COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.261   2.532   1.024  1.00  0.00           C  
HETATM    2  C   UNL     1       1.778  -2.364  -0.006  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.594  -3.113   0.083  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.599  -0.863   0.320  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.752   0.869   0.582  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.688   1.850  -0.389  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.679  -0.957  -0.555  1.00  0.00           C  
HETATM    8  O   UNL     1       4.042  -2.953  -0.193  1.00  0.00           O  
HETATM    9  C   UNL     1       3.215  -2.061  -0.070  1.00  0.00           C  
HETATM   10  C   UNL     1       3.609  -0.710   0.014  1.00  0.00           C  
HETATM   11  C   UNL     1       2.652   0.247   0.149  1.00  0.00           C  
HETATM   12  N   UNL     1       3.036   1.564   0.231  1.00  0.00           N  
HETATM   13  C   UNL     1       4.234   2.049  -0.473  1.00  0.00           C  
HETATM   14  C   UNL     1       3.851   3.297  -1.277  1.00  0.00           C  
HETATM   15  O   UNL     1       3.201   4.232  -0.412  1.00  0.00           O  
HETATM   16  C   UNL     1       1.975   3.756   0.148  1.00  0.00           C  
HETATM   17  O   UNL     1       1.352  -0.051   0.206  1.00  0.00           O  
HETATM   18  C   UNL     1       0.882  -1.327   0.133  1.00  0.00           C  
HETATM   19  S   UNL     1       0.914  -3.893  -0.068  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.444  -1.784   0.178  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.602   0.102   1.325  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.675   0.962   1.452  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.801   1.725   0.727  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.021   0.441  -0.898  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.799  -0.194  -1.289  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.752  -0.092  -0.424  1.00  0.00           C  
HETATM   27  H   UNL     1       1.322   2.078   1.341  1.00  0.00           H  
HETATM   28  H   UNL     1       2.837   2.833   1.900  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.546  -3.622   0.099  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.604   2.353  -0.076  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.206   2.424  -1.180  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.678  -1.703  -1.335  1.00  0.00           H  
HETATM   33  H   UNL     1       4.654  -0.440  -0.029  1.00  0.00           H  
HETATM   34  H   UNL     1       5.008   2.302   0.251  1.00  0.00           H  
HETATM   35  H   UNL     1       4.601   1.276  -1.148  1.00  0.00           H  
HETATM   36  H   UNL     1       4.750   3.751  -1.694  1.00  0.00           H  
HETATM   37  H   UNL     1       3.175   3.016  -2.084  1.00  0.00           H  
HETATM   38  H   UNL     1       1.292   3.477  -0.655  1.00  0.00           H  
HETATM   39  H   UNL     1       1.523   4.541   0.755  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.766   0.178   2.004  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.676   1.709   2.231  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.497  -0.135  -0.104  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.691   0.508  -1.755  1.00  0.00           H  
CONECT    1   12   16   27   28                                       
CONECT    2   19    9   18   18                                       
CONECT    3   19   20   20   29                                       
CONECT    4    7   20   21   21                                       
CONECT    5   26   23   22   22                                       
CONECT    6   24   23   30   31                                       
CONECT    7   26   26    4   32                                       
CONECT    8    9    9                                                 
CONECT    9    2    8    8   10                                       
CONECT   10    9   11   11   33                                       
CONECT   11   17   10   10   12                                       
CONECT   12   11   13    1                                            
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   16                                                 
CONECT   16    1   15   38   39                                       
CONECT   17   18   11                                                 
CONECT   18   20    2    2   17                                       
CONECT   19    3    2                                                 
CONECT   20    3    3    4   18                                       
CONECT   21    4    4   22   40                                       
CONECT   22    5    5   21   41                                       
CONECT   23    5    6                                                 
CONECT   24   25    6   42   43                                       
CONECT   25   24   26                                                 
CONECT   26   25    7    7    5                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
