COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.859   0.592  -1.494  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.605  -0.874  -1.138  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.434   0.108  -1.219  1.00  0.00           C  
HETATM    4  S   UNL     1      -5.662   0.620   0.341  1.00  0.00           S  
HETATM    5  O   UNL     1      -5.405   2.018   0.334  1.00  0.00           O  
HETATM    6  O   UNL     1      -6.306  -0.001   1.444  1.00  0.00           O  
HETATM    7  N   UNL     1      -4.158  -0.072   0.304  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.184   0.347  -0.708  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.844  -0.127  -0.324  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.775  -0.505  -0.018  1.00  0.00           C  
HETATM   11  C   UNL     1       0.528  -0.965   0.355  1.00  0.00           C  
HETATM   12  C   UNL     1       1.619  -0.703  -0.430  1.00  0.00           C  
HETATM   13  C   UNL     1       0.733  -1.726   1.591  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.326  -2.013   2.418  1.00  0.00           N  
HETATM   15  N   UNL     1       1.957  -2.133   1.897  1.00  0.00           N  
HETATM   16  C   UNL     1       2.986  -1.858   1.098  1.00  0.00           C  
HETATM   17  O   UNL     1       4.098  -2.248   1.412  1.00  0.00           O  
HETATM   18  N   UNL     1       2.839  -1.159  -0.039  1.00  0.00           N  
HETATM   19  C   UNL     1       4.012  -0.883  -0.872  1.00  0.00           C  
HETATM   20  C   UNL     1       4.735  -2.150  -1.367  1.00  0.00           C  
HETATM   21  O   UNL     1       3.880  -2.049  -2.523  1.00  0.00           O  
HETATM   22  C   UNL     1       3.676  -0.632  -2.355  1.00  0.00           C  
HETATM   23  C   UNL     1       4.946   0.164  -0.262  1.00  0.00           C  
HETATM   24  C   UNL     1       4.227   1.485  -0.167  1.00  0.00           C  
HETATM   25  O   UNL     1       3.069   1.567  -0.500  1.00  0.00           O  
HETATM   26  O   UNL     1       4.874   2.570   0.286  1.00  0.00           O  
HETATM   27  C   UNL     1       4.120   3.809   0.350  1.00  0.00           C  
HETATM   28  C   UNL     1       5.017   4.926   0.886  1.00  0.00           C  
HETATM   29  H   UNL     1      -8.122   0.821  -2.526  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.333   1.219  -0.738  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.911  -1.212  -0.147  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.701  -1.610  -1.936  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.760   0.017  -2.070  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.922  -0.754   0.952  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.457  -0.079  -1.673  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.178   1.434  -0.779  1.00  0.00           H  
HETATM   37  H   UNL     1       1.511  -0.142  -1.347  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.219  -1.712   2.186  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.181  -2.517   3.234  1.00  0.00           H  
HETATM   40  H   UNL     1       5.792  -1.997  -1.585  1.00  0.00           H  
HETATM   41  H   UNL     1       4.547  -3.032  -0.755  1.00  0.00           H  
HETATM   42  H   UNL     1       2.649  -0.311  -2.526  1.00  0.00           H  
HETATM   43  H   UNL     1       4.410  -0.016  -2.875  1.00  0.00           H  
HETATM   44  H   UNL     1       5.249  -0.157   0.735  1.00  0.00           H  
HETATM   45  H   UNL     1       5.829   0.274  -0.892  1.00  0.00           H  
HETATM   46  H   UNL     1       3.769   4.072  -0.648  1.00  0.00           H  
HETATM   47  H   UNL     1       3.265   3.679   1.013  1.00  0.00           H  
HETATM   48  H   UNL     1       4.451   5.856   0.934  1.00  0.00           H  
HETATM   49  H   UNL     1       5.368   4.662   1.884  1.00  0.00           H  
HETATM   50  H   UNL     1       5.872   5.055   0.223  1.00  0.00           H  
CONECT    1    2    3   29   30                                       
CONECT    2    1    3   31   32                                       
CONECT    3    1    2    4   33                                       
CONECT    4    3    5    5    6                                       
CONECT    4    6    7                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    4    8   34                                            
CONECT    8    7    9   35   36                                       
CONECT    9    8   10   10   10                                       
CONECT   10    9    9    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   18   37                                       
CONECT   13   11   14   15   15                                       
CONECT   14   13   38   39                                            
CONECT   15   13   13   16                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   12   16   19                                            
CONECT   19   18   20   22   23                                       
CONECT   20   19   21   40   41                                       
CONECT   21   20   22                                                 
CONECT   22   19   21   42   43                                       
CONECT   23   19   24   44   45                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   46   47                                       
CONECT   28   27   48   49   50                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
