3.285   2.048  -0.712  1.00  0.00           C  
HETATM    8  N   UNL     1       2.646   0.753  -0.468  1.00  0.00           N  
HETATM    9  C   UNL     1       1.308   0.554  -0.306  1.00  0.00           C  
HETATM   10  C   UNL     1       1.125  -0.831  -0.095  1.00  0.00           C  
HETATM   11  C   UNL     1       2.456  -1.434  -0.144  1.00  0.00           C  
HETATM   12  N   UNL     1       2.756  -2.788   0.014  1.00  0.00           N  
HETATM   13  C   UNL     1       4.087  -3.210   0.045  1.00  0.00           C  
HETATM   14  C   UNL     1       4.651  -3.649   1.236  1.00  0.00           C  
HETATM   15  C   UNL     1       3.826  -3.671   2.497  1.00  0.00           C  
HETATM   16  C   UNL     1       5.967  -4.065   1.263  1.00  0.00           C  
HETATM   17  C   UNL     1       6.725  -4.045   0.106  1.00  0.00           C  
HETATM   18  C   UNL     1       6.167  -3.608  -1.081  1.00  0.00           C  
HETATM   19  C   UNL     1       4.849  -3.197  -1.117  1.00  0.00           C  
HETATM   20  C   UNL     1       4.240  -2.727  -2.413  1.00  0.00           C  
HETATM   21  N   UNL     1       3.313  -0.473  -0.370  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.170  -1.313   0.102  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.174  -0.456   0.084  1.00  0.00           N  
HETATM   24  N   UNL     1       0.239   1.346  -0.308  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.968   0.842  -0.117  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.057   1.697  -0.126  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.352   1.183   0.015  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.321   1.916   0.688  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.598   1.409   0.827  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.914   0.167   0.292  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.945  -0.566  -0.381  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.670  -0.057  -0.524  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.208  -0.347   0.433  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.323  -1.666  -0.203  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.726  -2.227   0.041  1.00  0.00           C  
HETATM   36  N   UNL     1      -9.724  -1.295  -0.501  1.00  0.00           N  
HETATM   37  C   UNL     1      -9.609   0.024   0.135  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.206   0.585  -0.109  1.00  0.00           C  
HETATM   39  H   UNL     1       4.748   6.146  -1.202  1.00  0.00           H  
HETATM   40  H   UNL     1       3.129   6.850  -0.978  1.00  0.00           H  
HETATM   41  H   UNL     1       4.235   6.703   0.409  1.00  0.00           H  
HETATM   42  H   UNL     1       5.992   4.823  -0.744  1.00  0.00           H  
HETATM   43  H   UNL     1       6.233   3.181  -0.100  1.00  0.00           H  
HETATM   44  H   UNL     1       5.176   3.438  -1.509  1.00  0.00           H  
HETATM   45  H   UNL     1       3.942   4.777   2.363  1.00  0.00           H  
HETATM   46  H   UNL     1       5.512   3.963   2.161  1.00  0.00           H  
HETATM   47  H   UNL     1       5.271   5.605   1.516  1.00  0.00           H  
HETATM   48  H   UNL     1       4.339   2.048   1.168  1.00  0.00           H  
HETATM   49  H   UNL     1       2.747   2.843   1.217  1.00  0.00           H  
HETATM   50  H   UNL     1       2.597   2.696  -1.254  1.00  0.00           H  
HETATM   51  H   UNL     1       4.189   1.901  -1.303  1.00  0.00           H  
HETATM   52  H   UNL     1       2.039  -3.436   0.102  1.00  0.00           H  
HETATM   53  H   UNL     1       3.329  -4.637   2.589  1.00  0.00           H  
HETATM   54  H   UNL     1       4.475  -3.514   3.359  1.00  0.00           H  
HETATM   55  H   UNL     1       3.078  -2.880   2.457  1.00  0.00           H  
HETATM   56  H   UNL     1       6.406  -4.406   2.189  1.00  0.00           H  
HETATM   57  H   UNL     1       7.754  -4.370   0.131  1.00  0.00           H  
HETATM   58  H   UNL     1       6.761  -3.592  -1.983  1.00  0.00           H  
HETATM   59  H   UNL     1       4.451  -1.666  -2.551  1.00  0.00           H  
HETATM   60  H   UNL     1       4.667  -3.293  -3.241  1.00  0.00           H  
HETATM   61  H   UNL     1       3.162  -2.882  -2.385  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.347  -2.366   0.266  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.923   2.652  -0.230  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.075   2.882   1.104  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.351   1.979   1.351  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.191  -1.532  -0.796  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.918  -0.625  -1.052  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.152  -1.569  -1.275  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.582  -2.342   0.225  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.823  -3.193  -0.454  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.887  -2.350   1.112  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.642  -1.221  -1.504  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.350   0.700  -0.293  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.781  -0.072   1.207  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.109   1.551   0.386  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.045   0.708  -1.180  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    5    6                                       
CONECT    4    3   42   43   44                                       
CONECT    5    3   45   46   47                                       
CONECT    6    3    7   48   49                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9   21                                            
CONECT    9    8   10   10   24                                       
CONECT   10    9    9   11   22                                       
CONECT   11   10   12   21   21                                       
CONECT   12   11   13   52                                            
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14   53   54   55                                       
CONECT   16   14   17   17   56                                       
CONECT   17   16   16   18   57                                       
CONECT   18   17   19   19   58                                       
CONECT   19   13   18   18   20                                       
CONECT   20   19   59   60   61                                       
CONECT   21    8   11   11                                            
CONECT   22   10   23   23   62                                       
CONECT   23   22   22   25                                            
CONECT   24    9   25   25                                            
CONECT   25   23   24   24   26                                       
CONECT   26   25   27   63                                            
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   64                                       
CONECT   29   28   30   30   65                                       
CONECT   30   29   29   31   33                                       
CONECT   31   30   32   32   66                                       
CONECT   32   27   31   31   67                                       
CONECT   33   30   34   38                                            
CONECT   34   33   35   68   69                                       
CONECT   35   34   36   70   71                                       
CONECT   36   35   37   72                                            
CONECT   37   36   38   73   74                                       
CONECT   38   33   37   75   76                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   12                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
