COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.599   1.793  -0.570  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.850   2.872  -1.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.996   4.103  -0.388  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.893   4.255   0.655  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.643   3.173   1.085  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.496   1.944   0.472  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.346  -1.144   0.088  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.232  -1.827   0.858  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.607  -1.328   0.480  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.397  -0.315  -0.562  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.074  -0.217  -0.781  1.00  0.00           C  
HETATM   12  C   UNL     1       3.063  -1.111  -0.139  1.00  0.00           C  
HETATM   13  C   UNL     1       2.235  -0.027   0.124  1.00  0.00           C  
HETATM   14  C   UNL     1       2.769   1.259   0.090  1.00  0.00           C  
HETATM   15  C   UNL     1       4.104   1.449  -0.198  1.00  0.00           C  
HETATM   16  C   UNL     1       4.927   0.360  -0.455  1.00  0.00           C  
HETATM   17  C   UNL     1       4.398  -0.925  -0.424  1.00  0.00           C  
HETATM   18  C   UNL     1       0.124  -1.306   0.125  1.00  0.00           C  
HETATM   19  N   UNL     1       0.888  -0.200   0.429  1.00  0.00           N  
HETATM   20  S   UNL     1       2.377  -2.737  -0.110  1.00  0.00           S  
HETATM   21  C   UNL     1       0.625  -2.512  -0.138  1.00  0.00           C  
HETATM   22  O   UNL     1       2.729  -3.350  -1.344  1.00  0.00           O  
HETATM   23  O   UNL     1       2.697  -3.293   1.158  1.00  0.00           O  
HETATM   24  N   UNL     1       6.282   0.556  -0.745  1.00  0.00           N  
HETATM   25  S   UNL     1       7.180   1.607   0.166  1.00  0.00           S  
HETATM   26  C   UNL     1       7.212   0.861   1.819  1.00  0.00           C  
HETATM   27  O   UNL     1       8.472   1.566  -0.424  1.00  0.00           O  
HETATM   28  O   UNL     1       6.416   2.805   0.175  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.941  -2.766   1.779  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.556   0.534  -1.586  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.443   0.453  -1.241  1.00  0.00           C  
HETATM   32  F   UNL     1      -5.037   5.458   1.254  1.00  0.00           F  
HETATM   33  C   UNL     1      -3.179   5.280  -0.857  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.453  -2.479  -0.068  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.460  -3.631   0.939  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.306  -4.782   0.392  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.886  -1.994  -0.298  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.860  -2.963  -1.392  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.150   2.754  -1.813  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.343   3.291   1.899  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.080   1.100   0.808  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.096  -0.881   1.346  1.00  0.00           H  
HETATM   43  H   UNL     1       2.135   2.110   0.289  1.00  0.00           H  
HETATM   44  H   UNL     1       4.512   2.449  -0.223  1.00  0.00           H  
HETATM   45  H   UNL     1       5.033  -1.776  -0.622  1.00  0.00           H  
HETATM   46  H   UNL     1       0.446   0.525   0.898  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.030  -3.340  -0.363  1.00  0.00           H  
HETATM   48  H   UNL     1       6.695   0.076  -1.480  1.00  0.00           H  
HETATM   49  H   UNL     1       7.672  -0.126   1.764  1.00  0.00           H  
HETATM   50  H   UNL     1       7.789   1.494   2.493  1.00  0.00           H  
HETATM   51  H   UNL     1       6.193   0.765   2.194  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.005  -2.924   1.964  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.386  -0.091  -1.188  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.166   0.600  -2.285  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.720   5.809  -1.641  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.000   5.954  -0.020  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.225   4.926  -1.249  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.439  -3.976   1.103  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.883  -3.286   1.883  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.327  -4.437   0.228  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.884  -5.127  -0.552  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.311  -5.603   1.109  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.954  -1.509  -1.271  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.567  -2.845  -0.268  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.159  -1.283   0.482  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.839  -3.309  -1.228  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.463  -3.783  -1.782  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.855  -2.142  -2.110  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    1    1    3   39                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6   40                                       
CONECT    6    1    5    5   41                                       
CONECT    7    8    8   11   18                                       
CONECT    8    7    7    9   29                                       
CONECT    9    8   10   34   42                                       
CONECT   10    9   11   31                                            
CONECT   11    7   10   30   30                                       
CONECT   12   13   13   17   20                                       
CONECT   13   12   12   14   19                                       
CONECT   14   13   15   15   43                                       
CONECT   15   14   14   16   44                                       
CONECT   16   15   17   17   24                                       
CONECT   17   12   16   16   45                                       
CONECT   18    7   19   21   21                                       
CONECT   19   13   18   46                                            
CONECT   20   12   21   22   22                                       
CONECT   20   23   23                                                 
CONECT   21   18   18   20   47                                       
CONECT   22   20   20                                                 
CONECT   23   20   20                                                 
CONECT   24   16   25   48                                            
CONECT   25   24   26   27   27                                       
CONECT   25   28   28                                                 
CONECT   26   25   49   50   51                                       
CONECT   27   25   25                                                 
CONECT   28   25   25                                                 
CONECT   29    8   52                                                 
CONECT   30   11   11                                                 
CONECT   31    1   10   53   54                                       
CONECT   32    4                                                      
CONECT   33    3   55   56   57                                       
CONECT   34    9   35   37   38                                       
CONECT   35   34   36   58   59                                       
CONECT   36   35   60   61   62                                       
CONECT   37   34   63   64   65                                       
CONECT   38   34   66   67   68                                       
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
