COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.434  -0.729  -1.513  1.00  0.00           C  
HETATM    2  N   UNL     1       5.419   2.109  -0.547  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.279   1.331   1.717  1.00  0.00           O  
HETATM    4  S   UNL     1       2.142  -0.848   0.312  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.016  -0.793   0.677  1.00  0.00           C  
HETATM    6  N   UNL     1       3.792   3.780  -0.623  1.00  0.00           N  
HETATM    7  O   UNL     1       4.582  -2.428   0.275  1.00  0.00           O  
HETATM    8  S   UNL     1      -4.901   0.178   0.978  1.00  0.00           S  
HETATM    9  C   UNL     1      -6.047  -2.026  -0.980  1.00  0.00           C  
HETATM   10  N   UNL     1       6.695  -1.833  -0.068  1.00  0.00           N  
HETATM   11  O   UNL     1      -5.175  -1.147   1.412  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.141  -0.326  -2.809  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.595   0.333  -0.518  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.565   1.501   0.491  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.945  -0.946  -1.791  1.00  0.00           C  
HETATM   16  C   UNL     1       1.713   1.650  -0.036  1.00  0.00           C  
HETATM   17  C   UNL     1       3.146   1.490  -0.180  1.00  0.00           C  
HETATM   18  C   UNL     1       3.543   0.161  -0.014  1.00  0.00           C  
HETATM   19  C   UNL     1       4.149   2.456  -0.453  1.00  0.00           C  
HETATM   20  C   UNL     1       4.920  -0.156  -0.126  1.00  0.00           C  
HETATM   21  C   UNL     1       5.383  -1.543   0.040  1.00  0.00           C  
HETATM   22  C   UNL     1       5.827   0.863  -0.396  1.00  0.00           C  
HETATM   23  C   UNL     1       1.051   0.522   0.222  1.00  0.00           C  
HETATM   24  C   UNL     1       7.156  -3.214   0.097  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.414   0.438   0.408  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.383  -0.865   0.849  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.156   0.279   0.757  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.199   1.587   0.317  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.414  -1.687   0.744  1.00  0.00           H  
HETATM   30  H   UNL     1       4.471   4.446  -0.810  1.00  0.00           H  
HETATM   31  H   UNL     1       2.860   4.043  -0.555  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.065  -2.773  -1.774  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.449  -2.395  -0.147  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.065  -1.833  -0.640  1.00  0.00           H  
HETATM   35  H   UNL     1       7.334  -1.128  -0.255  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.202  -0.171  -2.611  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.704   0.598  -3.189  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.021  -1.116  -3.550  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.108   1.127  -0.734  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.174   2.390   0.420  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.826  -1.497  -2.725  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.446   0.019  -1.873  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.502  -1.516  -0.975  1.00  0.00           H  
HETATM   44  H   UNL     1       1.221   2.606  -0.131  1.00  0.00           H  
HETATM   45  H   UNL     1       6.878   0.632  -0.483  1.00  0.00           H  
HETATM   46  H   UNL     1       8.239  -3.253  -0.024  1.00  0.00           H  
HETATM   47  H   UNL     1       6.889  -3.570   1.092  1.00  0.00           H  
HETATM   48  H   UNL     1       6.684  -3.847  -0.654  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.850  -1.816   1.056  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.739   2.542   0.110  1.00  0.00           H  
CONECT    1    9   12   13   15                                       
CONECT    2   19   19   22                                            
CONECT    3    8    8                                                 
CONECT    4   18   23                                                 
CONECT    5   25   25   26   29                                       
CONECT    6   19   30   31                                            
CONECT    7   21   21                                                 
CONECT    8    3    3   11   11                                       
CONECT    8   13   27                                                 
CONECT    9    1   32   33   34                                       
CONECT   10   21   24   35                                            
CONECT   11    8    8                                                 
CONECT   12    1   36   37   38                                       
CONECT   13    1    8   39                                            
CONECT   14   27   28   28   40                                       
CONECT   15    1   41   42   43                                       
CONECT   16   17   23   23   44                                       
CONECT   17   16   18   18   19                                       
CONECT   18    4   17   17   20                                       
CONECT   19    2    2    6   17                                       
CONECT   20   18   21   22   22                                       
CONECT   21    7    7   10   20                                       
CONECT   22    2   20   20   45                                       
CONECT   23    4   16   16   25                                       
CONECT   24   10   46   47   48                                       
CONECT   25    5    5   23   28                                       
CONECT   26    5   27   27   49                                       
CONECT   27    8   14   26   26                                       
CONECT   28   14   14   25   50                                       
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
