COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.605   0.209  -0.679  1.00  0.00           C  
HETATM    2  C   UNL     1      11.042   0.098   0.670  1.00  0.00           C  
HETATM    3  C   UNL     1       8.640   0.011   0.707  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.270   0.317  -0.035  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.991   1.605  -0.453  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.298   1.077   2.378  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.810   1.988  -0.650  1.00  0.00           C  
HETATM    8 CL   UNL     1      -6.421  -0.057   1.899  1.00  0.00          Cl  
HETATM    9 CL   UNL     1      -4.152  -4.838   0.813  1.00  0.00          Cl  
HETATM   10  C   UNL     1       2.458  -3.279  -2.051  1.00  0.00           C  
HETATM   11  C   UNL     1       2.788  -1.832  -1.680  1.00  0.00           C  
HETATM   12  C   UNL     1       2.268  -0.894  -2.771  1.00  0.00           C  
HETATM   13  C   UNL     1       2.121  -1.483  -0.347  1.00  0.00           C  
HETATM   14  C   UNL     1       2.552  -0.080   0.086  1.00  0.00           C  
HETATM   15  N   UNL     1       3.984  -0.082   0.395  1.00  0.00           N  
HETATM   16  C   UNL     1       4.886   0.086  -0.592  1.00  0.00           C  
HETATM   17  C   UNL     1       6.323   0.084  -0.282  1.00  0.00           C  
HETATM   18  C   UNL     1       7.296   0.243  -1.185  1.00  0.00           C  
HETATM   19  C   UNL     1       9.830   0.351  -1.374  1.00  0.00           C  
HETATM   20  C   UNL     1      11.012   0.295  -0.706  1.00  0.00           C  
HETATM   21  C   UNL     1       9.869  -0.042   1.373  1.00  0.00           C  
HETATM   22  S   UNL     1       6.998  -0.134   1.323  1.00  0.00           S  
HETATM   23  O   UNL     1       4.511   0.240  -1.739  1.00  0.00           O  
HETATM   24  C   UNL     1       1.774   0.327   1.311  1.00  0.00           C  
HETATM   25  N   UNL     1       0.451   0.565   1.221  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.742   2.118   0.701  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.024   2.369   1.959  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.066   2.355   0.608  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.560   3.053  -1.720  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.899   4.340  -1.199  1.00  0.00           O  
HETATM   31  N   UNL     1      -5.245   1.910  -0.364  1.00  0.00           N  
HETATM   32  S   UNL     1      -6.178   0.767  -1.114  1.00  0.00           S  
HETATM   33  O   UNL     1      -5.875   0.848  -2.500  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.609  -0.810  -0.572  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.720  -1.165   0.761  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.273  -2.402   1.187  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.714  -3.285   0.280  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.603  -2.929  -1.053  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.055  -1.694  -1.479  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.493   0.919  -0.596  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.658   2.864   1.536  1.00  0.00           O  
HETATM   42  O   UNL     1       2.340   0.442   2.378  1.00  0.00           O  
HETATM   43  H   UNL     1      11.988   0.055   1.188  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.000  -0.479   0.113  1.00  0.00           H  
HETATM   45  H   UNL     1       0.437   0.026  -0.811  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.259   2.346  -0.773  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.677   1.390  -1.273  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.029   0.334   2.698  1.00  0.00           H  
HETATM   49  H   UNL     1       0.391   1.286   3.196  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.459   1.021  -1.011  1.00  0.00           H  
HETATM   51  H   UNL     1       1.378  -3.393  -2.145  1.00  0.00           H  
HETATM   52  H   UNL     1       2.933  -3.527  -3.001  1.00  0.00           H  
HETATM   53  H   UNL     1       2.828  -3.947  -1.274  1.00  0.00           H  
HETATM   54  H   UNL     1       3.868  -1.718  -1.586  1.00  0.00           H  
HETATM   55  H   UNL     1       1.188  -1.008  -2.864  1.00  0.00           H  
HETATM   56  H   UNL     1       2.503   0.137  -2.506  1.00  0.00           H  
HETATM   57  H   UNL     1       2.743  -1.142  -3.720  1.00  0.00           H  
HETATM   58  H   UNL     1       1.038  -1.511  -0.465  1.00  0.00           H  
HETATM   59  H   UNL     1       2.423  -2.206   0.410  1.00  0.00           H  
HETATM   60  H   UNL     1       2.355   0.626  -0.720  1.00  0.00           H  
HETATM   61  H   UNL     1       4.282  -0.205   1.310  1.00  0.00           H  
HETATM   62  H   UNL     1       7.088   0.391  -2.235  1.00  0.00           H  
HETATM   63  H   UNL     1       9.825   0.504  -2.443  1.00  0.00           H  
HETATM   64  H   UNL     1      11.939   0.405  -1.249  1.00  0.00           H  
HETATM   65  H   UNL     1       9.897  -0.195   2.441  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.733   2.659   2.735  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.296   3.166   1.809  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.509   3.042  -2.005  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.176   2.841  -2.594  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.766   5.065  -1.825  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.648   2.529   0.266  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.359  -2.680   2.227  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.167  -3.618  -1.761  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.973  -1.418  -2.520  1.00  0.00           H  
CONECT    1   18    3    3   19                                       
CONECT    2   21   21   20   43                                       
CONECT    3   22    1    1   21                                       
CONECT    4   25    5   44   45                                       
CONECT    5   26    4   46   47                                       
CONECT    6   27   25   48   49                                       
CONECT    7   29   28   31   50                                       
CONECT    8   35                                                      
CONECT    9   37                                                      
CONECT   10   11   51   52   53                                       
CONECT   11   12   13   10   54                                       
CONECT   12   11   55   56   57                                       
CONECT   13   11   14   58   59                                       
CONECT   14   24   13   15   60                                       
CONECT   15   14   16   61                                            
CONECT   16   15   23   23   17                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17    1   62                                       
CONECT   19    1   20   20   63                                       
CONECT   20   19   19    2   64                                       
CONECT   21    3    2    2   65                                       
CONECT   22   17    3                                                 
CONECT   23   16   16                                                 
CONECT   24   42   42   25   14                                       
CONECT   25    6   24    4                                            
CONECT   26   27    5   28                                            
CONECT   27    6   26   66   67                                       
CONECT   28   26    7   41   41                                       
CONECT   29   30    7   68   69                                       
CONECT   30   29   70                                                 
CONECT   31    7   32   71                                            
CONECT   32   31   33   33   40                                       
CONECT   32   40   34                                                 
CONECT   33   32   32                                                 
CONECT   34   32   39   39   35                                       
CONECT   35   34    8   36   36                                       
CONECT   36   35   35   37   72                                       
CONECT   37   38   38   36    9                                       
CONECT   38   39   37   37   73                                       
CONECT   39   34   34   38   74                                       
CONECT   40   32   32                                                 
CONECT   41   28   28                                                 
CONECT   42   24   24                                                 
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
