COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.208  -1.040 -11.643  1.00  0.00           C  
HETATM    2  C   UNL     1       2.060   1.242 -10.639  1.00  0.00           C  
HETATM    3  C   UNL     1       3.705  -0.411  -9.745  1.00  0.00           C  
HETATM    4  C   UNL     1       2.309  -0.238 -10.344  1.00  0.00           C  
HETATM    5  O   UNL     1       1.314  -0.717  -9.401  1.00  0.00           O  
HETATM    6  C   UNL     1       1.217  -0.154  -8.182  1.00  0.00           C  
HETATM    7  O   UNL     1       1.961   0.754  -7.871  1.00  0.00           O  
HETATM    8  N   UNL     1       0.294  -0.599  -7.306  1.00  0.00           N  
HETATM    9  C   UNL     1       0.188   0.012  -5.979  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.929  -0.672  -5.190  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.038  -0.042  -3.825  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.295   0.864  -3.514  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.961  -0.487  -2.949  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.143   0.173  -1.729  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.000   1.552  -1.656  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.181   2.201  -0.450  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.504   1.478   0.683  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.648   0.104   0.613  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.463  -0.550  -0.587  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.000  -0.678   1.851  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.370  -0.231   2.365  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.563  -0.388   1.457  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.477  -1.252   2.438  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.961  -0.432   2.914  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.602  -0.371   2.581  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.252  -0.518   1.422  1.00  0.00           O  
HETATM   27  O   UNL     1       0.316  -0.145   3.536  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.034   0.014   4.820  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.325  -0.033   5.200  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.332  -0.262   4.236  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.635  -0.315   4.598  1.00  0.00           O  
HETATM   32  C   UNL     1       1.033   0.259   5.854  1.00  0.00           C  
HETATM   33  C   UNL     1       1.798   1.537   5.505  1.00  0.00           C  
HETATM   34  C   UNL     1       0.830   2.721   5.481  1.00  0.00           C  
HETATM   35  C   UNL     1       2.001  -0.925   5.878  1.00  0.00           C  
HETATM   36  C   UNL     1       3.069  -0.680   6.913  1.00  0.00           C  
HETATM   37  C   UNL     1       2.880  -1.106   8.215  1.00  0.00           C  
HETATM   38  C   UNL     1       3.859  -0.881   9.164  1.00  0.00           C  
HETATM   39  C   UNL     1       5.028  -0.232   8.812  1.00  0.00           C  
HETATM   40  C   UNL     1       5.217   0.192   7.510  1.00  0.00           C  
HETATM   41  C   UNL     1       4.239  -0.035   6.559  1.00  0.00           C  
HETATM   42  H   UNL     1       1.213  -0.917 -12.070  1.00  0.00           H  
HETATM   43  H   UNL     1       2.954  -0.680 -12.351  1.00  0.00           H  
HETATM   44  H   UNL     1       2.385  -2.095 -11.433  1.00  0.00           H  
HETATM   45  H   UNL     1       1.065   1.365 -11.066  1.00  0.00           H  
HETATM   46  H   UNL     1       2.131   1.814  -9.714  1.00  0.00           H  
HETATM   47  H   UNL     1       2.806   1.602 -11.347  1.00  0.00           H  
HETATM   48  H   UNL     1       3.883  -1.465  -9.535  1.00  0.00           H  
HETATM   49  H   UNL     1       4.452  -0.051 -10.453  1.00  0.00           H  
HETATM   50  H   UNL     1       3.777   0.160  -8.820  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.299  -1.325  -7.554  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.039   1.073  -6.086  1.00  0.00           H  
HETATM   53  H   UNL     1       1.132  -0.104  -5.449  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.701  -1.732  -5.083  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.873  -0.554  -5.720  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.498  -1.265  -3.165  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.748   2.117  -2.542  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.070   3.273  -0.393  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.645   1.988   1.624  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.574  -1.623  -0.641  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.031  -1.741   1.612  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.369   0.589   3.082  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.109  -0.034   0.595  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.903  -2.104   2.946  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.589   0.101   6.238  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.665  -0.173   5.555  1.00  0.00           H  
HETATM   67  H   UNL     1       0.570   0.369   6.835  1.00  0.00           H  
HETATM   68  H   UNL     1       2.261   1.426   4.524  1.00  0.00           H  
HETATM   69  H   UNL     1       2.571   1.714   6.254  1.00  0.00           H  
HETATM   70  H   UNL     1       1.376   3.631   5.232  1.00  0.00           H  
HETATM   71  H   UNL     1       0.058   2.544   4.733  1.00  0.00           H  
HETATM   72  H   UNL     1       0.367   2.832   6.462  1.00  0.00           H  
HETATM   73  H   UNL     1       1.455  -1.835   6.127  1.00  0.00           H  
HETATM   74  H   UNL     1       2.464  -1.035   4.898  1.00  0.00           H  
HETATM   75  H   UNL     1       1.967  -1.613   8.490  1.00  0.00           H  
HETATM   76  H   UNL     1       3.712  -1.213  10.181  1.00  0.00           H  
HETATM   77  H   UNL     1       5.793  -0.056   9.553  1.00  0.00           H  
HETATM   78  H   UNL     1       6.129   0.700   7.235  1.00  0.00           H  
HETATM   79  H   UNL     1       4.386   0.296   5.542  1.00  0.00           H  
CONECT    1    4   42   43   44                                       
CONECT    2    4   45   46   47                                       
CONECT    3    4   48   49   50                                       
CONECT    4    1    2    3    5                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   51                                            
CONECT    9    8   10   52   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   56                                            
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   57                                       
CONECT   16   15   17   17   58                                       
CONECT   17   16   16   18   59                                       
CONECT   18   17   19   19   20                                       
CONECT   19   14   18   18   60                                       
CONECT   20   18   21   24   61                                       
CONECT   21   20   22   23   62                                       
CONECT   22   21   23   23   63                                       
CONECT   23   21   22   22   64                                       
CONECT   24   20   25   30   30                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28                                                 
CONECT   28   27   29   29   32                                       
CONECT   29   28   28   30   65                                       
CONECT   30   24   24   29   31                                       
CONECT   31   30   66                                                 
CONECT   32   28   33   35   67                                       
CONECT   33   32   34   68   69                                       
CONECT   34   33   70   71   72                                       
CONECT   35   32   36   73   74                                       
CONECT   36   35   37   37   41                                       
CONECT   37   36   36   38   75                                       
CONECT   38   37   39   39   76                                       
CONECT   39   38   38   40   77                                       
CONECT   40   39   41   41   78                                       
CONECT   41   36   40   40   79                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
