COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.607  16.560  82.417  1.00  0.00           C  
HETATM    2  C   UNL     1      20.899  17.163  81.925  1.00  0.00           C  
HETATM    3  C   UNL     1      22.052  16.356  82.413  1.00  0.00           C  
HETATM    4  N   UNL     1      21.744  15.113  82.806  1.00  0.00           N  
HETATM    5  S   UNL     1      19.947  14.803  82.619  1.00  0.00           S  
HETATM    6  O   UNL     1      19.248  14.287  84.043  1.00  0.00           O  
HETATM    7  O   UNL     1      19.522  13.849  81.269  1.00  0.00           O  
HETATM    8  O   UNL     1      23.208  16.765  82.443  1.00  0.00           O  
HETATM    9  C   UNL     1      18.430  16.813  81.495  1.00  0.00           C  
HETATM   10  C   UNL     1      18.625  16.822  80.036  1.00  0.00           C  
HETATM   11  C   UNL     1      17.492  17.097  79.149  1.00  0.00           C  
HETATM   12  C   UNL     1      16.165  17.359  79.720  1.00  0.00           C  
HETATM   13  C   UNL     1      15.969  17.347  81.180  1.00  0.00           C  
HETATM   14  C   UNL     1      17.099  17.074  82.061  1.00  0.00           C  
HETATM   15  C   UNL     1      15.002  17.626  78.816  1.00  0.00           C  
HETATM   16  C   UNL     1      16.596  21.922  78.544  1.00  0.00           C  
HETATM   17  C   UNL     1      16.242  21.552  77.185  1.00  0.00           C  
HETATM   18  N   UNL     1      15.936  21.013  79.401  1.00  0.00           N  
HETATM   19  C   UNL     1      15.206  20.120  78.592  1.00  0.00           C  
HETATM   20  N   UNL     1      15.384  20.431  77.224  1.00  0.00           N  
HETATM   21  C   UNL     1      19.200  25.196  79.977  1.00  0.00           C  
HETATM   22  C   UNL     1      18.497  24.320  80.939  1.00  0.00           C  
HETATM   23  C   UNL     1      17.632  23.230  80.448  1.00  0.00           C  
HETATM   24  C   UNL     1      17.466  23.014  78.994  1.00  0.00           C  
HETATM   25  C   UNL     1      18.168  23.893  78.034  1.00  0.00           C  
HETATM   26  C   UNL     1      19.034  24.981  78.527  1.00  0.00           C  
HETATM   27  C   UNL     1      14.329  18.965  79.093  1.00  0.00           C  
HETATM   28  N   UNL     1      13.052  18.948  78.383  1.00  0.00           N  
HETATM   29  S   UNL     1      11.856  20.103  78.739  1.00  0.00           S  
HETATM   30  O   UNL     1      10.486  19.132  78.271  1.00  0.00           O  
HETATM   31  O   UNL     1      11.818  20.481  80.418  1.00  0.00           O  
HETATM   32  C   UNL     1      11.522  21.698  73.748  1.00  0.00           C  
HETATM   33  C   UNL     1      11.955  22.018  75.114  1.00  0.00           C  
HETATM   34  C   UNL     1      12.712  23.252  75.375  1.00  0.00           C  
HETATM   35  C   UNL     1      11.629  21.112  76.215  1.00  0.00           C  
HETATM   36  C   UNL     1      12.058  21.437  77.576  1.00  0.00           C  
HETATM   37  C   UNL     1      12.810  22.666  77.841  1.00  0.00           C  
HETATM   38  C   UNL     1      13.138  23.573  76.739  1.00  0.00           C  
HETATM   39  F   UNL     1      10.738  20.439  73.562  1.00  0.00           F  
HETATM   40  F   UNL     1      12.700  21.564  72.828  1.00  0.00           F  
HETATM   41  F   UNL     1      10.563  22.733  73.210  1.00  0.00           F  
HETATM   42  H   UNL     1      19.298  17.030  83.362  1.00  0.00           H  
HETATM   43  H   UNL     1      20.901  17.173  80.825  1.00  0.00           H  
HETATM   44  H   UNL     1      20.988  18.191  82.307  1.00  0.00           H  
HETATM   45  H   UNL     1      22.403  14.446  83.153  1.00  0.00           H  
HETATM   46  H   UNL     1      19.602  16.626  79.620  1.00  0.00           H  
HETATM   47  H   UNL     1      16.957  17.064  83.132  1.00  0.00           H  
HETATM   48  H   UNL     1      17.632  17.107  78.078  1.00  0.00           H  
HETATM   49  H   UNL     1      14.991  17.540  81.597  1.00  0.00           H  
HETATM   50  H   UNL     1      15.365  17.629  77.778  1.00  0.00           H  
HETATM   51  H   UNL     1      14.256  16.837  78.994  1.00  0.00           H  
HETATM   52  H   UNL     1      14.178  19.114  80.172  1.00  0.00           H  
HETATM   53  H   UNL     1      16.580  22.053  76.290  1.00  0.00           H  
HETATM   54  H   UNL     1      14.983  19.954  76.442  1.00  0.00           H  
HETATM   55  H   UNL     1      19.835  25.993  80.336  1.00  0.00           H  
HETATM   56  H   UNL     1      18.617  24.478  82.001  1.00  0.00           H  
HETATM   57  H   UNL     1      19.547  25.621  77.825  1.00  0.00           H  
HETATM   58  H   UNL     1      17.120  22.590  81.151  1.00  0.00           H  
HETATM   59  H   UNL     1      18.047  23.739  76.972  1.00  0.00           H  
HETATM   60  H   UNL     1      13.273  19.069  77.415  1.00  0.00           H  
HETATM   61  H   UNL     1      12.953  23.920  74.562  1.00  0.00           H  
HETATM   62  H   UNL     1      11.073  20.206  76.024  1.00  0.00           H  
HETATM   63  H   UNL     1      13.694  24.479  76.932  1.00  0.00           H  
HETATM   64  H   UNL     1      13.122  22.903  78.848  1.00  0.00           H  
CONECT    1    2    5    9   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   45                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   14   14                                       
CONECT   10    9   11   11   46                                       
CONECT   11   10   10   12   48                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   49                                       
CONECT   14    9    9   13   47                                       
CONECT   15   12   27   50   51                                       
CONECT   16   17   17   18   24                                       
CONECT   17   16   16   20   53                                       
CONECT   18   16   19   19                                            
CONECT   19   18   18   20   27                                       
CONECT   20   17   19   54                                            
CONECT   21   22   26   26   55                                       
CONECT   22   21   23   23   56                                       
CONECT   23   22   22   24   58                                       
CONECT   24   16   23   25   25                                       
CONECT   25   24   24   26   59                                       
CONECT   26   21   21   25   57                                       
CONECT   27   15   19   28   52                                       
CONECT   28   27   29   60                                            
CONECT   29   28   30   30   31                                       
CONECT   29   31   36                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   33   39   40   41                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   38   38   61                                       
CONECT   35   33   33   36   62                                       
CONECT   36   29   35   37   37                                       
CONECT   37   36   36   38   64                                       
CONECT   38   34   34   37   63                                       
CONECT   39   32                                                      
CONECT   40   32                                                      
CONECT   41   32                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46   10                                                      
CONECT   47   14                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   27                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   26                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   38                                                      
CONECT   64   37                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
