COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.509  -1.008  -0.310  1.00  0.00           O  
HETATM    2  S   UNL     1       0.580   0.056  -0.458  1.00  0.00           S  
HETATM    3  O   UNL     1       0.916   1.433  -0.553  1.00  0.00           O  
HETATM    4  N   UNL     1      -0.287  -0.290  -1.825  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.940   0.789  -2.534  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.312   1.894  -1.544  1.00  0.00           C  
HETATM    7  C   UNL     1       0.007   1.364  -3.610  1.00  0.00           C  
HETATM    8  N   UNL     1       0.149   0.460  -4.683  1.00  0.00           N  
HETATM    9  C   UNL     1       0.800  -0.781  -4.279  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.242  -1.774  -3.817  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.371  -1.694  -2.282  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.519  -0.074   0.911  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.022  -0.050   2.221  1.00  0.00           C  
HETATM   14  C   UNL     1       1.349   0.088   2.501  1.00  0.00           C  
HETATM   15  C   UNL     1       2.353   0.205   1.383  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.922  -0.151   3.314  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.296  -0.285   3.063  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.744  -0.311   1.777  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.860  -0.206   0.705  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.402  -0.118   4.618  1.00  0.00           C  
HETATM   21  N   UNL     1       0.890   0.008   4.804  1.00  0.00           N  
HETATM   22  C   UNL     1       1.752   0.109   3.801  1.00  0.00           C  
HETATM   23  H   UNL     1      -1.844   0.412  -3.012  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.082   2.530  -1.982  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.691   1.446  -0.625  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.430   2.494  -1.320  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.401   2.303  -3.984  1.00  0.00           H  
HETATM   28  H   UNL     1       0.984   1.550  -3.166  1.00  0.00           H  
HETATM   29  H   UNL     1       0.758   0.902  -5.355  1.00  0.00           H  
HETATM   30  H   UNL     1       1.347  -1.196  -5.125  1.00  0.00           H  
HETATM   31  H   UNL     1       1.494  -0.578  -3.463  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.202  -1.535  -4.277  1.00  0.00           H  
HETATM   33  H   UNL     1       0.059  -2.781  -4.105  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.330  -2.113  -1.980  1.00  0.00           H  
HETATM   35  H   UNL     1       0.432  -2.269  -1.824  1.00  0.00           H  
HETATM   36  H   UNL     1       2.582  -0.786   0.994  1.00  0.00           H  
HETATM   37  H   UNL     1       1.938   0.821   0.585  1.00  0.00           H  
HETATM   38  H   UNL     1       3.266   0.667   1.761  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.994  -0.367   3.883  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.802  -0.414   1.584  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.243  -0.229  -0.304  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.065  -0.197   5.467  1.00  0.00           H  
HETATM   43  H   UNL     1       2.804   0.211   4.023  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   12                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   11                                            
CONECT    5    4    6    7   23                                       
CONECT    6    5   24   25   26                                       
CONECT    7    5    8   27   28                                       
CONECT    8    7    9   29                                            
CONECT    9    8   10   30   31                                       
CONECT   10    9   11   32   33                                       
CONECT   11    4   10   34   35                                       
CONECT   12    2   13   13   19                                       
CONECT   13   12   12   14   16                                       
CONECT   14   13   15   22   22                                       
CONECT   15   14   36   37   38                                       
CONECT   16   13   17   17   20                                       
CONECT   17   16   16   18   39                                       
CONECT   18   17   19   19   40                                       
CONECT   19   12   18   18   41                                       
CONECT   20   16   21   21   42                                       
CONECT   21   20   20   22                                            
CONECT   22   14   14   21   43                                       
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
