COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.745   0.694  -0.679  1.00  0.00           C  
HETATM    2  C   UNL     1       3.247   0.371   0.731  1.00  0.00           C  
HETATM    3  C   UNL     1       4.080  -0.771   1.318  1.00  0.00           C  
HETATM    4  C   UNL     1       0.850   0.746   1.406  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.162  -0.762  -0.284  1.00  0.00           C  
HETATM    6  C   UNL     1       1.499  -1.113  -0.065  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.302   0.327  -0.992  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.387   1.126  -0.678  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.487   1.664   0.592  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.521   0.662   1.256  1.00  0.00           C  
HETATM   11  C   UNL     1       3.348   3.142  -0.373  1.00  0.00           C  
HETATM   12  C   UNL     1       2.997   1.915  -1.217  1.00  0.00           C  
HETATM   13  C   UNL     1       3.405   2.163  -2.671  1.00  0.00           C  
HETATM   14  N   UNL     1       3.526  -1.161   2.621  1.00  0.00           N  
HETATM   15  N   UNL     1       1.839  -0.032   0.671  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.433   0.965   0.607  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.871  -0.362   0.010  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.265  -1.993  -0.851  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.726  -2.707  -1.034  1.00  0.00           S  
HETATM   20  C   UNL     1       0.064  -1.324  -0.312  1.00  0.00           C  
HETATM   21  O   UNL     1       2.339  -1.876  -0.503  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.345   0.089  -0.001  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.565   1.426   1.505  1.00  0.00           N  
HETATM   24  H   UNL     1       4.814   0.908  -0.646  1.00  0.00           H  
HETATM   25  H   UNL     1       3.566  -0.160  -1.332  1.00  0.00           H  
HETATM   26  H   UNL     1       3.345   1.254   1.363  1.00  0.00           H  
HETATM   27  H   UNL     1       4.053  -1.625   0.641  1.00  0.00           H  
HETATM   28  H   UNL     1       5.110  -0.440   1.446  1.00  0.00           H  
HETATM   29  H   UNL     1       0.604   0.221   2.330  1.00  0.00           H  
HETATM   30  H   UNL     1       1.280   1.715   1.656  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.199  -0.106  -1.976  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.148   1.328  -1.417  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.332   2.288   0.841  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.789   0.487   2.031  1.00  0.00           H  
HETATM   35  H   UNL     1       2.815   4.012  -0.756  1.00  0.00           H  
HETATM   36  H   UNL     1       3.058   2.965   0.663  1.00  0.00           H  
HETATM   37  H   UNL     1       4.422   3.322  -0.423  1.00  0.00           H  
HETATM   38  H   UNL     1       1.923   1.735  -1.167  1.00  0.00           H  
HETATM   39  H   UNL     1       4.479   2.343  -2.721  1.00  0.00           H  
HETATM   40  H   UNL     1       3.155   1.289  -3.272  1.00  0.00           H  
HETATM   41  H   UNL     1       2.872   3.033  -3.054  1.00  0.00           H  
HETATM   42  H   UNL     1       4.059  -1.914   3.030  1.00  0.00           H  
HETATM   43  H   UNL     1       3.480  -0.370   3.246  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.214   1.344   1.265  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.248   1.683  -0.192  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.195  -2.457  -1.145  1.00  0.00           H  
CONECT    1   12    2   24   25                                       
CONECT    2    1   15    3   26                                       
CONECT    3    2   14   27   28                                       
CONECT    4   15   16   29   30                                       
CONECT    5   18   18   17   22                                       
CONECT    6   21   21   20   15                                       
CONECT    7   22    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9   23   23    8   33                                       
CONECT   10   22   22   23   34                                       
CONECT   11   12   35   36   37                                       
CONECT   12   13   11    1   38                                       
CONECT   13   12   39   40   41                                       
CONECT   14    3   42   43                                            
CONECT   15    6    2    4                                            
CONECT   16    4   17   44   45                                       
CONECT   17   20   20    5   16                                       
CONECT   18   19    5    5   46                                       
CONECT   19   20   18                                                 
CONECT   20   19    6   17   17                                       
CONECT   21    6    6                                                 
CONECT   22    5   10   10    7                                       
CONECT   23   10    9    9                                            
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
