COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.309   0.015  -0.204  1.00  0.00           N  
HETATM    2  S   UNL     1      -2.393  -0.814  -1.307  1.00  0.00           S  
HETATM    3  C   UNL     1      -4.208  -0.683   0.720  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.247   1.483  -0.107  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.861  -1.202  -0.528  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.056  -2.052  -1.529  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.092   0.104  -2.350  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.533   0.035   0.779  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.620   2.036  -0.487  1.00  0.00           C  
HETATM   10  C   UNL     1       0.196  -0.320  -0.612  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.723  -2.388   0.171  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.718   1.285   0.231  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.588  -0.604   1.415  1.00  0.00           C  
HETATM   14  C   UNL     1       1.409  -0.628   0.007  1.00  0.00           C  
HETATM   15  C   UNL     1       0.476  -2.700   0.786  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.961   1.899   0.331  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.823   0.006   1.508  1.00  0.00           C  
HETATM   18  C   UNL     1       2.546   0.312  -0.078  1.00  0.00           C  
HETATM   19  C   UNL     1       1.543  -1.829   0.706  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.008   1.264   0.966  1.00  0.00           C  
HETATM   21  N   UNL     1       3.715   0.011   0.520  1.00  0.00           N  
HETATM   22  O   UNL     1       2.426   1.357  -0.687  1.00  0.00           O  
HETATM   23  C   UNL     1       4.813   0.852   0.363  1.00  0.00           C  
HETATM   24  C   UNL     1       6.108   0.314   0.284  1.00  0.00           C  
HETATM   25  C   UNL     1       4.634   2.226   0.278  1.00  0.00           C  
HETATM   26  C   UNL     1       7.201   1.169   0.126  1.00  0.00           C  
HETATM   27  C   UNL     1       6.311  -1.143   0.367  1.00  0.00           C  
HETATM   28  C   UNL     1       5.725   3.058   0.123  1.00  0.00           C  
HETATM   29  C   UNL     1       7.004   2.531   0.050  1.00  0.00           C  
HETATM   30  O   UNL     1       7.560  -1.648   0.400  1.00  0.00           O  
HETATM   31  O   UNL     1       5.353  -1.889   0.405  1.00  0.00           O  
HETATM   32  H   UNL     1      -4.365  -1.704   0.371  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.763  -0.704   1.714  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.002   1.775   0.914  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.492   1.867  -0.793  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.668   3.091  -0.216  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.762   1.935  -1.563  1.00  0.00           H  
HETATM   38  H   UNL     1       0.085   0.607  -1.155  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.556  -3.073   0.237  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.443  -1.586   1.839  1.00  0.00           H  
HETATM   41  H   UNL     1       0.577  -3.627   1.330  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.108   2.881  -0.092  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.640  -0.497   2.003  1.00  0.00           H  
HETATM   44  H   UNL     1       2.479  -2.074   1.187  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.971   1.748   1.038  1.00  0.00           H  
HETATM   46  H   UNL     1       3.792  -0.791   1.060  1.00  0.00           H  
HETATM   47  H   UNL     1       3.640   2.645   0.334  1.00  0.00           H  
HETATM   48  H   UNL     1       8.200   0.763   0.065  1.00  0.00           H  
HETATM   49  H   UNL     1       5.580   4.126   0.058  1.00  0.00           H  
HETATM   50  H   UNL     1       7.851   3.190  -0.072  1.00  0.00           H  
HETATM   51  H   UNL     1       7.644  -2.610   0.454  1.00  0.00           H  
CONECT    1    3    2    4                                            
CONECT    2    1    5    7    7                                       
CONECT    2    6    6                                                 
CONECT    3    1    8   32   33                                       
CONECT    4    1    9   34   35                                       
CONECT    5    2   10   10   11                                       
CONECT    6    2    2                                                 
CONECT    7    2    2                                                 
CONECT    8    3   13   13   12                                       
CONECT    9    4   12   36   37                                       
CONECT   10    5    5   14   38                                       
CONECT   11    5   15   15   39                                       
CONECT   12    8    9   16   16                                       
CONECT   13    8    8   17   40                                       
CONECT   14   10   18   19   19                                       
CONECT   15   11   11   19   41                                       
CONECT   16   12   12   20   42                                       
CONECT   17   13   20   20   43                                       
CONECT   18   14   21   22   22                                       
CONECT   19   14   14   15   44                                       
CONECT   20   16   17   17   45                                       
CONECT   21   18   23   46                                            
CONECT   22   18   18                                                 
CONECT   23   21   24   24   25                                       
CONECT   24   23   23   26   27                                       
CONECT   25   23   28   28   47                                       
CONECT   26   24   29   29   48                                       
CONECT   27   24   31   31   30                                       
CONECT   28   25   25   29   49                                       
CONECT   29   26   26   28   50                                       
CONECT   30   27   51                                                 
CONECT   31   27   27                                                 
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
