COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.407   1.606  -0.450  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.935   0.547   0.294  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.263   2.540  -1.042  1.00  0.00           C  
HETATM    4  O   UNL     1       5.525  -3.748   1.177  1.00  0.00           O  
HETATM    5  C   UNL     1       1.054   1.742  -0.605  1.00  0.00           C  
HETATM    6  C   UNL     1       3.322   0.913  -0.280  1.00  0.00           C  
HETATM    7  C   UNL     1       3.922  -0.463  -0.142  1.00  0.00           C  
HETATM    8  C   UNL     1       5.903  -1.965  -0.450  1.00  0.00           C  
HETATM    9  C   UNL     1       6.178   0.377  -0.853  1.00  0.00           C  
HETATM   10  C   UNL     1       7.258  -0.389  -1.706  1.00  0.00           C  
HETATM   11  C   UNL     1       7.355  -1.741  -0.956  1.00  0.00           C  
HETATM   12  C   UNL     1       6.084  -2.444   1.006  1.00  0.00           C  
HETATM   13  C   UNL     1       7.615  -2.482   1.204  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.607   1.224   0.010  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.122  -1.934  -0.916  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.723  -0.709   0.423  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.567  -1.977   0.575  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.965  -3.202  -0.764  1.00  0.00           C  
HETATM   19  C   UNL     1       3.605   1.400   2.155  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.231  -4.026  -0.533  1.00  0.00           C  
HETATM   21  F   UNL     1      -5.039   3.588   0.093  1.00  0.00           F  
HETATM   22  C   UNL     1      -5.423   2.293   0.114  1.00  0.00           C  
HETATM   23  S   UNL     1      -7.077   1.710   0.283  1.00  0.00           S  
HETATM   24  C   UNL     1      -6.505   0.047   0.196  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.310  -1.079   0.265  1.00  0.00           N  
HETATM   26  N   UNL     1      -9.378  -2.832  -0.606  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.217   0.038   0.057  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.142   1.357  -0.150  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.287   0.424   0.442  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.615   2.417  -0.893  1.00  0.00           C  
HETATM   31  O   UNL     1       1.514   2.667  -1.248  1.00  0.00           O  
HETATM   32  N   UNL     1       1.879   0.842  -0.034  1.00  0.00           N  
HETATM   33  C   UNL     1       3.967   1.855   0.739  1.00  0.00           C  
HETATM   34  C   UNL     1       4.289   0.064   2.451  1.00  0.00           C  
HETATM   35  C   UNL     1       4.077   2.449   3.163  1.00  0.00           C  
HETATM   36  O   UNL     1       3.239  -1.386   0.247  1.00  0.00           O  
HETATM   37  N   UNL     1       5.218  -0.666  -0.452  1.00  0.00           N  
HETATM   38 CL   UNL     1       8.834   0.487  -1.686  1.00  0.00          Cl  
HETATM   39  O   UNL     1       8.135  -1.542   0.241  1.00  0.00           O  
HETATM   40  H   UNL     1      -0.275  -0.175   0.751  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.855   3.359  -1.617  1.00  0.00           H  
HETATM   42  H   UNL     1       5.611  -4.098   2.074  1.00  0.00           H  
HETATM   43  H   UNL     1       3.501   1.289  -1.287  1.00  0.00           H  
HETATM   44  H   UNL     1       5.372  -2.701  -1.054  1.00  0.00           H  
HETATM   45  H   UNL     1       6.639   0.827   0.026  1.00  0.00           H  
HETATM   46  H   UNL     1       5.681   1.140  -1.452  1.00  0.00           H  
HETATM   47  H   UNL     1       6.911  -0.540  -2.728  1.00  0.00           H  
HETATM   48  H   UNL     1       7.720  -2.553  -1.585  1.00  0.00           H  
HETATM   49  H   UNL     1       5.625  -1.739   1.700  1.00  0.00           H  
HETATM   50  H   UNL     1       7.875  -2.171   2.216  1.00  0.00           H  
HETATM   51  H   UNL     1       7.999  -3.483   1.006  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.070  -2.206  -1.004  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.434  -1.394  -1.809  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.054  -0.155  -0.456  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.838  -0.086   1.310  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.254  -2.517   1.468  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.618  -1.706   0.663  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.850  -3.824  -1.652  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.634  -3.757   0.114  1.00  0.00           H  
HETATM   60  H   UNL     1       2.525   1.281   2.233  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.277  -3.723  -0.484  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.072  -4.640  -1.419  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.976  -4.600   0.358  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.696  -0.394   1.017  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.276   3.138  -1.350  1.00  0.00           H  
HETATM   66  H   UNL     1       1.518   0.148   0.539  1.00  0.00           H  
HETATM   67  H   UNL     1       5.050   1.836   0.617  1.00  0.00           H  
HETATM   68  H   UNL     1       3.601   2.869   0.579  1.00  0.00           H  
HETATM   69  H   UNL     1       4.269  -0.124   3.524  1.00  0.00           H  
HETATM   70  H   UNL     1       3.762  -0.737   1.932  1.00  0.00           H  
HETATM   71  H   UNL     1       5.323   0.101   2.108  1.00  0.00           H  
HETATM   72  H   UNL     1       3.590   3.401   2.952  1.00  0.00           H  
HETATM   73  H   UNL     1       3.820   2.125   4.172  1.00  0.00           H  
HETATM   74  H   UNL     1       5.158   2.569   3.085  1.00  0.00           H  
CONECT    1    2    5    3    3                                       
CONECT    2   29   29    1   40                                       
CONECT    3    1    1   30   41                                       
CONECT    4   12   42                                                 
CONECT    5   31   31    1   32                                       
CONECT    6   32    7   33   43                                       
CONECT    7   37    6   36   36                                       
CONECT    8   11   37   12   44                                       
CONECT    9   10   37   45   46                                       
CONECT   10   38    9   11   47                                       
CONECT   11   10   39    8   48                                       
CONECT   12   13    8    4   49                                       
CONECT   13   39   12   50   51                                       
CONECT   14   27   28   22   22                                       
CONECT   15   18   25   52   53                                       
CONECT   16   17   25   54   55                                       
CONECT   17   26   16   56   57                                       
CONECT   18   26   15   58   59                                       
CONECT   19   34   33   35   60                                       
CONECT   20   26   61   62   63                                       
CONECT   21   22                                                      
CONECT   22   14   14   23   21                                       
CONECT   23   24   22                                                 
CONECT   24   27   27   25   23                                       
CONECT   25   16   24   15                                            
CONECT   26   20   17   18                                            
CONECT   27   14   24   24                                            
CONECT   28   29   14   30   30                                       
CONECT   29    2    2   28   64                                       
CONECT   30   28   28    3   65                                       
CONECT   31    5    5                                                 
CONECT   32    5    6   66                                            
CONECT   33    6   19   67   68                                       
CONECT   34   19   69   70   71                                       
CONECT   35   19   72   73   74                                       
CONECT   36    7    7                                                 
CONECT   37    9    8    7                                            
CONECT   38   10                                                      
CONECT   39   11   13                                                 
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
