COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.711   1.171   0.058  1.00  0.00           C  
HETATM    2  C   UNL     1       2.653  -0.091  -0.530  1.00  0.00           C  
HETATM    3  C   UNL     1       1.433  -0.656  -0.866  1.00  0.00           C  
HETATM    4  C   UNL     1       0.247   0.028  -0.621  1.00  0.00           C  
HETATM    5  C   UNL     1       0.311   1.301  -0.033  1.00  0.00           C  
HETATM    6  C   UNL     1       1.547   1.865   0.306  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.916  -0.584  -0.965  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.065   0.131  -0.969  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.135   1.481  -0.371  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.931   2.070   0.233  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.290  -0.132  -1.441  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.116   0.932  -1.185  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.427   1.921  -0.534  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.950   3.095   0.892  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.969   3.212  -0.092  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.697  -1.401  -2.144  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.073  -2.444  -1.122  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.381  -2.540  -0.684  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.729  -3.497   0.255  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.758  -4.361   0.755  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.450  -4.260   0.311  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.111  -3.305  -0.630  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.924  -3.796   0.843  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.595  -4.579   2.006  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.345  -5.199   1.659  1.00  0.00           O  
HETATM   26  S   UNL     1      -3.060   4.472   0.739  1.00  0.00           S  
HETATM   27  C   UNL     1      -4.509   5.473   0.796  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.507   4.800   0.209  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.201   3.613  -0.256  1.00  0.00           N  
HETATM   30  F   UNL     1       1.598   3.087   0.881  1.00  0.00           F  
HETATM   31  N   UNL     1       3.830  -0.789  -0.782  1.00  0.00           N  
HETATM   32  C   UNL     1       5.123  -0.197  -0.429  1.00  0.00           C  
HETATM   33  C   UNL     1       6.247  -1.163  -0.808  1.00  0.00           C  
HETATM   34  N   UNL     1       7.543  -0.569  -0.455  1.00  0.00           N  
HETATM   35  C   UNL     1       8.652  -1.355  -1.015  1.00  0.00           C  
HETATM   36  C   UNL     1       9.978  -0.661  -0.693  1.00  0.00           C  
HETATM   37  N   UNL     1      10.115  -0.524   0.764  1.00  0.00           N  
HETATM   38  C   UNL     1       9.006   0.261   1.323  1.00  0.00           C  
HETATM   39  C   UNL     1       7.680  -0.432   1.001  1.00  0.00           C  
HETATM   40  C   UNL     1      10.206  -1.841   1.410  1.00  0.00           C  
HETATM   41  H   UNL     1       3.665   1.602   0.322  1.00  0.00           H  
HETATM   42  H   UNL     1       1.403  -1.635  -1.321  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.053   0.978  -1.430  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.552  -1.200  -2.789  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.865  -1.766  -2.746  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.131  -1.868  -1.074  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.695  -4.928   0.698  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.090  -3.227  -0.975  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.473  -3.936   2.878  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.580   6.460   1.229  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.502   5.210   0.121  1.00  0.00           H  
HETATM   52  H   UNL     1       3.794  -1.668  -1.190  1.00  0.00           H  
HETATM   53  H   UNL     1       5.252   0.741  -0.970  1.00  0.00           H  
HETATM   54  H   UNL     1       5.155  -0.005   0.643  1.00  0.00           H  
HETATM   55  H   UNL     1       6.117  -2.101  -0.268  1.00  0.00           H  
HETATM   56  H   UNL     1       6.215  -1.354  -1.881  1.00  0.00           H  
HETATM   57  H   UNL     1       8.648  -2.353  -0.577  1.00  0.00           H  
HETATM   58  H   UNL     1       8.534  -1.431  -2.095  1.00  0.00           H  
HETATM   59  H   UNL     1      10.804  -1.257  -1.082  1.00  0.00           H  
HETATM   60  H   UNL     1       9.993   0.326  -1.154  1.00  0.00           H  
HETATM   61  H   UNL     1       9.123   0.338   2.404  1.00  0.00           H  
HETATM   62  H   UNL     1       9.010   1.259   0.885  1.00  0.00           H  
HETATM   63  H   UNL     1       6.854   0.163   1.390  1.00  0.00           H  
HETATM   64  H   UNL     1       7.665  -1.420   1.462  1.00  0.00           H  
HETATM   65  H   UNL     1      11.075  -2.375   1.026  1.00  0.00           H  
HETATM   66  H   UNL     1      10.307  -1.710   2.487  1.00  0.00           H  
HETATM   67  H   UNL     1       9.304  -2.414   1.196  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.363  -5.331   2.190  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2   31    3    1    1                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    7    5                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5   30                                       
CONECT    7    4    8                                                 
CONECT    8    7   11   11    9                                       
CONECT    9    8   13   13   10                                       
CONECT   10    5    9   14   14                                       
CONECT   11   16    8    8   12                                       
CONECT   12   11   13   43                                            
CONECT   13   12    9    9   15                                       
CONECT   14   10   10                                                 
CONECT   15   13   29   29   26                                       
CONECT   16   17   11   44   45                                       
CONECT   17   22   18   18   16                                       
CONECT   18   19   17   17   46                                       
CONECT   19   20   20   23   18                                       
CONECT   20   25   21   19   19                                       
CONECT   21   20   22   22   47                                       
CONECT   22   21   21   17   48                                       
CONECT   23   24   19                                                 
CONECT   24   25   23   49   68                                       
CONECT   25   24   20                                                 
CONECT   26   15   27                                                 
CONECT   27   26   28   28   50                                       
CONECT   28   29   27   27   51                                       
CONECT   29   15   15   28                                            
CONECT   30    6                                                      
CONECT   31   32    2   52                                            
CONECT   32   31   33   53   54                                       
CONECT   33   32   34   55   56                                       
CONECT   34   33   35   39                                            
CONECT   35   36   34   57   58                                       
CONECT   36   37   35   59   60                                       
CONECT   37   40   36   38                                            
CONECT   38   37   39   61   62                                       
CONECT   39   38   34   63   64                                       
CONECT   40   37   65   66   67                                       
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43   12                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   38                                                      
CONECT   62   38                                                      
CONECT   63   39                                                      
CONECT   64   39                                                      
CONECT   65   40                                                      
CONECT   66   40                                                      
CONECT   67   40                                                      
CONECT   68   24                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
