COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      37.987  22.412 -11.610  1.00  0.00           O  
HETATM    2  C   UNL     1      40.739  21.337 -14.073  1.00  0.00           C  
HETATM    3  C   UNL     1      38.809  16.560  -3.606  1.00  0.00           C  
HETATM    4  C   UNL     1      38.362  17.314  -4.673  1.00  0.00           C  
HETATM    5  N   UNL     1      40.079  23.826 -13.911  1.00  0.00           N  
HETATM    6  C   UNL     1      40.820  22.749 -14.757  1.00  0.00           C  
HETATM    7  O   UNL     1      34.849  19.389  -4.485  1.00  0.00           O  
HETATM    8  N   UNL     1      30.369  20.688  -2.846  1.00  0.00           N  
HETATM    9  C   UNL     1      38.057  16.508  -2.468  1.00  0.00           C  
HETATM   10  C   UNL     1      36.900  17.232  -2.323  1.00  0.00           C  
HETATM   11  C   UNL     1      33.872  18.132  -2.733  1.00  0.00           C  
HETATM   12  N   UNL     1      34.907  23.858  -9.977  1.00  0.00           N  
HETATM   13  C   UNL     1      35.208  18.870  -3.190  1.00  0.00           C  
HETATM   14  C   UNL     1      37.219  18.076  -4.551  1.00  0.00           C  
HETATM   15  C   UNL     1      36.450  18.057  -3.380  1.00  0.00           C  
HETATM   16  C   UNL     1      32.677  19.005  -2.826  1.00  0.00           C  
HETATM   17  C   UNL     1      31.729  18.928  -3.843  1.00  0.00           C  
HETATM   18  C   UNL     1      34.619  21.128  -6.100  1.00  0.00           C  
HETATM   19  C   UNL     1      34.887  20.736  -4.690  1.00  0.00           C  
HETATM   20  C   UNL     1      32.320  19.917  -1.747  1.00  0.00           C  
HETATM   21  C   UNL     1      31.216  20.703  -1.798  1.00  0.00           C  
HETATM   22  C   UNL     1      30.624  19.819  -3.858  1.00  0.00           C  
HETATM   23  O   UNL     1      29.125  21.606  -2.963  1.00  0.00           O  
HETATM   24  C   UNL     1      34.238  22.743  -8.028  1.00  0.00           C  
HETATM   25  C   UNL     1      38.601  23.367 -13.850  1.00  0.00           C  
HETATM   26  C   UNL     1      38.548  22.093 -12.942  1.00  0.00           C  
HETATM   27  C   UNL     1      36.673  22.986 -11.288  1.00  0.00           C  
HETATM   28  C   UNL     1      36.350  23.480  -9.875  1.00  0.00           C  
HETATM   29  C   UNL     1      34.214  24.094  -8.759  1.00  0.00           C  
HETATM   30  O   UNL     1      35.143  21.556  -3.878  1.00  0.00           O  
HETATM   31 CL   UNL     1      33.449  20.102  -0.428  1.00  0.00          Cl  
HETATM   32 CL   UNL     1      32.013  17.786  -5.148  1.00  0.00          Cl  
HETATM   33  O   UNL     1      39.972  15.846  -3.765  1.00  0.00           O  
HETATM   34  C   UNL     1      40.366  14.979  -2.712  1.00  0.00           C  
HETATM   35  O   UNL     1      39.107  17.305  -5.811  1.00  0.00           O  
HETATM   36  C   UNL     1      38.958  18.225  -6.898  1.00  0.00           C  
HETATM   37  C   UNL     1      34.221  20.486  -7.202  1.00  0.00           C  
HETATM   38  C   UNL     1      33.989  21.438  -8.298  1.00  0.00           C  
HETATM   39  S   UNL     1      34.748  22.851  -6.363  1.00  0.00           S  
HETATM   40  C   UNL     1      37.388  24.501  -9.649  1.00  0.00           C  
HETATM   41  C   UNL     1      37.205  25.835 -10.032  1.00  0.00           C  
HETATM   42  C   UNL     1      38.237  26.770  -9.876  1.00  0.00           C  
HETATM   43  C   UNL     1      39.478  26.321  -9.400  1.00  0.00           C  
HETATM   44  C   UNL     1      39.673  24.981  -9.038  1.00  0.00           C  
HETATM   45  C   UNL     1      38.640  24.068  -9.180  1.00  0.00           C  
HETATM   46  O   UNL     1      35.878  23.091 -12.157  1.00  0.00           O  
HETATM   47  C   UNL     1      40.015  21.548 -12.714  1.00  0.00           C  
HETATM   48  C   UNL     1      40.874  22.588 -11.861  1.00  0.00           C  
HETATM   49  C   UNL     1      40.779  23.991 -12.569  1.00  0.00           C  
HETATM   50  H   UNL     1      40.167  20.641 -14.704  1.00  0.00           H  
HETATM   51  H   UNL     1      41.750  20.936 -13.907  1.00  0.00           H  
HETATM   52  H   UNL     1      41.876  23.038 -14.860  1.00  0.00           H  
HETATM   53  H   UNL     1      40.356  22.693 -15.753  1.00  0.00           H  
HETATM   54  H   UNL     1      38.383  15.876  -1.655  1.00  0.00           H  
HETATM   55  H   UNL     1      36.335  17.172  -1.405  1.00  0.00           H  
HETATM   56  H   UNL     1      33.717  17.253  -3.377  1.00  0.00           H  
HETATM   57  H   UNL     1      33.989  17.806  -1.689  1.00  0.00           H  
HETATM   58  H   UNL     1      34.852  24.695 -10.522  1.00  0.00           H  
HETATM   59  H   UNL     1      35.408  19.693  -2.488  1.00  0.00           H  
HETATM   60  H   UNL     1      36.910  18.701  -5.376  1.00  0.00           H  
HETATM   61  H   UNL     1      31.008  21.364  -0.970  1.00  0.00           H  
HETATM   62  H   UNL     1      29.959  19.805  -4.709  1.00  0.00           H  
HETATM   63  H   UNL     1      29.066  22.159  -2.193  1.00  0.00           H  
HETATM   64  H   UNL     1      37.977  24.163 -13.419  1.00  0.00           H  
HETATM   65  H   UNL     1      38.240  23.125 -14.860  1.00  0.00           H  
HETATM   66  H   UNL     1      37.947  21.316 -13.438  1.00  0.00           H  
HETATM   67  H   UNL     1      36.470  22.651  -9.162  1.00  0.00           H  
HETATM   68  H   UNL     1      34.726  24.866  -8.165  1.00  0.00           H  
HETATM   69  H   UNL     1      33.179  24.410  -8.957  1.00  0.00           H  
HETATM   70  H   UNL     1      41.308  14.479  -2.981  1.00  0.00           H  
HETATM   71  H   UNL     1      40.510  15.563  -1.791  1.00  0.00           H  
HETATM   72  H   UNL     1      39.584  14.223  -2.548  1.00  0.00           H  
HETATM   73  H   UNL     1      39.689  17.986  -7.684  1.00  0.00           H  
HETATM   74  H   UNL     1      37.940  18.147  -7.308  1.00  0.00           H  
HETATM   75  H   UNL     1      39.130  19.250  -6.537  1.00  0.00           H  
HETATM   76  H   UNL     1      34.088  19.417  -7.277  1.00  0.00           H  
HETATM   77  H   UNL     1      33.639  21.115  -9.267  1.00  0.00           H  
HETATM   78  H   UNL     1      36.260  26.146 -10.452  1.00  0.00           H  
HETATM   79  H   UNL     1      38.081  27.811 -10.116  1.00  0.00           H  
HETATM   80  H   UNL     1      40.297  27.020  -9.311  1.00  0.00           H  
HETATM   81  H   UNL     1      40.628  24.660  -8.649  1.00  0.00           H  
HETATM   82  H   UNL     1      38.796  23.029  -8.931  1.00  0.00           H  
HETATM   83  H   UNL     1      39.966  20.593 -12.171  1.00  0.00           H  
HETATM   84  H   UNL     1      40.471  22.657 -10.840  1.00  0.00           H  
HETATM   85  H   UNL     1      41.923  22.261 -11.820  1.00  0.00           H  
HETATM   86  H   UNL     1      41.791  24.392 -12.728  1.00  0.00           H  
HETATM   87  H   UNL     1      40.205  24.684 -11.937  1.00  0.00           H  
CONECT    1   26   27                                                 
CONECT    2    6   47   50   51                                       
CONECT    3    4   33    9    9                                       
CONECT    4   35   14   14    3                                       
CONECT    5    6   25   49                                            
CONECT    6    2    5   52   53                                       
CONECT    7   19   13                                                 
CONECT    8   22   23   21   21                                       
CONECT    9    3    3   10   54                                       
CONECT   10   15   15    9   55                                       
CONECT   11   13   16   56   57                                       
CONECT   12   28   29   58                                            
CONECT   13    7   15   11   59                                       
CONECT   14    4    4   15   60                                       
CONECT   15   14   13   10   10                                       
CONECT   16   17   11   20   20                                       
CONECT   17   32   22   22   16                                       
CONECT   18   37   37   39   19                                       
CONECT   19   18    7   30   30                                       
CONECT   20   16   16   21   31                                       
CONECT   21    8    8   20   61                                       
CONECT   22   17   17    8   62                                       
CONECT   23    8   63                                                 
CONECT   24   29   38   38   39                                       
CONECT   25    5   26   64   65                                       
CONECT   26   25   47    1   66                                       
CONECT   27   46   46    1   28                                       
CONECT   28   27   12   40   67                                       
CONECT   29   12   24   68   69                                       
CONECT   30   19   19                                                 
CONECT   31   20                                                      
CONECT   32   17                                                      
CONECT   33    3   34                                                 
CONECT   34   33   70   71   72                                       
CONECT   35   36    4                                                 
CONECT   36   35   73   74   75                                       
CONECT   37   38   18   18   76                                       
CONECT   38   24   24   37   77                                       
CONECT   39   24   18                                                 
CONECT   40   41   28   45   45                                       
CONECT   41   42   42   40   78                                       
CONECT   42   41   41   43   79                                       
CONECT   43   42   44   44   80                                       
CONECT   44   43   43   45   81                                       
CONECT   45   40   40   44   82                                       
CONECT   46   27   27                                                 
CONECT   47    2   26   48   83                                       
CONECT   48   47   49   84   85                                       
CONECT   49    5   48   86   87                                       
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
CONECT   87   49                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
