COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      17.492  45.698  17.730  1.00  0.00           C  
HETATM    2  C   UNL     1      18.128  45.866  12.428  1.00  0.00           C  
HETATM    3  C   UNL     1      16.259  45.755  10.945  1.00  0.00           C  
HETATM    4  C   UNL     1      17.924  47.221  12.588  1.00  0.00           C  
HETATM    5  C   UNL     1      13.083  47.518  13.878  1.00  0.00           C  
HETATM    6  C   UNL     1      17.481  44.409  16.929  1.00  0.00           C  
HETATM    7  C   UNL     1      17.489  44.731  15.439  1.00  0.00           C  
HETATM    8  C   UNL     1      19.275  45.183  13.160  1.00  0.00           C  
HETATM    9  C   UNL     1      17.295  45.131  11.608  1.00  0.00           C  
HETATM   10  C   UNL     1      16.052  47.110  11.108  1.00  0.00           C  
HETATM   11  C   UNL     1      16.888  47.845  11.924  1.00  0.00           C  
HETATM   12  C   UNL     1      13.533  48.614  12.836  1.00  0.00           C  
HETATM   13  C   UNL     1      12.645  48.297  15.137  1.00  0.00           C  
HETATM   14  C   UNL     1      14.338  47.111  14.673  1.00  0.00           C  
HETATM   15  C   UNL     1      17.183  50.159  15.148  1.00  0.00           C  
HETATM   16  C   UNL     1      18.694  50.072  15.223  1.00  0.00           C  
HETATM   17  C   UNL     1      19.097  50.332  16.651  1.00  0.00           C  
HETATM   18  N   UNL     1      18.529  49.298  17.468  1.00  0.00           N  
HETATM   19  C   UNL     1      17.085  49.204  17.497  1.00  0.00           C  
HETATM   20  C   UNL     1      16.535  49.125  16.065  1.00  0.00           C  
HETATM   21  C   UNL     1      19.467  48.442  18.182  1.00  0.00           C  
HETATM   22  C   UNL     1      19.147  47.264  19.119  1.00  0.00           C  
HETATM   23  N   UNL     1      18.756  46.101  18.310  1.00  0.00           N  
HETATM   24  S   UNL     1      19.080  45.443  14.938  1.00  0.00           S  
HETATM   25  C   UNL     1      14.922  47.806  10.355  1.00  0.00           C  
HETATM   26  S   UNL     1      13.346  47.814  11.235  1.00  0.00           S  
HETATM   27  N   UNL     1      14.225  48.602  15.206  1.00  0.00           N  
HETATM   28  C   UNL     1      15.040  49.413  16.041  1.00  0.00           C  
HETATM   29  O   UNL     1      14.594  50.388  16.528  1.00  0.00           O  
HETATM   30  O   UNL     1      20.611  48.675  18.032  1.00  0.00           O  
HETATM   31  O   UNL     1      16.495  46.302  17.853  1.00  0.00           O  
HETATM   32  C   UNL     1      18.158  47.722  20.197  1.00  0.00           C  
HETATM   33  N   UNL     1      17.381  46.677  20.822  1.00  0.00           N  
HETATM   34  C   UNL     1      17.779  45.343  21.218  1.00  0.00           C  
HETATM   35  C   UNL     1      16.642  44.557  21.844  1.00  0.00           C  
HETATM   36  S   UNL     1      16.015  43.231  21.355  1.00  0.00           S  
HETATM   37  C   UNL     1      14.853  42.895  22.324  1.00  0.00           C  
HETATM   38  C   UNL     1      14.779  43.939  23.317  1.00  0.00           C  
HETATM   39  C   UNL     1      15.914  45.002  23.007  1.00  0.00           C  
HETATM   40  O   UNL     1      18.860  44.904  21.055  1.00  0.00           O  
HETATM   41 CL   UNL     1      13.768  41.492  22.267  1.00  0.00          Cl  
HETATM   42  H   UNL     1      15.610  45.183  10.298  1.00  0.00           H  
HETATM   43  H   UNL     1      18.575  47.793  13.233  1.00  0.00           H  
HETATM   44  H   UNL     1      12.422  46.718  13.513  1.00  0.00           H  
HETATM   45  H   UNL     1      16.576  43.834  17.174  1.00  0.00           H  
HETATM   46  H   UNL     1      18.372  43.815  17.180  1.00  0.00           H  
HETATM   47  H   UNL     1      16.688  45.453  15.222  1.00  0.00           H  
HETATM   48  H   UNL     1      17.313  43.806  14.870  1.00  0.00           H  
HETATM   49  H   UNL     1      19.261  44.105  12.942  1.00  0.00           H  
HETATM   50  H   UNL     1      20.232  45.612  12.828  1.00  0.00           H  
HETATM   51  H   UNL     1      17.454  44.070  11.486  1.00  0.00           H  
HETATM   52  H   UNL     1      16.731  48.907  12.043  1.00  0.00           H  
HETATM   53  H   UNL     1      14.580  48.905  13.005  1.00  0.00           H  
HETATM   54  H   UNL     1      12.889  49.503  12.904  1.00  0.00           H  
HETATM   55  H   UNL     1      11.994  49.167  14.963  1.00  0.00           H  
HETATM   56  H   UNL     1      12.236  47.692  15.959  1.00  0.00           H  
HETATM   57  H   UNL     1      14.192  46.322  15.425  1.00  0.00           H  
HETATM   58  H   UNL     1      15.231  46.884  14.073  1.00  0.00           H  
HETATM   59  H   UNL     1      16.864  51.165  15.457  1.00  0.00           H  
HETATM   60  H   UNL     1      16.862  49.974  14.112  1.00  0.00           H  
HETATM   61  H   UNL     1      19.027  49.070  14.916  1.00  0.00           H  
HETATM   62  H   UNL     1      19.146  50.827  14.563  1.00  0.00           H  
HETATM   63  H   UNL     1      20.193  50.316  16.738  1.00  0.00           H  
HETATM   64  H   UNL     1      18.718  51.313  16.973  1.00  0.00           H  
HETATM   65  H   UNL     1      16.672  50.092  17.997  1.00  0.00           H  
HETATM   66  H   UNL     1      16.790  48.301  18.051  1.00  0.00           H  
HETATM   67  H   UNL     1      16.718  48.118  15.663  1.00  0.00           H  
HETATM   68  H   UNL     1      20.084  47.008  19.636  1.00  0.00           H  
HETATM   69  H   UNL     1      19.507  45.467  18.125  1.00  0.00           H  
HETATM   70  H   UNL     1      15.220  48.849  10.171  1.00  0.00           H  
HETATM   71  H   UNL     1      14.778  47.291   9.394  1.00  0.00           H  
HETATM   72  H   UNL     1      18.730  48.234  20.985  1.00  0.00           H  
HETATM   73  H   UNL     1      17.458  48.432  19.733  1.00  0.00           H  
HETATM   74  H   UNL     1      16.427  46.910  21.009  1.00  0.00           H  
HETATM   75  H   UNL     1      14.072  43.988  24.132  1.00  0.00           H  
HETATM   76  H   UNL     1      16.108  45.903  23.569  1.00  0.00           H  
CONECT    1    6   31   31   23                                       
CONECT    2    9    9    4    8                                       
CONECT    3   10   10    9   42                                       
CONECT    4   11   11    2   43                                       
CONECT    5   12   14   13   44                                       
CONECT    6    7    1   45   46                                       
CONECT    7   24    6   47   48                                       
CONECT    8    2   24   49   50                                       
CONECT    9    3    2    2   51                                       
CONECT   10   25    3    3   11                                       
CONECT   11   10    4    4   52                                       
CONECT   12   26    5   53   54                                       
CONECT   13    5   27   55   56                                       
CONECT   14    5   27   57   58                                       
CONECT   15   16   20   59   60                                       
CONECT   16   15   17   61   62                                       
CONECT   17   16   18   63   64                                       
CONECT   18   17   19   21                                            
CONECT   19   20   18   65   66                                       
CONECT   20   15   28   19   67                                       
CONECT   21   18   30   30   22                                       
CONECT   22   21   23   32   68                                       
CONECT   23    1   22   69                                            
CONECT   24    8    7                                                 
CONECT   25   10   26   70   71                                       
CONECT   26   25   12                                                 
CONECT   27   14   13   28                                            
CONECT   28   27   20   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   21   21                                                 
CONECT   31    1    1                                                 
CONECT   32   22   33   72   73                                       
CONECT   33   32   34   74                                            
CONECT   34   33   40   40   35                                       
CONECT   35   34   36   39   39                                       
CONECT   36   35   37                                                 
CONECT   37   36   41   38   38                                       
CONECT   38   37   37   39   75                                       
CONECT   39   35   35   38   76                                       
CONECT   40   34   34                                                 
CONECT   41   37                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
