COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.003   1.619  -2.332  1.00  0.00           C  
HETATM    2  C   UNL     1       7.231   0.849  -1.292  1.00  0.00           C  
HETATM    3  O   UNL     1       7.804   0.055  -0.575  1.00  0.00           O  
HETATM    4  N   UNL     1       5.904   1.041  -1.158  1.00  0.00           N  
HETATM    5  C   UNL     1       5.153   0.293  -0.147  1.00  0.00           C  
HETATM    6  C   UNL     1       5.246   1.018   1.198  1.00  0.00           C  
HETATM    7  C   UNL     1       4.375   0.295   2.228  1.00  0.00           C  
HETATM    8  C   UNL     1       6.700   1.025   1.674  1.00  0.00           C  
HETATM    9  C   UNL     1       4.755   2.458   1.036  1.00  0.00           C  
HETATM   10  C   UNL     1       3.709   0.193  -0.565  1.00  0.00           C  
HETATM   11  O   UNL     1       3.206   1.078  -1.224  1.00  0.00           O  
HETATM   12  N   UNL     1       2.976  -0.880  -0.207  1.00  0.00           N  
HETATM   13  C   UNL     1       3.481  -2.065   0.511  1.00  0.00           C  
HETATM   14  C   UNL     1       2.497  -3.202   0.140  1.00  0.00           C  
HETATM   15  O   UNL     1       2.813  -3.756  -1.139  1.00  0.00           O  
HETATM   16  C   UNL     1       1.145  -2.443   0.099  1.00  0.00           C  
HETATM   17  F   UNL     1       0.614  -2.323   1.388  1.00  0.00           F  
HETATM   18  C   UNL     1       1.539  -1.060  -0.461  1.00  0.00           C  
HETATM   19  C   UNL     1       0.750   0.019   0.235  1.00  0.00           C  
HETATM   20  O   UNL     1       1.324   0.872   0.878  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.595   0.035   0.143  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.362   1.084   0.819  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.833   0.876   0.561  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.580   0.094   1.423  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.926  -0.100   1.191  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.430   1.474  -0.535  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.776   1.289  -0.777  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.534   0.496   0.085  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.976   0.292  -0.169  1.00  0.00           C  
HETATM   30  S   UNL     1      -8.270   0.434   1.019  1.00  0.00           S  
HETATM   31  C   UNL     1      -9.426   0.043  -0.178  1.00  0.00           C  
HETATM   32  N   UNL     1      -8.846  -0.159  -1.314  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.538  -0.030  -1.354  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.734  -0.236  -2.612  1.00  0.00           C  
HETATM   35  H   UNL     1       8.012   1.058  -3.267  1.00  0.00           H  
HETATM   36  H   UNL     1       7.529   2.587  -2.493  1.00  0.00           H  
HETATM   37  H   UNL     1       9.027   1.768  -1.988  1.00  0.00           H  
HETATM   38  H   UNL     1       5.446   1.676  -1.731  1.00  0.00           H  
HETATM   39  H   UNL     1       5.573  -0.708  -0.049  1.00  0.00           H  
HETATM   40  H   UNL     1       4.766  -0.709   2.393  1.00  0.00           H  
HETATM   41  H   UNL     1       4.388   0.849   3.167  1.00  0.00           H  
HETATM   42  H   UNL     1       3.352   0.231   1.858  1.00  0.00           H  
HETATM   43  H   UNL     1       7.320   1.540   0.940  1.00  0.00           H  
HETATM   44  H   UNL     1       6.766   1.542   2.632  1.00  0.00           H  
HETATM   45  H   UNL     1       7.049  -0.001   1.789  1.00  0.00           H  
HETATM   46  H   UNL     1       3.719   2.452   0.696  1.00  0.00           H  
HETATM   47  H   UNL     1       4.820   2.974   1.993  1.00  0.00           H  
HETATM   48  H   UNL     1       5.375   2.973   0.302  1.00  0.00           H  
HETATM   49  H   UNL     1       4.489  -2.310   0.175  1.00  0.00           H  
HETATM   50  H   UNL     1       3.473  -1.889   1.586  1.00  0.00           H  
HETATM   51  H   UNL     1       2.489  -3.977   0.907  1.00  0.00           H  
HETATM   52  H   UNL     1       3.692  -4.156  -1.189  1.00  0.00           H  
HETATM   53  H   UNL     1       0.438  -2.941  -0.566  1.00  0.00           H  
HETATM   54  H   UNL     1       1.351  -1.027  -1.534  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.054  -0.647  -0.371  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.173   1.038   1.892  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.060   2.059   0.438  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.109  -0.367   2.278  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.509  -0.712   1.864  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.842   2.087  -1.202  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.241   1.756  -1.633  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.490  -0.025  -0.009  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.565   0.725  -3.097  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.775  -0.689  -2.359  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.279  -0.894  -3.288  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   38                                            
CONECT    5   10    6    4   39                                       
CONECT    6    7    5    8    9                                       
CONECT    7    6   40   41   42                                       
CONECT    8    6   43   44   45                                       
CONECT    9    6   46   47   48                                       
CONECT   10   12   11   11    5                                       
CONECT   11   10   10                                                 
CONECT   12   18   13   10                                            
CONECT   13   14   12   49   50                                       
CONECT   14   16   15   13   51                                       
CONECT   15   14   52                                                 
CONECT   16   17   18   14   53                                       
CONECT   17   16                                                      
CONECT   18   16   19   12   54                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   55                                            
CONECT   22   23   21   56   57                                       
CONECT   23   24   24   26   22                                       
CONECT   24   25   23   23   58                                       
CONECT   25   28   28   24   59                                       
CONECT   26   27   27   23   60                                       
CONECT   27   28   26   26   61                                       
CONECT   28   29   25   25   27                                       
CONECT   29   33   33   30   28                                       
CONECT   30   31   29                                                 
CONECT   31   32   32   30   62                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   29   29                                       
CONECT   34   33   63   64   65                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   31                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
