COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.885   3.090  -1.050  1.00  0.00           C  
HETATM    2  C   UNL     1       3.409   1.881  -1.338  1.00  0.00           C  
HETATM    3  C   UNL     1       3.899   0.924  -0.280  1.00  0.00           C  
HETATM    4  C   UNL     1       3.973   1.668   1.028  1.00  0.00           C  
HETATM    5  C   UNL     1       3.397   2.946   1.202  1.00  0.00           C  
HETATM    6  C   UNL     1       3.506   1.488  -2.712  1.00  0.00           C  
HETATM    7  C   UNL     1       4.545   1.307   2.187  1.00  0.00           C  
HETATM    8  C   UNL     1       5.278   0.018   2.454  1.00  0.00           C  
HETATM    9  C   UNL     1       5.286   0.402  -0.658  1.00  0.00           C  
HETATM   10  C   UNL     1       5.215  -0.301  -2.015  1.00  0.00           C  
HETATM   11  C   UNL     1       2.938  -0.230  -0.155  1.00  0.00           C  
HETATM   12  C   UNL     1       3.409  -1.530  -0.209  1.00  0.00           C  
HETATM   13  C   UNL     1       2.533  -2.594  -0.095  1.00  0.00           C  
HETATM   14  C   UNL     1       1.182  -2.364   0.073  1.00  0.00           C  
HETATM   15  C   UNL     1       0.702  -1.057   0.128  1.00  0.00           C  
HETATM   16  C   UNL     1       1.590   0.011   0.018  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.238   1.253   1.466  1.00  0.00           O  
HETATM   18  S   UNL     1      -5.179  -0.031   0.860  1.00  0.00           S  
HETATM   19  O   UNL     1      -5.654  -1.184   1.540  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.840   0.031  -0.828  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.325   0.287  -0.776  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.804   1.583  -0.789  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.165   1.817  -0.742  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.048   0.754  -0.682  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.568  -0.542  -0.670  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.207  -0.776  -0.723  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.456  -0.331   0.646  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.985  -1.631   0.591  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.636  -1.872   0.423  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.580   0.733   0.527  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.230   0.503   0.359  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.749  -0.804   0.308  1.00  0.00           C  
HETATM   33  C   UNL     1       3.053  -4.007  -0.155  1.00  0.00           C  
HETATM   34  F   UNL     1       3.379  -4.439   1.135  1.00  0.00           F  
HETATM   35  F   UNL     1       2.070  -4.844  -0.693  1.00  0.00           F  
HETATM   36  F   UNL     1       4.195  -4.049  -0.963  1.00  0.00           F  
HETATM   37  C   UNL     1       6.267   1.574  -0.742  1.00  0.00           C  
HETATM   38  N   UNL     1       3.582   1.176  -3.801  1.00  0.00           N  
HETATM   39  N   UNL     1       2.469   3.872  -2.099  1.00  0.00           N  
HETATM   40  N   UNL     1       4.345   2.310   3.073  1.00  0.00           N  
HETATM   41  N   UNL     1       3.621   3.325   2.427  1.00  0.00           N  
HETATM   42  O   UNL     1       2.736   3.582   0.196  1.00  0.00           O  
HETATM   43  H   UNL     1       6.335   0.146   2.220  1.00  0.00           H  
HETATM   44  H   UNL     1       5.168  -0.252   3.504  1.00  0.00           H  
HETATM   45  H   UNL     1       4.861  -0.773   1.830  1.00  0.00           H  
HETATM   46  H   UNL     1       5.628  -0.304   0.099  1.00  0.00           H  
HETATM   47  H   UNL     1       6.044  -1.002  -2.106  1.00  0.00           H  
HETATM   48  H   UNL     1       4.272  -0.842  -2.095  1.00  0.00           H  
HETATM   49  H   UNL     1       5.277   0.440  -2.812  1.00  0.00           H  
HETATM   50  H   UNL     1       4.465  -1.714  -0.342  1.00  0.00           H  
HETATM   51  H   UNL     1       0.499  -3.196   0.161  1.00  0.00           H  
HETATM   52  H   UNL     1       1.223   1.026   0.060  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.352   0.835  -1.380  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.652  -0.919  -1.327  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.115   2.413  -0.835  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.540   2.830  -0.751  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.111   0.937  -0.645  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.258  -1.372  -0.624  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.833  -1.789  -0.718  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.673  -2.458   0.681  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.269  -2.887   0.381  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.954   1.745   0.567  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.547   1.335   0.266  1.00  0.00           H  
HETATM   64  H   UNL     1       6.318   2.074   0.225  1.00  0.00           H  
HETATM   65  H   UNL     1       7.255   1.202  -1.011  1.00  0.00           H  
HETATM   66  H   UNL     1       5.925   2.279  -1.499  1.00  0.00           H  
HETATM   67  H   UNL     1       2.557   3.549  -3.009  1.00  0.00           H  
HETATM   68  H   UNL     1       2.087   4.747  -1.929  1.00  0.00           H  
HETATM   69  H   UNL     1       4.648   2.326   3.994  1.00  0.00           H  
CONECT    1   42    2    2   39                                       
CONECT    2    3    1    1    6                                       
CONECT    3    4   11    9    2                                       
CONECT    4    7    7    5    3                                       
CONECT    5   41   41    4   42                                       
CONECT    6    2   38   38   38                                       
CONECT    7   40    8    4    4                                       
CONECT    8    7   43   44   45                                       
CONECT    9    3   10   37   46                                       
CONECT   10    9   47   48   49                                       
CONECT   11   16    3   12   12                                       
CONECT   12   11   11   13   50                                       
CONECT   13   14   14   12   33                                       
CONECT   14   15   13   13   51                                       
CONECT   15   32   16   16   14                                       
CONECT   16   15   15   11   52                                       
CONECT   17   18   18                                                 
CONECT   18   19   19   20   17                                       
CONECT   18   17   27                                                 
CONECT   19   18   18                                                 
CONECT   20   18   21   53   54                                       
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   55                                       
CONECT   23   22   22   24   56                                       
CONECT   24   25   25   23   57                                       
CONECT   25   26   24   24   58                                       
CONECT   26   21   21   25   59                                       
CONECT   27   18   28   28   30                                       
CONECT   28   27   27   29   60                                       
CONECT   29   28   32   32   61                                       
CONECT   30   27   31   31   62                                       
CONECT   31   30   30   32   63                                       
CONECT   32   29   29   31   15                                       
CONECT   33   13   36   34   35                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37    9   64   65   66                                       
CONECT   38    6    6    6                                            
CONECT   39    1   67   68                                            
CONECT   40   41    7   69                                            
CONECT   41   40    5    5                                            
CONECT   42    5    1                                                 
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
