COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.957  -0.434   0.082  1.00  0.00           C  
HETATM    2  C   UNL     1       4.000  -0.605   1.066  1.00  0.00           C  
HETATM    3  C   UNL     1       2.699  -0.204   0.844  1.00  0.00           C  
HETATM    4  C   UNL     1       0.952   0.803  -0.622  1.00  0.00           C  
HETATM    5  C   UNL     1       0.164   0.200  -1.564  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.812   1.324  -0.797  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.871   0.354  -1.553  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.466  -0.788  -0.770  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.862  -2.026  -0.783  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.409  -3.078  -0.063  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.560  -2.903   0.675  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.184  -1.662   0.703  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.485   0.104   1.027  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.308   3.174   0.829  1.00  0.00           C  
HETATM   15  C   UNL     1       0.325   1.900   0.136  1.00  0.00           C  
HETATM   16  O   UNL     1       7.396  -0.120  -0.479  1.00  0.00           O  
HETATM   17  S   UNL     1       6.617  -0.949   0.373  1.00  0.00           S  
HETATM   18  O   UNL     1       6.760  -0.889   1.786  1.00  0.00           O  
HETATM   19  C   UNL     1       6.663  -2.671  -0.198  1.00  0.00           C  
HETATM   20  C   UNL     1       4.615   0.135  -1.132  1.00  0.00           C  
HETATM   21  C   UNL     1       3.316   0.535  -1.368  1.00  0.00           C  
HETATM   22  C   UNL     1       2.349   0.375  -0.375  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.041   2.125   0.028  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.172   3.544   1.372  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.102   1.216  -0.652  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.119   0.645  -1.789  1.00  0.00           N  
HETATM   27  N   UNL     1       0.791   2.789   0.959  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.627  -0.596  -0.023  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.290  -1.195   1.315  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.511   0.550   0.222  1.00  0.00           C  
HETATM   31  H   UNL     1       4.272  -1.055   2.010  1.00  0.00           H  
HETATM   32  H   UNL     1       1.952  -0.339   1.613  1.00  0.00           H  
HETATM   33  H   UNL     1       0.552  -0.631  -2.135  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.212  -0.041  -2.328  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.670   0.932  -2.016  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.960  -2.179  -1.357  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.928  -4.045  -0.080  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.976  -3.729   1.232  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.304   0.703   1.397  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.275   3.625   0.994  1.00  0.00           H  
HETATM   41  H   UNL     1       7.666  -3.074  -0.054  1.00  0.00           H  
HETATM   42  H   UNL     1       5.948  -3.262   0.373  1.00  0.00           H  
HETATM   43  H   UNL     1       6.405  -2.709  -1.256  1.00  0.00           H  
HETATM   44  H   UNL     1       5.365   0.258  -1.900  1.00  0.00           H  
HETATM   45  H   UNL     1       3.050   0.979  -2.316  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.541   0.482  -2.647  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.405   1.548  -0.176  1.00  0.00           H  
CONECT    1   17   20    2    2                                       
CONECT    2    1    1    3   31                                       
CONECT    3   22   22    2   32                                       
CONECT    4   22   15    5    5                                       
CONECT    5    4    4   26   33                                       
CONECT    6   23   26   25   25                                       
CONECT    7   25    8   34   35                                       
CONECT    8    9    7   28   28                                       
CONECT    9   10   10    8   36                                       
CONECT   10    9    9   11   37                                       
CONECT   11   10   12   12   38                                       
CONECT   12   11   11   28   29                                       
CONECT   13   30   30   29   39                                       
CONECT   14   24   24   23   40                                       
CONECT   15   27   27    4   23                                       
CONECT   16   17   17                                                 
CONECT   17   16   16   19    1                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   41   42   43                                       
CONECT   20   21   21    1   44                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21    4    3    3                                       
CONECT   23   15   14    6                                            
CONECT   24   27   14   14                                            
CONECT   25    6    6    7                                            
CONECT   26    5    6   46                                            
CONECT   27   15   15   24                                            
CONECT   28    8    8   12   30                                       
CONECT   29   12   13                                                 
CONECT   30   28   13   13   47                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   26                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
