COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.807  -0.643   0.340  1.00  0.00           C  
HETATM    2  O   UNL     1       3.356  -1.070   1.382  1.00  0.00           O  
HETATM    3  C   UNL     1       4.997  -1.314  -0.297  1.00  0.00           C  
HETATM    4  C   UNL     1       5.442  -2.494   0.570  1.00  0.00           C  
HETATM    5  C   UNL     1       6.631  -3.164  -0.067  1.00  0.00           C  
HETATM    6  C   UNL     1       7.911  -2.748   0.249  1.00  0.00           C  
HETATM    7  C   UNL     1       9.002  -3.363  -0.336  1.00  0.00           C  
HETATM    8  C   UNL     1       8.814  -4.394  -1.237  1.00  0.00           C  
HETATM    9  C   UNL     1       7.534  -4.811  -1.553  1.00  0.00           C  
HETATM   10  C   UNL     1       6.443  -4.200  -0.964  1.00  0.00           C  
HETATM   11  O   UNL     1       0.982  -0.745  -0.883  1.00  0.00           O  
HETATM   12  C   UNL     1       0.825   0.215  -0.158  1.00  0.00           C  
HETATM   13  C   UNL     1       2.018   1.010   0.307  1.00  0.00           C  
HETATM   14  C   UNL     1       1.881   2.458  -0.167  1.00  0.00           C  
HETATM   15  C   UNL     1       3.000   3.285   0.412  1.00  0.00           C  
HETATM   16  N   UNL     1       3.145   4.574   0.046  1.00  0.00           N  
HETATM   17  C   UNL     1       4.234   5.377   0.609  1.00  0.00           C  
HETATM   18  C   UNL     1       5.473   5.251  -0.280  1.00  0.00           C  
HETATM   19  C   UNL     1       2.216   5.171  -0.916  1.00  0.00           C  
HETATM   20  C   UNL     1       1.031   5.785  -0.166  1.00  0.00           C  
HETATM   21  O   UNL     1       3.770   2.790   1.208  1.00  0.00           O  
HETATM   22  N   UNL     1       3.241   0.428  -0.251  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.125  -0.936   2.017  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.415   0.569   0.232  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.574  -0.204  -0.219  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.802   0.670  -0.196  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.717   1.825   0.164  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.783  -1.401   0.710  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.342  -1.980   2.968  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.588  -1.237  -1.913  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.935  -0.375  -2.739  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.152  -1.395  -0.586  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.595  -0.812   1.196  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.032  -0.655  -0.131  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.252  -1.670   2.023  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.994   0.168  -0.573  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.187   1.018  -0.550  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.380   0.222  -1.015  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.834   0.352  -2.291  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.354  -2.397   1.576  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.804  -2.271   0.298  1.00  0.00           C  
HETATM   42  H   UNL     1       4.723  -1.674  -1.288  1.00  0.00           H  
HETATM   43  H   UNL     1       5.814  -0.598  -0.384  1.00  0.00           H  
HETATM   44  H   UNL     1       5.715  -2.133   1.561  1.00  0.00           H  
HETATM   45  H   UNL     1       4.624  -3.210   0.656  1.00  0.00           H  
HETATM   46  H   UNL     1       8.058  -1.942   0.953  1.00  0.00           H  
HETATM   47  H   UNL     1      10.002  -3.038  -0.089  1.00  0.00           H  
HETATM   48  H   UNL     1       9.666  -4.874  -1.694  1.00  0.00           H  
HETATM   49  H   UNL     1       7.387  -5.616  -2.257  1.00  0.00           H  
HETATM   50  H   UNL     1       5.443  -4.525  -1.211  1.00  0.00           H  
HETATM   51  H   UNL     1       2.068   0.988   1.395  1.00  0.00           H  
HETATM   52  H   UNL     1       1.931   2.491  -1.256  1.00  0.00           H  
HETATM   53  H   UNL     1       0.923   2.860   0.164  1.00  0.00           H  
HETATM   54  H   UNL     1       3.926   6.421   0.658  1.00  0.00           H  
HETATM   55  H   UNL     1       4.468   5.019   1.612  1.00  0.00           H  
HETATM   56  H   UNL     1       6.282   5.848   0.139  1.00  0.00           H  
HETATM   57  H   UNL     1       5.780   4.206  -0.329  1.00  0.00           H  
HETATM   58  H   UNL     1       5.239   5.608  -1.283  1.00  0.00           H  
HETATM   59  H   UNL     1       2.728   5.948  -1.483  1.00  0.00           H  
HETATM   60  H   UNL     1       1.854   4.402  -1.598  1.00  0.00           H  
HETATM   61  H   UNL     1       0.518   5.008   0.401  1.00  0.00           H  
HETATM   62  H   UNL     1       1.393   6.554   0.517  1.00  0.00           H  
HETATM   63  H   UNL     1       0.340   6.230  -0.881  1.00  0.00           H  
HETATM   64  H   UNL     1       3.643   0.812  -1.045  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.540   1.336   0.813  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.401  -0.559  -1.235  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.864  -1.985   0.762  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.589  -2.025   0.324  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.160  -2.616   2.629  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.435  -2.576   3.067  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.597  -1.544   3.934  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.440  -1.794  -2.273  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.274  -0.253  -3.757  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.743  -0.255   1.556  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.915  -1.789   3.042  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.062  -0.756  -0.860  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.361   1.372   0.466  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.039   1.870  -1.212  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.333   1.029  -2.968  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.857  -3.071   2.253  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.659  -2.841  -0.035  1.00  0.00           H  
CONECT    1    3    2    2   22                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   42   43                                       
CONECT    4    5    3   44   45                                       
CONECT    5   10   10    6    4                                       
CONECT    6    7    7    5   46                                       
CONECT    7    8    6    6   47                                       
CONECT    8    9    9    7   48                                       
CONECT    9    8    8   10   49                                       
CONECT   10    9    5    5   50                                       
CONECT   11   12   12                                                 
CONECT   12   13   24   11   11                                       
CONECT   13   22   12   14   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   21   21   14   16                                       
CONECT   16   15   17   19                                            
CONECT   17   18   16   54   55                                       
CONECT   18   17   56   57   58                                       
CONECT   19   16   20   59   60                                       
CONECT   20   19   61   62   63                                       
CONECT   21   15   15                                                 
CONECT   22    1   13   64                                            
CONECT   23   28   29                                                 
CONECT   24   12   25   65                                            
CONECT   25   28   24   26   66                                       
CONECT   26   25   27   27   36                                       
CONECT   27   26   26                                                 
CONECT   28   23   25   67   68                                       
CONECT   29   23   69   70   71                                       
CONECT   30   32   32   31   72                                       
CONECT   31   39   39   30   73                                       
CONECT   32   34   41   30   30                                       
CONECT   33   35   35   34   74                                       
CONECT   34   33   38   38   32                                       
CONECT   35   33   33   40   75                                       
CONECT   36   26   37   76                                            
CONECT   37   36   38   77   78                                       
CONECT   38   37   34   34   39                                       
CONECT   39   38   31   31   79                                       
CONECT   40   35   41   41   80                                       
CONECT   41   40   40   32   81                                       
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
