COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.320  -0.092   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       8.143   0.830   0.183  1.00  0.00           C  
HETATM    3  C   UNL     1       8.307   2.003   0.834  1.00  0.00           C  
HETATM    4  C   UNL     1       7.219   2.870   1.010  1.00  0.00           C  
HETATM    5  C   UNL     1       5.996   2.521   0.519  1.00  0.00           C  
HETATM    6  C   UNL     1       5.845   1.297  -0.157  1.00  0.00           C  
HETATM    7  N   UNL     1       4.651   0.955  -0.637  1.00  0.00           N  
HETATM    8  C   UNL     1       4.468  -0.189  -1.279  1.00  0.00           C  
HETATM    9  C   UNL     1       3.104  -0.544  -1.809  1.00  0.00           C  
HETATM   10  N   UNL     1       2.175  -0.721  -0.690  1.00  0.00           N  
HETATM   11  C   UNL     1       1.477   0.332  -0.231  1.00  0.00           C  
HETATM   12  O   UNL     1       1.638   1.413  -0.764  1.00  0.00           O  
HETATM   13  N   UNL     1       0.610   0.241   0.789  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.111   1.438   1.228  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.424   1.556   0.452  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.118   2.869   0.819  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.431   2.987   0.043  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.342   1.811   0.402  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.649   0.498   0.035  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.335   0.380   0.811  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.636   1.927  -0.363  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.812   2.858  -1.120  1.00  0.00           O  
HETATM   23  N   UNL     1      -6.597   0.996  -0.205  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.855   1.108  -0.948  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.752  -0.050  -0.595  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.636   0.058   0.463  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.459  -1.004   0.787  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.399  -2.174   0.053  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.516  -2.282  -1.005  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.696  -1.218  -1.332  1.00  0.00           C  
HETATM   31  C   UNL     1       0.390  -0.933   1.420  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.398  -1.007   2.343  1.00  0.00           O  
HETATM   33  C   UNL     1       1.128  -2.123   0.959  1.00  0.00           C  
HETATM   34  C   UNL     1       2.021  -1.976  -0.117  1.00  0.00           C  
HETATM   35  C   UNL     1       2.726  -3.076  -0.578  1.00  0.00           C  
HETATM   36  C   UNL     1       2.543  -4.307   0.019  1.00  0.00           C  
HETATM   37  C   UNL     1       1.659  -4.455   1.077  1.00  0.00           C  
HETATM   38  C   UNL     1       0.956  -3.369   1.556  1.00  0.00           C  
HETATM   39  C   UNL     1       5.528  -1.056  -1.462  1.00  0.00           C  
HETATM   40  C   UNL     1       6.786  -0.703  -0.961  1.00  0.00           C  
HETATM   41  O   UNL     1       7.743  -1.447  -1.107  1.00  0.00           O  
HETATM   42  N   UNL     1       6.926   0.475  -0.317  1.00  0.00           N  
HETATM   43  H   UNL     1      10.205   0.353   0.457  1.00  0.00           H  
HETATM   44  H   UNL     1       9.109  -1.049   0.477  1.00  0.00           H  
HETATM   45  H   UNL     1       9.499  -0.248  -1.063  1.00  0.00           H  
HETATM   46  H   UNL     1       9.278   2.273   1.221  1.00  0.00           H  
HETATM   47  H   UNL     1       7.349   3.806   1.531  1.00  0.00           H  
HETATM   48  H   UNL     1       5.150   3.180   0.649  1.00  0.00           H  
HETATM   49  H   UNL     1       2.745   0.257  -2.456  1.00  0.00           H  
HETATM   50  H   UNL     1       3.166  -1.471  -2.380  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.324   1.363   2.295  1.00  0.00           H  
HETATM   52  H   UNL     1       0.502   2.320   1.041  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.216   1.541  -0.618  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.325   2.884   1.889  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.469   3.707   0.564  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.925   3.922   0.305  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.223   2.972  -1.027  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.550   1.826   1.472  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.298  -0.340   0.290  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.441   0.483  -1.035  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.841  -0.556   0.549  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.543   0.395   1.881  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.457   0.251   0.401  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.349   2.044  -0.687  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.647   1.093  -2.018  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.683   0.972   1.036  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.149  -0.920   1.613  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.042  -3.004   0.307  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.469  -3.196  -1.578  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.009  -1.301  -2.161  1.00  0.00           H  
HETATM   71  H   UNL     1       3.417  -2.971  -1.402  1.00  0.00           H  
HETATM   72  H   UNL     1       3.093  -5.164  -0.341  1.00  0.00           H  
HETATM   73  H   UNL     1       1.526  -5.424   1.534  1.00  0.00           H  
HETATM   74  H   UNL     1       0.268  -3.487   2.380  1.00  0.00           H  
HETATM   75  H   UNL     1       5.388  -1.990  -1.985  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1    3    3   42                                       
CONECT    3    2    2    4   46                                       
CONECT    4    3    5    5   47                                       
CONECT    5    4    4    6   48                                       
CONECT    6    5    7    7   42                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9   39   39                                       
CONECT    9    8   10   49   50                                       
CONECT   10    9   11   34                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   31                                            
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   20   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19   21   58                                       
CONECT   19   18   20   59   60                                       
CONECT   20   19   15   61   62                                       
CONECT   21   18   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   63                                            
CONECT   24   23   25   64   65                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   66                                       
CONECT   27   26   28   28   67                                       
CONECT   28   27   27   29   68                                       
CONECT   29   28   30   30   69                                       
CONECT   30   29   29   25   70                                       
CONECT   31   13   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   38                                       
CONECT   34   33   33   10   35                                       
CONECT   35   34   36   36   71                                       
CONECT   36   35   35   37   72                                       
CONECT   37   36   38   38   73                                       
CONECT   38   37   37   33   74                                       
CONECT   39    8    8   40   75                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40    2    6                                            
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
