#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
AND      AND '3-BETA-HYDROXY-5-ANDROSTEN-17-ONE   ' non-polymer        49  21 M
#
data_comp_AND
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
 AND           C1     C    .         0.000
 AND           C2     C    .         0.000
 AND           C3     C    .         0.000
 AND           O3     O    .         0.000
 AND           C4     C    .         0.000
 AND           C5     C    .         0.000
 AND           C6     C    .         0.000
 AND           C7     C    .         0.000
 AND           C8     C    .         0.000
 AND           C9     C    .         0.000
 AND           C10    C    .         0.000
 AND           C11    C    .         0.000
 AND           C12    C    .         0.000
 AND           C13    C    .         0.000
 AND           C14    C    .         0.000
 AND           C15    C    .         0.000
 AND           C16    C    .         0.000
 AND           C17    C    .         0.000
 AND           O17    O    .         0.000
 AND           C18    C    .         0.000
 AND           C19    C    .         0.000
 AND           HO3    H    .         0.000
 AND           H11    H    .         0.000
 AND           H12    H    .         0.000
 AND           H21    H    .         0.000
 AND           H22    H    .         0.000
 AND           H3     H    .         0.000
 AND           H41    H    .         0.000
 AND           H42    H    .         0.000
 AND           H6     H    .         0.000
 AND           H71    H    .         0.000
 AND           H72    H    .         0.000
 AND           H8     H    .         0.000
 AND           H9     H    .         0.000
 AND           H111   H    .         0.000
 AND           H112   H    .         0.000
 AND           H121   H    .         0.000
 AND           H122   H    .         0.000
 AND           H14    H    .         0.000
 AND           H151   H    .         0.000
 AND           H152   H    .         0.000
 AND           H161   H    .         0.000
 AND           H162   H    .         0.000
 AND           H181   H    .         0.000
 AND           H182   H    .         0.000
 AND           H183   H    .         0.000
 AND           H191   H    .         0.000
 AND           H192   H    .         0.000
 AND           H193   H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 AND        C1     C2        single
 AND        C1     C10       single
 AND        C1     H11       single
 AND        C1     H12       single
 AND        C2     C3        single
 AND        C2     H21       single
 AND        C2     H22       single
 AND        C3     C4        single
 AND        C3     O3        single
 AND        C3     H3        single
 AND        O3     HO3       single
 AND        C4     C5        single
 AND        C4     H41       single
 AND        C4     H42       single
 AND        C5     C6        double
 AND        C5     C10       single
 AND        C6     C7        single
 AND        C6     H6        single
 AND        C7     C8        single
 AND        C7     H71       single
 AND        C7     H72       single
 AND        C8     C9        single
 AND        C8     C14       single
 AND        C8     H8        single
 AND        C9     C10       single
 AND        C9     C11       single
 AND        C9     H9        single
 AND        C10    C19       single
 AND        C11    C12       single
 AND        C11    H111      single
 AND        C11    H112      single
 AND        C12    C13       single
 AND        C12    H121      single
 AND        C12    H122      single
 AND        C13    C14       single
 AND        C13    C17       single
 AND        C13    C18       single
 AND        C14    C15       single
 AND        C14    H14       single
 AND        C15    C16       single
 AND        C15    H151      single
 AND        C15    H152      single
 AND        C16    C17       single
 AND        C16    H161      single
 AND        C16    H162      single
 AND        C17    O17       double
 AND        C18    H181      single
 AND        C18    H182      single
 AND        C18    H183      single
 AND        C19    H191      single
 AND        C19    H192      single
 AND        C19    H193      single