COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.332   2.004  -0.526  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.273   2.546   0.744  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.527   0.001  -0.345  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.739   0.507   0.216  1.00  0.00           O  
HETATM    5  C   UNL     1       1.903   1.364  -1.333  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.354   1.666  -0.075  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.381   0.902   0.038  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.385   1.182  -0.879  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.316   1.434   1.312  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.087  -1.941  -0.413  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.265   2.260   1.663  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.263  -3.604   0.410  1.00  0.00           O  
HETATM   13  C   UNL     1       2.039   0.184  -1.945  1.00  0.00           C  
HETATM   14  S   UNL     1       3.277   1.645  -0.271  1.00  0.00           S  
HETATM   15  C   UNL     1       0.750   2.314  -1.528  1.00  0.00           C  
HETATM   16  C   UNL     1       0.872   3.447   1.127  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.464  -2.305  -0.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.268  -1.410   0.191  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.735  -1.684   0.437  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.899  -0.263  -0.109  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.134   0.386   0.519  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.867  -2.472   0.063  1.00  0.00           O  
HETATM   23  C   UNL     1       3.985   0.101  -0.727  1.00  0.00           C  
HETATM   24  C   UNL     1       3.182  -0.516  -1.616  1.00  0.00           C  
HETATM   25  C   UNL     1       5.263  -0.437  -0.213  1.00  0.00           C  
HETATM   26  C   UNL     1       5.728  -1.677  -0.654  1.00  0.00           C  
HETATM   27  C   UNL     1       6.921  -2.174  -0.172  1.00  0.00           C  
HETATM   28  C   UNL     1       7.657  -1.445   0.748  1.00  0.00           C  
HETATM   29  C   UNL     1       7.199  -0.214   1.189  1.00  0.00           C  
HETATM   30  C   UNL     1       6.011   0.296   0.709  1.00  0.00           C  
HETATM   31  F   UNL     1       8.824  -1.937   1.218  1.00  0.00           F  
HETATM   32  H   UNL     1      -3.615  -0.033  -1.431  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.123   2.136   0.276  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.431   0.759  -1.872  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.087   1.204   2.033  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.865  -2.836  -0.123  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.215   2.676   2.659  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.987  -4.222   0.238  1.00  0.00           H  
HETATM   39  H   UNL     1       1.309  -0.193  -2.645  1.00  0.00           H  
HETATM   40  H   UNL     1       0.354   2.202  -2.538  1.00  0.00           H  
HETATM   41  H   UNL     1       1.095   3.339  -1.385  1.00  0.00           H  
HETATM   42  H   UNL     1       0.615   4.480   0.896  1.00  0.00           H  
HETATM   43  H   UNL     1       1.068   3.351   2.195  1.00  0.00           H  
HETATM   44  H   UNL     1       1.763   3.160   0.567  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.563  -2.385  -1.233  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.138  -1.371   1.272  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.656  -1.651   1.523  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.018  -0.300  -1.191  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.977   0.504   1.591  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.004  -0.249   0.348  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.828  -3.388   0.372  1.00  0.00           H  
HETATM   52  H   UNL     1       3.414  -1.483  -2.038  1.00  0.00           H  
HETATM   53  H   UNL     1       5.155  -2.246  -1.371  1.00  0.00           H  
HETATM   54  H   UNL     1       7.282  -3.133  -0.513  1.00  0.00           H  
HETATM   55  H   UNL     1       7.777   0.350   1.907  1.00  0.00           H  
HETATM   56  H   UNL     1       5.657   1.258   1.050  1.00  0.00           H  
CONECT    1    8    8    2   15                                       
CONECT    2   11   11    1   16                                       
CONECT    3   18    4    7   32                                       
CONECT    4   20    3                                                 
CONECT    5   15   14   13   13                                       
CONECT    6   21   33                                                 
CONECT    7    3    9    9    8                                       
CONECT    8    7    1    1   34                                       
CONECT    9    7    7   11   35                                       
CONECT   10   18   36                                                 
CONECT   11    9    2    2   37                                       
CONECT   12   17   38                                                 
CONECT   13    5    5   24   39                                       
CONECT   14    5   23                                                 
CONECT   15    1    5   40   41                                       
CONECT   16    2   42   43   44                                       
CONECT   17   12   19   18   45                                       
CONECT   18   17   10    3   46                                       
CONECT   19   22   17   20   47                                       
CONECT   20   19   21    4   48                                       
CONECT   21   20    6   49   50                                       
CONECT   22   19   51                                                 
CONECT   23   14   24   24   25                                       
CONECT   24   13   23   23   52                                       
CONECT   25   23   26   26   30                                       
CONECT   26   25   25   27   53                                       
CONECT   27   26   28   28   54                                       
CONECT   28   27   27   29   31                                       
CONECT   29   30   30   28   55                                       
CONECT   30   25   29   29   56                                       
CONECT   31   28                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
