COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.385  -1.663   0.209  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.285  -3.151   0.419  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.591  -0.988   0.170  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.595   0.424   0.139  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.730   0.361   1.348  1.00  0.00           C  
HETATM    6  F   UNL     1      -2.283  -3.443  -1.340  1.00  0.00           F  
HETATM    7  C   UNL     1      -3.181  -2.853  -0.519  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.403  -3.487  -0.341  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.389  -2.905   0.432  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.164  -1.668   1.012  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.907  -1.669   0.142  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.951  -1.045   0.846  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.814   1.045   0.414  1.00  0.00           N  
HETATM   14  S   UNL     1      -3.284   2.463  -0.290  1.00  0.00           S  
HETATM   15  O   UNL     1      -4.704   2.409  -0.273  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.682   3.750   0.838  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.567   2.500  -1.516  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.415   1.117  -0.030  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.362   2.622  -0.098  1.00  0.00           C  
HETATM   20  C   UNL     1       0.785   0.428  -0.110  1.00  0.00           C  
HETATM   21  C   UNL     1       2.066   1.191  -0.331  1.00  0.00           C  
HETATM   22  O   UNL     1       2.093   2.334   0.525  1.00  0.00           O  
HETATM   23  C   UNL     1       3.407   2.731   0.923  1.00  0.00           C  
HETATM   24  C   UNL     1       3.316   3.958   1.832  1.00  0.00           C  
HETATM   25  C   UNL     1       4.080   1.584   1.679  1.00  0.00           C  
HETATM   26  C   UNL     1       4.233   3.077  -0.319  1.00  0.00           C  
HETATM   27  C   UNL     1       2.143   1.638  -1.768  1.00  0.00           C  
HETATM   28  O   UNL     1       2.234   0.727  -2.750  1.00  0.00           O  
HETATM   29  O   UNL     1       2.123   2.816  -2.037  1.00  0.00           O  
HETATM   30  C   UNL     1       0.808  -0.954   0.029  1.00  0.00           C  
HETATM   31  C   UNL     1       2.095  -1.689  -0.013  1.00  0.00           C  
HETATM   32  C   UNL     1       2.810  -1.920   1.166  1.00  0.00           C  
HETATM   33  O   UNL     1       2.328  -1.472   2.355  1.00  0.00           O  
HETATM   34  C   UNL     1       4.012  -2.607   1.118  1.00  0.00           C  
HETATM   35  C   UNL     1       4.501  -3.063  -0.092  1.00  0.00           C  
HETATM   36  C   UNL     1       5.809  -3.810  -0.138  1.00  0.00           C  
HETATM   37  C   UNL     1       3.796  -2.837  -1.260  1.00  0.00           C  
HETATM   38  C   UNL     1       2.594  -2.158  -1.226  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.078  -3.357   1.469  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.227  -3.622   0.136  1.00  0.00           H  
HETATM   41  H   UNL     1       0.521  -3.552  -0.196  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.676   0.893   1.375  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.280   0.331   2.335  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.580  -4.442  -0.814  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.329  -3.410   0.586  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.944  -1.199   1.593  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.164   3.636   1.809  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.603   3.655   0.954  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.918   4.732   0.428  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.197   3.026   0.900  1.00  0.00           H  
HETATM   51  H   UNL     1       0.454   2.928  -0.753  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.306   3.001  -0.492  1.00  0.00           H  
HETATM   53  H   UNL     1       2.915   0.547  -0.105  1.00  0.00           H  
HETATM   54  H   UNL     1       2.837   4.775   1.293  1.00  0.00           H  
HETATM   55  H   UNL     1       2.728   3.712   2.717  1.00  0.00           H  
HETATM   56  H   UNL     1       4.318   4.261   2.135  1.00  0.00           H  
HETATM   57  H   UNL     1       5.082   1.887   1.982  1.00  0.00           H  
HETATM   58  H   UNL     1       3.492   1.338   2.563  1.00  0.00           H  
HETATM   59  H   UNL     1       4.145   0.710   1.031  1.00  0.00           H  
HETATM   60  H   UNL     1       3.753   3.894  -0.858  1.00  0.00           H  
HETATM   61  H   UNL     1       5.235   3.380  -0.015  1.00  0.00           H  
HETATM   62  H   UNL     1       4.298   2.203  -0.967  1.00  0.00           H  
HETATM   63  H   UNL     1       2.281   1.062  -3.657  1.00  0.00           H  
HETATM   64  H   UNL     1       2.620  -0.579   2.586  1.00  0.00           H  
HETATM   65  H   UNL     1       4.567  -2.787   2.027  1.00  0.00           H  
HETATM   66  H   UNL     1       5.622  -4.877  -0.018  1.00  0.00           H  
HETATM   67  H   UNL     1       6.296  -3.632  -1.097  1.00  0.00           H  
HETATM   68  H   UNL     1       6.456  -3.462   0.667  1.00  0.00           H  
HETATM   69  H   UNL     1       4.184  -3.196  -2.201  1.00  0.00           H  
HETATM   70  H   UNL     1       2.044  -1.987  -2.139  1.00  0.00           H  
CONECT    1    3    2   30   30                                       
CONECT    2    1   39   40   41                                       
CONECT    3   11    4    4    1                                       
CONECT    4   13    3    3   18                                       
CONECT    5   13   12   42   43                                       
CONECT    6    7                                                      
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9   44                                       
CONECT    9    8   10   10   45                                       
CONECT   10    9    9   12   46                                       
CONECT   11    7    3   12   12                                       
CONECT   12   11   11   10    5                                       
CONECT   13   14    4    5                                            
CONECT   14   16   17   17   15                                       
CONECT   14   15   13                                                 
CONECT   15   14   14                                                 
CONECT   16   14   47   48   49                                       
CONECT   17   14   14                                                 
CONECT   18    4   19   20   20                                       
CONECT   19   18   50   51   52                                       
CONECT   20   18   18   30   21                                       
CONECT   21   22   20   27   53                                       
CONECT   22   23   21                                                 
CONECT   23   24   25   26   22                                       
CONECT   24   23   54   55   56                                       
CONECT   25   23   57   58   59                                       
CONECT   26   23   60   61   62                                       
CONECT   27   21   29   29   28                                       
CONECT   28   27   63                                                 
CONECT   29   27   27                                                 
CONECT   30    1    1   20   31                                       
CONECT   31   32   30   38   38                                       
CONECT   32   33   34   34   31                                       
CONECT   33   32   64                                                 
CONECT   34   32   32   35   65                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35   66   67   68                                       
CONECT   37   35   35   38   69                                       
CONECT   38   31   31   37   70                                       
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
