COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.002   0.224   0.671  1.00  0.00           C  
HETATM    2  C   UNL     1       0.097  -0.265   1.705  1.00  0.00           C  
HETATM    3  C   UNL     1       0.708   0.649   0.819  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.047   1.308  -0.107  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.889   0.569  -0.803  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.835  -1.259   0.427  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.731  -0.531   0.028  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.099  -0.896   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.163   0.934  -1.233  1.00  0.00           C  
HETATM   10  F   UNL     1      11.357  -3.249  -1.918  1.00  0.00           F  
HETATM   11  C   UNL     1      10.700  -2.254  -1.283  1.00  0.00           C  
HETATM   12  C   UNL     1      10.862  -2.076   0.080  1.00  0.00           C  
HETATM   13  C   UNL     1      10.190  -1.058   0.728  1.00  0.00           C  
HETATM   14  C   UNL     1       9.867  -1.408  -1.997  1.00  0.00           C  
HETATM   15  C   UNL     1       9.196  -0.391  -1.346  1.00  0.00           C  
HETATM   16  C   UNL     1       9.355  -0.217   0.016  1.00  0.00           C  
HETATM   17  C   UNL     1       8.621   0.892   0.724  1.00  0.00           C  
HETATM   18  C   UNL     1       9.032   2.239   0.125  1.00  0.00           C  
HETATM   19  C   UNL     1       7.136   0.700   0.557  1.00  0.00           C  
HETATM   20  O   UNL     1       6.714  -0.245  -0.075  1.00  0.00           O  
HETATM   21  N   UNL     1       6.276   1.579   1.110  1.00  0.00           N  
HETATM   22  C   UNL     1       4.898   1.349   1.038  1.00  0.00           C  
HETATM   23  C   UNL     1       4.078   1.710   2.100  1.00  0.00           C  
HETATM   24  C   UNL     1       2.720   1.484   2.031  1.00  0.00           C  
HETATM   25  C   UNL     1       2.169   0.893   0.895  1.00  0.00           C  
HETATM   26  C   UNL     1       2.994   0.532  -0.169  1.00  0.00           C  
HETATM   27  C   UNL     1       4.351   0.764  -0.098  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.386   1.097  -0.179  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.245  -0.474   1.630  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.298   0.222   0.374  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.527   1.062  -0.632  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.392   1.620  -1.004  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.772   1.312  -1.204  1.00  0.00           N  
HETATM   34  O   UNL     1      -7.324   2.011  -2.049  1.00  0.00           O  
HETATM   35  C   UNL     1      -8.659   2.327  -2.450  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.264   0.199  -0.829  1.00  0.00           C  
HETATM   37  S   UNL     1      -9.502  -1.831   0.511  1.00  0.00           S  
HETATM   38  C   UNL     1     -10.041  -1.034   2.049  1.00  0.00           C  
HETATM   39  O   UNL     1     -10.457  -1.622  -0.520  1.00  0.00           O  
HETATM   40  O   UNL     1      -8.982  -3.127   0.776  1.00  0.00           O  
HETATM   41  H   UNL     1       0.689  -0.789   2.440  1.00  0.00           H  
HETATM   42  H   UNL     1       0.423   2.006  -0.784  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.711  -2.116   1.074  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.745  -0.817   0.363  1.00  0.00           H  
HETATM   45  H   UNL     1      11.514  -2.734   0.637  1.00  0.00           H  
HETATM   46  H   UNL     1      10.316  -0.919   1.792  1.00  0.00           H  
HETATM   47  H   UNL     1       9.743  -1.544  -3.061  1.00  0.00           H  
HETATM   48  H   UNL     1       8.546   0.269  -1.902  1.00  0.00           H  
HETATM   49  H   UNL     1       8.873   0.875   1.785  1.00  0.00           H  
HETATM   50  H   UNL     1       8.502   3.042   0.637  1.00  0.00           H  
HETATM   51  H   UNL     1      10.106   2.378   0.246  1.00  0.00           H  
HETATM   52  H   UNL     1       8.781   2.256  -0.936  1.00  0.00           H  
HETATM   53  H   UNL     1       6.613   2.371   1.558  1.00  0.00           H  
HETATM   54  H   UNL     1       4.505   2.168   2.980  1.00  0.00           H  
HETATM   55  H   UNL     1       2.083   1.765   2.857  1.00  0.00           H  
HETATM   56  H   UNL     1       2.570   0.073  -1.050  1.00  0.00           H  
HETATM   57  H   UNL     1       4.990   0.484  -0.922  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.725  -1.170   2.302  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.866   2.001  -1.880  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.085   1.482  -2.992  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.264   2.535  -1.567  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.646   3.204  -3.096  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.253   0.480  -1.161  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.296   0.006   1.849  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.915  -1.554   2.441  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.234  -1.077   2.782  1.00  0.00           H  
CONECT    1   29   30   30   28                                       
CONECT    2   29   29    3   41                                       
CONECT    3    2   25    4    4                                       
CONECT    4    3    3   28   42                                       
CONECT    5   33    9    9    7                                       
CONECT    6    7    7    8   43                                       
CONECT    7    5    6    6   44                                       
CONECT    8   36   36    6   37                                       
CONECT    9   34    5    5   36                                       
CONECT   10   11                                                      
CONECT   11   12   10   14   14                                       
CONECT   12   13   13   11   45                                       
CONECT   13   12   12   16   46                                       
CONECT   14   11   11   15   47                                       
CONECT   15   16   16   14   48                                       
CONECT   16   13   17   15   15                                       
CONECT   17   16   19   18   49                                       
CONECT   18   17   50   51   52                                       
CONECT   19   21   17   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   53                                            
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   54                                       
CONECT   24   25   25   23   55                                       
CONECT   25   26    3   24   24                                       
CONECT   26   27   27   25   56                                       
CONECT   27   26   26   22   57                                       
CONECT   28    1    4   32                                            
CONECT   29    2    2    1   58                                       
CONECT   30    1    1   31                                            
CONECT   31   30   32   32   33                                       
CONECT   32   28   31   31                                            
CONECT   33   31    5   59                                            
CONECT   34   35    9                                                 
CONECT   35   34   60   61   62                                       
CONECT   36    9    8    8   63                                       
CONECT   37    8   39   39   38                                       
CONECT   37   40   40                                                 
CONECT   38   37   64   65   66                                       
CONECT   39   37   37                                                 
CONECT   40   37   37                                                 
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
CONECT   59   33                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
