COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.680   0.766   0.050  1.00  0.00           N  
HETATM    2  N   UNL     1      -6.115  -0.881  -1.339  1.00  0.00           N  
HETATM    3  C   UNL     1       2.318   1.235  -0.343  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.047   1.209  -0.135  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.288   0.592  -0.217  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.418   1.336   0.117  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.832  -0.630  -0.367  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.570  -1.709   0.050  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.948   4.586   1.004  1.00  0.00           C  
HETATM   10  C   UNL     1       6.599  -0.890  -1.141  1.00  0.00           C  
HETATM   11  C   UNL     1       7.899  -1.889   0.588  1.00  0.00           C  
HETATM   12  C   UNL     1       8.959  -2.853   1.054  1.00  0.00           C  
HETATM   13  C   UNL     1       7.214  -1.108   1.500  1.00  0.00           C  
HETATM   14  C   UNL     1       7.586  -1.786  -0.759  1.00  0.00           C  
HETATM   15  C   UNL     1       5.964  -0.135  -0.174  1.00  0.00           C  
HETATM   16  N   UNL     1       6.285  -0.262   1.099  1.00  0.00           N  
HETATM   17  C   UNL     1       4.895   0.846  -0.578  1.00  0.00           C  
HETATM   18  C   UNL     1       4.290   0.697  -1.975  1.00  0.00           C  
HETATM   19  C   UNL     1       3.471   0.311  -0.742  1.00  0.00           C  
HETATM   20  O   UNL     1       1.081   0.529  -0.454  1.00  0.00           O  
HETATM   21  N   UNL     1       0.020   2.479   0.257  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.072   3.150   0.565  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.268   2.602   0.500  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.292  -1.004  -0.349  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.306  -1.250  -1.131  1.00  0.00           N  
HETATM   26  S   UNL     1      -6.138  -1.660   0.987  1.00  0.00           S  
HETATM   27  C   UNL     1      -8.913  -2.203   0.521  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.462   1.290   0.284  1.00  0.00           H  
HETATM   29  H   UNL     1       2.457   1.565   0.687  1.00  0.00           H  
HETATM   30  H   UNL     1       2.302   2.102  -1.003  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.376  -0.437  -0.532  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.439  -0.752  -1.377  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.283  -1.276   0.317  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.005   5.239   0.133  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.758   4.827   1.692  1.00  0.00           H  
HETATM   36  H   UNL     1       0.009   4.732   1.505  1.00  0.00           H  
HETATM   37  H   UNL     1       6.333  -0.781  -2.182  1.00  0.00           H  
HETATM   38  H   UNL     1       8.503  -3.821   1.262  1.00  0.00           H  
HETATM   39  H   UNL     1       9.714  -2.967   0.275  1.00  0.00           H  
HETATM   40  H   UNL     1       9.427  -2.469   1.960  1.00  0.00           H  
HETATM   41  H   UNL     1       7.442  -1.191   2.552  1.00  0.00           H  
HETATM   42  H   UNL     1       8.098  -2.391  -1.493  1.00  0.00           H  
HETATM   43  H   UNL     1       5.010   1.857  -0.185  1.00  0.00           H  
HETATM   44  H   UNL     1       4.009   1.608  -2.502  1.00  0.00           H  
HETATM   45  H   UNL     1       4.667  -0.112  -2.602  1.00  0.00           H  
HETATM   46  H   UNL     1       3.308  -0.751  -0.558  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.476  -1.373   0.950  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.465  -2.617  -0.323  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.771  -2.975   1.277  1.00  0.00           H  
CONECT    1    7    6   28                                            
CONECT    2   25   24   24                                            
CONECT    3   19   20   29   30                                       
CONECT    4   20    5    5   21                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    1   23   23                                       
CONECT    7   24    1   32   33                                       
CONECT    8   25   25   27   26                                       
CONECT    9   22   34   35   36                                       
CONECT   10   14   15   15   37                                       
CONECT   11   12   14   14   13                                       
CONECT   12   11   38   39   40                                       
CONECT   13   11   16   16   41                                       
CONECT   14   11   11   10   42                                       
CONECT   15   10   10   16   17                                       
CONECT   16   13   13   15                                            
CONECT   17   15   18   19   43                                       
CONECT   18   17   19   44   45                                       
CONECT   19   18   17    3   46                                       
CONECT   20    3    4                                                 
CONECT   21    4   22   22                                            
CONECT   22   21   21   23    9                                       
CONECT   23    6    6   22                                            
CONECT   24    2    2    7   26                                       
CONECT   25    2    8    8                                            
CONECT   26    8   24                                                 
CONECT   27    8   47   48   49                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
