C INCLUDE 'CIF_items_lib.fh' C ------------------------------------------------------------ CHARACTER*40 * ITL_GLOBAL,ITL_LIB_NAME,ITL_LIB_VER,ITL_LIB_UPD C CHARACTER*40 * ITL_SNM,ITL_SNMA,ITL_SNM_ID,ITL_SNMA_ID,ITL_SNM_CALT *,ITL_SNM_MOD,ITL_SNM_ATM CHARACTER*43 ITL_SNM_AALT CHARACTER*43 ITL_SNMA_CALT C C CHARACTER*40 * ITL_DER C CHARACTER*40 * ITL_CMP,ITL_DCMP,ITL_CMPA,ITL_CMPR,ITL_CMPB,ITL_CMPG,ITL_CMPT, * ITL_CMPC,ITL_CMPP C CHARACTER*40 * ITL_CMP_ID, ITL_CMP_3LT,ITL_CMP_TYP,ITL_CMP_NA,ITL_CMP_NH, * ITL_CMP_NAM,ITL_CMP_FOR,ITL_CMP_DSC C CHARACTER*40 * ITL_MOD,ITL_MODA *,ITL_MODR,ITL_MODB,ITL_MODG,ITL_MODT,ITL_MODC,ITL_MODP *,ITL_MOD_ID,ITL_MOD_NAME,ITL_MOD_COMP,ITL_MOD_GRP C CHARACTER*40 * ITL_LNK,ITL_LNKB *,ITL_LNKG,ITL_LNKT,ITL_LNKC,ITL_LNKP *,ITL_LNK_ID,ITL_LNK_NAME,ITL_LNK_COM1,ITL_LNK_MOD1,ITL_LNK_GRP1 * ,ITL_LNK_COM2,ITL_LNK_MOD2,ITL_LNK_GRP2 C CHARACTER*40 * ITL_T C -------------------------------------------------- DATA ITL_GLOBAL /'global_ '/ DATA ITL_LIB_NAME /'_lib_name '/ DATA ITL_LIB_VER /'_lib_version '/ DATA ITL_LIB_UPD /'_lib_update '/ C --- --- DATA ITL_SNM /'_chem_comp_synonym. '/ DATA ITL_SNMA /'_chem_comp_synonym_atom. '/ DATA ITL_SNM_ID /'_chem_comp_synonym.comp_id '/ DATA ITL_SNMA_ID /'_chem_comp_synonym_atom.comp_id '/ DATA ITL_SNM_CALT /'_chem_comp_synonym.comp_alternative_id '/ DATA ITL_SNMA_CALT /'_chem_comp_synonym_atom.comp_alternative_id'/ DATA ITL_SNM_MOD /'_chem_comp_synonym.mod_id '/ DATA ITL_SNM_ATM /'_chem_comp_synonym_atom.atom_id '/ DATA ITL_SNM_AALT /'_chem_comp_synonym_atom.atom_alternative_id'/ C DATA ITL_DER /'_chem_comp_deriv. '/ C DATA ITL_MOD /'_chem_mod. '/ DATA ITL_MOD_ID /'_chem_mod.id '/ DATA ITL_MOD_NAME /'_chem_mod.name '/ DATA ITL_MOD_COMP /'_chem_mod.comp_id '/ DATA ITL_MOD_GRP /'_chem_mod.group_id '/ DATA ITL_MODA /'_chem_mod_atom. '/ DATA ITL_MODR /'_chem_mod_tree. '/ DATA ITL_MODB /'_chem_mod_bond. '/ DATA ITL_MODG /'_chem_mod_angle. '/ DATA ITL_MODT /'_chem_mod_tor. '/ DATA ITL_MODC /'_chem_mod_chir. '/ DATA ITL_MODP /'_chem_mod_plane_atom '/ C DATA ITL_LNK /'_chem_link. '/ DATA ITL_LNK_ID /'_chem_link.id '/ DATA ITL_LNK_NAME /'_chem_link.name '/ DATA ITL_LNK_COM1 /'_chem_link.comp_id_1 '/ DATA ITL_LNK_MOD1 /'_chem_link.mod_id_1 '/ DATA ITL_LNK_GRP1 /'_chem_link.group_comp_1 '/ DATA ITL_LNK_COM2 /'_chem_link.comp_id_2 '/ DATA ITL_LNK_MOD2 /'_chem_link.mod_id_2 '/ DATA ITL_LNK_GRP2 /'_chem_link.group_comp_2 '/ DATA ITL_LNKB /'_chem_link_bond. '/ DATA ITL_LNKG /'_chem_link_angle. '/ DATA ITL_LNKT /'_chem_link_tor. '/ DATA ITL_LNKC /'_chem_link_chir. '/ DATA ITL_LNKP /'_chem_link_plane. '/ C DATA ITL_DCMP /'data_comp_ '/ DATA ITL_CMP /'_chem_comp. '/ DATA ITL_CMPA /'_chem_comp_atom. '/ DATA ITL_CMPR /'_chem_comp_tree. '/ DATA ITL_CMPB /'_chem_comp_bond. '/ DATA ITL_CMPG /'_chem_comp_angle. '/ DATA ITL_CMPT /'_chem_comp_tor. '/ DATA ITL_CMPC /'_chem_comp_chir. '/ DATA ITL_CMPP /'_chem_comp_plane_atom. '/ C DATA ITL_CMP_ID /'_chem_comp.id '/ DATA ITL_CMP_3LT /'_chem_comp.three_letter_code '/ DATA ITL_CMP_TYP /'_chem_comp.group '/ DATA ITL_CMP_NA /'_chem_comp.number_atoms_all '/ DATA ITL_CMP_NH /'_chem_comp.number_atoms_nh '/ DATA ITL_CMP_NAM /'_chem_comp.name '/ DATA ITL_CMP_FOR /'_chem_comp.formula '/ DATA ITL_CMP_DSC /'_chem_comp.desc_level '/ C DATA ITL_T /' '/ C =====================================================================