COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.078   0.023  -0.035  1.00  0.00           C  
HETATM    2  C   UNL     1       6.758   0.342  -1.933  1.00  0.00           C  
HETATM    3  C   UNL     1       2.790   0.652  -0.570  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.640   0.740   0.610  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.852   1.150  -0.093  1.00  0.00           C  
HETATM    6 CL   UNL     1      -3.403  -3.136  -0.388  1.00  0.00          Cl  
HETATM    7  C   UNL     1      -3.936  -1.489  -0.258  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.214  -0.613   0.496  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.059  -1.041   1.153  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.859  -0.741   0.360  1.00  0.00           C  
HETATM   11  C   UNL     1       0.351  -1.330   1.037  1.00  0.00           C  
HETATM   12  N   UNL     1       1.572  -1.179   0.486  1.00  0.00           N  
HETATM   13  C   UNL     1       2.761  -1.748   1.135  1.00  0.00           C  
HETATM   14  C   UNL     1       3.802  -0.638   1.317  1.00  0.00           C  
HETATM   15  N   UNL     1       5.097   1.063   0.130  1.00  0.00           N  
HETATM   16  S   UNL     1       6.690   0.714  -0.159  1.00  0.00           S  
HETATM   17  C   UNL     1       8.196   0.000  -2.327  1.00  0.00           C  
HETATM   18  O   UNL     1       6.937  -0.457   0.607  1.00  0.00           O  
HETATM   19  O   UNL     1       7.371   1.930   0.122  1.00  0.00           O  
HETATM   20  C   UNL     1       1.738  -0.443  -0.774  1.00  0.00           C  
HETATM   21  O   UNL     1       0.227  -1.940   2.078  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.122   1.760   1.274  1.00  0.00           N  
HETATM   23  S   UNL     1      -4.004   3.022   1.056  1.00  0.00           S  
HETATM   24  N   UNL     1      -5.100   2.432   0.122  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.552   0.183  -0.859  1.00  0.00           C  
HETATM   26 CL   UNL     1      -6.998   0.630  -1.710  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -5.092  -1.092  -0.928  1.00  0.00           C  
HETATM   28  H   UNL     1       4.436  -0.727  -0.740  1.00  0.00           H  
HETATM   29  H   UNL     1       6.110  -0.507  -2.151  1.00  0.00           H  
HETATM   30  H   UNL     1       6.423   1.210  -2.499  1.00  0.00           H  
HETATM   31  H   UNL     1       2.418   1.385   0.146  1.00  0.00           H  
HETATM   32  H   UNL     1       2.993   1.143  -1.522  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.995  -0.634   2.074  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.965  -1.172  -0.635  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.740   0.339   0.278  1.00  0.00           H  
HETATM   36  H   UNL     1       2.487  -2.155   2.108  1.00  0.00           H  
HETATM   37  H   UNL     1       3.176  -2.538   0.509  1.00  0.00           H  
HETATM   38  H   UNL     1       4.725  -1.066   1.709  1.00  0.00           H  
HETATM   39  H   UNL     1       3.420   0.107   2.015  1.00  0.00           H  
HETATM   40  H   UNL     1       4.839   1.956   0.408  1.00  0.00           H  
HETATM   41  H   UNL     1       8.237  -0.224  -3.393  1.00  0.00           H  
HETATM   42  H   UNL     1       8.844   0.849  -2.109  1.00  0.00           H  
HETATM   43  H   UNL     1       8.532  -0.869  -1.760  1.00  0.00           H  
HETATM   44  H   UNL     1       0.789   0.011  -1.061  1.00  0.00           H  
HETATM   45  H   UNL     1       2.069  -1.127  -1.556  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.636  -1.817  -1.515  1.00  0.00           H  
CONECT    1    3   14   15   28                                       
CONECT    2   16   17   29   30                                       
CONECT    3    1   20   31   32                                       
CONECT    4    5    8   22   22                                       
CONECT    5    4   24   24   25                                       
CONECT    6    7                                                      
CONECT    7    6    8    8   27                                       
CONECT    8    4    7    7    9                                       
CONECT    9    8   10   33                                            
CONECT   10    9   11   34   35                                       
CONECT   11   10   12   21   21                                       
CONECT   12   11   13   20                                            
CONECT   13   12   14   36   37                                       
CONECT   14    1   13   38   39                                       
CONECT   15    1   16   40                                            
CONECT   16    2   15   18   18                                       
CONECT   16   19   19                                                 
CONECT   17    2   41   42   43                                       
CONECT   18   16   16                                                 
CONECT   19   16   16                                                 
CONECT   20    3   12   44   45                                       
CONECT   21   11   11                                                 
CONECT   22    4    4   23                                            
CONECT   23   22   24                                                 
CONECT   24    5    5   23                                            
CONECT   25    5   26   27   27                                       
CONECT   26   25                                                      
CONECT   27    7   25   25   46                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
