1                                                 #   NSC number in record 1     
  MACCS-II FROM NCI/DIS
553-97-9                                          #   CAS reg number in record 3
  9  9                                            #   num of atoms, num of bonds
    0.0000    0.0000    0.0000 C   0  0  0  0  0  #   node specifications
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0
  2  1  1  0  0  0                                #  bond specifications
  3  2  1  0  0  0 
  4  2  2  0  0  0
  5  3  2  0  0  0
  6  3  1  0  0  0
  7  4  1  0  0  0
  8  6  2  0  0  0
  9  7  2  0  0  0
  7  8  1  0  0  0
                                                  #  blank line
> <NSC>                                           #  NSC field name
1                                                 #  NSC number
                                                  #  blank line
> <CAS_RN>                                        #  CAS reg number field name
553-97-9                                          #  CAS reg num
                                                  #  blank line
$$$$                                              #  end of this compound