COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.361  -0.734  -2.867  1.00  0.00           C  
HETATM    2  C   UNL     1       3.996   0.129   1.324  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.265  -2.816   0.952  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.224  -1.384   0.414  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.923  -0.770   0.268  1.00  0.00           C  
HETATM    6  C   UNL     1       0.435  -0.234  -0.035  1.00  0.00           C  
HETATM    7  C   UNL     1       0.451   0.851  -1.114  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.659   0.574  -2.131  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.724   1.723  -3.139  1.00  0.00           C  
HETATM   10  C   UNL     1       1.602  -0.032   0.897  1.00  0.00           C  
HETATM   11  C   UNL     1       5.238  -0.544   0.738  1.00  0.00           C  
HETATM   12  C   UNL     1       5.049  -2.062   0.748  1.00  0.00           C  
HETATM   13  C   UNL     1       3.943  -2.464  -0.203  1.00  0.00           C  
HETATM   14  C   UNL     1       5.934  -2.940  -1.301  1.00  0.00           C  
HETATM   15  C   UNL     1       6.306  -2.768   0.189  1.00  0.00           C  
HETATM   16  C   UNL     1       4.259   1.627   1.494  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.503  -0.650   0.822  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.717  -1.378   0.242  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.995  -0.644   0.650  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.955   0.788   0.112  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.741   1.516   0.692  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.462   0.782   0.284  1.00  0.00           C  
HETATM   23  F   UNL     1      -7.858   0.759  -1.284  1.00  0.00           F  
HETATM   24  F   UNL     1      -9.124   1.460   0.484  1.00  0.00           F  
HETATM   25  N   UNL     1      -0.816  -0.150   0.723  1.00  0.00           N  
HETATM   26  N   UNL     1       2.861  -0.067   0.418  1.00  0.00           N  
HETATM   27  N   UNL     1       4.467  -2.957  -1.339  1.00  0.00           N  
HETATM   28  O   UNL     1      -3.072  -0.693   0.964  1.00  0.00           O  
HETATM   29  O   UNL     1       2.757  -2.358   0.026  1.00  0.00           O  
HETATM   30  O   UNL     1       5.436   1.817   2.282  1.00  0.00           O  
HETATM   31  O   UNL     1       1.408   0.163   2.078  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.883  -1.397  -0.772  1.00  0.00           O  
HETATM   33  H   UNL     1      -0.314  -1.553  -2.149  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.151  -0.931  -3.592  1.00  0.00           H  
HETATM   35  H   UNL     1       0.595  -0.650  -3.385  1.00  0.00           H  
HETATM   36  H   UNL     1       3.766  -0.312   2.294  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.129  -3.335   0.539  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.354  -3.339   0.661  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.340  -2.794   2.039  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.149  -1.407  -0.673  1.00  0.00           H  
HETATM   41  H   UNL     1       0.511  -1.215  -0.504  1.00  0.00           H  
HETATM   42  H   UNL     1       0.286   1.824  -0.653  1.00  0.00           H  
HETATM   43  H   UNL     1       1.416   0.846  -1.620  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.614   0.490  -1.613  1.00  0.00           H  
HETATM   45  H   UNL     1       0.231   1.807  -3.657  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.514   1.526  -3.864  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.936   2.655  -2.615  1.00  0.00           H  
HETATM   48  H   UNL     1       5.387  -0.203  -0.286  1.00  0.00           H  
HETATM   49  H   UNL     1       6.110  -0.283   1.338  1.00  0.00           H  
HETATM   50  H   UNL     1       4.830  -2.411   1.757  1.00  0.00           H  
HETATM   51  H   UNL     1       6.317  -2.102  -1.883  1.00  0.00           H  
HETATM   52  H   UNL     1       6.332  -3.879  -1.683  1.00  0.00           H  
HETATM   53  H   UNL     1       7.189  -2.139   0.301  1.00  0.00           H  
HETATM   54  H   UNL     1       6.455  -3.736   0.668  1.00  0.00           H  
HETATM   55  H   UNL     1       3.408   2.091   1.993  1.00  0.00           H  
HETATM   56  S   UNL     1       4.493   2.388  -0.136  1.00  0.00           S  
HETATM   57  H   UNL     1      -5.578  -0.627   1.909  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.642  -1.401  -0.846  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.746  -2.398   0.625  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.860  -1.163   0.236  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.070  -0.621   1.737  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.712   2.536   0.308  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.816   1.539   1.779  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.597   1.301   0.697  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.387   0.760  -0.803  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.847   0.351   1.553  1.00  0.00           H  
HETATM   67  H   UNL     1       3.016  -0.223  -0.527  1.00  0.00           H  
HETATM   68  H   UNL     1       3.943  -3.281  -2.087  1.00  0.00           H  
HETATM   69  H   UNL     1       5.381   1.434   3.168  1.00  0.00           H  
HETATM   70  O   UNL     1       4.449   3.805  -0.035  1.00  0.00           O  
HETATM   71  O   UNL     1       5.537   1.736  -0.846  1.00  0.00           O  
HETATM   72  O   UNL     1       3.232   2.028  -0.908  1.00  0.00           O  
HETATM   73  H   UNL     1       3.212   2.372  -1.811  1.00  0.00           H  
CONECT    1    8   33   34   35                                       
CONECT    2   26   11   16   36                                       
CONECT    3    4   37   38   39                                       
CONECT    4   17    3   28   40                                       
CONECT    5   28   25   32   32                                       
CONECT    6   25   10    7   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9    1   44                                       
CONECT    9    8   45   46   47                                       
CONECT   10   31   31    6   26                                       
CONECT   11   12    2   48   49                                       
CONECT   12   15   13   11   50                                       
CONECT   13   27   12   29   29                                       
CONECT   14   15   27   51   52                                       
CONECT   15   14   12   53   54                                       
CONECT   16    2   30   55   56                                       
CONECT   17   18   22    4   57                                       
CONECT   18   19   17   58   59                                       
CONECT   19   20   18   60   61                                       
CONECT   20   24   19   21   23                                       
CONECT   21   20   22   62   63                                       
CONECT   22   21   17   64   65                                       
CONECT   23   20                                                      
CONECT   24   20                                                      
CONECT   25    5    6   66                                            
CONECT   26   10    2   67                                            
CONECT   27   14   13   68                                            
CONECT   28    4    5                                                 
CONECT   29   13   13                                                 
CONECT   30   16   69                                                 
CONECT   31   10   10                                                 
CONECT   32    5    5                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16   70   70   71                                       
CONECT   56   71   72                                                 
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   56   56                                                 
CONECT   71   56   56                                                 
CONECT   72   56   73                                                 
CONECT   73   72                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
