COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.016   2.782   0.398  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.768   1.629   0.899  1.00  0.00           N  
HETATM    3  S   UNL     1      -5.805   0.222   0.027  1.00  0.00           S  
HETATM    4  O   UNL     1      -6.576  -0.700   0.784  1.00  0.00           O  
HETATM    5  O   UNL     1      -6.120   0.586  -1.310  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.162  -0.414  -0.006  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.737  -1.280   0.985  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.450  -1.780   0.963  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.301  -0.051  -1.026  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.013  -0.548  -1.055  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.582  -1.413  -0.058  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.279  -1.917  -0.083  1.00  0.00           N  
HETATM   13  C   UNL     1       0.462  -1.402  -1.242  1.00  0.00           C  
HETATM   14  C   UNL     1       1.816  -2.113  -1.336  1.00  0.00           C  
HETATM   15  C   UNL     1       0.677   0.046  -1.084  1.00  0.00           C  
HETATM   16  C   UNL     1       0.850   1.200  -0.957  1.00  0.00           C  
HETATM   17  C   UNL     1       1.065   2.648  -0.798  1.00  0.00           C  
HETATM   18  C   UNL     1       0.424  -1.623   1.172  1.00  0.00           C  
HETATM   19  C   UNL     1       1.776  -2.344   1.177  1.00  0.00           C  
HETATM   20  N   UNL     1       2.506  -1.975  -0.045  1.00  0.00           N  
HETATM   21  S   UNL     1       4.065  -1.420   0.030  1.00  0.00           S  
HETATM   22  O   UNL     1       4.607  -1.910   1.249  1.00  0.00           O  
HETATM   23  O   UNL     1       4.646  -1.682  -1.240  1.00  0.00           O  
HETATM   24  C   UNL     1       3.987   0.333   0.190  1.00  0.00           C  
HETATM   25  C   UNL     1       3.937   0.921   1.446  1.00  0.00           C  
HETATM   26  C   UNL     1       3.876   2.301   1.528  1.00  0.00           C  
HETATM   27  C   UNL     1       3.867   3.048   0.354  1.00  0.00           C  
HETATM   28  N   UNL     1       3.807   4.435   0.422  1.00  0.00           N  
HETATM   29  N   UNL     1       3.915   2.449  -0.826  1.00  0.00           N  
HETATM   30  C   UNL     1       3.980   1.136  -0.933  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.965   2.511   0.292  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.414   3.083  -0.571  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.246   1.690   1.741  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.412  -1.564   1.779  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.119  -2.456   1.738  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.638   0.622  -1.801  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.342  -0.264  -1.852  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.111  -1.587  -2.151  1.00  0.00           H  
HETATM   39  H   UNL     1       1.660  -3.169  -1.557  1.00  0.00           H  
HETATM   40  H   UNL     1       2.415  -1.656  -2.123  1.00  0.00           H  
HETATM   41  H   UNL     1       1.615   3.029  -1.658  1.00  0.00           H  
HETATM   42  H   UNL     1       0.102   3.153  -0.729  1.00  0.00           H  
HETATM   43  H   UNL     1       1.638   2.832   0.111  1.00  0.00           H  
HETATM   44  H   UNL     1       0.584  -0.548   1.256  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.176  -1.969   2.015  1.00  0.00           H  
HETATM   46  H   UNL     1       2.350  -2.039   2.052  1.00  0.00           H  
HETATM   47  H   UNL     1       1.617  -3.422   1.198  1.00  0.00           H  
HETATM   48  H   UNL     1       3.945   0.315   2.340  1.00  0.00           H  
HETATM   49  H   UNL     1       3.836   2.791   2.489  1.00  0.00           H  
HETATM   50  H   UNL     1       3.771   4.878   1.284  1.00  0.00           H  
HETATM   51  H   UNL     1       3.800   4.960  -0.394  1.00  0.00           H  
HETATM   52  H   UNL     1       4.023   0.683  -1.913  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.108   3.609   1.102  1.00  0.00           H  
CONECT    1    2   31   32   53                                       
CONECT    2    1    3   33                                            
CONECT    3    2    4    4    5                                       
CONECT    3    5    6                                                 
CONECT    4    3    3                                                 
CONECT    5    3    3                                                 
CONECT    6    3    7    7    9                                       
CONECT    7    6    6    8   34                                       
CONECT    8    7   11   11   35                                       
CONECT    9    6   10   10   36                                       
CONECT   10    9    9   11   37                                       
CONECT   11    8    8   10   12                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14   15   38                                       
CONECT   14   13   20   39   40                                       
CONECT   15   13   16   16   16                                       
CONECT   16   15   15   15   17                                       
CONECT   17   16   41   42   43                                       
CONECT   18   12   19   44   45                                       
CONECT   19   18   20   46   47                                       
CONECT   20   14   19   21                                            
CONECT   21   20   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   25   30                                       
CONECT   25   24   24   26   48                                       
CONECT   26   25   27   27   49                                       
CONECT   27   26   26   28   29                                       
CONECT   28   27   50   51                                            
CONECT   29   27   30   30                                            
CONECT   30   24   29   29   52                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53    1                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
