#
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
A77      A77 'N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-' non-polymer       116  58 M
#
data_comp_A77
#
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
 A77           C1     C    .         0.000
 A77           O2     O    .         0.000
 A77           N3     N    .         0.000
 A77           C4     C    .         0.000
 A77           C5     C    .         0.000
 A77           C6     C    .         0.000
 A77           C7     C    .         0.000
 A77           N8     N    .         0.000
 A77           C9     C    .         0.000
 A77           C10    C    .         0.000
 A77           C11    C    .         0.000
 A77           N21    N    .         0.000
 A77           C22    C    .         0.000
 A77           C23    C    .         0.000
 A77           O24    O    .         0.000
 A77           C25    C    .         0.000
 A77           C26    C    .         0.000
 A77           C27    C    .         0.000
 A77           N37    N    .         0.000
 A77           C38    C    .         0.000
 A77           C39    C    .         0.000
 A77           C40    C    .         0.000
 A77           C41    C    .         0.000
 A77           C42    C    .         0.000
 A77           C43    C    .         0.000
 A77           C44    C    .         0.000
 A77           C45    C    .         0.000
 A77           C46    C    .         0.000
 A77           O47    O    .         0.000
 A77           O48    O    .         0.000
 A77           C49    C    .         0.000
 A77           N50    N    .         0.000
 A77           C51    C    .         0.000
 A77           C52    C    .         0.000
 A77           C53    C    .         0.000
 A77           C54    C    .         0.000
 A77           C55    C    .         0.000
 A77           C56    C    .         0.000
 A77           C57    C    .         0.000
 A77           C58    C    .         0.000
 A77           N81    N    .         0.000
 A77           C82    C    .         0.000
 A77           C83    C    .         0.000
 A77           O84    O    .         0.000
 A77           C85    C    .         0.000
 A77           C86    C    .         0.000
 A77           C87    C    .         0.000
 A77           C97    C    .         0.000
 A77           O98    O    .         0.000
 A77           N99    N    .         0.000
 A77           C2     C    .         0.000
 A77           C3     C    .         0.000
 A77           C8     C    .         0.000
 A77           C12    C    .         0.000
 A77           N10    N    .         0.000
 A77           C13    C    .         0.000
 A77           C14    C    .         0.000
 A77           C15    C    .         0.000
 A77           H1     H    .         0.000
 A77           H2     H    .         0.000
 A77           H3     H    .         0.000
 A77           H4     H    .         0.000
 A77           H5     H    .         0.000
 A77           H6     H    .         0.000
 A77           H7     H    .         0.000
 A77           H10    H    .         0.000
 A77           H11    H    .         0.000
 A77           H12    H    .         0.000
 A77           H13    H    .         0.000
 A77           H14    H    .         0.000
 A77           H15    H    .         0.000
 A77           H16    H    .         0.000
 A77           H17    H    .         0.000
 A77           H18    H    .         0.000
 A77           H19    H    .         0.000
 A77           H20    H    .         0.000
 A77           H28    H    .         0.000
 A77           H29    H    .         0.000
 A77           H30    H    .         0.000
 A77           H31    H    .         0.000
 A77           H32    H    .         0.000
 A77           H33    H    .         0.000
 A77           H34    H    .         0.000
 A77           H35    H    .         0.000
 A77           H36    H    .         0.000
 A77           H59    H    .         0.000
 A77           H60    H    .         0.000
 A77           H61    H    .         0.000
 A77           H62    H    .         0.000
 A77           H63    H    .         0.000
 A77           H64    H    .         0.000
 A77           H65    H    .         0.000
 A77           H66    H    .         0.000
 A77           H67    H    .         0.000
 A77           H68    H    .         0.000
 A77           H69    H    .         0.000
 A77           H70    H    .         0.000
 A77           H71    H    .         0.000
 A77           H72    H    .         0.000
 A77           H73    H    .         0.000
 A77           H74    H    .         0.000
 A77           H75    H    .         0.000
 A77           H76    H    .         0.000
 A77           H77    H    .         0.000
 A77           H78    H    .         0.000
 A77           H79    H    .         0.000
 A77           H80    H    .         0.000
 A77           H88    H    .         0.000
 A77           H89    H    .         0.000
 A77           H90    H    .         0.000
 A77           H91    H    .         0.000
 A77           H92    H    .         0.000
 A77           H93    H    .         0.000
 A77           H94    H    .         0.000
 A77           H95    H    .         0.000
 A77           H96    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
 A77        C1     O2        double
 A77        C1     N3        single
 A77        C1     N21       single
 A77        N3     C4        single
 A77        N3     C5        single
 A77        C4     H12       single
 A77        C4     H13       single
 A77        C4     H14       single
 A77        C5     C6        single
 A77        C5     H15       single
 A77        C5     H16       single
 A77        C6     C7        single
 A77        C6     N8        double
 A77        C7     C9        double
 A77        C7     H17       single
 A77        N8     C10       single
 A77        C9     C11       single
 A77        C9     H18       single
 A77        C10    C11       double
 A77        C10    H19       single
 A77        C11    H20       single
 A77        N21    C22       single
 A77        N21    H28       single
 A77        C22    C23       single
 A77        C22    C25       single
 A77        C22    H29       single
 A77        C23    O24       double
 A77        C23    N37       single
 A77        C25    C26       single
 A77        C25    C27       single
 A77        C25    H30       single
 A77        C26    H31       single
 A77        C26    H32       single
 A77        C26    H33       single
 A77        C27    H34       single
 A77        C27    H35       single
 A77        C27    H36       single
 A77        N37    C38       single
 A77        N37    H59       single
 A77        C38    C39       single
 A77        C38    C46       single
 A77        C38    H60       single
 A77        C39    C40       single
 A77        C39    H61       single
 A77        C39    H62       single
 A77        C40    C41       double
 A77        C40    C45       single
 A77        C41    C42       single
 A77        C41    H63       single
 A77        C42    C43       double
 A77        C42    H64       single
 A77        C43    C44       single
 A77        C43    H65       single
 A77        C44    C45       double
 A77        C44    H66       single
 A77        C45    H67       single
 A77        C46    O47       single
 A77        C46    C49       single
 A77        C46    H68       single
 A77        O47    H69       single
 A77        O48    C49       single
 A77        O48    H70       single
 A77        C49    C51       single
 A77        C49    H71       single
 A77        N50    C51       single
 A77        N50    C83       single
 A77        N50    H72       single
 A77        C51    C52       single
 A77        C51    H73       single
 A77        C52    C53       single
 A77        C52    H74       single
 A77        C52    H75       single
 A77        C53    C54       double
 A77        C53    C58       single
 A77        C54    C55       single
 A77        C54    H76       single
 A77        C55    C56       double
 A77        C55    H77       single
 A77        C56    C57       single
 A77        C56    H78       single
 A77        C57    C58       double
 A77        C57    H79       single
 A77        C58    H80       single
 A77        N81    C82       single
 A77        N81    C97       single
 A77        N81    H88       single
 A77        C82    C83       single
 A77        C82    C85       single
 A77        C82    H89       single
 A77        C83    O84       double
 A77        C85    C86       single
 A77        C85    C87       single
 A77        C85    H90       single
 A77        C86    H91       single
 A77        C86    H92       single
 A77        C86    H93       single
 A77        C87    H94       single
 A77        C87    H95       single
 A77        C87    H96       single
 A77        C97    O98       double
 A77        C97    N99       single
 A77        N99    C2        single
 A77        N99    C3        single
 A77        C2     H1        single
 A77        C2     H10       single
 A77        C2     H11       single
 A77        C3     C8        single
 A77        C3     H2        single
 A77        C3     H3        single
 A77        C8     C12       single
 A77        C8     N10       double
 A77        C12    C13       double
 A77        C12    H4        single
 A77        N10    C14       single
 A77        C13    C15       single
 A77        C13    H5        single
 A77        C14    C15       double
 A77        C14    H6        single
 A77        C15    H7        single