COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.286   1.263   1.829  1.00  0.00           O  
HETATM    2  C   UNL     1       1.977   0.691   0.805  1.00  0.00           C  
HETATM    3  C   UNL     1       2.932  -0.286   0.170  1.00  0.00           C  
HETATM    4  C   UNL     1       4.207  -0.373   1.011  1.00  0.00           C  
HETATM    5  S   UNL     1       5.357  -1.550   0.247  1.00  0.00           S  
HETATM    6  N   UNL     1       0.777   0.927   0.238  1.00  0.00           N  
HETATM    7  C   UNL     1       0.387   0.238  -1.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.963  -0.450  -0.776  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.981   0.580  -0.282  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.103   1.628  -1.245  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.510   1.166   1.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.167   1.873   0.848  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.319  -0.086  -0.092  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.382  -1.424   0.252  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.610  -2.036   0.425  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.775  -1.310   0.255  1.00  0.00           C  
HETATM   17 CL   UNL     1      -7.316  -2.078   0.473  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -5.711   0.029  -0.090  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.483   0.641  -0.257  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.980   0.820  -0.276  1.00  0.00           C  
HETATM   21  F   UNL     1      -7.742   0.245  -1.298  1.00  0.00           F  
HETATM   22  F   UNL     1      -7.714   0.813   0.915  1.00  0.00           F  
HETATM   23  F   UNL     1      -6.661   2.139  -0.619  1.00  0.00           F  
HETATM   24  H   UNL     1       2.464  -1.269   0.118  1.00  0.00           H  
HETATM   25  H   UNL     1       3.182   0.051  -0.835  1.00  0.00           H  
HETATM   26  H   UNL     1       4.675   0.610   1.064  1.00  0.00           H  
HETATM   27  H   UNL     1       3.957  -0.711   2.017  1.00  0.00           H  
HETATM   28  H   UNL     1       0.297   0.963  -1.809  1.00  0.00           H  
HETATM   29  H   UNL     1       1.140  -0.506  -1.258  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.311  -0.884  -1.713  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.851  -1.237  -0.030  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.734   2.319  -0.997  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.247   1.883   1.414  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.393   0.364   1.780  1.00  0.00           H  
HETATM   35  H   UNL     1       0.219   2.202   1.813  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.297   2.733   0.192  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.473  -1.990   0.385  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.659  -3.081   0.694  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.433   1.686  -0.526  1.00  0.00           H  
HETATM   40  S   UNL     1       5.956  -0.572  -1.452  1.00  0.00           S  
HETATM   41  C   UNL     1       7.320   0.469  -0.865  1.00  0.00           C  
HETATM   42  C   UNL     1       8.518  -0.414  -0.509  1.00  0.00           C  
HETATM   43  N   UNL     1       9.623   0.429  -0.033  1.00  0.00           N  
HETATM   44  C   UNL     1       9.279   1.080   1.238  1.00  0.00           C  
HETATM   45  C   UNL     1      10.863  -0.349   0.093  1.00  0.00           C  
HETATM   46  H   UNL     1       7.606   1.170  -1.649  1.00  0.00           H  
HETATM   47  H   UNL     1       7.001   1.021   0.019  1.00  0.00           H  
HETATM   48  H   UNL     1       8.233  -1.115   0.275  1.00  0.00           H  
HETATM   49  H   UNL     1       8.837  -0.967  -1.392  1.00  0.00           H  
HETATM   50  H   UNL     1       9.070   0.320   1.991  1.00  0.00           H  
HETATM   51  H   UNL     1      10.114   1.698   1.568  1.00  0.00           H  
HETATM   52  H   UNL     1       8.397   1.706   1.099  1.00  0.00           H  
HETATM   53  H   UNL     1      11.132  -0.763  -0.878  1.00  0.00           H  
HETATM   54  H   UNL     1      11.664   0.299   0.447  1.00  0.00           H  
HETATM   55  H   UNL     1      10.711  -1.161   0.804  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    3    1    1                                       
CONECT    3    2    4   24   25                                       
CONECT    4    3    5   26   27                                       
CONECT    5    4   40                                                 
CONECT    6    7   12    2                                            
CONECT    7    8    6   28   29                                       
CONECT    8    7    9   30   31                                       
CONECT    9   10    8   13   11                                       
CONECT   10    9   32                                                 
CONECT   11    9   12   33   34                                       
CONECT   12    6   11   35   36                                       
CONECT   13   19    9   14   14                                       
CONECT   14   13   13   15   37                                       
CONECT   15   16   16   14   38                                       
CONECT   16   18   17   15   15                                       
CONECT   17   16                                                      
CONECT   18   20   19   19   16                                       
CONECT   19   18   18   13   39                                       
CONECT   20   22   21   23   18                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   19                                                      
CONECT   40    5   41                                                 
CONECT   41   40   42   46   47                                       
CONECT   42   41   43   48   49                                       
CONECT   43   42   44   45                                            
CONECT   44   43   50   51   52                                       
CONECT   45   43   53   54   55                                       
CONECT   46   41                                                      
CONECT   47   41                                                      
CONECT   48   42                                                      
CONECT   49   42                                                      
CONECT   50   44                                                      
CONECT   51   44                                                      
CONECT   52   44                                                      
CONECT   53   45                                                      
CONECT   54   45                                                      
CONECT   55   45                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
