COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.998   2.760   1.100  1.00  0.00           C  
HETATM    2  C   UNL     1       1.645   2.535   1.234  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.815   3.757  -1.965  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.221   4.416  -0.905  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.451   1.658  -0.866  1.00  0.00           C  
HETATM    6  C   UNL     1       1.978   0.250   0.520  1.00  0.00           C  
HETATM    7  C   UNL     1       1.139  -0.933   0.296  1.00  0.00           C  
HETATM    8  C   UNL     1       3.845   1.748   0.683  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.863   2.316   0.197  1.00  0.00           C  
HETATM   10  C   UNL     1       1.119   1.277   0.943  1.00  0.00           C  
HETATM   11  C   UNL     1       3.360   0.484   0.399  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.933   2.378  -1.945  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.745   3.695   0.177  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.161  -0.553   0.592  1.00  0.00           C  
HETATM   15  C   UNL     1       2.386  -4.482   0.317  1.00  0.00           C  
HETATM   16  C   UNL     1       1.965  -3.232   0.776  1.00  0.00           C  
HETATM   17  C   UNL     1       2.432  -4.739  -1.013  1.00  0.00           C  
HETATM   18  C   UNL     1       1.590  -2.266  -0.150  1.00  0.00           C  
HETATM   19  C   UNL     1       1.648  -2.582  -1.532  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.339  -1.418   0.516  1.00  0.00           C  
HETATM   21  C   UNL     1       5.504   0.411  -0.377  1.00  0.00           C  
HETATM   22  C   UNL     1       5.341   1.716   0.437  1.00  0.00           C  
HETATM   23  C   UNL     1       5.787   2.930  -0.381  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.664  -2.860   2.238  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.350   1.533   1.378  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.161   0.774   0.982  1.00  0.00           N  
HETATM   27  N   UNL     1       2.068  -3.800  -1.923  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.571  -0.893   0.668  1.00  0.00           N  
HETATM   29  O   UNL     1       1.325  -1.751  -2.364  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.206  -2.611   0.314  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.759  -2.714  -0.425  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.994  -1.000   0.863  1.00  0.00           O  
HETATM   33  O   UNL     1       4.362  -0.361   0.034  1.00  0.00           O  
HETATM   34  F   UNL     1      -3.519   1.736  -2.979  1.00  0.00           F  
HETATM   35  F   UNL     1      -1.164   4.339   1.214  1.00  0.00           F  
HETATM   36  S   UNL     1      -3.893  -1.888   0.724  1.00  0.00           S  
HETATM   37  H   UNL     1       3.401   3.737   1.319  1.00  0.00           H  
HETATM   38  H   UNL     1       0.993   3.331   1.562  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.191   4.320  -2.807  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.129   5.491  -0.920  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.543   0.582  -0.850  1.00  0.00           H  
HETATM   42  H   UNL     1       2.681  -5.244   1.023  1.00  0.00           H  
HETATM   43  H   UNL     1       1.930  -3.019   1.834  1.00  0.00           H  
HETATM   44  H   UNL     1       2.764  -5.708  -1.355  1.00  0.00           H  
HETATM   45  H   UNL     1       5.468   0.616  -1.447  1.00  0.00           H  
HETATM   46  H   UNL     1       6.431  -0.096  -0.113  1.00  0.00           H  
HETATM   47  H   UNL     1       5.889   1.659   1.378  1.00  0.00           H  
HETATM   48  H   UNL     1       5.541   3.843   0.161  1.00  0.00           H  
HETATM   49  H   UNL     1       6.864   2.883  -0.543  1.00  0.00           H  
HETATM   50  H   UNL     1       5.275   2.929  -1.342  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.734  -3.424   2.171  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.622  -2.191   3.097  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.500  -3.551   2.356  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.091   2.219   2.184  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.123   0.844   1.721  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.683   0.068   0.745  1.00  0.00           H  
HETATM   57  H   UNL     1       2.106  -4.012  -2.869  1.00  0.00           H  
CONECT    1    2    8    8   37                                       
CONECT    2   10   10    1   38                                       
CONECT    3    4   12   12   39                                       
CONECT    4   13   13    3   40                                       
CONECT    5    9    9   12   41                                       
CONECT    6   10    7   11   11                                       
CONECT    7   14   14   18    6                                       
CONECT    8    1    1   11   22                                       
CONECT    9   13   25    5    5                                       
CONECT   10   26    2    2    6                                       
CONECT   11    6    6    8   33                                       
CONECT   12    3    3    5   34                                       
CONECT   13   35    4    4    9                                       
CONECT   14   20   26    7    7                                       
CONECT   15   17   17   16   42                                       
CONECT   16   18   18   15   43                                       
CONECT   17   27   15   15   44                                       
CONECT   18   19    7   16   16                                       
CONECT   19   29   29   27   18                                       
CONECT   20   28   30   30   14                                       
CONECT   21   33   22   45   46                                       
CONECT   22    8   21   23   47                                       
CONECT   23   22   48   49   50                                       
CONECT   24   36   51   52   53                                       
CONECT   25    9   26   54   55                                       
CONECT   26   25   14   10                                            
CONECT   27   19   17   57                                            
CONECT   28   36   20   56                                            
CONECT   29   19   19                                                 
CONECT   30   20   20                                                 
CONECT   31   36   36                                                 
CONECT   32   36   36                                                 
CONECT   33   11   21                                                 
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   31   31   24   32                                       
CONECT   36   32   28                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   28                                                      
CONECT   57   27                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
