COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -5.032  -0.004   0.220  1.00  0.00           S  
HETATM    2  O   UNL     1      -5.326   1.250   0.822  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.326  -1.275   0.782  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.780   0.020  -1.257  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.249  -1.191  -0.433  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.249   1.203  -0.391  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.612   1.200  -0.164  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.612  -1.194  -0.202  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.567   0.008  -0.522  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.294   0.001  -0.070  1.00  0.00           C  
HETATM   11  C   UNL     1       0.920   0.012  -0.769  1.00  0.00           C  
HETATM   12  C   UNL     1       1.660  -0.009   0.570  1.00  0.00           C  
HETATM   13  N   UNL     1       3.105  -0.005   0.330  1.00  0.00           N1+
HETATM   14  C   UNL     1       5.098   1.191   0.001  1.00  0.00           C  
HETATM   15  C   UNL     1       5.105  -1.191   0.003  1.00  0.00           C  
HETATM   16  C   UNL     1       3.742  -1.155   0.228  1.00  0.00           C  
HETATM   17  C   UNL     1       3.735   1.149   0.221  1.00  0.00           C  
HETATM   18  C   UNL     1       5.801   0.002  -0.117  1.00  0.00           C  
HETATM   19  C   UNL     1       7.288   0.006  -0.362  1.00  0.00           C  
HETATM   20  C   UNL     1       2.960   2.435   0.346  1.00  0.00           C  
HETATM   21  C   UNL     1       2.974  -2.445   0.360  1.00  0.00           C  
HETATM   22  H   UNL     1      -6.649  -0.398  -1.367  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.351   0.452  -2.011  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.717  -2.125  -0.536  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.716   2.140  -0.465  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.145   2.133  -0.061  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.145  -2.131  -0.127  1.00  0.00           H  
HETATM   28  H   UNL     1       1.194   0.910  -1.322  1.00  0.00           H  
HETATM   29  H   UNL     1       1.194  -0.870  -1.349  1.00  0.00           H  
HETATM   30  H   UNL     1       1.385  -0.907   1.123  1.00  0.00           H  
HETATM   31  H   UNL     1       1.385   0.873   1.150  1.00  0.00           H  
HETATM   32  H   UNL     1       5.609   2.139  -0.087  1.00  0.00           H  
HETATM   33  H   UNL     1       5.621  -2.136  -0.079  1.00  0.00           H  
HETATM   34  H   UNL     1       7.479   0.003  -1.435  1.00  0.00           H  
HETATM   35  H   UNL     1       7.728   0.899   0.082  1.00  0.00           H  
HETATM   36  H   UNL     1       7.733  -0.881   0.089  1.00  0.00           H  
HETATM   37  H   UNL     1       2.857   2.697   1.399  1.00  0.00           H  
HETATM   38  H   UNL     1       3.491   3.231  -0.176  1.00  0.00           H  
HETATM   39  H   UNL     1       1.971   2.308  -0.095  1.00  0.00           H  
HETATM   40  H   UNL     1       2.870  -2.700   1.415  1.00  0.00           H  
HETATM   41  H   UNL     1       1.986  -2.328  -0.084  1.00  0.00           H  
HETATM   42  H   UNL     1       3.512  -3.242  -0.155  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4   10                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   22   23                                            
CONECT    5    8    8    9   24                                       
CONECT    6    7    9    9   25                                       
CONECT    7    6   10   10   26                                       
CONECT    8    5    5   10   27                                       
CONECT    9    5    6    6   11                                       
CONECT   10    1    7    7    8                                       
CONECT   11    9   12   28   29                                       
CONECT   12   11   13   30   31                                       
CONECT   13   12   16   16   17                                       
CONECT   14   17   17   18   32                                       
CONECT   15   16   18   18   33                                       
CONECT   16   13   13   15   21                                       
CONECT   17   13   14   14   20                                       
CONECT   18   14   15   15   19                                       
CONECT   19   18   34   35   36                                       
CONECT   20   17   37   38   39                                       
CONECT   21   16   40   41   42                                       
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
