COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.802  -0.479   0.889  1.00  0.00           C  
HETATM    2  N   UNL     1       5.601   0.058   0.836  1.00  0.00           N  
HETATM    3  C   UNL     1       4.591  -0.595   0.272  1.00  0.00           C  
HETATM    4  C   UNL     1       4.821  -1.872  -0.269  1.00  0.00           C  
HETATM    5  C   UNL     1       6.119  -2.403  -0.188  1.00  0.00           C  
HETATM    6  N   UNL     1       7.066  -1.675   0.395  1.00  0.00           N  
HETATM    7  N   UNL     1       6.405  -3.655  -0.703  1.00  0.00           N  
HETATM    8  N   UNL     1       3.642  -2.309  -0.775  1.00  0.00           N  
HETATM    9  C   UNL     1       2.727  -1.405  -0.583  1.00  0.00           C  
HETATM   10  N   UNL     1       3.262  -0.328   0.059  1.00  0.00           N  
HETATM   11  C   UNL     1       2.550   0.891   0.451  1.00  0.00           C  
HETATM   12  C   UNL     1       2.716   1.991  -0.628  1.00  0.00           C  
HETATM   13  C   UNL     1       1.464   2.870  -0.390  1.00  0.00           C  
HETATM   14  C   UNL     1       0.489   1.943   0.362  1.00  0.00           C  
HETATM   15  O   UNL     1       1.125   0.659   0.480  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.814   1.807  -0.428  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.006   0.836   0.535  1.00  0.00           S  
HETATM   18  C   UNL     1      -3.461   0.786  -0.548  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.576  -0.011   0.132  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.802  -0.054  -0.781  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.855  -0.940  -0.167  1.00  0.00           C  
HETATM   22  N   UNL     1      -8.130  -0.604   0.103  1.00  0.00           N  
HETATM   23  N   UNL     1      -8.695  -1.642   0.620  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.833  -2.596   0.682  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.709  -2.189   0.202  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.339   1.304  -0.944  1.00  0.00           N  
HETATM   27  O   UNL     1       1.795   4.006   0.410  1.00  0.00           O  
HETATM   28  O   UNL     1       3.913   2.740  -0.413  1.00  0.00           O  
HETATM   29  H   UNL     1       7.602   0.081   1.351  1.00  0.00           H  
HETATM   30  H   UNL     1       5.706  -4.177  -1.127  1.00  0.00           H  
HETATM   31  H   UNL     1       7.306  -4.011  -0.641  1.00  0.00           H  
HETATM   32  H   UNL     1       1.694  -1.494  -0.887  1.00  0.00           H  
HETATM   33  H   UNL     1       2.904   1.246   1.419  1.00  0.00           H  
HETATM   34  H   UNL     1       2.704   1.559  -1.629  1.00  0.00           H  
HETATM   35  H   UNL     1       1.033   3.185  -1.340  1.00  0.00           H  
HETATM   36  H   UNL     1       0.284   2.348   1.353  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.225   2.797  -0.623  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.615   1.303  -1.373  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.806   1.802  -0.740  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.195   0.308  -1.491  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.231  -1.027   0.325  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.841   0.467   1.075  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.516  -0.450  -1.755  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.547   0.257  -0.061  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.111   1.313  -1.594  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.611   1.694  -0.054  1.00  0.00           H  
HETATM   47  H   UNL     1       2.450   4.593   0.007  1.00  0.00           H  
HETATM   48  H   UNL     1       4.061   3.440  -1.063  1.00  0.00           H  
CONECT    1    2    6    6   29                                       
CONECT    2    3    3    1                                            
CONECT    3   10    2    2    4                                       
CONECT    4    3    8    5    5                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5                                            
CONECT    7    5   30   31                                            
CONECT    8    9    9    4                                            
CONECT    9   10    8    8   32                                       
CONECT   10   11    9    3                                            
CONECT   11   15   12   10   33                                       
CONECT   12   13   11   28   34                                       
CONECT   13   14   27   12   35                                       
CONECT   14   16   13   15   36                                       
CONECT   15   14   11                                                 
CONECT   16   17   14   37   38                                       
CONECT   17   18   16                                                 
CONECT   18   19   17   39   40                                       
CONECT   19   20   18   41   42                                       
CONECT   20   21   26   19   43                                       
CONECT   21   22   25   25   20                                       
CONECT   22   23   21   44                                            
CONECT   23   24   24   22                                            
CONECT   24   23   23   25                                            
CONECT   25   24   21   21                                            
CONECT   26   20   45   46                                            
CONECT   27   13   47                                                 
CONECT   28   12   48                                                 
CONECT   29    1                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
