COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.154  -1.925   0.766  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.976  -1.237  -0.647  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.863  -1.857  -1.608  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.253  -0.533  -0.146  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.528   0.199   0.334  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.891   0.983   0.540  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.237   1.762   0.732  1.00  0.00           C  
HETATM    8  C   UNL     1       6.571   0.162   1.640  1.00  0.00           C  
HETATM    9  C   UNL     1       5.896   0.573   0.498  1.00  0.00           C  
HETATM   10  C   UNL     1       4.048  -0.539   1.461  1.00  0.00           C  
HETATM   11  C   UNL     1       2.534  -0.726   1.320  1.00  0.00           C  
HETATM   12  C   UNL     1       2.842  -0.655  -1.185  1.00  0.00           C  
HETATM   13  C   UNL     1       4.344  -0.470  -0.945  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.354  -2.107  -0.347  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.457  -1.496   0.622  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.164  -1.416  -1.756  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.959  -1.073  -2.996  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.339  -0.649  -2.465  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.756   0.680  -0.441  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.119   1.464  -0.234  1.00  0.00           C  
HETATM   21  C   UNL     1       6.562   1.313  -0.471  1.00  0.00           C  
HETATM   22  C   UNL     1       7.893   1.639  -0.296  1.00  0.00           C  
HETATM   23  C   UNL     1       8.563   1.229   0.842  1.00  0.00           C  
HETATM   24  C   UNL     1       7.903   0.491   1.809  1.00  0.00           C  
HETATM   25  C   UNL     1       8.616   2.442  -1.347  1.00  0.00           C  
HETATM   26  F   UNL     1       8.061   2.172  -2.602  1.00  0.00           F  
HETATM   27  F   UNL     1       8.486   3.806  -1.062  1.00  0.00           F  
HETATM   28  F   UNL     1       9.970   2.093  -1.350  1.00  0.00           F  
HETATM   29  N   UNL     1       4.550   0.242   0.323  1.00  0.00           N  
HETATM   30  N   UNL     1       2.256  -1.306  -0.003  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.254  -0.799  -1.010  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.441  -0.091  -0.605  1.00  0.00           N  
HETATM   33  N   UNL     1     -13.425   2.204   0.273  1.00  0.00           N  
HETATM   34  O   UNL     1       1.370  -3.333   1.089  1.00  0.00           O  
HETATM   35  O   UNL     1       1.674  -3.262  -1.391  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.083  -0.690   1.048  1.00  0.00           O  
HETATM   37  O   UNL     1     -12.067   1.606   1.922  1.00  0.00           O  
HETATM   38  O   UNL     1     -14.475   2.484   1.180  1.00  0.00           O  
HETATM   39  S   UNL     1       1.309  -2.656  -0.158  1.00  0.00           S  
HETATM   40 CL   UNL     1       8.746  -0.015   3.240  1.00  0.00          Cl  
HETATM   41  H   UNL     1      -0.759  -2.125   1.751  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.238  -1.995  -2.478  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.209   0.975   1.029  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.779  -0.705   0.889  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.142   0.079   1.095  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.572   1.760   1.235  1.00  0.00           H  
HETATM   47  H   UNL     1       6.055  -0.409   2.397  1.00  0.00           H  
HETATM   48  H   UNL     1       4.264  -0.010   2.389  1.00  0.00           H  
HETATM   49  H   UNL     1       4.536  -1.514   1.476  1.00  0.00           H  
HETATM   50  H   UNL     1       2.174  -1.400   2.097  1.00  0.00           H  
HETATM   51  H   UNL     1       2.036   0.239   1.408  1.00  0.00           H  
HETATM   52  H   UNL     1       2.373   0.318  -1.337  1.00  0.00           H  
HETATM   53  H   UNL     1       2.685  -1.278  -2.065  1.00  0.00           H  
HETATM   54  H   UNL     1       4.827  -1.446  -0.897  1.00  0.00           H  
HETATM   55  H   UNL     1       4.774   0.108  -1.762  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.078  -1.360   1.495  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.480  -0.243  -3.516  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.550   0.384  -2.744  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.505   1.584  -0.996  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.075  -0.097  -1.136  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.868   2.368  -0.789  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.438   0.687  -0.929  1.00  0.00           H  
HETATM   63  H   UNL     1       6.040   1.633  -1.360  1.00  0.00           H  
HETATM   64  H   UNL     1       9.603   1.485   0.976  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.577   0.034  -1.558  1.00  0.00           H  
HETATM   66  H   UNL     1     -13.561   2.329  -0.680  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.287   2.795   0.758  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.054  -1.934  -3.657  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.113  -1.311  -2.853  1.00  0.00           H  
CONECT    1   14   14   15   41                                       
CONECT    2   16   31   15   15                                       
CONECT    3   16   16   14   42                                       
CONECT    4   31   32   36   36                                       
CONECT    5   19   32   43   44                                       
CONECT    6   20   19   45   46                                       
CONECT    7   20   33   37   37                                       
CONECT    8    9   24   24   47                                       
CONECT    9   29   21   21    8                                       
CONECT   10   11   29   48   49                                       
CONECT   11   30   10   50   51                                       
CONECT   12   30   13   52   53                                       
CONECT   13   12   29   54   55                                       
CONECT   14    3   39    1    1                                       
CONECT   15    2    2    1   56                                       
CONECT   16   17    3    3    2                                       
CONECT   17   18   16   57   68                                       
CONECT   18   17   31   58   69                                       
CONECT   19    6    5   59   60                                       
CONECT   20    7    6   61   62                                       
CONECT   21    9    9   22   63                                       
CONECT   22   21   25   23   23                                       
CONECT   23   22   22   24   64                                       
CONECT   24    8    8   23   40                                       
CONECT   25   28   26   22   27                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   10   13    9                                            
CONECT   30   39   11   12                                            
CONECT   31   18    2    4                                            
CONECT   32    4    5   65                                            
CONECT   33    7   38   66                                            
CONECT   34   39   39                                                 
CONECT   35   39   39                                                 
CONECT   36    4    4                                                 
CONECT   37    7    7                                                 
CONECT   38   33   67                                                 
CONECT   39   34   34   14   35                                       
CONECT   39   35   30                                                 
CONECT   40   24                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   38                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
