COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.721   2.056  -0.909  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.160   0.874  -2.944  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.247  -0.308  -0.850  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.695  -1.808   0.304  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.086  -3.487   1.541  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.132  -4.687   2.229  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.968  -5.420   2.405  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.704  -3.862   1.264  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.406  -2.324   0.113  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.780  -2.601  -1.739  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.855   0.253   2.267  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.399   3.096   0.069  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.211   4.875   1.708  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.844   2.038  -2.303  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.362  -0.298  -2.227  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.852  -3.065   1.048  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.044  -1.923  -0.393  1.00  0.00           C  
HETATM   18  C   UNL     1       0.526  -2.106  -2.303  1.00  0.00           C  
HETATM   19  C   UNL     1       0.548  -0.988  -3.117  1.00  0.00           C  
HETATM   20  C   UNL     1       1.749  -0.529  -3.631  1.00  0.00           C  
HETATM   21  C   UNL     1       2.928  -1.190  -3.330  1.00  0.00           C  
HETATM   22  C   UNL     1       2.905  -2.309  -2.516  1.00  0.00           C  
HETATM   23  C   UNL     1       1.703  -2.766  -2.003  1.00  0.00           C  
HETATM   24  C   UNL     1       1.158  -1.694   0.624  1.00  0.00           C  
HETATM   25  C   UNL     1       2.209  -2.122   1.616  1.00  0.00           C  
HETATM   26  C   UNL     1       5.350  -0.534   0.768  1.00  0.00           C  
HETATM   27  C   UNL     1       4.834   0.360   1.706  1.00  0.00           C  
HETATM   28  C   UNL     1       3.616  -0.127   2.126  1.00  0.00           C  
HETATM   29  C   UNL     1       2.791   0.606   3.151  1.00  0.00           C  
HETATM   30  C   UNL     1       3.732   1.356   4.095  1.00  0.00           C  
HETATM   31  C   UNL     1       4.820   2.087   3.368  1.00  0.00           C  
HETATM   32  C   UNL     1       5.370   1.628   2.247  1.00  0.00           C  
HETATM   33  C   UNL     1       6.668  -0.405   0.049  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.924   0.874  -0.174  1.00  0.00           C  
HETATM   35  F   UNL     1       1.771   0.563  -4.426  1.00  0.00           F  
HETATM   36  F   UNL     1       4.054  -2.955  -2.222  1.00  0.00           F  
HETATM   37  F   UNL     1       6.791  -1.435  -0.890  1.00  0.00           F  
HETATM   38  F   UNL     1       6.723   0.831  -0.605  1.00  0.00           F  
HETATM   39  F   UNL     1       7.714  -0.489   0.974  1.00  0.00           F  
HETATM   40  N   UNL     1      -2.740   1.189   1.147  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.418   2.546   1.254  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.120   4.436  -0.214  1.00  0.00           N  
HETATM   43  N   UNL     1      -3.454  -1.495  -0.135  1.00  0.00           N  
HETATM   44  N   UNL     1      -3.811  -5.006   1.933  1.00  0.00           N  
HETATM   45  N   UNL     1      -2.513  -3.435   0.777  1.00  0.00           N  
HETATM   46  N   UNL     1      -0.023  -2.340   0.571  1.00  0.00           N  
HETATM   47  N   UNL     1       3.391  -1.269   1.474  1.00  0.00           N  
HETATM   48  N   UNL     1       4.486  -1.512   0.628  1.00  0.00           N  
HETATM   49  O   UNL     1      -2.834   5.305   1.944  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.574   6.735   0.366  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.646  -1.079   0.087  1.00  0.00           O  
HETATM   52  O   UNL     1       1.376  -0.767  -0.128  1.00  0.00           O  
HETATM   53  S   UNL     1      -1.772   5.488   1.017  1.00  0.00           S  
HETATM   54 CL   UNL     1      -2.596   3.494  -3.216  1.00  0.00          Cl  
HETATM   55  H   UNL     1      -3.253   0.865  -4.020  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.978  -2.897   1.389  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.069  -5.049   2.627  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.012  -6.355   2.943  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.730  -3.680  -1.599  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.589  -2.361  -2.431  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.884  -0.204   2.460  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.187   0.789   3.157  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.579  -0.523   2.020  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.350   3.856   2.070  1.00  0.00           H  
HETATM   65  H   UNL     1       0.557   4.885   0.935  1.00  0.00           H  
HETATM   66  H   UNL     1       0.096   5.515   2.535  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.610  -1.209  -2.751  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.006  -0.841  -0.517  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.371  -0.473  -3.352  1.00  0.00           H  
HETATM   70  H   UNL     1       3.865  -0.833  -3.731  1.00  0.00           H  
HETATM   71  H   UNL     1       1.685  -3.636  -1.363  1.00  0.00           H  
HETATM   72  H   UNL     1       1.813  -2.029   2.627  1.00  0.00           H  
HETATM   73  H   UNL     1       2.484  -3.160   1.427  1.00  0.00           H  
HETATM   74  H   UNL     1       2.133   1.316   2.651  1.00  0.00           H  
HETATM   75  H   UNL     1       2.194  -0.108   3.718  1.00  0.00           H  
HETATM   76  H   UNL     1       3.151   2.074   4.673  1.00  0.00           H  
HETATM   77  H   UNL     1       4.188   0.641   4.780  1.00  0.00           H  
HETATM   78  H   UNL     1       5.172   3.025   3.771  1.00  0.00           H  
HETATM   79  H   UNL     1       6.171   2.159   1.753  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.131   4.750  -1.132  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.197  -3.081   1.172  1.00  0.00           H  
CONECT    1   12   34   34   14                                       
CONECT    2   14   14   15   55                                       
CONECT    3   34   43   15   15                                       
CONECT    4   43   16   51   51                                       
CONECT    5   16   16    6   56                                       
CONECT    6    7    7    5   57                                       
CONECT    7   44    6    6   58                                       
CONECT    8   45   44   44   16                                       
CONECT    9   17   45   45   43                                       
CONECT   10   18   17   59   60                                       
CONECT   11   40   61   62   63                                       
CONECT   12   42   41   41    1                                       
CONECT   13   53   64   65   66                                       
CONECT   14    1   54    2    2                                       
CONECT   15    3    3    2   67                                       
CONECT   16    8    4    5    5                                       
CONECT   17   46   10    9   68                                       
CONECT   18   19   19   23   10                                       
CONECT   19   20   18   18   69                                       
CONECT   20   35   21   21   19                                       
CONECT   21   20   20   22   70                                       
CONECT   22   21   36   23   23                                       
CONECT   23   22   22   18   71                                       
CONECT   24   25   52   52   46                                       
CONECT   25   47   24   72   73                                       
CONECT   26   33   27   48   48                                       
CONECT   27   32   26   28   28                                       
CONECT   28   27   27   29   47                                       
CONECT   29   30   28   74   75                                       
CONECT   30   31   29   76   77                                       
CONECT   31   32   32   30   78                                       
CONECT   32   31   31   27   79                                       
CONECT   33   38   39   26   37                                       
CONECT   34   40    1    1    3                                       
CONECT   35   20                                                      
CONECT   36   22                                                      
CONECT   37   33                                                      
CONECT   38   33                                                      
CONECT   39   33                                                      
CONECT   40   41   11   34                                            
CONECT   41   12   12   40                                            
CONECT   42   53   12   80                                            
CONECT   43    9    3    4                                            
CONECT   44    8    8    7                                            
CONECT   45    9    9    8                                            
CONECT   46   24   17   81                                            
CONECT   47   28   48   25                                            
CONECT   48   26   26   47                                            
CONECT   49   53   53                                                 
CONECT   50   53   53                                                 
CONECT   51    4    4                                                 
CONECT   52   24   24                                                 
CONECT   53   49   49   50   50                                       
CONECT   53   42   13                                                 
CONECT   54   14                                                      
CONECT   55    2                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   15                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   42                                                      
CONECT   81   46                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
