COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.779  -0.722   0.582  1.00  0.00           C  
HETATM    2  C   UNL     1       4.560  -1.266  -0.420  1.00  0.00           C  
HETATM    3  C   UNL     1       3.993  -2.106  -1.361  1.00  0.00           C  
HETATM    4  C   UNL     1       2.644  -2.402  -1.298  1.00  0.00           C  
HETATM    5  C   UNL     1       1.863  -1.858  -0.296  1.00  0.00           C  
HETATM    6  C   UNL     1       2.430  -1.018   0.644  1.00  0.00           C  
HETATM    7  S   UNL     1       1.436  -0.330   1.925  1.00  0.00           S  
HETATM    8  O   UNL     1       0.317  -1.194   2.073  1.00  0.00           O  
HETATM    9  O   UNL     1       2.319  -0.013   2.993  1.00  0.00           O  
HETATM   10  N   UNL     1       0.843   1.111   1.366  1.00  0.00           N  
HETATM   11  C   UNL     1       0.029   1.138   0.240  1.00  0.00           C  
HETATM   12  C   UNL     1       0.118   2.204  -0.672  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.707   2.219  -1.802  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.592   1.202  -2.017  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.684   0.144  -1.117  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.871   0.109   0.006  1.00  0.00           C  
HETATM   17  C   UNL     1       1.071   3.298  -0.438  1.00  0.00           C  
HETATM   18  O   UNL     1       1.153   4.319  -1.315  1.00  0.00           O  
HETATM   19  O   UNL     1       1.786   3.283   0.545  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.568  -0.860  -1.342  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.719  -0.870  -0.620  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.690  -1.828  -0.873  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.857  -1.840  -0.134  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.058  -0.897   0.857  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.093   0.059   1.111  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.924   0.075   0.375  1.00  0.00           C  
HETATM   27  C   UNL     1       4.844  -2.698  -2.454  1.00  0.00           C  
HETATM   28  H   UNL     1       4.223  -0.069   1.319  1.00  0.00           H  
HETATM   29  H   UNL     1       5.614  -1.035  -0.469  1.00  0.00           H  
HETATM   30  H   UNL     1       2.200  -3.057  -2.033  1.00  0.00           H  
HETATM   31  H   UNL     1       0.809  -2.089  -0.247  1.00  0.00           H  
HETATM   32  H   UNL     1       1.063   1.937   1.824  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.643   3.036  -2.505  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.226   1.219  -2.892  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.945  -0.714   0.702  1.00  0.00           H  
HETATM   36  H   UNL     1       1.795   5.016  -1.119  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.534  -2.565  -1.648  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.613  -2.586  -0.331  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.971  -0.908   1.434  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.253   0.795   1.885  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.168   0.819   0.577  1.00  0.00           H  
HETATM   42  H   UNL     1       5.255  -3.651  -2.118  1.00  0.00           H  
HETATM   43  H   UNL     1       4.235  -2.859  -3.343  1.00  0.00           H  
HETATM   44  H   UNL     1       5.659  -2.014  -2.690  1.00  0.00           H  
CONECT    1    2    6    6   28                                       
CONECT    2    3    3    1   29                                       
CONECT    3   27    2    2    4                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   10    9    9                                       
CONECT    7    8    8                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   11    7   32                                            
CONECT   11   12   12   16   10                                       
CONECT   12   13   17   11   11                                       
CONECT   13   14   14   12   33                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   20   16   16                                       
CONECT   16   15   15   11   35                                       
CONECT   17   12   19   19   18                                       
CONECT   18   17   36                                                 
CONECT   19   17   17                                                 
CONECT   20   21   15                                                 
CONECT   21   22   22   26   20                                       
CONECT   22   23   21   21   37                                       
CONECT   23   24   24   22   38                                       
CONECT   24   23   23   25   39                                       
CONECT   25   24   26   26   40                                       
CONECT   26   25   25   21   41                                       
CONECT   27    3   42   43   44                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
