File: benzene.mae

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{ 
 s_m_m2io_version
 :::
 2.0.0 
} 

f_m_ct { 
 s_m_title
 s_m_entry_id
 s_m_entry_name
 i_m_ct_format
 :::
 Structure1 
  1 
  entry 
  2
 m_atom[12] { 
  # First column is atom index #
  i_m_mmod_type
  r_m_x_coord
  r_m_y_coord
  r_m_z_coord
  i_m_residue_number
  i_m_color
  i_m_atomic_number
  :::
  1 2 -1.209600 0.698400 0.000017 900 2 6
  2 2 -1.209600 -0.698400 -0.000013 900 2 6
  3 2 0.000000 -1.396700 -0.000048 900 2 6
  4 2 1.209700 -0.698300 -0.000049 900 2 6
  5 2 1.209600 0.698300 -0.000048 900 2 6
  6 2 0.000000 1.396700 -0.000013 900 2 6
  7 41 -2.164000 1.249400 0.000025 900 21 1
  8 41 -2.164000 -1.249400 -0.000024 900 21 1
  9 41 0.000000 -2.498800 -0.000072 900 21 1
  10 41 2.164000 -1.249400 -0.000060 900 21 1
  11 41 2.164000 1.249400 -0.000072 900 21 1
  12 41 0.000000 2.498800 -0.000024 900 21 1
  :::
 } 
 m_bond[12] { 
  # First column is bond index #
  i_m_from
  i_m_to
  i_m_order
  :::
  1 1 2 2
  2 1 6 1
  3 1 7 1
  4 2 3 1
  5 2 8 1
  6 3 4 2
  7 3 9 1
  8 4 5 1
  9 4 10 1
  10 5 6 2
  11 5 11 1
  12 6 12 1
  :::
 } 
}