COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.551   1.542   0.562  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.320   0.610   0.665  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.107   2.041   0.050  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.622   3.567  -0.539  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.565   4.381  -0.565  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.806  -0.748   1.072  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.442  -0.437   0.324  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.085  -0.446   0.903  1.00  0.00           C  
HETATM    9  C   UNL     1       1.176  -0.251   0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       2.308  -0.318   1.144  1.00  0.00           C  
HETATM   11  C   UNL     1       4.789  -0.178   1.354  1.00  0.00           C  
HETATM   12  C   UNL     1       6.160   0.285  -0.555  1.00  0.00           C  
HETATM   13  C   UNL     1       7.525   0.494  -1.158  1.00  0.00           C  
HETATM   14  C   UNL     1       8.196   1.701  -0.498  1.00  0.00           C  
HETATM   15  C   UNL     1       9.605   1.872  -1.071  1.00  0.00           C  
HETATM   16  C   UNL     1      10.542   0.418   0.623  1.00  0.00           C  
HETATM   17  C   UNL     1       9.788  -0.509  -1.482  1.00  0.00           C  
HETATM   18  C   UNL     1       8.385  -0.751  -0.922  1.00  0.00           C  
HETATM   19  C   UNL     1       3.652  -0.111   0.551  1.00  0.00           C  
HETATM   20  C   UNL     1       6.037   0.020   0.797  1.00  0.00           C  
HETATM   21  C   UNL     1       5.035   0.340  -1.359  1.00  0.00           C  
HETATM   22  C   UNL     1       3.783   0.149  -0.812  1.00  0.00           C  
HETATM   23  C   UNL     1       2.182  -0.579   2.509  1.00  0.00           C  
HETATM   24  C   UNL     1       0.931  -0.772   3.064  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.194  -0.707   2.272  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.667  -0.867   2.559  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.114  -1.747  -0.012  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.451  -1.311  -1.279  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.734  -2.230  -2.276  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.679  -3.586  -2.005  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.342  -4.025  -0.739  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.053  -3.106   0.259  1.00  0.00           C  
HETATM   33  F   UNL     1      -5.064  -1.801  -3.514  1.00  0.00           F  
HETATM   34  N   UNL     1      -5.633   0.788   0.421  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.347   2.320  -0.206  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.358  -0.680   1.278  1.00  0.00           N  
HETATM   37  N   UNL     1      10.388   0.655  -0.819  1.00  0.00           N  
HETATM   38  O   UNL     1      -1.696  -0.235  -0.847  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.721  -3.537   1.505  1.00  0.00           O  
HETATM   40  S   UNL     1      -5.141   3.441  -0.126  1.00  0.00           S  
HETATM   41  H   UNL     1      -8.623   3.902  -0.771  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.580   5.432  -0.811  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.291  -1.056   1.999  1.00  0.00           H  
HETATM   44  H   UNL     1       1.272  -0.049  -0.716  1.00  0.00           H  
HETATM   45  H   UNL     1       4.694  -0.380   2.410  1.00  0.00           H  
HETATM   46  H   UNL     1       7.426   0.672  -2.229  1.00  0.00           H  
HETATM   47  H   UNL     1       7.610   2.598  -0.699  1.00  0.00           H  
HETATM   48  H   UNL     1       8.257   1.540   0.578  1.00  0.00           H  
HETATM   49  H   UNL     1       9.541   2.047  -2.145  1.00  0.00           H  
HETATM   50  H   UNL     1      10.091   2.722  -0.592  1.00  0.00           H  
HETATM   51  H   UNL     1      11.188  -0.446   0.782  1.00  0.00           H  
HETATM   52  H   UNL     1      10.988   1.296   1.090  1.00  0.00           H  
HETATM   53  H   UNL     1       9.565   0.228   1.066  1.00  0.00           H  
HETATM   54  H   UNL     1      10.407  -1.388  -1.303  1.00  0.00           H  
HETATM   55  H   UNL     1       9.724  -0.323  -2.555  1.00  0.00           H  
HETATM   56  H   UNL     1       8.450  -0.951   0.148  1.00  0.00           H  
HETATM   57  H   UNL     1       7.934  -1.606  -1.426  1.00  0.00           H  
HETATM   58  H   UNL     1       6.918  -0.031   1.419  1.00  0.00           H  
HETATM   59  H   UNL     1       5.137   0.547  -2.414  1.00  0.00           H  
HETATM   60  H   UNL     1       2.905   0.193  -1.440  1.00  0.00           H  
HETATM   61  H   UNL     1       3.062  -0.630   3.132  1.00  0.00           H  
HETATM   62  H   UNL     1       0.835  -0.975   4.120  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.866  -1.865   2.950  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.993  -0.112   3.275  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.495  -0.253  -1.491  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.899  -4.301  -2.783  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.299  -5.083  -0.528  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.247   0.042   0.503  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.773  -3.677   1.633  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6   34    1    1                                       
CONECT    3   34   35   35   40                                       
CONECT    4   35    5    5   41                                       
CONECT    5   40    4    4   42                                       
CONECT    6   36   27    2   43                                       
CONECT    7   38   38    8   36                                       
CONECT    8    9    7   25   25                                       
CONECT    9   10   10    8   44                                       
CONECT   10   19    9    9   23                                       
CONECT   11   20   20   19   45                                       
CONECT   12   13   21   21   20                                       
CONECT   13   18   14   12   46                                       
CONECT   14   15   13   47   48                                       
CONECT   15   37   14   49   50                                       
CONECT   16   37   51   52   53                                       
CONECT   17   37   18   54   55                                       
CONECT   18   17   13   56   57                                       
CONECT   19   22   22   11   10                                       
CONECT   20   12   11   11   58                                       
CONECT   21   12   12   22   59                                       
CONECT   22   21   19   19   60                                       
CONECT   23   10   24   24   61                                       
CONECT   24   23   23   25   62                                       
CONECT   25    8    8   24   26                                       
CONECT   26   25   36   63   64                                       
CONECT   27   32    6   28   28                                       
CONECT   28   27   27   29   65                                       
CONECT   29   30   30   28   33                                       
CONECT   30   31   29   29   66                                       
CONECT   31   32   32   30   67                                       
CONECT   32   39   31   31   27                                       
CONECT   33   29                                                      
CONECT   34    2    3   68                                            
CONECT   35    3    3    4                                            
CONECT   36    7   26    6                                            
CONECT   37   17   16   15                                            
CONECT   38    7    7                                                 
CONECT   39   32   69                                                 
CONECT   40    3    5                                                 
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
