COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.906   4.859   0.251  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.436   3.479  -0.173  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.396   3.566   1.025  1.00  0.00           C  
HETATM    4  O   UNL     1       6.324  -0.500  -1.536  1.00  0.00           O  
HETATM    5  C   UNL     1       1.295   0.295  -0.497  1.00  0.00           C  
HETATM    6  C   UNL     1       2.205  -0.747  -0.316  1.00  0.00           C  
HETATM    7  C   UNL     1       1.740  -2.039  -0.061  1.00  0.00           C  
HETATM    8  C   UNL     1       0.386  -2.279   0.014  1.00  0.00           C  
HETATM    9  C   UNL     1       6.499  -0.101   1.096  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.283   0.839  -0.061  1.00  0.00           C  
HETATM   11  C   UNL     1       7.989   0.247   1.123  1.00  0.00           C  
HETATM   12  C   UNL     1       8.345   1.063  -0.122  1.00  0.00           C  
HETATM   13  C   UNL     1       8.298   1.069   2.376  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.069   0.049  -0.423  1.00  0.00           C  
HETATM   15  C   UNL     1       3.656  -0.484  -0.395  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.400   2.360  -0.049  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.712  -1.311   0.814  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.621  -1.764   1.535  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.148  -0.807  -0.093  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.951   1.118  -0.610  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.523  -1.242  -0.165  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.852  -1.519  -0.078  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.751  -0.527  -0.583  1.00  0.00           C  
HETATM   24  O   UNL     1       4.058   0.641  -0.618  1.00  0.00           O  
HETATM   25  N   UNL     1       4.534  -1.492  -0.220  1.00  0.00           N  
HETATM   26  S   UNL     1       6.161  -1.197  -0.309  1.00  0.00           S  
HETATM   27  O   UNL     1       6.759  -2.470  -0.104  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.340  -1.512   1.081  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.238  -0.349  -0.811  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.520  -0.606  -0.361  1.00  0.00           C  
HETATM   31 CL   UNL     1      -4.996   0.549  -2.277  1.00  0.00          Cl  
HETATM   32 CL   UNL     1      -8.321  -1.634   1.380  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -2.275   5.095   0.910  1.00  0.00           C  
HETATM   34  H   UNL     1      -0.082   4.810   0.963  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.703   5.527  -0.586  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.940   3.484  -1.140  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.396   3.190   0.811  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.979   3.164   1.948  1.00  0.00           H  
HETATM   39  H   UNL     1       1.652   1.296  -0.691  1.00  0.00           H  
HETATM   40  H   UNL     1       2.441  -2.849   0.078  1.00  0.00           H  
HETATM   41  H   UNL     1       0.028  -3.278   0.212  1.00  0.00           H  
HETATM   42  H   UNL     1       6.227  -0.605   2.023  1.00  0.00           H  
HETATM   43  H   UNL     1       5.914   0.813   0.993  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.233   0.816   1.028  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.980   1.614  -0.379  1.00  0.00           H  
HETATM   46  H   UNL     1       8.577  -0.671   1.136  1.00  0.00           H  
HETATM   47  H   UNL     1       7.757   1.981  -0.135  1.00  0.00           H  
HETATM   48  H   UNL     1       9.406   1.311  -0.102  1.00  0.00           H  
HETATM   49  H   UNL     1       8.125   0.478  -1.015  1.00  0.00           H  
HETATM   50  H   UNL     1       8.044   0.488   3.263  1.00  0.00           H  
HETATM   51  H   UNL     1       9.359   1.317   2.396  1.00  0.00           H  
HETATM   52  H   UNL     1       7.710   1.987   2.363  1.00  0.00           H  
HETATM   53  H   UNL     1       0.501   2.636  -0.595  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.156   2.206   1.002  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.770  -2.314   2.452  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.734  -0.535  -1.673  1.00  0.00           H  
HETATM   57  H   UNL     1       4.212  -2.390  -0.043  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.488  -1.865   1.644  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.372  -0.257  -0.926  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.215   5.602   1.873  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.010   5.542   0.240  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2   16    1    3   36                                       
CONECT    3    2   33   37   38                                       
CONECT    4   26   26                                                 
CONECT    5    6    6   14   39                                       
CONECT    6   15    7    5    5                                       
CONECT    7    8    8    6   40                                       
CONECT    8    7    7   21   41                                       
CONECT    9   26   11   42   43                                       
CONECT   10   23   20   44   45                                       
CONECT   11    9   12   13   46                                       
CONECT   12   11   47   48   49                                       
CONECT   13   11   50   51   52                                       
CONECT   14   21   21    5   20                                       
CONECT   15   24   24   25    6                                       
CONECT   16   20    2   53   54                                       
CONECT   17   18   30   30   32                                       
CONECT   18   28   28   17   55                                       
CONECT   19   28   23   29   29                                       
CONECT   20   14   10   16                                            
CONECT   21    8   22   14   14                                       
CONECT   22   21   23                                                 
CONECT   23   22   19   10   56                                       
CONECT   24   15   15                                                 
CONECT   25   26   15   57                                            
CONECT   26    4    4   27   27                                       
CONECT   26   25    9                                                 
CONECT   27   26   26                                                 
CONECT   28   18   18   19   58                                       
CONECT   29   19   19   30   31                                       
CONECT   30   17   17   29   59                                       
CONECT   31   29                                                      
CONECT   32   17                                                      
CONECT   33    1    3   60   61                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
