COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.555  -1.693  -2.020  1.00  0.00           O  
HETATM    2  C   UNL     1       2.735  -1.253  -0.672  1.00  0.00           C  
HETATM    3  C   UNL     1       4.083  -0.536  -0.543  1.00  0.00           C  
HETATM    4  O   UNL     1       4.136   0.551  -1.469  1.00  0.00           O  
HETATM    5  C   UNL     1       4.229  -0.001   0.885  1.00  0.00           C  
HETATM    6  O   UNL     1       4.241  -1.094   1.805  1.00  0.00           O  
HETATM    7  C   UNL     1       3.049   0.920   1.200  1.00  0.00           C  
HETATM    8  C   UNL     1       3.069   2.120   0.251  1.00  0.00           C  
HETATM    9  O   UNL     1       1.826   0.200   1.031  1.00  0.00           O  
HETATM   10  C   UNL     1       1.612  -0.283  -0.296  1.00  0.00           C  
HETATM   11  S   UNL     1       0.017  -1.144  -0.377  1.00  0.00           S  
HETATM   12  C   UNL     1      -1.184   0.205  -0.208  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.602  -0.366  -0.257  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.834  -1.266   0.959  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.202  -1.797   0.923  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.194  -0.716   0.989  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.033   0.200  -0.226  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.984   1.264  -0.150  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.616   0.782  -0.238  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.443   1.593  -1.401  1.00  0.00           O  
HETATM   21  H   UNL     1       1.721  -2.157  -2.174  1.00  0.00           H  
HETATM   22  H   UNL     1       2.714  -2.113  -0.002  1.00  0.00           H  
HETATM   23  H   UNL     1       4.890  -1.237  -0.755  1.00  0.00           H  
HETATM   24  H   UNL     1       4.042   0.285  -2.394  1.00  0.00           H  
HETATM   25  H   UNL     1       5.162   0.557   0.970  1.00  0.00           H  
HETATM   26  H   UNL     1       4.962  -1.722   1.661  1.00  0.00           H  
HETATM   27  H   UNL     1       3.125   1.270   2.230  1.00  0.00           H  
HETATM   28  H   UNL     1       4.047   2.600   0.293  1.00  0.00           H  
HETATM   29  H   UNL     1       2.875   1.781  -0.767  1.00  0.00           H  
HETATM   30  H   UNL     1       1.608   0.556  -0.992  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.029   0.712   0.745  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.049   0.916  -1.023  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.729  -0.948  -1.170  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.123  -2.092   0.940  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.693  -0.687   1.871  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.349  -2.468   1.662  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.197  -1.142   0.992  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.041  -0.140   1.901  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.198  -0.372  -1.138  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.905   0.968  -0.137  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.464   1.388   0.655  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.057   2.338  -1.456  1.00  0.00           H  
HETATM   43  O   UNL     1       2.062   3.055   0.642  1.00  0.00           O  
HETATM   44  H   UNL     1       2.018   3.842   0.083  1.00  0.00           H  
CONECT    1    2   21                                                 
CONECT    2   10    1    3   22                                       
CONECT    3    2    5    4   23                                       
CONECT    4    3   24                                                 
CONECT    5    7    3    6   25                                       
CONECT    6    5   26                                                 
CONECT    7    9    8    5   27                                       
CONECT    8    7   28   29   43                                       
CONECT    9   10    7                                                 
CONECT   10   11    9    2   30                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   31   32                                       
CONECT   13   19   14   12   33                                       
CONECT   14   15   13   34   35                                       
CONECT   15   16   14   36                                            
CONECT   16   17   15   37   38                                       
CONECT   17   18   16   19   39                                       
CONECT   18   17   40                                                 
CONECT   19   17   20   13   41                                       
CONECT   20   19   42                                                 
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43    8   44                                                 
CONECT   44   43                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
