COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.041   2.741  -0.367  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.935  -1.112   1.449  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.456  -1.078   1.632  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.940   0.373   1.577  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.081   0.961   0.008  1.00  0.00           C  
HETATM    6  C   UNL     1       1.954   0.387  -0.085  1.00  0.00           C  
HETATM    7  C   UNL     1       2.734  -0.701   0.295  1.00  0.00           C  
HETATM    8  N   UNL     1       3.992  -0.205   0.611  1.00  0.00           N  
HETATM    9  C   UNL     1       4.023   1.144   0.443  1.00  0.00           C  
HETATM   10  C   UNL     1       0.614   0.320  -0.469  1.00  0.00           C  
HETATM   11  C   UNL     1       0.018  -0.952  -0.485  1.00  0.00           C  
HETATM   12  C   UNL     1       0.777  -2.034  -0.127  1.00  0.00           C  
HETATM   13  C   UNL     1       2.110  -1.935   0.268  1.00  0.00           C  
HETATM   14  C   UNL     1       2.697   1.575  -0.015  1.00  0.00           C  
HETATM   15  C   UNL     1       0.704   2.690  -0.759  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.015   1.527  -0.818  1.00  0.00           C  
HETATM   17  O   UNL     1       4.982   1.867   0.639  1.00  0.00           O  
HETATM   18  C   UNL     1       5.123  -1.019   1.062  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.669  -1.151  -0.954  1.00  0.00           S  
HETATM   20  O   UNL     1      -1.844  -0.399  -2.147  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.950  -2.540  -0.863  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.591  -0.410   0.205  1.00  0.00           N  
HETATM   23  C   UNL     1       5.933  -1.483  -0.150  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.605   0.973   0.210  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.085   2.318   0.149  1.00  0.00           O  
HETATM   26  H   UNL     1       2.561   3.687  -0.334  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.455  -0.617   2.293  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.597  -2.146   1.390  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.931  -1.650   0.836  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.716  -1.512   2.597  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.019   0.402   1.732  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.446   0.951   2.359  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.612   1.625   0.735  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.838   1.295  -1.001  1.00  0.00           H  
HETATM   35  H   UNL     1       0.316  -3.010  -0.140  1.00  0.00           H  
HETATM   36  H   UNL     1       2.657  -2.822   0.550  1.00  0.00           H  
HETATM   37  H   UNL     1       0.212   3.613  -1.029  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.050   1.536  -1.128  1.00  0.00           H  
HETATM   39  H   UNL     1       5.760  -0.425   1.718  1.00  0.00           H  
HETATM   40  H   UNL     1       4.752  -1.888   1.605  1.00  0.00           H  
HETATM   41  H   UNL     1       5.297  -2.077  -0.806  1.00  0.00           H  
HETATM   42  H   UNL     1       6.304  -0.614  -0.694  1.00  0.00           H  
HETATM   43  H   UNL     1       6.775  -2.089   0.185  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.079   0.382  -0.573  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.041   2.400   0.270  1.00  0.00           H  
CONECT    1   15   14   14   26                                       
CONECT    2    3   22   27   28                                       
CONECT    3    4    2   29   30                                       
CONECT    4   24    3   31   32                                       
CONECT    5   24   22   33   34                                       
CONECT    6   10   14    7    7                                       
CONECT    7    6    6   13    8                                       
CONECT    8    7    9   18                                            
CONECT    9   14   17   17    8                                       
CONECT   10   16   11   11    6                                       
CONECT   11   19   10   10   12                                       
CONECT   12   11   13   13   35                                       
CONECT   13   12   12    7   36                                       
CONECT   14    1    1    6    9                                       
CONECT   15   16   16    1   37                                       
CONECT   16   15   15   10   38                                       
CONECT   17    9    9                                                 
CONECT   18    8   23   39   40                                       
CONECT   19   22   21   21   20                                       
CONECT   19   20   11                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    5    2   19                                            
CONECT   23   18   41   42   43                                       
CONECT   24   25    4    5   44                                       
CONECT   25   24   45                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
