COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.158   2.098  -0.140  1.00  0.00           N  
HETATM    2  C   UNL     1       1.893   0.861   0.231  1.00  0.00           C  
HETATM    3  N   UNL     1       2.820  -0.072   0.261  1.00  0.00           N  
HETATM    4  C   UNL     1       4.080   0.205  -0.089  1.00  0.00           C  
HETATM    5  C   UNL     1       4.399   1.505  -0.489  1.00  0.00           C  
HETATM    6  C   UNL     1       3.386   2.456  -0.504  1.00  0.00           C  
HETATM    7  O   UNL     1       3.645   3.731  -0.885  1.00  0.00           O  
HETATM    8  C   UNL     1       0.485   0.505   0.635  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.464   0.764  -0.538  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.839   0.437  -0.139  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.284   1.285   0.975  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.389   1.041   2.193  1.00  0.00           C  
HETATM   13  C   UNL     1       0.062   1.367   1.827  1.00  0.00           C  
HETATM   14  C   UNL     1       5.116  -0.845  -0.054  1.00  0.00           C  
HETATM   15  S   UNL     1       4.830  -2.543   0.307  1.00  0.00           S  
HETATM   16  C   UNL     1       6.540  -2.905   0.109  1.00  0.00           C  
HETATM   17  C   UNL     1       7.205  -1.787  -0.202  1.00  0.00           C  
HETATM   18  C   UNL     1       6.429  -0.653  -0.298  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.757   0.542  -1.280  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.098  -0.031  -0.900  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.376  -1.375  -1.096  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.563  -1.845  -0.751  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.479  -1.050  -0.224  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.247   0.238  -0.023  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.079   0.772  -0.340  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.684  -1.565   0.118  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.639  -0.664   0.683  1.00  0.00           C  
HETATM   28  H   UNL     1       5.407   1.764  -0.779  1.00  0.00           H  
HETATM   29  H   UNL     1       0.441  -0.548   0.912  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.409   1.815  -0.824  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.174   0.142  -1.384  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.220   2.333   0.682  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.316   1.041   1.227  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.710   1.682   3.014  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.463  -0.003   2.495  1.00  0.00           H  
HETATM   36  H   UNL     1       0.708   1.153   2.679  1.00  0.00           H  
HETATM   37  H   UNL     1       0.143   2.421   1.562  1.00  0.00           H  
HETATM   38  H   UNL     1       6.985  -3.882   0.222  1.00  0.00           H  
HETATM   39  H   UNL     1       8.272  -1.775  -0.370  1.00  0.00           H  
HETATM   40  H   UNL     1       6.839   0.315  -0.548  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.875   1.590  -1.556  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.351  -0.013  -2.125  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.632  -2.030  -1.526  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.894   1.822  -0.169  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.852   0.133  -0.030  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.558  -1.204   0.910  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.234  -0.233   1.598  1.00  0.00           H  
HETATM   48  H   UNL     1       3.907   4.313  -0.158  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    8    1    1    3                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   14                                       
CONECT    5    6    6    4   28                                       
CONECT    6    1    7    5    5                                       
CONECT    7    6   48                                                 
CONECT    8   13    9    2   29                                       
CONECT    9   10    8   30   31                                       
CONECT   10   11   19    9                                            
CONECT   11   12   10   32   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13   12    8   36   37                                       
CONECT   14    4   15   18   18                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   38                                       
CONECT   17   18   16   16   39                                       
CONECT   18   14   14   17   40                                       
CONECT   19   10   20   41   42                                       
CONECT   20   19   25   25   21                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   23                                            
CONECT   23   24   24   22   26                                       
CONECT   24   25   23   23                                            
CONECT   25   20   20   24   44                                       
CONECT   26   23   27                                                 
CONECT   27   26   45   46   47                                       
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48    7                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
