COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.185   3.298  -0.331  1.00  0.00           N  
HETATM    2  CA  UNL     1      -4.995   2.268   0.333  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.653   3.861   1.075  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.292  -2.659   0.383  1.00  0.00           O  
HETATM    5  S   UNL     1      -4.930  -1.645  -0.544  1.00  0.00           S  
HETATM    6  O   UNL     1      -5.550  -1.495  -1.814  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.121  -0.201   0.243  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.820   0.954  -0.384  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.410   0.935  -1.525  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.469   2.677   0.297  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.441  -1.819  -0.811  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.681  -2.176   0.346  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.208  -2.324  -0.038  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.673  -1.046  -0.423  1.00  0.00           O  
HETATM   15  C   UNL     1       0.706  -1.021   0.004  1.00  0.00           C  
HETATM   16  C   UNL     1       0.668  -1.709   1.392  1.00  0.00           C  
HETATM   17  O   UNL     1       1.938  -2.282   1.712  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.396  -2.813   1.178  1.00  0.00           C  
HETATM   19  O   UNL     1       0.231  -4.064   0.890  1.00  0.00           O  
HETATM   20  N   UNL     1       1.185   0.359   0.121  1.00  0.00           N  
HETATM   21  C   UNL     1       0.414   1.466   0.319  1.00  0.00           C  
HETATM   22  N   UNL     1       1.166   2.527   0.375  1.00  0.00           N  
HETATM   23  C   UNL     1       2.463   2.170   0.218  1.00  0.00           C  
HETATM   24  C   UNL     1       3.683   2.869   0.191  1.00  0.00           C  
HETATM   25  N   UNL     1       3.713   4.244   0.348  1.00  0.00           N  
HETATM   26  N   UNL     1       4.805   2.183   0.012  1.00  0.00           N  
HETATM   27  C   UNL     1       4.785   0.863  -0.140  1.00  0.00           C  
HETATM   28  N   UNL     1       3.659   0.166  -0.121  1.00  0.00           N  
HETATM   29  C   UNL     1       2.492   0.773   0.059  1.00  0.00           C  
HETATM   30  C   UNL     1       6.068   0.146  -0.337  1.00  0.00           C  
HETATM   31  C   UNL     1       6.087  -1.238  -0.500  1.00  0.00           C  
HETATM   32  N   UNL     1       7.226  -1.876  -0.675  1.00  0.00           N  
HETATM   33  C   UNL     1       8.382  -1.242  -0.705  1.00  0.00           C  
HETATM   34  C   UNL     1       8.446   0.131  -0.552  1.00  0.00           C  
HETATM   35  C   UNL     1       7.277   0.848  -0.369  1.00  0.00           C  
HETATM   36  H1  UNL     1      -4.465   3.415  -1.293  1.00  0.00           H  
HETATM   37  H2  UNL     1      -4.233   4.174   0.169  1.00  0.00           H  
HETATM   38  HA  UNL     1      -4.672   2.163   1.368  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.566   4.179   1.097  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.449  -0.186   1.156  1.00  0.00           H  
HETATM   41  H1  UNL     1      -6.768   2.868  -0.733  1.00  0.00           H  
HETATM   42  H2  UNL     1      -7.078   1.873   0.709  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.784  -1.398   1.102  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.050  -3.121   0.745  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.108  -3.031  -0.861  1.00  0.00           H  
HETATM   46  H   UNL     1       1.332  -1.586  -0.688  1.00  0.00           H  
HETATM   47  H   UNL     1       0.353  -1.009   2.165  1.00  0.00           H  
HETATM   48  H   UNL     1       1.941  -2.800   2.529  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.038  -2.899   2.055  1.00  0.00           H  
HETATM   50  H   UNL     1       0.801  -4.391   1.599  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.661   1.463   0.413  1.00  0.00           H  
HETATM   52  H   UNL     1       2.887   4.736   0.479  1.00  0.00           H  
HETATM   53  H   UNL     1       4.560   4.716   0.328  1.00  0.00           H  
HETATM   54  H   UNL     1       5.160  -1.792  -0.481  1.00  0.00           H  
HETATM   55  H   UNL     1       9.293  -1.804  -0.851  1.00  0.00           H  
HETATM   56  H   UNL     1       9.399   0.639  -0.578  1.00  0.00           H  
HETATM   57  H   UNL     1       7.297   1.920  -0.247  1.00  0.00           H  
CONECT    1    2   36   37                                            
CONECT    2    8   10    1   38                                       
CONECT    3   10   39                                                 
CONECT    4    5    5                                                 
CONECT    5    4    4   11    6                                       
CONECT    5    6    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    8   40                                            
CONECT    8    7    9    9    2                                       
CONECT    9    8    8                                                 
CONECT   10    3    2   41   42                                       
CONECT   11   12    5                                                 
CONECT   12   13   11   43   44                                       
CONECT   13   18   14   12   45                                       
CONECT   14   15   13                                                 
CONECT   15   16   20   14   46                                       
CONECT   16   17   18   15   47                                       
CONECT   17   16   48                                                 
CONECT   18   16   19   13   49                                       
CONECT   19   18   50                                                 
CONECT   20   29   15   21                                            
CONECT   21   20   22   22   51                                       
CONECT   22   23   21   21                                            
CONECT   23   24   24   29   22                                       
CONECT   24   26   25   23   23                                       
CONECT   25   24   52   53                                            
CONECT   26   27   27   24                                            
CONECT   27   30   26   26   28                                       
CONECT   28   27   29   29                                            
CONECT   29   28   28   23   20                                       
CONECT   30   31   31   35   27                                       
CONECT   31   32   30   30   54                                       
CONECT   32   33   33   31                                            
CONECT   33   32   32   34   55                                       
CONECT   34   33   35   35   56                                       
CONECT   35   34   34   30   57                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    7                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   31                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
