COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.400  -7.507   0.834  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.406  -6.606   0.164  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.065  -5.391  -0.188  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.071  -4.491  -0.858  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.187  -3.203  -0.084  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.896  -2.064  -0.661  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.379  -2.046  -2.077  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.078  -0.770   0.090  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.715  -0.109   0.305  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.884   1.139   1.174  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.542   1.790   1.386  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.150   2.789   0.588  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.888   3.401   0.787  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.489   4.416  -0.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.390   4.891  -1.135  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.236   5.024   0.174  1.00  0.00           C  
HETATM   17  C   UNL     1       0.942   4.289  -0.035  1.00  0.00           C  
HETATM   18  C   UNL     1       2.259   4.842   0.318  1.00  0.00           C  
HETATM   19  C   UNL     1       3.402   4.030   0.074  1.00  0.00           C  
HETATM   20  C   UNL     1       3.250   2.809  -0.459  1.00  0.00           C  
HETATM   21  C   UNL     1       0.905   2.981  -0.589  1.00  0.00           C  
HETATM   22  C   UNL     1       4.477   1.973  -0.713  1.00  0.00           C  
HETATM   23  C   UNL     1       4.578   1.655  -2.206  1.00  0.00           C  
HETATM   24  C   UNL     1       4.379   0.669   0.081  1.00  0.00           C  
HETATM   25  C   UNL     1       5.678  -0.124  -0.077  1.00  0.00           C  
HETATM   26  C   UNL     1       5.581  -1.408   0.705  1.00  0.00           C  
HETATM   27  C   UNL     1       5.790  -2.564   0.104  1.00  0.00           C  
HETATM   28  C   UNL     1       5.913  -4.931   0.213  1.00  0.00           C  
HETATM   29  C   UNL     1       6.068  -7.313   0.185  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.641   1.315   2.496  1.00  0.00           C  
HETATM   31  N   UNL     1       5.700  -3.751   0.827  1.00  0.00           N  
HETATM   32  O   UNL     1       2.368   5.957   0.802  1.00  0.00           O  
HETATM   33  O   UNL     1       2.051   2.305  -0.781  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.161   2.477  -0.894  1.00  0.00           O  
HETATM   35  O   UNL     1       6.183  -4.960  -0.972  1.00  0.00           O  
HETATM   36  O   UNL     1       5.827  -6.079   0.911  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.165   6.315   0.564  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.918   0.105  -0.665  1.00  0.00           O  
HETATM   39  H   UNL     1      -4.862  -8.470   1.050  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.546  -7.654   0.172  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.064  -7.048   1.763  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.408  -6.963  -0.026  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.064  -5.035   0.002  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.745  -4.275  -1.875  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.042  -4.987  -0.885  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.509  -3.219   0.947  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.219  -2.073  -2.771  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.800  -1.138  -2.241  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.744  -2.917  -2.242  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.539  -0.973   1.056  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.045  -0.810   0.803  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.292   0.175  -0.659  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.554   1.840   0.676  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.307   0.855   2.138  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.796   3.129  -0.208  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.242   3.061   1.583  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.106   5.612  -0.739  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.790   5.364  -1.912  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.927   4.041  -1.556  1.00  0.00           H  
HETATM   60  H   UNL     1       4.388   4.396   0.317  1.00  0.00           H  
HETATM   61  H   UNL     1       5.364   2.524  -0.398  1.00  0.00           H  
HETATM   62  H   UNL     1       4.648   2.584  -2.772  1.00  0.00           H  
HETATM   63  H   UNL     1       5.466   1.050  -2.390  1.00  0.00           H  
HETATM   64  H   UNL     1       3.691   1.104  -2.521  1.00  0.00           H  
HETATM   65  H   UNL     1       4.218   0.896   1.135  1.00  0.00           H  
HETATM   66  H   UNL     1       3.544   0.077  -0.294  1.00  0.00           H  
HETATM   67  H   UNL     1       5.839  -0.351  -1.131  1.00  0.00           H  
HETATM   68  H   UNL     1       6.513   0.468   0.298  1.00  0.00           H  
HETATM   69  H   UNL     1       5.341  -1.383   1.758  1.00  0.00           H  
HETATM   70  H   UNL     1       6.030  -2.589  -0.949  1.00  0.00           H  
HETATM   71  H   UNL     1       5.968  -8.160   0.864  1.00  0.00           H  
HETATM   72  H   UNL     1       5.343  -7.407  -0.623  1.00  0.00           H  
HETATM   73  H   UNL     1       7.076  -7.298  -0.231  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.993   0.521   2.125  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.030   2.146   2.849  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.247   0.934   3.318  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.569   0.329  -1.538  1.00  0.00           H  
HETATM   78  H   UNL     1       5.485  -3.728   1.772  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.525   6.479   1.446  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3    3   42                                       
CONECT    3    2    2    4   43                                       
CONECT    4    5    3   44   45                                       
CONECT    5    6    6    4   46                                       
CONECT    6    8    5    5    7                                       
CONECT    7    6   47   48   49                                       
CONECT    8    9   38    6   50                                       
CONECT    9   10    8   51   52                                       
CONECT   10   11    9   53   54                                       
CONECT   11   30   10   12   12                                       
CONECT   12   11   11   13   55                                       
CONECT   13   14   14   12   56                                       
CONECT   14   16   13   13   15                                       
CONECT   15   14   57   58   59                                       
CONECT   16   17   17   37   14                                       
CONECT   17   21   18   16   16                                       
CONECT   18   19   17   32   32                                       
CONECT   19   20   20   18   60                                       
CONECT   20   22   33   19   19                                       
CONECT   21   33   34   34   17                                       
CONECT   22   23   24   20   61                                       
CONECT   23   22   62   63   64                                       
CONECT   24   25   22   65   66                                       
CONECT   25   26   24   67   68                                       
CONECT   26   27   27   25   69                                       
CONECT   27   31   26   26   70                                       
CONECT   28   35   35   36   31                                       
CONECT   29   36   71   72   73                                       
CONECT   30   11   74   75   76                                       
CONECT   31   28   27   78                                            
CONECT   32   18   18                                                 
CONECT   33   20   21                                                 
CONECT   34   21   21                                                 
CONECT   35   28   28                                                 
CONECT   36   29   28                                                 
CONECT   37   16   79                                                 
CONECT   38    8   77                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   38                                                      
CONECT   78   31                                                      
CONECT   79   37                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
