COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.828   2.097  -1.535  1.00  0.00           S  
HETATM    2  C   UNL     1       6.704  -3.978  -0.322  1.00  0.00           C  
HETATM    3  C   UNL     1       5.407  -3.194  -0.531  1.00  0.00           C  
HETATM    4  C   UNL     1       5.617  -1.738  -0.107  1.00  0.00           C  
HETATM    5  C   UNL     1       4.320  -0.954  -0.316  1.00  0.00           C  
HETATM    6  C   UNL     1       3.253   1.273  -0.098  1.00  0.00           C  
HETATM    7  C   UNL     1       0.105   2.358   1.370  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.675   0.167   2.114  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.499  -0.960   1.232  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.343  -2.072   1.216  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.743   0.107   0.340  1.00  0.00           C  
HETATM   12  C   UNL     1       4.530   0.501   0.108  1.00  0.00           C  
HETATM   13  N   UNL     1       2.322   1.409   0.784  1.00  0.00           N  
HETATM   14  C   UNL     1       1.266   2.119   0.440  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.828   1.233   1.285  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.456  -0.870   2.096  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.399  -2.115   0.335  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.637  -1.063  -0.542  1.00  0.00           C  
HETATM   19 CL   UNL     1      -5.978  -1.146  -1.642  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -3.818   0.046  -0.545  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.836   1.264   0.382  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.991   2.216  -0.360  1.00  0.00           O  
HETATM   23  C   UNL     1       1.310   2.610  -0.803  1.00  0.00           C  
HETATM   24  H   UNL     1       6.555  -5.015  -0.624  1.00  0.00           H  
HETATM   25  H   UNL     1       7.498  -3.535  -0.924  1.00  0.00           H  
HETATM   26  H   UNL     1       6.984  -3.943   0.730  1.00  0.00           H  
HETATM   27  H   UNL     1       5.127  -3.228  -1.584  1.00  0.00           H  
HETATM   28  H   UNL     1       4.614  -3.636   0.071  1.00  0.00           H  
HETATM   29  H   UNL     1       5.897  -1.704   0.945  1.00  0.00           H  
HETATM   30  H   UNL     1       6.411  -1.296  -0.709  1.00  0.00           H  
HETATM   31  H   UNL     1       4.040  -0.989  -1.369  1.00  0.00           H  
HETATM   32  H   UNL     1       3.527  -1.397   0.285  1.00  0.00           H  
HETATM   33  H   UNL     1       0.472   2.450   2.393  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.407   3.277   1.084  1.00  0.00           H  
HETATM   35  H   UNL     1       0.142   0.180   2.820  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.167  -2.896   1.892  1.00  0.00           H  
HETATM   37  H   UNL     1       4.811   0.536   1.160  1.00  0.00           H  
HETATM   38  H   UNL     1       5.324   0.944  -0.494  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.051  -2.976   0.324  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.008   0.861  -1.228  1.00  0.00           H  
HETATM   41  H   UNL     1       0.549   3.215  -1.274  1.00  0.00           H  
CONECT    1    6   23                                                 
CONECT    2    3   24   25   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5   29   30                                       
CONECT    5    4   12   31   32                                       
CONECT    6   12   13   13    1                                       
CONECT    7   15   14   33   34                                       
CONECT    8   16   16   15   35                                       
CONECT    9   10   16   11   11                                       
CONECT   10   17   17    9   36                                       
CONECT   11    9    9   20   21                                       
CONECT   12    5    6   37   38                                       
CONECT   13    6    6   14                                            
CONECT   14   13    7   23   23                                       
CONECT   15    8   21    7                                            
CONECT   16    9    8    8                                            
CONECT   17   10   10   18   39                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18   11   40                                       
CONECT   21   11   15   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   14   14    1   41                                       
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
