COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.828  -0.577   0.299  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.852  -1.475   1.117  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.975   0.020  -0.080  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.201  -0.461   0.531  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.371   0.319  -0.010  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.779   1.480   0.620  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.852   2.195   0.124  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.518   1.751  -1.004  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.109   0.591  -1.635  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.033  -0.123  -1.141  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.654  -0.174  -0.226  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.406  -0.819   0.191  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.256   0.132  -0.014  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.458   1.241  -0.463  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.180  -2.080  -0.647  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.282  -3.097  -0.345  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.128  -4.305  -1.271  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.171  -3.553   1.111  1.00  0.00           C  
HETATM   19  N   UNL     1       0.998  -0.248   0.303  1.00  0.00           N  
HETATM   20  C   UNL     1       2.116   0.678   0.104  1.00  0.00           C  
HETATM   21  C   UNL     1       3.391  -0.106  -0.071  1.00  0.00           C  
HETATM   22  O   UNL     1       3.368  -1.318  -0.034  1.00  0.00           O  
HETATM   23  C   UNL     1       2.243   1.593   1.323  1.00  0.00           C  
HETATM   24  C   UNL     1       0.999   2.478   1.429  1.00  0.00           C  
HETATM   25  C   UNL     1       1.069   3.304   2.715  1.00  0.00           C  
HETATM   26  C   UNL     1       0.938   3.417   0.222  1.00  0.00           C  
HETATM   27  C   UNL     1       6.270   0.840  -2.651  1.00  0.00           C  
HETATM   28  C   UNL     1       5.378  -1.388   1.729  1.00  0.00           C  
HETATM   29  C   UNL     1       6.384  -0.554   0.934  1.00  0.00           C  
HETATM   30  O   UNL     1       6.662   0.657   1.639  1.00  0.00           O  
HETATM   31  C   UNL     1       5.797  -0.221  -0.440  1.00  0.00           C  
HETATM   32  C   UNL     1       6.803   0.613  -1.235  1.00  0.00           C  
HETATM   33  C   UNL     1       7.214   1.777  -3.408  1.00  0.00           C  
HETATM   34  C   UNL     1       6.185  -0.499  -3.385  1.00  0.00           C  
HETATM   35  N   UNL     1       4.557   0.540  -0.269  1.00  0.00           N  
HETATM   36  O   UNL     1       5.970  -1.798   2.964  1.00  0.00           O  
HETATM   37  H   UNL     1      -6.331  -1.519   0.300  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.145  -0.330   1.611  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.259   1.827   1.501  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.172   3.102   0.617  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.357   2.309  -1.391  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.629   0.243  -2.515  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.712  -1.027  -1.636  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.635   0.543  -0.878  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.471  -1.090   1.244  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.204  -1.822  -1.706  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.210  -2.511  -0.400  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.257  -2.636  -0.508  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.154  -4.766  -1.108  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.914  -5.030  -1.056  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.208  -3.981  -2.308  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.280  -2.692   1.771  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.956  -4.278   1.326  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.196  -4.014   1.274  1.00  0.00           H  
HETATM   55  H   UNL     1       1.160  -1.134   0.662  1.00  0.00           H  
HETATM   56  H   UNL     1       1.935   1.281  -0.786  1.00  0.00           H  
HETATM   57  H   UNL     1       2.335   0.987   2.225  1.00  0.00           H  
HETATM   58  H   UNL     1       3.128   2.221   1.216  1.00  0.00           H  
HETATM   59  H   UNL     1       0.108   1.851   1.447  1.00  0.00           H  
HETATM   60  H   UNL     1       1.960   3.931   2.697  1.00  0.00           H  
HETATM   61  H   UNL     1       0.183   3.934   2.790  1.00  0.00           H  
HETATM   62  H   UNL     1       1.112   2.635   3.574  1.00  0.00           H  
HETATM   63  H   UNL     1       1.829   4.044   0.204  1.00  0.00           H  
HETATM   64  H   UNL     1       0.888   2.828  -0.694  1.00  0.00           H  
HETATM   65  H   UNL     1       0.052   4.047   0.298  1.00  0.00           H  
HETATM   66  H   UNL     1       5.278   1.289  -2.599  1.00  0.00           H  
HETATM   67  H   UNL     1       4.490  -0.790   1.933  1.00  0.00           H  
HETATM   68  H   UNL     1       5.098  -2.269   1.151  1.00  0.00           H  
HETATM   69  H   UNL     1       7.306  -1.121   0.807  1.00  0.00           H  
HETATM   70  H   UNL     1       5.885   1.213   1.788  1.00  0.00           H  
HETATM   71  H   UNL     1       5.585  -1.145  -0.978  1.00  0.00           H  
HETATM   72  H   UNL     1       7.755   0.084  -1.286  1.00  0.00           H  
HETATM   73  H   UNL     1       6.948   1.574  -0.743  1.00  0.00           H  
HETATM   74  H   UNL     1       8.206   1.328  -3.460  1.00  0.00           H  
HETATM   75  H   UNL     1       6.834   1.939  -4.416  1.00  0.00           H  
HETATM   76  H   UNL     1       7.275   2.731  -2.885  1.00  0.00           H  
HETATM   77  H   UNL     1       7.176  -0.948  -3.438  1.00  0.00           H  
HETATM   78  H   UNL     1       5.512  -1.167  -2.847  1.00  0.00           H  
HETATM   79  H   UNL     1       5.805  -0.337  -4.394  1.00  0.00           H  
HETATM   80  H   UNL     1       4.576   1.510  -0.299  1.00  0.00           H  
HETATM   81  H   UNL     1       5.387  -2.332   3.522  1.00  0.00           H  
CONECT    1    3    2    2   11                                       
CONECT    2    1    1                                                 
CONECT    3    4    1                                                 
CONECT    4    5    3   37   38                                       
CONECT    5    6    4   10   10                                       
CONECT    6    7    7    5   39                                       
CONECT    7    6    6    8   40                                       
CONECT    8    7    9    9   41                                       
CONECT    9    8    8   10   42                                       
CONECT   10    5    5    9   43                                       
CONECT   11    1   12   44                                            
CONECT   12   11   15   13   45                                       
CONECT   13   12   19   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   12   46   47                                       
CONECT   16   18   17   15   48                                       
CONECT   17   16   49   50   51                                       
CONECT   18   16   52   53   54                                       
CONECT   19   13   20   55                                            
CONECT   20   19   23   21   56                                       
CONECT   21   20   22   22   35                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   57   58                                       
CONECT   24   23   25   26   59                                       
CONECT   25   24   60   61   62                                       
CONECT   26   24   63   64   65                                       
CONECT   27   34   33   32   66                                       
CONECT   28   29   36   67   68                                       
CONECT   29   31   28   30   69                                       
CONECT   30   29   70                                                 
CONECT   31   35   32   29   71                                       
CONECT   32   27   31   72   73                                       
CONECT   33   27   74   75   76                                       
CONECT   34   27   77   78   79                                       
CONECT   35   21   31   80                                            
CONECT   36   28   81                                                 
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
