COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.938  -0.043  -0.462  1.00  0.00           C  
HETATM    2  C   UNL     1       4.071   0.295  -1.205  1.00  0.00           C  
HETATM    3  C   UNL     1       1.741   0.682  -0.675  1.00  0.00           C  
HETATM    4  C   UNL     1       4.005   1.331  -2.143  1.00  0.00           C  
HETATM    5  C   UNL     1       1.700   1.696  -1.604  1.00  0.00           C  
HETATM    6  C   UNL     1       2.832   2.020  -2.339  1.00  0.00           C  
HETATM    7  C   UNL     1       3.201  -1.138   0.458  1.00  0.00           C  
HETATM    8  C   UNL     1       4.432  -1.605   0.426  1.00  0.00           C  
HETATM    9  S   UNL     1       5.413  -0.745  -0.745  1.00  0.00           S  
HETATM   10  C   UNL     1       4.934  -2.735   1.288  1.00  0.00           C  
HETATM   11  N   UNL     1       3.828  -3.656   1.582  1.00  0.00           N  
HETATM   12  N   UNL     1       5.997  -3.459   0.577  1.00  0.00           N  
HETATM   13  O   UNL     1       0.627   0.375   0.041  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.577   1.061  -0.306  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.620   2.391   0.401  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.088   2.515   1.671  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.185   3.487  -0.221  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.127   3.735   2.321  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.224   4.707   0.428  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.698   4.830   1.700  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.765   0.232   0.109  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.925  -0.397   1.278  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.991  -0.975   1.296  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.838  -0.002  -0.604  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.623  -0.788   0.167  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.955  -1.331  -0.197  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.657  -2.126   0.707  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.512  -1.042  -1.441  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.896  -2.628   0.363  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.751  -1.550  -1.775  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.441  -2.343  -0.876  1.00  0.00           C  
HETATM   32  H   UNL     1       4.882   1.592  -2.717  1.00  0.00           H  
HETATM   33  H   UNL     1       0.783   2.244  -1.761  1.00  0.00           H  
HETATM   34  H   UNL     1       2.791   2.817  -3.066  1.00  0.00           H  
HETATM   35  H   UNL     1       2.444  -1.538   1.117  1.00  0.00           H  
HETATM   36  H   UNL     1       3.402  -3.993   0.732  1.00  0.00           H  
HETATM   37  H   UNL     1       6.394  -4.181   1.159  1.00  0.00           H  
HETATM   38  H   UNL     1       5.655  -3.842  -0.291  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.606   1.222  -1.384  1.00  0.00           H  
HETATM   40  H   UNL     1       0.358   1.659   2.156  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.597   3.391  -1.215  1.00  0.00           H  
HETATM   42  H   UNL     1       0.288   3.832   3.313  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.666   5.564  -0.059  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.729   5.783   2.208  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.232  -2.350   1.674  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.974  -0.423  -2.144  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.440  -3.246   1.062  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.183  -1.327  -2.739  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.411  -2.738  -1.141  1.00  0.00           H  
HETATM   50  H   UNL     1       5.330  -2.333   2.221  1.00  0.00           H  
HETATM   51  H   UNL     1       4.139  -4.423   2.159  1.00  0.00           H  
CONECT    1    3    3    7    2                                       
CONECT    2    1    4    4    9                                       
CONECT    3    1    1   13    5                                       
CONECT    4    2    2    6   32                                       
CONECT    5    3    6    6   33                                       
CONECT    6    4    5    5   34                                       
CONECT    7    1    8    8   35                                       
CONECT    8    7    7   10    9                                       
CONECT    9    2    8                                                 
CONECT   10    8   11   12   50                                       
CONECT   11   10   36   51                                            
CONECT   12   10   37   38                                            
CONECT   13    3   14                                                 
CONECT   14   13   21   15   39                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   40                                       
CONECT   17   15   19   19   41                                       
CONECT   18   16   20   20   42                                       
CONECT   19   17   17   20   43                                       
CONECT   20   18   18   19   44                                       
CONECT   21   14   22   24   24                                       
CONECT   22   21   23                                                 
CONECT   23   22   25   25                                            
CONECT   24   21   21   25                                            
CONECT   25   23   23   24   26                                       
CONECT   26   25   28   28   27                                       
CONECT   27   26   29   29   45                                       
CONECT   28   26   26   30   46                                       
CONECT   29   27   27   31   47                                       
CONECT   30   28   31   31   48                                       
CONECT   31   29   30   30   49                                       
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
