COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.733   2.316   0.087  1.00  0.00           N  
HETATM    2  C   UNL     1       6.589  -1.922  -0.398  1.00  0.00           C  
HETATM    3  C   UNL     1       6.756  -0.682   0.190  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.555  -2.587  -1.187  1.00  0.00           N  
HETATM    5  C   UNL     1       5.651   0.064   0.555  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.105  -2.007   0.644  1.00  0.00           O  
HETATM    7  C   UNL     1       1.761   3.384   0.572  1.00  0.00           C  
HETATM    8  C   UNL     1       4.212  -1.672  -0.251  1.00  0.00           C  
HETATM    9  C   UNL     1       5.317  -2.416  -0.621  1.00  0.00           C  
HETATM   10  C   UNL     1       4.379  -0.430   0.332  1.00  0.00           C  
HETATM   11  C   UNL     1       3.174   0.384   0.730  1.00  0.00           C  
HETATM   12  C   UNL     1       2.755   1.279  -0.438  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.665  -2.302   1.097  1.00  0.00           O  
HETATM   14  S   UNL     1      -3.739  -1.850   0.285  1.00  0.00           S  
HETATM   15  C   UNL     1      -3.484  -0.123   0.039  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.554   0.695  -0.275  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.359   2.050  -0.468  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.093   2.590  -0.349  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.218   0.412   0.165  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.017   1.771  -0.034  1.00  0.00           C  
HETATM   21  C   UNL     1       0.344   1.588  -0.269  1.00  0.00           C  
HETATM   22  O   UNL     1       0.197   0.498  -0.786  1.00  0.00           O  
HETATM   23  N   UNL     1       1.584   2.070  -0.051  1.00  0.00           N  
HETATM   24  H   UNL     1      -0.619   3.218   0.424  1.00  0.00           H  
HETATM   25  H   UNL     1       7.452  -2.503  -0.687  1.00  0.00           H  
HETATM   26  H   UNL     1       7.749  -0.297   0.364  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.321  -2.703  -1.770  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.681  -2.902  -1.465  1.00  0.00           H  
HETATM   29  H   UNL     1       5.781   1.033   1.014  1.00  0.00           H  
HETATM   30  H   UNL     1       1.796   4.151  -0.202  1.00  0.00           H  
HETATM   31  H   UNL     1       0.925   3.583   1.243  1.00  0.00           H  
HETATM   32  H   UNL     1       2.692   3.395   1.137  1.00  0.00           H  
HETATM   33  H   UNL     1       3.218  -2.058  -0.425  1.00  0.00           H  
HETATM   34  H   UNL     1       5.186  -3.382  -1.085  1.00  0.00           H  
HETATM   35  H   UNL     1       2.353  -0.285   0.989  1.00  0.00           H  
HETATM   36  H   UNL     1       3.423   1.004   1.591  1.00  0.00           H  
HETATM   37  H   UNL     1       3.576   1.947  -0.697  1.00  0.00           H  
HETATM   38  H   UNL     1       2.506   0.659  -1.299  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.545   0.275  -0.368  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.196   2.686  -0.714  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.940   3.648  -0.505  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.383  -0.227   0.415  1.00  0.00           H  
CONECT    1   21   20   24                                            
CONECT    2    3    3    9   25                                       
CONECT    3    5    2    2   26                                       
CONECT    4   14   27   28                                            
CONECT    5   10   10    3   29                                       
CONECT    6   14   14                                                 
CONECT    7   23   30   31   32                                       
CONECT    8   10    9    9   33                                       
CONECT    9    8    8    2   34                                       
CONECT   10   11    5    5    8                                       
CONECT   11   12   10   35   36                                       
CONECT   12   11   23   37   38                                       
CONECT   13   14   14                                                 
CONECT   14   15    4   13   13                                       
CONECT   14    6    6                                                 
CONECT   15   19   19   16   14                                       
CONECT   16   17   17   15   39                                       
CONECT   17   18   16   16   40                                       
CONECT   18   20   20   17   41                                       
CONECT   19   20   15   15   42                                       
CONECT   20    1   18   18   19                                       
CONECT   21   22   22   23    1                                       
CONECT   22   21   21                                                 
CONECT   23   12    7   21                                            
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
