COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1       5.450  -1.640   0.258  1.00  0.00           I  
HETATM    2  C   UNL     1       4.423   0.168   0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       3.176   0.179  -0.604  1.00  0.00           C  
HETATM    4  O   UNL     1       2.619  -0.984  -1.036  1.00  0.00           O  
HETATM    5  C   UNL     1       1.799  -1.695  -0.106  1.00  0.00           C  
HETATM    6  C   UNL     1       1.265  -2.968  -0.767  1.00  0.00           C  
HETATM    7  C   UNL     1       4.984   1.351   0.447  1.00  0.00           C  
HETATM    8  C   UNL     1       4.305   2.545   0.280  1.00  0.00           C  
HETATM    9 CL   UNL     1       5.012   4.029   0.837  1.00  0.00          Cl  
HETATM   10  C   UNL     1       3.064   2.557  -0.331  1.00  0.00           C  
HETATM   11  C   UNL     1       2.497   1.377  -0.771  1.00  0.00           C  
HETATM   12  C   UNL     1       1.143   1.391  -1.432  1.00  0.00           C  
HETATM   13  N   UNL     1       0.119   0.989  -0.458  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.217   0.991  -1.068  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.255   0.568  -0.026  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.647   0.571  -0.661  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.640   0.166   0.336  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.943   0.096   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.294   0.368  -1.132  1.00  0.00           O  
HETATM   20  N   UNL     1      -6.857  -0.277   0.918  1.00  0.00           N  
HETATM   21  C   UNL     1      -8.228  -0.241   0.601  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.750   0.599  -0.372  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.069   0.506  -0.547  1.00  0.00           C  
HETATM   24  S   UNL     1     -10.729  -0.694   0.556  1.00  0.00           S  
HETATM   25  C   UNL     1      -9.130  -1.019   1.211  1.00  0.00           C  
HETATM   26  H   UNL     1       2.389  -1.961   0.770  1.00  0.00           H  
HETATM   27  H   UNL     1       0.962  -1.065   0.196  1.00  0.00           H  
HETATM   28  H   UNL     1       0.675  -2.702  -1.644  1.00  0.00           H  
HETATM   29  H   UNL     1       2.102  -3.598  -1.069  1.00  0.00           H  
HETATM   30  H   UNL     1       0.640  -3.510  -0.058  1.00  0.00           H  
HETATM   31  H   UNL     1       5.953   1.343   0.924  1.00  0.00           H  
HETATM   32  H   UNL     1       2.535   3.491  -0.460  1.00  0.00           H  
HETATM   33  H   UNL     1       0.925   2.396  -1.794  1.00  0.00           H  
HETATM   34  H   UNL     1       1.140   0.694  -2.270  1.00  0.00           H  
HETATM   35  H   UNL     1       0.144   1.581   0.359  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.451   1.993  -1.428  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.236   0.292  -1.904  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.021  -0.434   0.333  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.236   1.268   0.810  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.880   1.573  -1.021  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.665  -0.129  -1.497  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.359  -0.051   1.239  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.569  -0.569   1.797  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.134   1.277  -0.945  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.644   1.081  -1.258  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.910  -1.734   1.990  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    1    7                                       
CONECT    3    4    2    2   11                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   26   27                                       
CONECT    6    5   28   29   30                                       
CONECT    7    2    8    8   31                                       
CONECT    8    7    7   10    9                                       
CONECT    9    8                                                      
CONECT   10   11   11    8   32                                       
CONECT   11    3   12   10   10                                       
CONECT   12   13   11   33   34                                       
CONECT   13   14   12   35                                            
CONECT   14   15   13   36   37                                       
CONECT   15   16   14   38   39                                       
CONECT   16   17   15   40   41                                       
CONECT   17   18   16   42                                            
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   43                                            
CONECT   21   25   25   22   20                                       
CONECT   22   23   23   21   44                                       
CONECT   23   24   22   22   45                                       
CONECT   24   23   25                                                 
CONECT   25   24   21   21   46                                       
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
