COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.698  -2.752   0.674  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.353  -1.016   0.994  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.915  -1.519   0.226  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.666  -3.452   1.238  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.204  -1.759   0.975  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.124   0.217   0.420  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.131   1.285   0.265  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.429   2.670  -0.436  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.828   0.295   0.020  1.00  0.00           C  
HETATM   10  C   UNL     1       2.463  -0.273  -0.577  1.00  0.00           C  
HETATM   11  C   UNL     1       3.149   1.871  -1.375  1.00  0.00           C  
HETATM   12  C   UNL     1       3.674  -0.405   0.071  1.00  0.00           C  
HETATM   13  C   UNL     1       7.212   1.692   0.255  1.00  0.00           C  
HETATM   14  C   UNL     1       6.374   2.979   0.206  1.00  0.00           C  
HETATM   15  O   UNL     1       5.782   0.631   2.248  1.00  0.00           O  
HETATM   16  S   UNL     1       6.132   0.377   0.894  1.00  0.00           S  
HETATM   17  O   UNL     1       6.600  -0.900   0.481  1.00  0.00           O  
HETATM   18  C   UNL     1       5.354   2.865  -0.913  1.00  0.00           C  
HETATM   19  C   UNL     1       4.378   1.741  -0.730  1.00  0.00           C  
HETATM   20  C   UNL     1       2.200   0.875  -1.300  1.00  0.00           C  
HETATM   21  C   UNL     1       4.625   0.603   0.002  1.00  0.00           C  
HETATM   22  C   UNL     1       1.437  -1.375  -0.502  1.00  0.00           C  
HETATM   23  C   UNL     1       1.496  -2.215  -1.779  1.00  0.00           C  
HETATM   24  C   UNL     1       2.892  -2.826  -1.924  1.00  0.00           C  
HETATM   25  C   UNL     1       0.455  -3.334  -1.703  1.00  0.00           C  
HETATM   26  N   UNL     1       0.101  -0.790  -0.364  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.204  -0.975   0.367  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.887  -2.984   1.391  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.471   1.116  -0.087  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.130  -0.124  -0.366  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.653  -1.108  -0.587  1.00  0.00           N  
HETATM   32  N   UNL     1      -7.033   2.362  -0.114  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.042   3.292   0.221  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.921   2.663   0.451  1.00  0.00           C  
HETATM   35  H   UNL     1      -5.202  -1.312   1.357  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.447  -4.450   1.588  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.025   2.655   0.476  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.487   3.659  -0.892  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.813   1.926  -1.134  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.353   1.136  -0.463  1.00  0.00           H  
HETATM   41  H   UNL     1       2.937   2.766  -1.941  1.00  0.00           H  
HETATM   42  H   UNL     1       3.883  -1.300   0.637  1.00  0.00           H  
HETATM   43  H   UNL     1       7.557   1.435  -0.747  1.00  0.00           H  
HETATM   44  H   UNL     1       8.065   1.828   0.918  1.00  0.00           H  
HETATM   45  H   UNL     1       5.859   3.115   1.156  1.00  0.00           H  
HETATM   46  H   UNL     1       7.027   3.832   0.020  1.00  0.00           H  
HETATM   47  H   UNL     1       4.799   3.801  -0.974  1.00  0.00           H  
HETATM   48  H   UNL     1       5.884   2.714  -1.854  1.00  0.00           H  
HETATM   49  H   UNL     1       1.253   0.992  -1.806  1.00  0.00           H  
HETATM   50  H   UNL     1       1.647  -2.009   0.360  1.00  0.00           H  
HETATM   51  H   UNL     1       1.286  -1.581  -2.641  1.00  0.00           H  
HETATM   52  H   UNL     1       3.102  -3.460  -1.062  1.00  0.00           H  
HETATM   53  H   UNL     1       2.934  -3.424  -2.834  1.00  0.00           H  
HETATM   54  H   UNL     1       3.633  -2.029  -1.978  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.539  -2.898  -1.600  1.00  0.00           H  
HETATM   56  H   UNL     1       0.498  -3.932  -2.613  1.00  0.00           H  
HETATM   57  H   UNL     1       0.665  -3.967  -0.842  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.071   0.108  -0.686  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.987   3.125   0.735  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   35                                            
CONECT    3   26    1    1   27                                       
CONECT    4    1   28   28   36                                       
CONECT    5   28    2   27   27                                       
CONECT    6    2    7    9    9                                       
CONECT    7    6   34   29   29                                       
CONECT    8   32   37   38   39                                       
CONECT    9    6    6   27   40                                       
CONECT   10   22   20   20   12                                       
CONECT   11   20   19   19   41                                       
CONECT   12   21   21   10   42                                       
CONECT   13   16   14   43   44                                       
CONECT   14   13   18   45   46                                       
CONECT   15   16   16                                                 
CONECT   16   21   17   17   15                                       
CONECT   16   15   13                                                 
CONECT   17   16   16                                                 
CONECT   18   14   19   47   48                                       
CONECT   19   11   11   21   18                                       
CONECT   20   10   10   11   49                                       
CONECT   21   19   12   12   16                                       
CONECT   22   23   26   10   50                                       
CONECT   23   25   24   22   51                                       
CONECT   24   23   52   53   54                                       
CONECT   25   23   55   56   57                                       
CONECT   26   22    3   58                                            
CONECT   27    9    3    5    5                                       
CONECT   28    4    4    5                                            
CONECT   29   32    7    7   30                                       
CONECT   30   29   31   31   31                                       
CONECT   31   30   30   30                                            
CONECT   32   33    8   29                                            
CONECT   33   34   34   32                                            
CONECT   34    7   33   33   59                                       
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
