COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.251  -1.161  -0.956  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.896  -2.402   0.909  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.648   2.269   0.723  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.086   3.872  -1.005  1.00  0.00           C  
HETATM    5  C   UNL     1       1.984  -2.672  -1.338  1.00  0.00           C  
HETATM    6  C   UNL     1       4.012   1.301  -1.064  1.00  0.00           C  
HETATM    7  C   UNL     1       5.296  -0.036   0.497  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.755  -0.353   0.861  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.521  -0.938   1.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.397  -0.914   0.471  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.123   0.607   0.326  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.521   0.978   0.745  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.134   1.216   1.348  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.133   0.185   2.414  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.409   1.986   0.140  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.950  -1.086   0.407  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.370  -1.848  -1.375  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.194  -2.469  -0.446  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.786  -1.709   1.338  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.478   3.208   0.150  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.852   3.603  -1.582  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.017   2.661  -1.019  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.906   4.801  -1.564  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.290  -3.155  -0.865  1.00  0.00           O  
HETATM   25  N   UNL     1       2.129  -1.727  -0.228  1.00  0.00           N  
HETATM   26  C   UNL     1       3.146  -0.778  -0.252  1.00  0.00           C  
HETATM   27  C   UNL     1       3.013   0.363  -1.039  1.00  0.00           C  
HETATM   28  C   UNL     1       5.169   1.110  -0.298  1.00  0.00           C  
HETATM   29  C   UNL     1       4.289  -0.966   0.521  1.00  0.00           C  
HETATM   30  C   UNL     1       6.245   2.109  -0.327  1.00  0.00           C  
HETATM   31  C   UNL     1       5.946   3.427  -0.277  1.00  0.00           C  
HETATM   32  S   UNL     1       1.082  -1.787   1.053  1.00  0.00           S  
HETATM   33  O   UNL     1       1.733  -1.041   2.072  1.00  0.00           O  
HETATM   34  O   UNL     1       0.811  -3.172   1.219  1.00  0.00           O  
HETATM   35  C   UNL     1       2.948  -3.844  -1.138  1.00  0.00           C  
HETATM   36  F   UNL     1       4.255  -3.358  -1.020  1.00  0.00           F  
HETATM   37  F   UNL     1       2.603  -4.539   0.025  1.00  0.00           F  
HETATM   38  F   UNL     1       2.869  -4.705  -2.238  1.00  0.00           F  
HETATM   39  H   UNL     1      -3.610  -0.678  -1.679  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.541  -2.887   1.627  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.955   1.750   1.618  1.00  0.00           H  
HETATM   42  H   UNL     1       0.960  -3.045  -1.366  1.00  0.00           H  
HETATM   43  H   UNL     1       2.214  -2.169  -2.277  1.00  0.00           H  
HETATM   44  H   UNL     1       3.910   2.184  -1.678  1.00  0.00           H  
HETATM   45  H   UNL     1       6.186  -0.187   1.089  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.671  -1.894   2.055  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.752  -1.337  -0.469  1.00  0.00           H  
HETATM   48  H   UNL     1       0.903   0.846   0.604  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.340   0.947  -0.686  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.925   2.236   1.671  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.606  -1.903  -2.428  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.557  -1.653   2.392  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.435   3.428   0.600  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.551   4.121  -2.480  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.061   2.446  -1.473  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.513   4.443  -2.225  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.094  -2.619  -0.916  1.00  0.00           H  
HETATM   58  H   UNL     1       2.121   0.510  -1.630  1.00  0.00           H  
HETATM   59  H   UNL     1       4.385  -1.848   1.137  1.00  0.00           H  
HETATM   60  H   UNL     1       7.275   1.791  -0.389  1.00  0.00           H  
HETATM   61  H   UNL     1       6.709   4.162  -0.485  1.00  0.00           H  
HETATM   62  C   UNL     1       4.631   3.843   0.048  1.00  0.00           C  
HETATM   63  O   UNL     1       4.299   5.149  -0.027  1.00  0.00           O  
HETATM   64  C   UNL     1       2.956   5.497   0.315  1.00  0.00           C  
HETATM   65  O   UNL     1       3.802   3.023   0.394  1.00  0.00           O  
HETATM   66  H   UNL     1       2.755   5.202   1.345  1.00  0.00           H  
HETATM   67  H   UNL     1       2.823   6.574   0.213  1.00  0.00           H  
HETATM   68  H   UNL     1       2.266   4.981  -0.351  1.00  0.00           H  
CONECT    1   16   16   17   39                                       
CONECT    2   19   19   18   40                                       
CONECT    3   20   20   15   41                                       
CONECT    4   20   23   21   21                                       
CONECT    5   25   35   42   43                                       
CONECT    6   27   28   28   44                                       
CONECT    7   29   29   28   45                                       
CONECT    8   12   12    9   16                                       
CONECT    9   14   10    8   46                                       
CONECT   10   11   32    9   47                                       
CONECT   11   13   10   48   49                                       
CONECT   12   13   15    8    8                                       
CONECT   13   14   11   12   50                                       
CONECT   14   13    9                                                 
CONECT   15    3   12   22   22                                       
CONECT   16    8    1    1   19                                       
CONECT   17    1   18   18   51                                       
CONECT   18   17   17    2   24                                       
CONECT   19   16    2    2   52                                       
CONECT   20    3    3    4   53                                       
CONECT   21    4    4   22   54                                       
CONECT   22   15   15   21   55                                       
CONECT   23    4   56                                                 
CONECT   24   18   57                                                 
CONECT   25   32    5   26                                            
CONECT   26   25   27   27   29                                       
CONECT   27   26   26    6   58                                       
CONECT   28    6    6    7   30                                       
CONECT   29   26    7    7   59                                       
CONECT   30   28   31   31   60                                       
CONECT   31   30   30   61   62                                       
CONECT   32   33   33   34   34                                       
CONECT   32   10   25                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   36   38    5   37                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31   63   65   65                                       
CONECT   63   62   64                                                 
CONECT   64   63   66   67   68                                       
CONECT   65   62   62                                                 
CONECT   66   64                                                      
CONECT   67   64                                                      
CONECT   68   64                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
