COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.478  -0.958   2.554  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.625  -0.688   3.376  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.744  -0.821   4.700  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.618  -0.433   5.311  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.218  -0.369   6.643  1.00  0.00           C  
HETATM    6  C   UNL     1       0.024   0.079   7.012  1.00  0.00           C  
HETATM    7  C   UNL     1       1.007   0.514   6.080  1.00  0.00           C  
HETATM    8  N   UNL     1       2.252   0.971   6.345  1.00  0.00           N  
HETATM    9  C   UNL     1       3.082   1.348   5.412  1.00  0.00           C  
HETATM   10  S   UNL     1       2.125   1.082   3.926  1.00  0.00           S  
HETATM   11  C   UNL     1       0.659   0.472   4.718  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.644   0.005   4.274  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.257  -0.155   3.076  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.679   0.142   1.717  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.660  -1.084   0.915  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.165  -1.057  -0.390  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.146  -2.218  -1.151  1.00  0.00           C  
HETATM   18  C   UNL     1       0.343  -2.188  -2.442  1.00  0.00           C  
HETATM   19  C   UNL     1       0.815  -1.004  -2.976  1.00  0.00           C  
HETATM   20  C   UNL     1       0.798   0.154  -2.221  1.00  0.00           C  
HETATM   21  C   UNL     1       0.304   0.132  -0.932  1.00  0.00           C  
HETATM   22  S   UNL     1       1.440  -0.970  -4.624  1.00  0.00           S  
HETATM   23  O   UNL     1       2.297   0.161  -4.688  1.00  0.00           O  
HETATM   24  O   UNL     1       1.818  -2.307  -4.920  1.00  0.00           O  
HETATM   25  N   UNL     1       0.168  -0.629  -5.629  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.294   2.026  -6.167  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.895   2.896  -5.161  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.827   2.555  -4.356  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.188   1.413  -4.528  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.535   0.559  -5.479  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.602   0.840  -6.327  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.910  -0.682   7.411  1.00  0.00           H  
HETATM   33  H   UNL     1       0.269   0.103   8.064  1.00  0.00           H  
HETATM   34  H   UNL     1       4.089   1.725   5.512  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.292   0.892   1.218  1.00  0.00           H  
HETATM   36  H   UNL     1       0.337   0.518   1.829  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.992  -1.914   1.291  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.514  -3.144  -0.734  1.00  0.00           H  
HETATM   39  H   UNL     1       0.358  -3.091  -3.034  1.00  0.00           H  
HETATM   40  H   UNL     1       1.167   1.078  -2.642  1.00  0.00           H  
HETATM   41  H   UNL     1       0.291   1.037  -0.342  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.084  -1.259  -6.321  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.127   2.271  -6.811  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.414   3.831  -5.011  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.513   3.228  -3.573  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.886   0.140  -7.100  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   12                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8   11   11                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   34                                       
CONECT   10    9   11                                                 
CONECT   11    7    7   10   12                                       
CONECT   12    4   11   13   13                                       
CONECT   13    2   12   12   14                                       
CONECT   14   13   15   35   36                                       
CONECT   15   14   16   37                                            
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   21   40                                       
CONECT   21   16   20   20   41                                       
CONECT   22   19   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   30   42                                            
CONECT   26   27   27   31   43                                       
CONECT   27   26   26   28   44                                       
CONECT   28   27   29   29   45                                       
CONECT   29   28   28   30                                            
CONECT   30   25   29   31   31                                       
CONECT   31   26   30   30   46                                       
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   31                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
