COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.440   2.444  -0.904  1.00  0.00           O  
HETATM    2  C   UNL     1       2.402   1.376   0.045  1.00  0.00           C  
HETATM    3  C   UNL     1       3.593   0.442  -0.189  1.00  0.00           C  
HETATM    4  C   UNL     1       4.896   1.211   0.040  1.00  0.00           C  
HETATM    5  O   UNL     1       6.006   0.374  -0.291  1.00  0.00           O  
HETATM    6  O   UNL     1       3.521  -0.656   0.722  1.00  0.00           O  
HETATM    7  C   UNL     1       2.348  -1.460   0.576  1.00  0.00           C  
HETATM    8  O   UNL     1       2.292  -1.983  -0.752  1.00  0.00           O  
HETATM    9  C   UNL     1       3.283  -2.975  -1.029  1.00  0.00           C  
HETATM   10  C   UNL     1       1.108  -0.603   0.840  1.00  0.00           C  
HETATM   11  O   UNL     1       1.137  -0.122   2.186  1.00  0.00           O  
HETATM   12  C   UNL     1       1.102   0.585  -0.127  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.314   1.658   0.238  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.737   0.607  -0.163  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.016   1.450  -0.143  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.219   0.544  -0.424  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.249  -0.582   0.614  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.923  -1.346   0.566  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.755  -1.989  -0.812  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.936   2.462  -1.148  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.101  -0.016  -1.733  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.432  -0.026   1.918  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.844  -0.440   0.804  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.596  -2.825  -0.810  1.00  0.00           O  
HETATM   25  H   UNL     1       3.240   2.985  -0.855  1.00  0.00           H  
HETATM   26  H   UNL     1       2.451   1.783   1.054  1.00  0.00           H  
HETATM   27  H   UNL     1       3.566   0.068  -1.212  1.00  0.00           H  
HETATM   28  H   UNL     1       4.910   2.099  -0.592  1.00  0.00           H  
HETATM   29  H   UNL     1       4.964   1.508   1.086  1.00  0.00           H  
HETATM   30  H   UNL     1       6.867   0.797  -0.169  1.00  0.00           H  
HETATM   31  H   UNL     1       2.380  -2.283   1.290  1.00  0.00           H  
HETATM   32  H   UNL     1       3.173  -3.321  -2.057  1.00  0.00           H  
HETATM   33  H   UNL     1       4.275  -2.544  -0.895  1.00  0.00           H  
HETATM   34  H   UNL     1       3.156  -3.815  -0.347  1.00  0.00           H  
HETATM   35  H   UNL     1       0.211  -1.203   0.687  1.00  0.00           H  
HETATM   36  H   UNL     1       1.147  -0.822   2.853  1.00  0.00           H  
HETATM   37  H   UNL     1       1.029   0.220  -1.152  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.602   0.175  -1.154  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.130   1.915   0.836  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.138   1.126  -0.357  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.070  -1.263   0.390  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.922  -2.122   1.331  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.639  -1.209  -1.565  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.635  -2.589  -1.043  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.192   3.070  -1.036  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.076   0.642  -2.441  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.254   0.473   2.020  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.427  -3.266  -1.654  1.00  0.00           H  
CONECT    1    2   25                                                 
CONECT    2    1    3   12   26                                       
CONECT    3    2    4    6   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4   30                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8   10   31                                       
CONECT    8    7    9                                                 
CONECT    9    8   32   33   34                                       
CONECT   10    7   11   12   35                                       
CONECT   11   10   36                                                 
CONECT   12    2   10   13   37                                       
CONECT   13   12   14                                                 
CONECT   14   13   23   15   38                                       
CONECT   15   14   16   20   39                                       
CONECT   16   17   21   15   40                                       
CONECT   17   18   22   16   41                                       
CONECT   18   23   19   17   42                                       
CONECT   19   18   24   44   43                                       
CONECT   20   15   45                                                 
CONECT   21   16   46                                                 
CONECT   22   17   47                                                 
CONECT   23   14   18                                                 
CONECT   24   19   48                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
