COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.287   3.922  -0.008  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.440   2.718  -0.007  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.765   1.758  -0.006  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.940   0.587  -0.005  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.555   0.717  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.921   2.084  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.760  -0.426   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.405  -0.350   0.003  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.535  -0.681   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.766  -1.809   0.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.375  -1.700  -0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.506  -2.885   0.001  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.970  -4.010   0.004  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.168  -2.677  -0.002  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.663  -1.416   0.005  1.00  0.00           C  
HETATM   16  C   UNL     1       0.834  -1.245   0.001  1.00  0.00           C  
HETATM   17  S   UNL     1       1.241   0.523   0.012  1.00  0.00           S  
HETATM   18  C   UNL     1       3.003   0.524   0.006  1.00  0.00           C  
HETATM   19  C   UNL     1       3.697   1.732   0.013  1.00  0.00           C  
HETATM   20  C   UNL     1       5.063   1.736   0.008  1.00  0.00           C  
HETATM   21  C   UNL     1       5.765   0.526  -0.002  1.00  0.00           C  
HETATM   22  C   UNL     1       7.238   0.527  -0.007  1.00  0.00           C  
HETATM   23  O   UNL     1       7.845   1.579  -0.001  1.00  0.00           O  
HETATM   24  O   UNL     1       7.913  -0.640  -0.017  1.00  0.00           O  
HETATM   25  C   UNL     1       5.065  -0.685  -0.008  1.00  0.00           C  
HETATM   26  C   UNL     1       3.699  -0.683   0.001  1.00  0.00           C  
HETATM   27  H   UNL     1      -8.337   3.628  -0.010  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.078   4.515   0.882  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.074   4.515  -0.898  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.770   2.414   1.028  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.960   2.039  -0.512  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.574   2.789  -0.515  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.611  -0.768   0.002  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.232  -2.783   0.005  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.564  -3.436  -0.001  1.00  0.00           H  
HETATM   36  H   UNL     1       1.256  -1.720   0.886  1.00  0.00           H  
HETATM   37  H   UNL     1       1.250  -1.708  -0.894  1.00  0.00           H  
HETATM   38  H   UNL     1       3.155   2.666   0.021  1.00  0.00           H  
HETATM   39  H   UNL     1       5.601   2.672   0.012  1.00  0.00           H  
HETATM   40  H   UNL     1       8.878  -0.589  -0.020  1.00  0.00           H  
HETATM   41  H   UNL     1       5.604  -1.621  -0.016  1.00  0.00           H  
HETATM   42  H   UNL     1       3.158  -1.618   0.001  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    3    3    1                                       
CONECT    3    4    2    2    2                                       
CONECT    4    9    9    5    3                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5   30   31   32                                       
CONECT    7   11    8    5    5                                       
CONECT    8   15   15    7                                            
CONECT    9   10    4    4   33                                       
CONECT   10   11   11    9   34                                       
CONECT   11   12   10   10    7                                       
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   35                                            
CONECT   15   14   16    8    8                                       
CONECT   16   15   17   36   37                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   26                                       
CONECT   19   18   18   20   38                                       
CONECT   20   19   21   21   39                                       
CONECT   21   20   20   25   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   40                                                 
CONECT   25   26   26   21   41                                       
CONECT   26   18   25   25   42                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
