COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.785  -2.683  -0.860  1.00  0.00           C  
HETATM    2  C   UNL     1       9.507  -3.843  -0.652  1.00  0.00           C  
HETATM    3  C   UNL     1      10.199  -4.024   0.531  1.00  0.00           C  
HETATM    4  C   UNL     1      10.168  -3.045   1.506  1.00  0.00           C  
HETATM    5  C   UNL     1       9.446  -1.885   1.298  1.00  0.00           C  
HETATM    6  C   UNL     1       8.753  -1.704   0.116  1.00  0.00           C  
HETATM    7  C   UNL     1       7.964  -0.440  -0.110  1.00  0.00           C  
HETATM    8  O   UNL     1       6.629  -0.620   0.365  1.00  0.00           O  
HETATM    9  C   UNL     1       5.793   0.526   0.197  1.00  0.00           C  
HETATM   10  C   UNL     1       4.394   0.221   0.738  1.00  0.00           C  
HETATM   11  C   UNL     1       3.499   1.448   0.558  1.00  0.00           C  
HETATM   12  O   UNL     1       3.314   1.709  -0.858  1.00  0.00           O  
HETATM   13  C   UNL     1       4.202   2.525  -1.448  1.00  0.00           C  
HETATM   14  O   UNL     1       5.104   3.004  -0.803  1.00  0.00           O  
HETATM   15  C   UNL     1       4.075   2.842  -2.916  1.00  0.00           C  
HETATM   16  C   UNL     1       5.205   3.785  -3.334  1.00  0.00           C  
HETATM   17  C   UNL     1       2.139   1.188   1.210  1.00  0.00           C  
HETATM   18  C   UNL     1       2.334   0.912   2.703  1.00  0.00           C  
HETATM   19  C   UNL     1       1.244   2.415   1.031  1.00  0.00           C  
HETATM   20  O   UNL     1       1.783   3.511   1.772  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.164   2.098   1.540  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.019   3.366   1.497  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.798   1.025   0.653  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.154   0.619   1.234  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.778  -0.438   0.360  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.199  -0.827  -0.626  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.126  -1.011   0.716  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.946  -2.154   1.718  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.804  -1.543  -0.548  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.937  -0.468  -1.515  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.912  -0.809  -2.813  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.783  -1.968  -3.130  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.044   0.253  -3.874  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.191  -2.084  -0.193  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.809  -2.750  -1.424  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.086  -0.931   0.266  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.431  -1.486   0.738  1.00  0.00           C  
HETATM   38  N   UNL     1      -9.288  -0.382   1.178  1.00  0.00           N  
HETATM   39  C   UNL     1      -9.257   0.058   2.574  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.105   0.228   0.296  1.00  0.00           C  
HETATM   41  O   UNL     1     -10.815   1.142   0.660  1.00  0.00           O  
HETATM   42  H   UNL     1       8.248  -2.539  -1.786  1.00  0.00           H  
HETATM   43  H   UNL     1       9.532  -4.608  -1.415  1.00  0.00           H  
HETATM   44  H   UNL     1      10.764  -4.930   0.693  1.00  0.00           H  
HETATM   45  H   UNL     1      10.708  -3.186   2.431  1.00  0.00           H  
HETATM   46  H   UNL     1       9.421  -1.120   2.060  1.00  0.00           H  
HETATM   47  H   UNL     1       8.434   0.383   0.429  1.00  0.00           H  
HETATM   48  H   UNL     1       7.943  -0.211  -1.176  1.00  0.00           H  
HETATM   49  H   UNL     1       6.217   1.369   0.743  1.00  0.00           H  
HETATM   50  H   UNL     1       5.726   0.775  -0.862  1.00  0.00           H  
HETATM   51  H   UNL     1       3.970  -0.622   0.192  1.00  0.00           H  
HETATM   52  H   UNL     1       4.461  -0.029   1.797  1.00  0.00           H  
HETATM   53  H   UNL     1       3.968   2.312   1.029  1.00  0.00           H  
HETATM   54  H   UNL     1       4.139   1.920  -3.494  1.00  0.00           H  
HETATM   55  H   UNL     1       3.114   3.321  -3.102  1.00  0.00           H  
HETATM   56  H   UNL     1       5.141   4.707  -2.756  1.00  0.00           H  
HETATM   57  H   UNL     1       6.166   3.306  -3.148  1.00  0.00           H  
HETATM   58  H   UNL     1       5.112   4.015  -4.395  1.00  0.00           H  
HETATM   59  H   UNL     1       1.670   0.324   0.739  1.00  0.00           H  
HETATM   60  H   UNL     1       2.903   1.726   3.151  1.00  0.00           H  
HETATM   61  H   UNL     1       1.361   0.839   3.188  1.00  0.00           H  
HETATM   62  H   UNL     1       2.876  -0.025   2.832  1.00  0.00           H  
HETATM   63  H   UNL     1       1.197   2.679  -0.026  1.00  0.00           H  
HETATM   64  H   UNL     1       1.854   3.346   2.722  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.105   1.734   2.566  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.045   3.753   0.478  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.033   3.132   1.822  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.589   4.117   2.160  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.938   1.421  -0.353  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.144   0.154   0.613  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.014   0.223   2.240  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.807   1.490   1.274  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.745  -0.232   1.161  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.918  -2.584   1.956  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.306  -2.921   1.283  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.486  -1.770   2.628  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.200  -2.343  -0.975  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.055   0.625  -4.140  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.522  -0.173  -4.756  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.650   1.074  -3.492  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.101  -2.816   0.610  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.999  -1.996  -2.188  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.120  -3.499  -1.816  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.747  -3.230  -1.145  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.603  -0.400   1.087  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.248  -0.244  -0.565  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.914  -2.016  -0.083  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.269  -2.173   1.569  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.504   0.837   2.693  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.234   0.452   2.853  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.010  -0.788   3.217  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.128  -0.097  -0.733  1.00  0.00           H  
CONECT    1    6    6    2   42                                       
CONECT    2    1    3    3   43                                       
CONECT    3    2    2    4   44                                       
CONECT    4    5    5    3   45                                       
CONECT    5    6    4    4   46                                       
CONECT    6    7    1    1    5                                       
CONECT    7    8    6   47   48                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   49   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11   12   10   17   53                                       
CONECT   12   13   11                                                 
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   54   55                                       
CONECT   16   15   56   57   58                                       
CONECT   17   11   18   19   59                                       
CONECT   18   17   60   61   62                                       
CONECT   19   17   20   21   63                                       
CONECT   20   19   64                                                 
CONECT   21   19   22   23   65                                       
CONECT   22   21   66   67   68                                       
CONECT   23   21   24   69   70                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   29   73                                       
CONECT   28   27   74   75   76                                       
CONECT   29   27   30   34   77                                       
CONECT   30   31   29                                                 
CONECT   31   32   32   33   30                                       
CONECT   32   31   31                                                 
CONECT   33   31   78   79   80                                       
CONECT   34   29   36   35   81                                       
CONECT   35   34   82   83   84                                       
CONECT   36   34   37   85   86                                       
CONECT   37   36   38   87   88                                       
CONECT   38   37   39   40                                            
CONECT   39   38   89   90   91                                       
CONECT   40   38   41   41   92                                       
CONECT   41   40   40                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
