COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.740   1.082   3.086  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.729   0.522   2.711  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.949  -0.125   3.599  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.360   0.543   1.281  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.047   0.824   0.901  1.00  0.00           C  
HETATM    6  C   UNL     1       0.292   0.843  -0.443  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.674   0.583  -1.407  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.975   0.305  -1.031  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.322   0.277   0.304  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.741  -0.027   0.708  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.658   1.010   0.118  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.736   2.260   0.709  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.570   3.228   0.184  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.334   2.949  -0.940  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.154   3.901  -1.458  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.259   1.700  -1.533  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.420   0.727  -1.004  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.361  -0.489  -1.598  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.113  -1.400   0.219  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.904  -1.561  -0.908  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.236  -2.839  -1.342  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.656  -2.511   0.907  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.985  -3.781   0.476  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.777  -3.948  -0.651  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.102  -5.197  -1.076  1.00  0.00           O  
HETATM   26  N   UNL     1       1.608   1.124  -0.829  1.00  0.00           N  
HETATM   27  C   UNL     1       2.637   0.525  -0.198  1.00  0.00           C  
HETATM   28  S   UNL     1       2.343  -0.493   1.146  1.00  0.00           S  
HETATM   29  N   UNL     1       3.899   0.727  -0.627  1.00  0.00           N  
HETATM   30  H   UNL     1      -1.234  -0.115   4.523  1.00  0.00           H  
HETATM   31  H   UNL     1       0.703   1.027   1.652  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.408   0.598  -2.453  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.722   0.104  -1.785  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.820   0.001   1.795  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.142   2.478   1.584  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.627   4.201   0.649  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.735   4.461  -2.125  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.853   1.482  -2.408  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.853  -2.967  -2.219  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.040  -2.384   1.785  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.625  -4.644   1.016  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.919  -5.543  -0.693  1.00  0.00           H  
HETATM   43  H   UNL     1       1.778   1.750  -1.550  1.00  0.00           H  
HETATM   44  H   UNL     1       4.066   1.304  -1.389  1.00  0.00           H  
HETATM   45  C   UNL     1       5.018   0.076   0.058  1.00  0.00           C  
HETATM   46  C   UNL     1       6.331   0.470  -0.622  1.00  0.00           C  
HETATM   47  C   UNL     1       7.500  -0.210   0.093  1.00  0.00           C  
HETATM   48  C   UNL     1       8.813   0.183  -0.587  1.00  0.00           C  
HETATM   49  C   UNL     1       9.982  -0.497   0.128  1.00  0.00           C  
HETATM   50  C   UNL     1      11.275  -0.109  -0.542  1.00  0.00           C  
HETATM   51  O   UNL     1      12.440  -0.590  -0.081  1.00  0.00           O  
HETATM   52  O   UNL     1      11.263   0.634  -1.494  1.00  0.00           O  
HETATM   53  H   UNL     1       5.041   0.394   1.101  1.00  0.00           H  
HETATM   54  H   UNL     1       4.894  -1.006   0.010  1.00  0.00           H  
HETATM   55  H   UNL     1       6.309   0.152  -1.665  1.00  0.00           H  
HETATM   56  H   UNL     1       6.455   1.551  -0.574  1.00  0.00           H  
HETATM   57  H   UNL     1       7.522   0.107   1.136  1.00  0.00           H  
HETATM   58  H   UNL     1       7.376  -1.292   0.045  1.00  0.00           H  
HETATM   59  H   UNL     1       8.791  -0.134  -1.630  1.00  0.00           H  
HETATM   60  H   UNL     1       8.937   1.265  -0.539  1.00  0.00           H  
HETATM   61  H   UNL     1      10.004  -0.180   1.171  1.00  0.00           H  
HETATM   62  H   UNL     1       9.858  -1.579   0.080  1.00  0.00           H  
HETATM   63  H   UNL     1      13.243  -0.314  -0.544  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   30                                                 
CONECT    4    5    5    9    2                                       
CONECT    5    6    4    4   31                                       
CONECT    6   26    7    7    5                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8    4   10                                       
CONECT   10    9   19   11   34                                       
CONECT   11   10   12   12   17                                       
CONECT   12   11   11   13   35                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13   16   15                                       
CONECT   15   14   37                                                 
CONECT   16   17   17   14   38                                       
CONECT   17   11   18   16   16                                       
CONECT   18   20   17                                                 
CONECT   19   22   10   20   20                                       
CONECT   20   19   19   21   18                                       
CONECT   21   24   24   20   39                                       
CONECT   22   23   23   19   40                                       
CONECT   23   22   22   24   41                                       
CONECT   24   23   25   21   21                                       
CONECT   25   24   42                                                 
CONECT   26   27    6   43                                            
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   27   44   45                                            
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   29                                                      
CONECT   45   29   46   53   54                                       
CONECT   46   45   47   55   56                                       
CONECT   47   46   48   57   58                                       
CONECT   48   47   49   59   60                                       
CONECT   49   48   50   61   62                                       
CONECT   50   49   51   52   52                                       
CONECT   51   50   63                                                 
CONECT   52   50   50                                                 
CONECT   53   45                                                      
CONECT   54   45                                                      
CONECT   55   46                                                      
CONECT   56   46                                                      
CONECT   57   47                                                      
CONECT   58   47                                                      
CONECT   59   48                                                      
CONECT   60   48                                                      
CONECT   61   49                                                      
CONECT   62   49                                                      
CONECT   63   51                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
