COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.880  -1.289  -0.521  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.754  -1.158  -0.597  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.335  -0.993  -0.693  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.535  -1.435   0.301  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.078  -1.265   0.202  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.247  -1.722   1.232  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.884  -1.562   1.135  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.988  -2.053   2.243  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.518  -0.652  -0.924  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.153  -0.496  -1.013  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.548   0.165  -2.225  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.331  -0.947   0.016  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.950  -0.787  -0.078  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.389   0.476   0.029  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.191   1.526   0.115  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.690   2.752   0.219  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.227   4.011   0.324  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.189   4.893   0.400  1.00  0.00           C  
HETATM   19  N   UNL     1       0.942   4.253   0.349  1.00  0.00           N  
HETATM   20  C   UNL     1       0.704   2.924   0.237  1.00  0.00           C  
HETATM   21  C   UNL     1       1.517   1.781   0.143  1.00  0.00           C  
HETATM   22  N   UNL     1       2.897   1.891   0.156  1.00  0.00           N  
HETATM   23  C   UNL     1       3.692   0.738   0.156  1.00  0.00           C  
HETATM   24  C   UNL     1       4.908   0.746  -0.492  1.00  0.00           C  
HETATM   25  C   UNL     1       5.716  -0.409  -0.498  1.00  0.00           C  
HETATM   26  N   UNL     1       6.921  -0.609  -1.064  1.00  0.00           N  
HETATM   27  C   UNL     1       7.461  -1.761  -0.928  1.00  0.00           C  
HETATM   28  S   UNL     1       6.472  -2.813  -0.018  1.00  0.00           S  
HETATM   29  C   UNL     1       5.256  -1.552   0.165  1.00  0.00           C  
HETATM   30  C   UNL     1       4.024  -1.543   0.816  1.00  0.00           C  
HETATM   31  C   UNL     1       3.250  -0.407   0.817  1.00  0.00           C  
HETATM   32  N   UNL     1       0.933   0.591   0.048  1.00  0.00           N  
HETATM   33  H   UNL     1      -6.904  -0.520  -1.563  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.966  -1.912   1.169  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.675  -2.199   2.101  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.698  -3.085   2.045  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.097  -1.428   2.294  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.522  -2.002   3.192  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.155  -0.302  -1.723  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.543   1.246  -2.085  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.526  -0.189  -2.359  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.138  -0.085  -3.107  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.380  -1.560  -0.218  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.171   4.232   0.340  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.292   5.964   0.489  1.00  0.00           H  
HETATM   46  H   UNL     1       3.313   2.767   0.165  1.00  0.00           H  
HETATM   47  H   UNL     1       5.242   1.639  -0.998  1.00  0.00           H  
HETATM   48  H   UNL     1       8.422  -2.034  -1.339  1.00  0.00           H  
HETATM   49  H   UNL     1       3.678  -2.431   1.325  1.00  0.00           H  
HETATM   50  H   UNL     1       2.296  -0.404   1.323  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4    4    2   33                                       
CONECT    4    5    3    3   34                                       
CONECT    5    6    6    9    4                                       
CONECT    6    7    5    5   35                                       
CONECT    7    8   12   12    6                                       
CONECT    8    7   36   37   38                                       
CONECT    9   10   10    5   39                                       
CONECT   10   12   11    9    9                                       
CONECT   11   10   40   41   42                                       
CONECT   12   13    7    7   10                                       
CONECT   13   14   12   43                                            
CONECT   14   32   32   15   13                                       
CONECT   15   16   16   14                                            
CONECT   16   17   20   15   15                                       
CONECT   17   18   16   44                                            
CONECT   18   19   19   17   45                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   21   16                                       
CONECT   21   22   20   20   32                                       
CONECT   22   23   21   46                                            
CONECT   23   31   22   24   24                                       
CONECT   24   23   23   25   47                                       
CONECT   25   29   29   24   26                                       
CONECT   26   25   27   27                                            
CONECT   27   28   26   26   48                                       
CONECT   28   29   27                                                 
CONECT   29   30   25   25   28                                       
CONECT   30   31   31   29   49                                       
CONECT   31   30   30   23   50                                       
CONECT   32   21   14   14                                            
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
