COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.697   3.837   0.300  1.00  0.00           O  
HETATM    2  S   UNL     1       3.554   2.479  -0.093  1.00  0.00           S  
HETATM    3  O   UNL     1       3.960   1.991  -1.363  1.00  0.00           O  
HETATM    4  N   UNL     1       4.364   1.578   1.036  1.00  0.00           N  
HETATM    5  C   UNL     1       1.842   2.094   0.065  1.00  0.00           C  
HETATM    6  C   UNL     1       1.341   0.917  -0.470  1.00  0.00           C  
HETATM    7  N   UNL     1       2.169   0.024  -1.134  1.00  0.00           N  
HETATM    8  C   UNL     1       2.793  -1.008  -0.428  1.00  0.00           C  
HETATM    9  C   UNL     1       4.171  -1.155  -0.488  1.00  0.00           C  
HETATM   10  C   UNL     1       2.034  -1.883   0.340  1.00  0.00           C  
HETATM   11  C   UNL     1       2.647  -2.902   1.045  1.00  0.00           C  
HETATM   12  C   UNL     1       4.017  -3.057   0.992  1.00  0.00           C  
HETATM   13  C   UNL     1       4.789  -2.187   0.219  1.00  0.00           C  
HETATM   14  C   UNL     1       6.256  -2.351   0.160  1.00  0.00           C  
HETATM   15  O   UNL     1       6.851  -3.341   0.852  1.00  0.00           O  
HETATM   16  O   UNL     1       6.925  -1.592  -0.513  1.00  0.00           O  
HETATM   17  C   UNL     1       0.989   2.965   0.729  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.291   2.711   0.866  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.844   1.597   0.371  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.041   0.654  -0.316  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.215   1.343   0.527  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.758   0.181   0.009  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.950  -0.744  -0.670  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.620  -0.513  -0.836  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.205  -0.093   0.178  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.002  -0.464  -0.918  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.462  -0.579  -2.155  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.341  -0.960  -3.214  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.292  -0.700  -0.722  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.825  -0.589   0.484  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.148  -0.832   0.643  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.680  -0.694   1.962  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.106  -0.242   1.539  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.810   0.005   1.430  1.00  0.00           C  
HETATM   35  H   UNL     1       4.873   2.019   1.734  1.00  0.00           H  
HETATM   36  H   UNL     1       4.330   0.609   0.999  1.00  0.00           H  
HETATM   37  H   UNL     1       2.315   0.116  -2.089  1.00  0.00           H  
HETATM   38  H   UNL     1       4.763  -0.474  -1.081  1.00  0.00           H  
HETATM   39  H   UNL     1       0.961  -1.767   0.386  1.00  0.00           H  
HETATM   40  H   UNL     1       2.052  -3.576   1.643  1.00  0.00           H  
HETATM   41  H   UNL     1       4.492  -3.854   1.544  1.00  0.00           H  
HETATM   42  H   UNL     1       7.813  -3.408   0.783  1.00  0.00           H  
HETATM   43  H   UNL     1       1.391   3.878   1.145  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.843   2.051   1.049  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.389  -1.646  -1.068  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.008  -1.232  -1.360  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.782  -1.016  -4.148  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.776  -1.935  -2.993  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.136  -0.221  -3.310  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.526   0.327   2.311  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.747  -0.917   1.949  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.172  -1.387   2.633  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.232   0.287   2.298  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    4    1    1                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    2   35   36                                            
CONECT    5    6    6   17    2                                       
CONECT    6   20    7    5    5                                       
CONECT    7    8    6   37                                            
CONECT    8   10   10    9    7                                       
CONECT    9   13   13    8   38                                       
CONECT   10   11    8    8   39                                       
CONECT   11   12   12   10   40                                       
CONECT   12   11   11   13   41                                       
CONECT   13   12   14    9    9                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   42                                                 
CONECT   16   14   14                                                 
CONECT   17   18   18    5   43                                       
CONECT   18   19   17   17                                            
CONECT   19   21   21   20   18                                       
CONECT   20   24   24   19    6                                       
CONECT   21   22   19   19   44                                       
CONECT   22   25   23   23   21                                       
CONECT   23   22   22   24   45                                       
CONECT   24   23   20   20   46                                       
CONECT   25   34   34   26   22                                       
CONECT   26   29   29   25   27                                       
CONECT   27   28   26                                                 
CONECT   28   27   47   48   49                                       
CONECT   29   30   26   26                                            
CONECT   30   31   33   33   29                                       
CONECT   31   32   30                                                 
CONECT   32   31   50   51   52                                       
CONECT   33   30   30   34                                            
CONECT   34   33   25   25   53                                       
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
CONECT   53   34                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
