COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.399  -1.669  -0.279  1.00  0.00           C  
HETATM    2  C   UNL     1       3.478  -3.601   0.384  1.00  0.00           C  
HETATM    3  C   UNL     1       4.439  -2.828   1.066  1.00  0.00           C  
HETATM    4  C   UNL     1       4.332  -1.478   1.043  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.657  -2.378   0.798  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.158  -1.263  -0.018  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.689   0.042   0.572  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.331   0.090   1.729  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.688  -1.294  -0.037  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.164  -2.559  -0.754  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.686  -2.664  -0.647  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.759  -2.492  -2.228  1.00  0.00           C  
HETATM   13  C   UNL     1       3.172   0.556   0.329  1.00  0.00           C  
HETATM   14  C   UNL     1       3.360   1.087  -1.115  1.00  0.00           C  
HETATM   15  C   UNL     1       2.592   2.430  -1.068  1.00  0.00           C  
HETATM   16  C   UNL     1       1.637   2.278   0.132  1.00  0.00           C  
HETATM   17  C   UNL     1       0.189   2.451  -0.330  1.00  0.00           C  
HETATM   18  N   UNL     1       3.300  -0.903   0.362  1.00  0.00           N  
HETATM   19  N   UNL     1       2.491  -2.998  -0.266  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.668   1.155  -0.187  1.00  0.00           N  
HETATM   21  N   UNL     1       3.564  -4.974   0.391  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.216   3.548  -0.586  1.00  0.00           O  
HETATM   23  O   UNL     1       1.479  -1.138  -0.879  1.00  0.00           O  
HETATM   24  O   UNL     1       4.743   1.301  -1.404  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.839   2.741   1.696  1.00  0.00           O  
HETATM   26  O   UNL     1       3.496   3.517  -0.857  1.00  0.00           O  
HETATM   27  O   UNL     1       1.826   0.956   0.663  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.679   2.425   0.805  1.00  0.00           O  
HETATM   29  S   UNL     1      -2.153   2.589   0.461  1.00  0.00           S  
HETATM   30  H   UNL     1       5.248  -3.304   1.600  1.00  0.00           H  
HETATM   31  H   UNL     1       5.055  -0.864   1.558  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.070  -2.367   1.718  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.817  -3.262   0.339  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.780  -1.359  -1.036  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.064  -1.293   0.986  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.062  -0.416  -0.563  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.706  -3.433  -0.291  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.026  -3.564  -1.160  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.974  -2.714   0.403  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.144  -1.788  -1.108  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.675  -2.418  -2.305  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.098  -3.394  -2.739  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.217  -1.618  -2.692  1.00  0.00           H  
HETATM   44  H   UNL     1       3.891   1.018   1.005  1.00  0.00           H  
HETATM   45  H   UNL     1       2.913   0.408  -1.840  1.00  0.00           H  
HETATM   46  H   UNL     1       2.027   2.579  -1.989  1.00  0.00           H  
HETATM   47  H   UNL     1       1.877   3.021   0.893  1.00  0.00           H  
HETATM   48  H   UNL     1       0.084   3.406  -0.846  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.076   1.641  -1.009  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.955   1.117  -1.113  1.00  0.00           H  
HETATM   51  H   UNL     1       4.286  -5.413   0.866  1.00  0.00           H  
HETATM   52  H   UNL     1       2.901  -5.504  -0.080  1.00  0.00           H  
HETATM   53  H   UNL     1       4.912   1.633  -2.296  1.00  0.00           H  
HETATM   54  H   UNL     1       4.155   3.621  -1.556  1.00  0.00           H  
CONECT    1   23   23   18   19                                       
CONECT    2   19   19    3   21                                       
CONECT    3    4    4    2   30                                       
CONECT    4   18    3    3   31                                       
CONECT    5    6   32   33                                            
CONECT    6    9    5    7   34                                       
CONECT    7    6   20    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   10    6   35   36                                       
CONECT   10   11    9   12   37                                       
CONECT   11   10   38   39   40                                       
CONECT   12   10   41   42   43                                       
CONECT   13   27   14   18   44                                       
CONECT   14   15   13   24   45                                       
CONECT   15   26   16   14   46                                       
CONECT   16   15   27   17   47                                       
CONECT   17   16   28   48   49                                       
CONECT   18   13    1    4                                            
CONECT   19    1    2    2                                            
CONECT   20    7   29   50                                            
CONECT   21    2   51   52                                            
CONECT   22   29   29                                                 
CONECT   23    1    1                                                 
CONECT   24   14   53                                                 
CONECT   25   29   29                                                 
CONECT   26   15   54                                                 
CONECT   27   16   13                                                 
CONECT   28   17   29                                                 
CONECT   29   28   20   22   22                                       
CONECT   29   25   25                                                 
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
