COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.460  -2.817  -1.493  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.686  -2.234  -0.819  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.933  -2.358   0.812  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.815   0.081   0.054  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.075   1.097   0.375  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.335   2.113   0.697  1.00  0.00           C  
HETATM    7  C   UNL     1       6.463   0.725   1.574  1.00  0.00           C  
HETATM    8  C   UNL     1       5.845   0.779   0.331  1.00  0.00           C  
HETATM    9  C   UNL     1       4.519  -0.741  -0.899  1.00  0.00           C  
HETATM   10  C   UNL     1       3.065  -1.142  -1.169  1.00  0.00           C  
HETATM   11  C   UNL     1       2.566  -0.658   1.258  1.00  0.00           C  
HETATM   12  C   UNL     1       4.041  -0.275   1.433  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.035  -2.705  -0.181  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.782  -2.582  -1.814  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.257  -2.122   0.496  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.731  -1.074  -0.455  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.275   0.052  -0.404  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.535   1.068  -0.083  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.773   2.084   0.246  1.00  0.00           C  
HETATM   20  C   UNL     1       6.512   1.340  -0.750  1.00  0.00           C  
HETATM   21  C   UNL     1       7.788   1.844  -0.586  1.00  0.00           C  
HETATM   22  C   UNL     1       8.401   1.789   0.652  1.00  0.00           C  
HETATM   23  C   UNL     1       7.740   1.231   1.731  1.00  0.00           C  
HETATM   24  C   UNL     1       8.513   2.453  -1.759  1.00  0.00           C  
HETATM   25  F   UNL     1       8.088   1.836  -2.941  1.00  0.00           F  
HETATM   26  F   UNL     1       8.232   3.822  -1.820  1.00  0.00           F  
HETATM   27  F   UNL     1       9.891   2.266  -1.604  1.00  0.00           F  
HETATM   28  N   UNL     1       4.555   0.268   0.169  1.00  0.00           N  
HETATM   29  N   UNL     1       2.451  -1.559   0.101  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.027  -1.995  -1.142  1.00  0.00           N  
HETATM   31  N   UNL     1      -6.049  -0.920  -0.693  1.00  0.00           N  
HETATM   32  N   UNL     1     -13.669   2.925   0.799  1.00  0.00           N  
HETATM   33  O   UNL     1       1.678  -3.360   1.601  1.00  0.00           O  
HETATM   34  O   UNL     1       2.171  -3.839  -0.802  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.179  -0.383   0.378  1.00  0.00           O  
HETATM   36  O   UNL     1     -13.123   1.305  -0.614  1.00  0.00           O  
HETATM   37  O   UNL     1     -15.020   2.898   0.375  1.00  0.00           O  
HETATM   38  S   UNL     1       1.653  -3.005   0.225  1.00  0.00           S  
HETATM   39 CL   UNL     1       8.511   1.172   3.286  1.00  0.00          Cl  
HETATM   40  H   UNL     1       0.245  -3.084  -2.267  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.598  -2.272   1.835  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.397   1.071  -0.130  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.764  -0.143   1.119  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.024   0.873   1.441  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.656   2.087   0.191  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.284   1.889   1.763  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.916   3.103   0.513  1.00  0.00           H  
HETATM   48  H   UNL     1       5.945   0.294   2.418  1.00  0.00           H  
HETATM   49  H   UNL     1       5.087  -1.618  -0.590  1.00  0.00           H  
HETATM   50  H   UNL     1       4.956  -0.325  -1.807  1.00  0.00           H  
HETATM   51  H   UNL     1       2.520  -0.291  -1.577  1.00  0.00           H  
HETATM   52  H   UNL     1       3.039  -1.968  -1.880  1.00  0.00           H  
HETATM   53  H   UNL     1       2.211  -1.167   2.154  1.00  0.00           H  
HETATM   54  H   UNL     1       1.973   0.239   1.083  1.00  0.00           H  
HETATM   55  H   UNL     1       4.130   0.477   2.216  1.00  0.00           H  
HETATM   56  H   UNL     1       4.616  -1.159   1.709  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.113  -2.670  -2.839  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.957  -1.851   1.273  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.326   0.276  -1.470  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.693  -0.938  -0.221  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.586   1.292  -1.148  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.953   0.079   0.101  1.00  0.00           H  
HETATM   63  H   UNL     1       6.035   1.382  -1.717  1.00  0.00           H  
HETATM   64  H   UNL     1       9.399   2.184   0.776  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.448  -2.493  -1.860  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.490  -1.471  -1.358  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.389   3.549   1.487  1.00  0.00           H  
HETATM   68  H   UNL     1     -15.587   3.537   0.828  1.00  0.00           H  
CONECT    1   14   14   13   40                                       
CONECT    2   14   30   15   15                                       
CONECT    3   13   13   15   41                                       
CONECT    4   17   31   42   43                                       
CONECT    5   18   17   44   45                                       
CONECT    6   19   18   46   47                                       
CONECT    7    8   23   23   48                                       
CONECT    8   28   20   20    7                                       
CONECT    9   10   28   49   50                                       
CONECT   10   29    9   51   52                                       
CONECT   11   29   12   53   54                                       
CONECT   12   11   28   55   56                                       
CONECT   13    1   38    3    3                                       
CONECT   14    1    1    2   57                                       
CONECT   15    2    2    3   58                                       
CONECT   16   30   35   35   31                                       
CONECT   17    5    4   59   60                                       
CONECT   18    6    5   61   62                                       
CONECT   19   36   36    6   32                                       
CONECT   20    8    8   21   63                                       
CONECT   21   20   24   22   22                                       
CONECT   22   21   21   23   64                                       
CONECT   23    7    7   22   39                                       
CONECT   24   27   25   21   26                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   12    9    8                                            
CONECT   29   38   11   10                                            
CONECT   30    2   16   65                                            
CONECT   31   16    4   66                                            
CONECT   32   19   37   67                                            
CONECT   33   38   38                                                 
CONECT   34   38   38                                                 
CONECT   35   16   16                                                 
CONECT   36   19   19                                                 
CONECT   37   32   68                                                 
CONECT   38   33   33   34   34                                       
CONECT   38   13   29                                                 
CONECT   39   23                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
