COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.165  -1.268   0.610  1.00  0.00           C  
HETATM    2  C   UNL     1       2.805   1.454  -0.233  1.00  0.00           C  
HETATM    3  C   UNL     1       2.585   2.152  -1.405  1.00  0.00           C  
HETATM    4  C   UNL     1       3.439   1.986  -2.480  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.313  -0.032  -0.078  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.165   1.327   0.146  1.00  0.00           C  
HETATM    7  C   UNL     1       0.151   1.007   0.665  1.00  0.00           C  
HETATM    8  C   UNL     1       0.005  -0.365   0.452  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.236  -0.879   0.073  1.00  0.00           C  
HETATM   10  O   UNL     1       2.208   0.829   2.174  1.00  0.00           O  
HETATM   11  S   UNL     1       1.716   1.666   1.136  1.00  0.00           S  
HETATM   12  O   UNL     1       1.532   3.067   1.289  1.00  0.00           O  
HETATM   13  C   UNL     1       3.875   0.585  -0.136  1.00  0.00           C  
HETATM   14  C   UNL     1       4.726   0.414  -1.212  1.00  0.00           C  
HETATM   15  C   UNL     1       4.512   1.120  -2.381  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.935   1.844   0.516  1.00  0.00           C  
HETATM   17 CL   UNL     1      -3.527   2.388  -0.040  1.00  0.00          Cl  
HETATM   18  S   UNL     1      -3.883  -0.679  -0.549  1.00  0.00           S  
HETATM   19  O   UNL     1      -4.352   0.139  -1.611  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.717  -2.086  -0.666  1.00  0.00           O  
HETATM   21  N   UNL     1      -4.916  -0.435   0.722  1.00  0.00           N  
HETATM   22  O   UNL     1       2.268  -0.807   0.830  1.00  0.00           O  
HETATM   23  N   UNL     1       0.998  -2.602   0.517  1.00  0.00           N  
HETATM   24  C   UNL     1       2.148  -3.496   0.673  1.00  0.00           C  
HETATM   25  C   UNL     1       1.689  -4.948   0.523  1.00  0.00           C  
HETATM   26  O   UNL     1       1.220  -5.164  -0.810  1.00  0.00           O  
HETATM   27  H   UNL     1       1.746   2.828  -1.482  1.00  0.00           H  
HETATM   28  H   UNL     1       3.267   2.531  -3.396  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.353  -1.939  -0.101  1.00  0.00           H  
HETATM   30  H   UNL     1       4.047   0.039   0.780  1.00  0.00           H  
HETATM   31  H   UNL     1       5.565  -0.262  -1.135  1.00  0.00           H  
HETATM   32  H   UNL     1       5.177   0.987  -3.222  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.823   2.906   0.680  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.597  -0.001   1.529  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.839  -0.725   0.659  1.00  0.00           H  
HETATM   36  H   UNL     1       0.117  -2.970   0.345  1.00  0.00           H  
HETATM   37  H   UNL     1       2.891  -3.269  -0.091  1.00  0.00           H  
HETATM   38  H   UNL     1       2.587  -3.354   1.661  1.00  0.00           H  
HETATM   39  H   UNL     1       2.525  -5.616   0.727  1.00  0.00           H  
HETATM   40  H   UNL     1       0.882  -5.149   1.228  1.00  0.00           H  
HETATM   41  H   UNL     1       0.913  -6.065  -0.978  1.00  0.00           H  
CONECT    1   22   22   23    8                                       
CONECT    2   13   13    3   11                                       
CONECT    3    4    4    2   27                                       
CONECT    4   15    3    3   28                                       
CONECT    5    9    9    6   18                                       
CONECT    6   16   16    5   17                                       
CONECT    7   11    8    8   16                                       
CONECT    8    1    7    7    9                                       
CONECT    9    8    5    5   29                                       
CONECT   10   11   11                                                 
CONECT   11    2   10   10   12                                       
CONECT   11   12    7                                                 
CONECT   12   11   11                                                 
CONECT   13   14    2    2   30                                       
CONECT   14   15   15   13   31                                       
CONECT   15   14   14    4   32                                       
CONECT   16    7    6    6   33                                       
CONECT   17    6                                                      
CONECT   18    5   21   20   20                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   34   35                                            
CONECT   22    1    1                                                 
CONECT   23   24    1   36                                            
CONECT   24   25   23   37   38                                       
CONECT   25   24   26   39   40                                       
CONECT   26   25   41                                                 
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    9                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
