COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.352  -0.866   0.422  1.00  0.00           N  
HETATM    2  N   UNL     1       3.461  -2.832  -1.390  1.00  0.00           N  
HETATM    3  C   UNL     1       1.410  -1.519  -0.186  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.977  -1.481   0.437  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.026  -0.408   0.576  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.819   0.664   1.423  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.786   1.637   1.549  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.173   0.496  -0.018  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.960   2.850  -0.064  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.078  -2.449   1.618  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.467  -3.091   1.634  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.252   0.715  -2.293  1.00  0.00           O  
HETATM   13  S   UNL     1      -5.643   0.329  -0.982  1.00  0.00           S  
HETATM   14  O   UNL     1      -6.097  -0.989  -0.710  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.770   1.560  -0.262  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.980   2.650   1.078  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.980   1.559   0.834  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.199  -0.484  -0.147  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.014  -3.538   1.478  1.00  0.00           C  
HETATM   20  N   UNL     1       1.238  -2.705  -0.762  1.00  0.00           N  
HETATM   21  C   UNL     1       2.245  -3.332  -1.344  1.00  0.00           C  
HETATM   22  C   UNL     1       3.733  -1.650  -0.841  1.00  0.00           C  
HETATM   23  C   UNL     1       2.690  -0.946  -0.210  1.00  0.00           C  
HETATM   24  C   UNL     1       3.280   0.295   0.289  1.00  0.00           C  
HETATM   25  N   UNL     1       4.862  -0.886  -0.727  1.00  0.00           N  
HETATM   26  C   UNL     1       4.579   0.272  -0.051  1.00  0.00           C  
HETATM   27  S   UNL     1       5.745   1.541   0.317  1.00  0.00           S  
HETATM   28  O   UNL     1       5.232   2.243   1.442  1.00  0.00           O  
HETATM   29  O   UNL     1       7.025   0.926   0.302  1.00  0.00           O  
HETATM   30  N   UNL     1       5.723   2.608  -0.949  1.00  0.00           N  
HETATM   31  C   UNL     1       4.516   3.389  -1.229  1.00  0.00           C  
HETATM   32  H   UNL     1       0.492  -0.003   0.842  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.136  -2.026  -0.493  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.900   0.739   1.986  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.617   2.472   2.213  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.414   3.082  -0.978  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.636   3.672   0.175  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.920  -1.904   2.549  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.625  -3.636   0.703  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.539  -3.780   2.475  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.225  -2.315   1.734  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.145   1.205   0.698  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.602   1.745  -0.942  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.442   3.584   1.243  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.541   2.409   1.980  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.362  -1.316  -0.816  1.00  0.00           H  
HETATM   47  H   UNL     1       0.976  -3.081   1.467  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.086  -4.227   2.319  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.172  -4.083   0.547  1.00  0.00           H  
HETATM   50  H   UNL     1       2.062  -4.293  -1.800  1.00  0.00           H  
HETATM   51  H   UNL     1       2.768   1.080   0.827  1.00  0.00           H  
HETATM   52  H   UNL     1       5.734  -1.128  -1.074  1.00  0.00           H  
HETATM   53  H   UNL     1       6.511   2.716  -1.505  1.00  0.00           H  
HETATM   54  H   UNL     1       4.690   4.031  -2.092  1.00  0.00           H  
HETATM   55  H   UNL     1       3.687   2.713  -1.440  1.00  0.00           H  
HETATM   56  H   UNL     1       4.271   4.003  -0.363  1.00  0.00           H  
CONECT    1    3    4   32                                            
CONECT    2   21   22   22                                            
CONECT    3   23   23    1   20                                       
CONECT    4    1    5   10   33                                       
CONECT    5    4    6    6   18                                       
CONECT    6    5    5    7   34                                       
CONECT    7    6   17   17   35                                       
CONECT    8   17   18   18   13                                       
CONECT    9   15   16   36   37                                       
CONECT   10    4   19   11   38                                       
CONECT   11   10   39   40   41                                       
CONECT   12   13   13                                                 
CONECT   13    8   14   14   12                                       
CONECT   13   12   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13    9   42   43                                       
CONECT   16    9   17   44   45                                       
CONECT   17    7    7    8   16                                       
CONECT   18    8    8    5   46                                       
CONECT   19   10   47   48   49                                       
CONECT   20    3   21   21                                            
CONECT   21   20   20    2   50                                       
CONECT   22    2    2   23   25                                       
CONECT   23   24    3    3   22                                       
CONECT   24   26   26   23   51                                       
CONECT   25   22   26   52                                            
CONECT   26   27   24   24   25                                       
CONECT   27   30   28   28   29                                       
CONECT   27   29   26                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   31   27   53                                            
CONECT   31   30   54   55   56                                       
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
