COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.758   0.140  -0.275  1.00  0.00           O  
HETATM    2  S   UNL     1       4.482  -0.479  -0.175  1.00  0.00           S  
HETATM    3  O   UNL     1       3.999  -1.420  -1.123  1.00  0.00           O  
HETATM    4  N   UNL     1       4.443  -1.235   1.298  1.00  0.00           N  
HETATM    5  C   UNL     1       3.299   0.826  -0.122  1.00  0.00           C  
HETATM    6  C   UNL     1       3.718   2.140  -0.177  1.00  0.00           C  
HETATM    7  C   UNL     1       2.796   3.172  -0.136  1.00  0.00           C  
HETATM    8  C   UNL     1       1.446   2.899  -0.040  1.00  0.00           C  
HETATM    9  C   UNL     1       1.940   0.532  -0.031  1.00  0.00           C  
HETATM   10  C   UNL     1       1.486  -0.873   0.028  1.00  0.00           C  
HETATM   11  N   UNL     1       2.267  -1.967   0.213  1.00  0.00           N  
HETATM   12  N   UNL     1       1.383  -3.059   0.194  1.00  0.00           N  
HETATM   13  N   UNL     1       0.200  -2.581   0.010  1.00  0.00           N  
HETATM   14  N   UNL     1       0.245  -1.301  -0.083  1.00  0.00           N  
HETATM   15  C   UNL     1       1.005   1.580   0.016  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.444   1.282   0.113  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.225   1.911   1.081  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.573   1.630   1.167  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.150   0.725   0.294  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.381   0.097  -0.669  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.032   0.375  -0.768  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.623   0.421   0.393  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.310   0.782  -0.927  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.793   0.415  -0.842  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.928  -1.023  -0.576  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.318  -1.385   0.709  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.820  -1.071   0.672  1.00  0.00           C  
HETATM   28  H   UNL     1       3.835  -0.924   1.987  1.00  0.00           H  
HETATM   29  H   UNL     1       5.028  -1.989   1.471  1.00  0.00           H  
HETATM   30  H   UNL     1       4.772   2.365  -0.252  1.00  0.00           H  
HETATM   31  H   UNL     1       3.134   4.196  -0.178  1.00  0.00           H  
HETATM   32  H   UNL     1       0.732   3.709  -0.007  1.00  0.00           H  
HETATM   33  H   UNL     1       3.230  -1.990   0.332  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.775   2.618   1.764  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.179   2.117   1.916  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.836  -0.609  -1.347  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.433  -0.116  -1.520  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.061   1.004   1.203  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.209   1.852  -1.109  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.844   0.229  -1.743  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.261   0.979  -0.035  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.282   0.658  -1.785  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.896  -1.307  -0.610  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.788  -0.812   1.509  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.461  -2.450   0.892  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.346  -1.653  -0.119  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.371  -1.326   1.632  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3    5    4                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   28   29                                            
CONECT    5    9    6    6    2                                       
CONECT    6    5    5    7   30                                       
CONECT    7    8    8    6   31                                       
CONECT    8   15    7    7   32                                       
CONECT    9   10   15   15    5                                       
CONECT   10   14   14   11    9                                       
CONECT   11   12   10   33                                            
CONECT   12   13   13   11                                            
CONECT   13   14   12   12                                            
CONECT   14   13   10   10                                            
CONECT   15   16    9    9    8                                       
CONECT   16   17   17   21   15                                       
CONECT   17   18   16   16   34                                       
CONECT   18   19   19   17   35                                       
CONECT   19   22   18   18   20                                       
CONECT   20   19   21   21   36                                       
CONECT   21   20   20   16   37                                       
CONECT   22   23   27   19   38                                       
CONECT   23   24   22   39   40                                       
CONECT   24   25   23   41   42                                       
CONECT   25   24   26   43                                            
CONECT   26   25   27   44   45                                       
CONECT   27   26   22   46   47                                       
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
