COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.769   0.479   0.059  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.983  -3.124   1.073  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.268  -2.714   0.766  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.512  -1.399   0.415  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.845   1.438  -1.597  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.345   0.466  -2.668  1.00  0.00           C  
HETATM    7  C   UNL     1       5.876   2.763   2.011  1.00  0.00           C  
HETATM    8  C   UNL     1       4.874   1.117   0.618  1.00  0.00           C  
HETATM    9  C   UNL     1       6.152   0.691   0.297  1.00  0.00           C  
HETATM   10  C   UNL     1       6.329  -0.369  -0.579  1.00  0.00           C  
HETATM   11  C   UNL     1       7.693  -1.885  -1.803  1.00  0.00           C  
HETATM   12  C   UNL     1       5.227  -1.003  -1.135  1.00  0.00           C  
HETATM   13  C   UNL     1       3.951  -0.581  -0.817  1.00  0.00           C  
HETATM   14  C   UNL     1       1.419   0.015   0.329  1.00  0.00           C  
HETATM   15  C   UNL     1       0.641  -2.129   0.045  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.836  -0.417   0.461  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.184  -0.896   0.691  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.941  -2.218   1.037  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.473  -0.490   0.372  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.037   2.876  -2.084  1.00  0.00           C  
HETATM   21  N   UNL     1       2.472   0.905   0.386  1.00  0.00           N  
HETATM   22  N   UNL     1       1.648  -1.276   0.094  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.598  -1.706   0.229  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.131   0.023   0.654  1.00  0.00           N  
HETATM   25  N   UNL     1       0.175   0.443   0.516  1.00  0.00           N  
HETATM   26  O   UNL     1       4.698   2.157   1.476  1.00  0.00           O  
HETATM   27  O   UNL     1       7.584  -0.788  -0.894  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.220   1.940   0.996  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.183   1.226  -0.329  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.787   1.187  -0.067  1.00  0.00           S  
HETATM   31  H   UNL     1      -3.796  -4.152   1.347  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.082  -3.424   0.798  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.516  -1.082   0.176  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.788   1.256  -1.407  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.285  -0.554  -2.289  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.379   0.701  -2.918  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.726   0.559  -3.560  1.00  0.00           H  
HETATM   38  H   UNL     1       5.595   3.577   2.679  1.00  0.00           H  
HETATM   39  H   UNL     1       6.448   2.019   2.565  1.00  0.00           H  
HETATM   40  H   UNL     1       6.484   3.156   1.196  1.00  0.00           H  
HETATM   41  H   UNL     1       7.010   1.184   0.729  1.00  0.00           H  
HETATM   42  H   UNL     1       7.191  -2.756  -1.383  1.00  0.00           H  
HETATM   43  H   UNL     1       7.226  -1.619  -2.751  1.00  0.00           H  
HETATM   44  H   UNL     1       8.745  -2.117  -1.968  1.00  0.00           H  
HETATM   45  H   UNL     1       5.368  -1.828  -1.818  1.00  0.00           H  
HETATM   46  H   UNL     1       3.095  -1.076  -1.250  1.00  0.00           H  
HETATM   47  H   UNL     1       0.830  -3.176  -0.143  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.939  -2.537   1.286  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.681   3.568  -1.321  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.471   3.026  -3.003  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.095   3.057  -2.275  1.00  0.00           H  
HETATM   52  H   UNL     1       2.317   1.824   0.652  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.309   0.970   0.763  1.00  0.00           H  
CONECT    1   21    8    8   13                                       
CONECT    2   18    3    3   31                                       
CONECT    3    2    2    4   32                                       
CONECT    4   19   19    3   33                                       
CONECT    5   20   30    6   34                                       
CONECT    6    5   35   36   37                                       
CONECT    7   26   38   39   40                                       
CONECT    8   26    1    1    9                                       
CONECT    9    8   10   10   41                                       
CONECT   10    9    9   12   27                                       
CONECT   11   27   42   43   44                                       
CONECT   12   13   13   10   45                                       
CONECT   13    1   12   12   46                                       
CONECT   14   22   21   25   25                                       
CONECT   15   22   22   23   47                                       
CONECT   16   23   23   25   24                                       
CONECT   17   24   18   18   19                                       
CONECT   18   17   17    2   48                                       
CONECT   19   17   30    4    4                                       
CONECT   20    5   49   50   51                                       
CONECT   21   14    1   52                                            
CONECT   22   15   15   14                                            
CONECT   23   15   16   16                                            
CONECT   24   16   17   53                                            
CONECT   25   14   14   16                                            
CONECT   26    7    8                                                 
CONECT   27   10   11                                                 
CONECT   28   30   30                                                 
CONECT   29   30   30                                                 
CONECT   30   29   29    5   19                                       
CONECT   30   28   28                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
