COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.312  -0.180   0.654  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.302   0.854   0.268  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.779  -1.139  -0.596  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.110  -1.209  -0.959  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.070  -0.572  -0.194  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.697   0.135   0.935  1.00  0.00           C  
HETATM    7  O   UNL     1       4.914  -3.482  -1.239  1.00  0.00           O  
HETATM    8  C   UNL     1       4.373  -2.399  -0.619  1.00  0.00           C  
HETATM    9  C   UNL     1       4.672  -1.127  -1.062  1.00  0.00           C  
HETATM   10  C   UNL     1       4.127  -0.003  -0.440  1.00  0.00           C  
HETATM   11  C   UNL     1       4.458   1.325  -1.079  1.00  0.00           C  
HETATM   12  C   UNL     1       4.477   2.474  -0.076  1.00  0.00           C  
HETATM   13  C   UNL     1       3.053   3.042   0.059  1.00  0.00           C  
HETATM   14  N   UNL     1       2.186   1.982   0.545  1.00  0.00           N  
HETATM   15  C   UNL     1       2.781   0.985   1.440  1.00  0.00           C  
HETATM   16  C   UNL     1       2.992  -1.457   1.094  1.00  0.00           C  
HETATM   17  C   UNL     1       3.517  -2.571   0.465  1.00  0.00           C  
HETATM   18  O   UNL     1       3.199  -3.820   0.899  1.00  0.00           O  
HETATM   19  C   UNL     1       0.888   1.918   0.188  1.00  0.00           C  
HETATM   20  S   UNL     1       0.229   3.101  -0.859  1.00  0.00           S  
HETATM   21  N   UNL     1       0.109   0.923   0.656  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.955  -0.361   0.932  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.406  -0.432   0.533  1.00  0.00           C  
HETATM   24 CL   UNL     1      -7.743  -0.659  -0.650  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -4.365   0.205   1.298  1.00  0.00           C  
HETATM   26  H   UNL     1      -1.813   1.761   0.590  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.377   0.760  -0.815  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.029  -1.640  -1.191  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.401  -1.761  -1.841  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.446   0.633   1.533  1.00  0.00           H  
HETATM   31  H   UNL     1       5.761  -3.766  -0.868  1.00  0.00           H  
HETATM   32  H   UNL     1       5.338  -0.999  -1.902  1.00  0.00           H  
HETATM   33  H   UNL     1       5.438   1.254  -1.551  1.00  0.00           H  
HETATM   34  H   UNL     1       3.714   1.541  -1.846  1.00  0.00           H  
HETATM   35  H   UNL     1       4.817   2.108   0.892  1.00  0.00           H  
HETATM   36  H   UNL     1       5.151   3.255  -0.428  1.00  0.00           H  
HETATM   37  H   UNL     1       3.053   3.870   0.767  1.00  0.00           H  
HETATM   38  H   UNL     1       2.701   3.388  -0.913  1.00  0.00           H  
HETATM   39  H   UNL     1       2.022   0.632   2.139  1.00  0.00           H  
HETATM   40  H   UNL     1       3.597   1.445   1.998  1.00  0.00           H  
HETATM   41  H   UNL     1       2.327  -1.582   1.936  1.00  0.00           H  
HETATM   42  H   UNL     1       2.416  -4.196   0.475  1.00  0.00           H  
HETATM   43  H   UNL     1       0.482   0.253   1.250  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.444  -1.269   0.610  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.880  -0.267   2.015  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.074   0.757   2.179  1.00  0.00           H  
CONECT    1   15   16   16   10                                       
CONECT    2   22   21   26   27                                       
CONECT    3    4   23   23   28                                       
CONECT    4    5    5    3   29                                       
CONECT    5   24    4    4    6                                       
CONECT    6    5   25   25   30                                       
CONECT    7    8   31                                                 
CONECT    8   17   17    9    7                                       
CONECT    9   10   10    8   32                                       
CONECT   10    1   11    9    9                                       
CONECT   11   12   10   33   34                                       
CONECT   12   13   11   35   36                                       
CONECT   13   14   12   37   38                                       
CONECT   14   19   15   13                                            
CONECT   15   14    1   39   40                                       
CONECT   16    1    1   17   41                                       
CONECT   17   16   18    8    8                                       
CONECT   18   17   42                                                 
CONECT   19   20   20   21   14                                       
CONECT   20   19   19                                                 
CONECT   21    2   19   43                                            
CONECT   22   23    2   44   45                                       
CONECT   23    3    3   25   22                                       
CONECT   24    5                                                      
CONECT   25    6    6   23   46                                       
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
