COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.062  -1.451   0.258  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.543  -0.657  -0.683  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.522  -1.467  -0.006  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.169  -0.830  -0.195  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.077   0.242  -0.755  1.00  0.00           O  
HETATM    6  C   UNL     1       1.253  -0.832   0.073  1.00  0.00           C  
HETATM    7  C   UNL     1       2.331  -1.737   0.674  1.00  0.00           C  
HETATM    8  C   UNL     1       3.683  -1.100   0.484  1.00  0.00           C  
HETATM    9  C   UNL     1       4.417  -1.363  -0.657  1.00  0.00           C  
HETATM   10  C   UNL     1       5.658  -0.779  -0.831  1.00  0.00           C  
HETATM   11  C   UNL     1       6.165   0.069   0.136  1.00  0.00           C  
HETATM   12  S   UNL     1       7.746   0.813  -0.085  1.00  0.00           S  
HETATM   13  N   UNL     1       7.506   2.252  -0.869  1.00  0.00           N  
HETATM   14  O   UNL     1       8.222   1.139   1.214  1.00  0.00           O  
HETATM   15  O   UNL     1       8.460  -0.021  -0.987  1.00  0.00           O  
HETATM   16  C   UNL     1       5.430   0.333   1.277  1.00  0.00           C  
HETATM   17  C   UNL     1       4.188  -0.248   1.449  1.00  0.00           C  
HETATM   18  H   UNL     1      -0.137  -2.307   0.709  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.750  -1.524   1.059  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.513  -2.471  -0.430  1.00  0.00           H  
HETATM   21  H   UNL     1       1.444  -0.696  -0.991  1.00  0.00           H  
HETATM   22  H   UNL     1       1.271   0.136   0.573  1.00  0.00           H  
HETATM   23  H   UNL     1       2.139  -1.873   1.738  1.00  0.00           H  
HETATM   24  H   UNL     1       2.312  -2.705   0.174  1.00  0.00           H  
HETATM   25  H   UNL     1       4.022  -2.025  -1.413  1.00  0.00           H  
HETATM   26  H   UNL     1       6.232  -0.985  -1.722  1.00  0.00           H  
HETATM   27  H   UNL     1       8.112   2.994  -0.718  1.00  0.00           H  
HETATM   28  H   UNL     1       6.759   2.352  -1.480  1.00  0.00           H  
HETATM   29  H   UNL     1       5.825   0.996   2.033  1.00  0.00           H  
HETATM   30  H   UNL     1       3.612  -0.039   2.339  1.00  0.00           H  
HETATM   31  N   UNL     1      -3.675   0.656  -0.051  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.081   1.047  -0.090  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.824  -0.056  -0.745  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.890  -1.277  -0.550  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.168  -0.288  -0.052  1.00  0.00           C  
HETATM   36  O   UNL     1      -8.023   0.867  -0.256  1.00  0.00           O  
HETATM   37  H   UNL     1      -3.332   0.638   0.897  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.435   1.219   0.839  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.967   0.153  -1.805  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.054  -2.022  -1.329  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.645  -1.173  -0.472  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.005  -0.436   1.016  1.00  0.00           H  
HETATM   43  C   UNL     1      -9.250   0.823   0.294  1.00  0.00           C  
HETATM   44  O   UNL     1      -9.597  -0.154   0.927  1.00  0.00           O  
HETATM   45  O   UNL     1     -10.093   1.860   0.143  1.00  0.00           O  
HETATM   46  H   UNL     1     -10.964   1.783   0.556  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.021  -1.715   0.440  1.00  0.00           H  
CONECT    1    4    6   18                                            
CONECT    2    3   31   34                                            
CONECT    3    2    4   19   20                                       
CONECT    4    3    1    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    1    7   21   22                                       
CONECT    7    6    8   23   24                                       
CONECT    8    7   17   17    9                                       
CONECT    9    8   10   10   25                                       
CONECT   10    9    9   11   26                                       
CONECT   11   16   16   10   12                                       
CONECT   12   11   13   15   15                                       
CONECT   12   14   14                                                 
CONECT   13   12   27   28                                            
CONECT   14   12   12                                                 
CONECT   15   12   12                                                 
CONECT   16   17   11   11   29                                       
CONECT   17    8    8   16   30                                       
CONECT   18    1                                                      
CONECT   19    3                                                      
CONECT   20    3                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31    2   32   37                                            
CONECT   32   31   33   38                                            
CONECT   33   32   34   39   35                                       
CONECT   34   33    2   40   47                                       
CONECT   35   36   41   42   33                                       
CONECT   36   35   43                                                 
CONECT   37   31                                                      
CONECT   38   32                                                      
CONECT   39   33                                                      
CONECT   40   34                                                      
CONECT   41   35                                                      
CONECT   42   35                                                      
CONECT   43   36   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46                                                 
CONECT   46   45                                                      
CONECT   47   34                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
