COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.431  -0.963  -0.265  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.924   0.443  -0.045  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.155   0.902   1.238  1.00  0.00           C  
HETATM    4  N   UNL     1       7.077  -0.734  -0.436  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.142   1.276  -1.127  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.946  -1.020  -0.013  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.728  -0.392  -0.580  1.00  0.00           C  
HETATM    8  C   UNL     1       0.763  -0.227  -0.501  1.00  0.00           C  
HETATM    9  C   UNL     1       3.076  -0.610   0.283  1.00  0.00           C  
HETATM   10  C   UNL     1       3.253   0.276   1.534  1.00  0.00           C  
HETATM   11  C   UNL     1       4.747   0.662   1.544  1.00  0.00           C  
HETATM   12  C   UNL     1       4.479  -0.684  -0.356  1.00  0.00           C  
HETATM   13  C   UNL     1       6.557   0.388   0.037  1.00  0.00           C  
HETATM   14  C   UNL     1       7.399   1.423   0.442  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.512  -1.676   0.910  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.595   2.567  -0.925  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.830   3.024   0.358  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.608   2.193   1.440  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.100  -1.849   0.635  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.261  -3.177   0.130  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.100  -0.340  -0.813  1.00  0.00           N  
HETATM   22  S   UNL     1      -0.500   0.436  -1.531  1.00  0.00           S  
HETATM   23  N   UNL     1       0.220  -0.959   0.422  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.154  -1.053   0.375  1.00  0.00           N  
HETATM   25  N   UNL     1       2.125   0.005  -0.646  1.00  0.00           N  
HETATM   26  N   UNL     1       5.177   0.535   0.128  1.00  0.00           N  
HETATM   27  N   UNL     1       8.345  -0.909  -0.536  1.00  0.00           N  
HETATM   28  C   UNL     1       9.213   0.016  -0.177  1.00  0.00           C  
HETATM   29  C   UNL     1       8.766   1.228   0.331  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.636  -1.264  -1.292  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.980   0.253   2.084  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.958   0.919  -2.129  1.00  0.00           H  
HETATM   33  H   UNL     1       2.736  -1.605   0.570  1.00  0.00           H  
HETATM   34  H   UNL     1       2.632   1.169   1.456  1.00  0.00           H  
HETATM   35  H   UNL     1       3.000  -0.285   2.434  1.00  0.00           H  
HETATM   36  H   UNL     1       4.872   1.689   1.888  1.00  0.00           H  
HETATM   37  H   UNL     1       5.312  -0.021   2.178  1.00  0.00           H  
HETATM   38  H   UNL     1       5.003  -1.580  -0.022  1.00  0.00           H  
HETATM   39  H   UNL     1       4.402  -0.672  -1.444  1.00  0.00           H  
HETATM   40  H   UNL     1       6.998   2.348   0.830  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.765   3.218  -1.770  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.183   4.033   0.516  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.788   2.551   2.443  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.847  -3.148  -0.788  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.282  -3.608  -0.077  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.778  -3.786   0.872  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.447   0.185  -1.551  1.00  0.00           H  
HETATM   48  H   UNL     1       2.446   0.575  -1.362  1.00  0.00           H  
HETATM   49  H   UNL     1      10.272  -0.170  -0.277  1.00  0.00           H  
HETATM   50  H   UNL     1       9.464   1.996   0.629  1.00  0.00           H  
CONECT    1    2   19    6   30                                       
CONECT    2    3    1    5    5                                       
CONECT    3   18   18    2   31                                       
CONECT    4   13   13   27                                            
CONECT    5    2    2   16   32                                       
CONECT    6    1   21   15   15                                       
CONECT    7   24   24   21   22                                       
CONECT    8   23   23   22   25                                       
CONECT    9   12   25   10   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   26   36   37                                       
CONECT   12    9   26   38   39                                       
CONECT   13   14   26    4    4                                       
CONECT   14   29   29   13   40                                       
CONECT   15    6    6                                                 
CONECT   16   17   17    5   41                                       
CONECT   17   18   16   16   42                                       
CONECT   18    3    3   17   43                                       
CONECT   19    1   20                                                 
CONECT   20   19   44   45   46                                       
CONECT   21    7    6   47                                            
CONECT   22    7    8                                                 
CONECT   23   24    8    8                                            
CONECT   24   23    7    7                                            
CONECT   25    8    9   48                                            
CONECT   26   12   11   13                                            
CONECT   27   28   28    4                                            
CONECT   28   29   27   27   49                                       
CONECT   29   14   14   28   50                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
