COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.416  -2.479  -1.021  1.00  0.00           O  
HETATM    2  S   UNL     1      -1.660  -1.082  -1.093  1.00  0.00           S  
HETATM    3  O   UNL     1      -2.193  -0.445  -2.246  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.685  -0.721   0.156  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.751  -1.584   1.344  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.209  -1.989   1.579  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.076  -0.731   1.667  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.996   0.040   0.347  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.876   1.261   0.424  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.395   2.361   0.290  1.00  0.00           O  
HETATM   11  O   UNL     1      -7.194   1.126   0.640  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.542   0.472   0.101  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.124  -0.289  -0.753  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.054   1.097  -0.722  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.169   1.835  -0.955  1.00  0.00           O  
HETATM   16  C   UNL     1       1.154   1.733  -0.454  1.00  0.00           C  
HETATM   17  C   UNL     1       2.296   0.977  -0.217  1.00  0.00           C  
HETATM   18  C   UNL     1       3.585   1.644   0.063  1.00  0.00           C  
HETATM   19  O   UNL     1       3.649   2.857   0.091  1.00  0.00           O  
HETATM   20  C   UNL     1       1.003  -1.051  -0.513  1.00  0.00           C  
HETATM   21  C   UNL     1       2.222  -0.428  -0.249  1.00  0.00           C  
HETATM   22  C   UNL     1       3.430  -1.237   0.003  1.00  0.00           C  
HETATM   23  O   UNL     1       3.366  -2.451  -0.025  1.00  0.00           O  
HETATM   24  C   UNL     1       4.718  -0.571   0.288  1.00  0.00           C  
HETATM   25  C   UNL     1       4.796   0.833   0.308  1.00  0.00           C  
HETATM   26  C   UNL     1       5.862  -1.327   0.525  1.00  0.00           C  
HETATM   27  C   UNL     1       7.064  -0.695   0.791  1.00  0.00           C  
HETATM   28  C   UNL     1       7.138   0.685   0.823  1.00  0.00           C  
HETATM   29  C   UNL     1       6.014   1.453   0.572  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.145  -2.475   1.181  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.376  -1.040   2.211  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.552  -2.610   0.751  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.285  -2.550   2.510  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.111  -1.016   1.859  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.717  -0.099   2.479  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.331  -0.600  -0.469  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.717   1.938   0.681  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.233   1.180   0.870  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.458   0.937  -0.881  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.678   2.040  -0.158  1.00  0.00           H  
HETATM   41  H   UNL     1       1.205   2.812  -0.431  1.00  0.00           H  
HETATM   42  H   UNL     1       0.941  -2.129  -0.534  1.00  0.00           H  
HETATM   43  H   UNL     1       5.812  -2.406   0.502  1.00  0.00           H  
HETATM   44  H   UNL     1       7.951  -1.284   0.976  1.00  0.00           H  
HETATM   45  H   UNL     1       8.082   1.167   1.033  1.00  0.00           H  
HETATM   46  H   UNL     1       6.079   2.530   0.598  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   13    4    3    3                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   12    5                                            
CONECT    5    6    4   30   31                                       
CONECT    6    7    5   32   33                                       
CONECT    7    8    6   34   35                                       
CONECT    8   12    9    7   36                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   37                                                 
CONECT   12    4    8   38   39                                       
CONECT   13   20   20    2   14                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   40                                                 
CONECT   16   14   14   17   41                                       
CONECT   17   18   21   21   16                                       
CONECT   18   19   19   25   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   13   13   42                                       
CONECT   21   17   17   22   20                                       
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   25   26   22                                       
CONECT   25   18   29   24   24                                       
CONECT   26   27   27   24   43                                       
CONECT   27   28   26   26   44                                       
CONECT   28   29   29   27   45                                       
CONECT   29   25   28   28   46                                       
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
