COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.106   0.319   0.399  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.345   1.354  -0.188  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.335   2.095  -0.685  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.017   1.674  -0.524  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.644   0.592   0.082  1.00  0.00           N  
HETATM    6  N   UNL     1       0.715   0.371   0.124  1.00  0.00           N  
HETATM    7  C   UNL     1       1.448   1.275  -0.448  1.00  0.00           C  
HETATM    8  N   UNL     1       2.835   1.257  -0.526  1.00  0.00           N  
HETATM    9  C   UNL     1       3.587   0.150   0.071  1.00  0.00           C  
HETATM   10  C   UNL     1       3.927   0.466   1.545  1.00  0.00           C  
HETATM   11  C   UNL     1       5.366  -0.088   1.696  1.00  0.00           C  
HETATM   12  N   UNL     1       5.993   0.235   0.388  1.00  0.00           N  
HETATM   13  C   UNL     1       7.109  -0.563   0.160  1.00  0.00           C  
HETATM   14  C   UNL     1       8.188  -0.528   1.042  1.00  0.00           C  
HETATM   15  C   UNL     1       9.275  -1.343   0.770  1.00  0.00           C  
HETATM   16  C   UNL     1       9.224  -2.142  -0.363  1.00  0.00           C  
HETATM   17  N   UNL     1       8.162  -2.112  -1.144  1.00  0.00           N  
HETATM   18  N   UNL     1       7.149  -1.365  -0.895  1.00  0.00           N  
HETATM   19  C   UNL     1       4.949  -0.009  -0.631  1.00  0.00           C  
HETATM   20  S   UNL     1       0.405   2.525  -1.118  1.00  0.00           S  
HETATM   21  C   UNL     1      -4.771   1.806  -0.368  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.699   0.804   0.269  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.179  -0.257  -0.472  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.040  -1.184   0.120  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.557  -2.322  -0.666  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.387  -3.215  -0.093  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.234  -2.454  -1.830  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.408  -1.030   1.458  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.921   0.035   2.186  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.064   0.947   1.595  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.526   2.922  -1.154  1.00  0.00           H  
HETATM   32  H   UNL     1       3.305   1.976  -0.975  1.00  0.00           H  
HETATM   33  H   UNL     1       3.016  -0.775   0.002  1.00  0.00           H  
HETATM   34  H   UNL     1       3.907   1.541   1.724  1.00  0.00           H  
HETATM   35  H   UNL     1       3.241  -0.048   2.218  1.00  0.00           H  
HETATM   36  H   UNL     1       5.890   0.416   2.508  1.00  0.00           H  
HETATM   37  H   UNL     1       5.348  -1.166   1.858  1.00  0.00           H  
HETATM   38  H   UNL     1       8.176   0.114   1.911  1.00  0.00           H  
HETATM   39  H   UNL     1      10.138  -1.355   1.420  1.00  0.00           H  
HETATM   40  H   UNL     1      10.054  -2.789  -0.606  1.00  0.00           H  
HETATM   41  H   UNL     1       5.046  -1.020  -1.027  1.00  0.00           H  
HETATM   42  H   UNL     1       5.039   0.719  -1.437  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.906   2.778   0.106  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.996   1.885  -1.431  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.891  -0.369  -1.506  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.699  -3.943  -0.647  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.073  -1.744   1.921  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.206   0.155   3.221  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.682   1.777   2.172  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   21                                       
CONECT    3    4    2   31                                            
CONECT    4   20    3    5    5                                       
CONECT    5    6    4    4                                            
CONECT    6    7    7    5                                            
CONECT    7    8   20    6    6                                       
CONECT    8    9    7   32                                            
CONECT    9   10    8   19   33                                       
CONECT   10   11    9   34   35                                       
CONECT   11   12   10   36   37                                       
CONECT   12   11   13   19                                            
CONECT   13   18   12   14   14                                       
CONECT   14   13   13   15   38                                       
CONECT   15   16   16   14   39                                       
CONECT   16   17   15   15   40                                       
CONECT   17   18   18   16                                            
CONECT   18   17   17   13                                            
CONECT   19   12    9   41   42                                       
CONECT   20    7    4                                                 
CONECT   21    2   22   43   44                                       
CONECT   22   23   21   30   30                                       
CONECT   23   24   24   22   45                                       
CONECT   24   25   23   23   28                                       
CONECT   25   27   27   26   24                                       
CONECT   26   25   46                                                 
CONECT   27   25   25                                                 
CONECT   28   24   29   29   47                                       
CONECT   29   28   28   30   48                                       
CONECT   30   22   22   29   49                                       
CONECT   31    3                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
