CTAN sync 202202280302

1 files changed, 233 insertions, 327 deletions

diff --git a/graphics/mcf2graph/mcf2graph.mp b/graphics/mcf2graph/mcf2graph.mp
index b440e07e06..a34c4a9054 100644
--- a/graphics/mcf2graph/mcf2graph.mp
+++ b/graphics/mcf2graph/mcf2graph.mp
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.80    Copyright (c) 2013-2022   Akira Yamaji
+% mcf2graph ver 4.81    Copyright (c) 2013-2022   Akira Yamaji
 %
 % Permission is hereby granted, free of charge, to any person obtaining a copy of this software
 % and associated documentation files (the "Software"), to deal in the Software without restriction,
@@ -33,18 +33,14 @@
 % Set output MOL file (V3000)                           : mpost -s ahlength=6     FILENAME
 % Set output report                                     : mpost -s ahlength=7     FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-tracingstats:=1;
-message "* This is mcf2graph ver 4.80  2022.02.20";
+message "* This is mcf2graph ver 4.81  2022.02.27";
+tracingstats:=1; prologues:=3; warningcheck:=0;
 %-------------------------------------------------------------------------------------------------
-newinternal numeric nA,nB,nC,nD,nE,nF,nH,nN,nL,nR,nS,nU,nP,nW,nX,nY,mc_row;
-newinternal string tempc,temps,blanks,aux_delimiter,atomfont,sC,sI,sS,sT,sV,cC,cH,cO,cN,cS,cF,cP,
-                   file_input,file_output;
-numeric save_num[],comD[][],parD[][],adrD[][],cntD[],tbl_atom[],tbl_group[][],tbl_atom_wt[],
+numeric save_num[],parts_com[][],parts_par[][],parts_cnt[],tbl_atom[],tbl_group[][],tbl_atom_wt[],
         tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[];
-string  mc[],mc,save_str[],tbl_atom_str[],strD[],tag[],default_data_file,default_temp_file,mpfont;
-pair    save_pair[],msize,mposition,fsize,fmargin,dum,mpos;
-picture mol_pic[];
-color color_list[];
+string  save_str[],tbl_atom_str[],str_tbl[],tag[],aux_delimiter,default_data_file,
+        default_temp_file,mpfont,atomfont,tempc,temps,blanks;
+pair    save_pair[],msize,mposition,fsize,fmargin,dum,save_mposition;
 %-------------------------------------------------------------------------------------------------
 fig_num:=str_cnt:=tbl_cnt:=mangle:=sw_expand:=sw_frame:=sw_trimming:=sw_ext_all:=0;
 sw_abbreviate:=sw_numbering:=sw_output:=0; numbering_start:=1; numbering_end:=4095;
@@ -60,7 +56,6 @@ a_ast:=ASCII("*"); a_sls:=ASCII("/"); a_gtn:=ASCII("<"); a_ltn:=ASCII(">"); a_an
 a_dol:=ASCII("$"); a_hsh:=ASCII("#"); a_hat:=ASCII("^"); a_tld:=ASCII("~"); a_bqt:=ASCII("`");
 a_cln:=ASCII(":"); a_amk:=ASCII("@"); a_zero:=ASCII("0"); a_nine:=ASCII("9"); a_qut:=ASCII("'");
 a_bar:=ASCII("|"); a_plus:=ASCII("+"); a_minus:=ASCII("-");
-cC:="C"; cH:="H"; cO:="O"; cN:="N"; cS:="S"; cF:="F"; cP:="P"; 
 %-------------------------------------------------------------------------------------------------
 let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =; let ef=elseif;
 let ISP=intersectionpoint; def ]]]=] ] ] enddef;
@@ -84,8 +79,6 @@ vardef fdl(expr n)(expr s)= fsl(n)(decimal(s)) enddef;
 def printf expr s= write s to file_output enddef;
 def warning(expr s)= message "% "&decimal(fig_num)&fdr(3)(incr warning_cnt)&")"&s; enddef;
 %=================================================================================================
-prologues:=3;
-warningcheck:=0;
 default_data_file:="mcf_data_base.mcf"; default_temp_file:="temp.mcf";
 mpfont:="uhvr8r"; atomfont:="draw"; defaultfont:=mpfont;
 %--default ahangle=45---------------------------------------------------------------------
@@ -109,35 +102,25 @@ fi
 if bboxmargin=3: ext(defaultfont:=mpfont; defaultscale:=.3; label.rt(inf_EN,(0,0));)
 ef bboxmargin=4: sw_output:=Fig+Calc;
   ext(defaultfont:=mpfont; defaultscale:=.3;
-  label.rt(inf_EN&" / "&cal_MW&" / "&decimal(num_MW-scantokens(inf_MW)),(0,0));)
-fi
+  label.rt(inf_EN&" / "&cal_MW&" / "&decimal(num_MW-scantokens(inf_MW)),(0,0));) fi
 %--default outputtemplate:="%j-%3c."&"mps"------------------------------------------------
 if (outputformat="eps")and(ahangle<>3): outputtemplate:="%j-%3c."&"mps";
-else:                                   outputtemplate:="%j-%3c."&outputformat;
-fi
+else:                                   outputtemplate:="%j-%3c."&outputformat; fi
 %-----------------------------------------------------------------------------------------
 if sw_output>=Info:
-  message "* jobname="&jobname;
-  message "* numbersystem="&numbersystem;
+  message "* jobname="&jobname; message "* numbersystem="&numbersystem;
   if (ahlength=1)or(ahlength=2):
-                 message "* output information file";
-                 message "* file name="&jobname&"-info.aux";
+                 message "* output information file"; message "* file name="&jobname&"-info.aux";
                  message "* info delimiter="&aux_delimiter;
-  ef ahlength=3: message "* output data-base file";
+  ef ahlength=3: message "* output data-base file"; 
                  message "* data-base file name="&jobname&"-data.aux";
-  ef ahlength=5: message "* output MOL file(V2000)";
-                 message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
-  ef ahlength=6: message "* output MOL file(V3000)";
-                 message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
-  ef ahlength=7: message "* output report file";
-                 message "* file name="&jobname&"-report.txt";
-  fi
+  ef ahlength=5: message "* output MOL file(V2000)"; message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
+  ef ahlength=6: message "* output MOL file(V3000)"; message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
+  ef ahlength=7: message "* output report file"; message "* file name="&jobname&"-report.txt"; fi
   message "* outputformat="&outputformat;
   if outputformat="png": message "* hppp="&decimal(hppp)&"/vppp="&decimal(vppp); fi
   message "* outputtemplate="&outputtemplate;
-  message "* atomfont="&atomfont;
-  message "* defaultfont="&defaultfont;
-fi
+  message "* atomfont="&atomfont; message "* defaultfont="&defaultfont; fi
 clearit;
 %--------------------------------------------------------------------------------------------------
 ?3:=?20:=Ph:=Ph1:=Ph2:=hz:=0; vt:=1;
@@ -149,10 +132,9 @@ offset_wedge:=0.4; thickness_frame:=0.2;
 max_blength:=10mm; blength:=mangle:=0; max_labelsize:=20mm; dottedline_gap:=1.5;
 %--------------------------------------------------------------------------------------------------
 fsize:=(30mm,20mm); fmargin:=(0.4mm,0.4mm); msize:=(1,1); mposition:=(0.5,0.5);
-%==================================================================================================
-bboxmargin:=0; % 2bp => 0
+%=== bboxmargin:=0; % 2bp => 0 ====================================================================
 ahangle:=45; ahlength:=4; defaultsize:=8; defaultscale:=1; labeloffset:=3; ext_defaultline:=0.5;
-lonepairdiam:=lonepairspace:=circlediam:=circlepen:=0;
+lonepairdiam:=lonepairspace:=circlediam:=circlepen:=bboxmargin:=0;
 %==================================================================================================
 parts_emb_start:=1000;     % 1001 => 2000   for embedded parts (max 1900)
 parts_emi_start:=1900;     % 1901 => 2000   for embedded internal parts (max 100)
@@ -160,8 +142,9 @@ parts_usr_start:=2000;     % 2001 => 3000   for user     parts (max 1000)
 parts_int_start:=3000;     % 3001 => 4000   for internal parts (max 1000)
 %--------------------------------------------------------------------------------------------------
 def def_com(expr n)(text tx)= nA:=n; forsuffixes list=tx:: list:=nA; nA:=nA+1; endfor enddef;
-def_com(-4090)(_com,_jp_atom,_jp_absA,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_tmp_line,
-  _chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_adj_ang,_chg_env,_tmp_env,_set_colorA,_set_colorB,  _group_si,_group_dm,_group_wf,_group_zf,_set_adr,_mk_bond,_set_atom,_arrange_ang,_chg_atom,
+def_com(-4090)(_com,_jp_atom,_jp_absA,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_tmp_line,_chg_len,
+  _get_len,_ring_len,_tmp_len,_rot_ang,_adj_ang,_chg_env,_tmp_env,_set_colorA,_set_colorB,
+  _group_si,_group_dm,_group_wf,_group_zf,_set_adr,_mk_bond,_set_atom,_arrange_ang,_chg_atom,
   _tmp_rot,_fuse,_size_atom,_numeric,_jump_at,_set_add,_chg_add,_nop,_mark,_moff,_term,_len_s,
   _len_e,_len_ss,_len_ee,_group_s,_group_e,_rest,_charge,_from,_until,
   si,dl,dl_,dr,dr_,db,dm,dm_,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,nb,wf_r,wb_r,bd_r,
@@ -179,52 +162,52 @@ enddef;
 %--------------------------------------------------------------------------------------------------
 def init_par(text t)=
   nA:=nB:=nC:=0;
-  for list=t:
-    if numeric list: nA:=nA+1; save_num[nA]:=list;
-    ef pair list:    nB:=nB+1; save_pair[nB]:=list;
-    ef string list:  nC:=nC+1; save_str[nC]:=list;
-    fi
+  for list=t: if numeric list: nA:=nA+1; save_num[nA]:=list;
+              ef pair list:    nB:=nB+1; save_pair[nB]:=list;
+              ef string list:  nC:=nC+1; save_str[nC]:=list; fi
   endfor
 enddef;
 %--------------------------------------------------------------------------------------------------
 def store_par(text t)=
   nA:=nB:=nC:=0;
-  for list=t:
-    if numeric list: nA:=nA+1; if save_num[nA]<>list:  save_num[nA]:=list; fi
-    ef pair list:    nB:=nB+1; if save_pair[nB]<>list: save_pair[nB]:=list; fi
-    ef string list:  nC:=nC+1; if save_str[nC]<>list:  save_str[nC]:=list; fi
-    fi
+  for list=t: if numeric list: nA:=nA+1; if save_num[nA]<>list:  save_num[nA]:=list; fi
+              ef pair list:    nB:=nB+1; if save_pair[nB]<>list: save_pair[nB]:=list; fi
+              ef string list:  nC:=nC+1; if save_str[nC]<>list:  save_str[nC]:=list; fi fi
   endfor
 enddef;
 %--------------------------------------------------------------------------------------------------
 def restore_par(text t)=
   nA:=nB:=nC:=0;
-  forsuffixes list=t:
-    if numeric list: nA:=nA+1; if list<>save_num[nA]:  list:=save_num[nA]; fi
-    ef pair    list: nB:=nB+1; if list<>save_pair[nB]: list:=save_pair[nB]; fi
-    ef string  list: nC:=nC+1; if list<>save_str[nC]:  list:=save_str[nC]; fi
-    fi
+  forsuffixes list=t: if numeric list: nA:=nA+1; if list<>save_num[nA]:  list:=save_num[nA]; fi
+                      ef pair    list: nB:=nB+1; if list<>save_pair[nB]: list:=save_pair[nB]; fi
+                      ef string  list: nC:=nC+1; if list<>save_str[nC]:  list:=save_str[nC]; fi fi
   endfor
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def beginfigm(text s)=
   begingroup
-  save ',f_ext,blen,ext,add,ang_br,fw_n,bw_n,at_colon,info_cnt,group_num,info_s,bond_cntA,
-       warning_cnt,hideH_cnt,filter_s,mc_indent,cntM,cntA,cntB,minX,minY,maxX,maxY,posA,posM,hideH,       lineB,sB,eB,angB,angA,lenB,angX,numS,sumA,bond_num,wdM,htM,chargeA,addA,add_rot,cal_FM,
-       cal_MW,cal_MI,inf_Cat,inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
-  numeric mc_indent[],hideH[],lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],sumA[],
-          bond_num[],wdM[],htM[],chargeA[],addA[],add_rot[];
+  save ',mc,f_ext,blen,ext,add,ang_br,fw_n,bw_n,at_colon,info_cnt,group_num,info_s,bond_cntA,
+       warning_cnt,hideH_cnt,filter_s,mc_indent,cntM,cntA,cntB,minX,minY,maxX,maxY,posA,posM,
+       hideH,lineB,sB,eB,angB,angA,lenB,angX,numS,sumA,bond_num,wdM,htM,chargeA,addA,add_rot,
+       file_input,file_output,cal_FM,cal_MW,cal_MI,inf_Cat,inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,
+       inf_USE,inf_EXA,inf_EXB,inf_MW,mol_pic,sC,sI,sS,sT,sV,color_list,
+       unit_cnt,f_end,semic_cnt,f_match,var_n,tag_a,var_a,at_semic;
+  numeric mc_indent[],hideH[],lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],strA[],sumA[],
+          bond_num[],wdM[],htM[],chargeA[],addA[],add_rot[],at_semic[];
   pair posA[],posM[][];
-  string info_s[],filter_s,cal_FM,cal_MW,cal_MI,inf_Cat,inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,
-         inf_USE,inf_EXA,inf_EXB,inf_MW;
+  string info_s[],mc[],tag_a[],var_a[],mc,filter_s,file_input,file_output,cal_FM,cal_MW,cal_MI,
+         inf_Cat,inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,
+         sC,sI,sS,sT,sV;
+  picture mol_pic[];
+  color color_list[];
   %------------------------------------------------------------------------------------------------
-  def ext=ext_to_fig enddef; def add=add_to_molecule enddef; def '=read_ud enddef;
+  let ext=ext_to_fig; let add=add_to_molecule; def '=read_ud enddef;
   %------------------------------------------------------------------------------------------------
   inf_NO:=inf_EN:=inf_JN:=inf_MW:=inf_FM:=inf_CAS:=inf_Cat:=inf_EXA:=inf_EXB:="-";
   mc:=temps:=cal_MW:=cal_MI:=cal_FM:=filter_s:="";
   file_input:=default_data_file;
   %------------------------------------------------------------------------------------------------
-  parts_cnt:=parts_usr_start; parts_int:=parts_int_start;
+  parts_num:=parts_usr_start; parts_int:=parts_int_start;
   %------------------------------------------------------------------------------------------------
   store_par(parameter_list);
   fig_num:=fig_num+1; f_ext:=cntM:=mc_row:=info_cnt:=f_EOF:=0;
@@ -242,9 +225,7 @@ def beginfigm(text s)=
       ef sT="t":  temps:=sV;
       ef sT="v":  pickup_data_unit(temps,sV,1);
       ef sT="v+": pickup_data_unit(temps,sV,0);
-      else: if known scantokens("inf_"&sT): scantokens("inf_"&sT):=sV; fi
-      fi
-    fi
+      else: if known scantokens("inf_"&sT): scantokens("inf_"&sT):=sV; fi fi fi
   endfor
   %------------------------------------------------------------------------------------------------
   mol_pic[0]:=nullpicture;
@@ -266,8 +247,7 @@ def endfigm=
             if ypart(posM[1][i])<nC: nC:=ypart(posM[1][i]); fi
             if ypart(posM[2][i])>nD: nD:=ypart(posM[2][i]); fi
           endfor
-          fig_wd:=nB-nA+2margin_lr; fig_ht:=nD-nC+2margin_tb;
-          fsize:=(fig_wd,fig_ht);
+          fig_wd:=nB-nA+2margin_lr; fig_ht:=nD-nC+2margin_tb; fsize:=(fig_wd,fig_ht);
           for i=1 upto cntM:
             posM[0][i]:=posM[0][i]+(margin_lr-nA,margin_tb-nC);
             posM[1][i]:=posM[1][i]+(margin_lr-nA,margin_tb-nC);
@@ -305,7 +285,7 @@ def endfigm=
     if scan_bit(sw_output,MOL2k):  proc_mol_out(1); fi
     if scan_bit(sw_output,MOL3k):  proc_mol_out(2); fi
     %-------------------------------------------------------------------------------------------
-    %%  message "* parts_cnt (0)="& decimal(parts_cnt) &" "& decimal(parts_usr-parts_usr_start);
+    %%  message "* parts_num (0)="& decimal(parts_num) &" "& decimal(parts_usr-parts_usr_start);
     %%  message "* parts_int (0)="& decimal(parts_int) &" "& decimal(parts_int-parts_int_start);
     %-------------------------------------------------------------------------------------------
   fi
@@ -315,10 +295,6 @@ def endfigm=
 enddef;
 %-------------------------------------------------------------------------------------------------
 def pickup_data_unit(expr t,v,f)=
-  begingroup
-  save unit_cnt,f_end,semic_cnt,f_match,var_n,tag_a,var_a,at_semic;
-  string tag_a[],var_a[];
-  numeric at_semic[];
   f_end:=unit_cnt:=semic_cnt:=f_match:=inf_num:=0;
   if t="n": var_n:=scantokens(v); fi
   forever:
@@ -332,8 +308,7 @@ def pickup_data_unit(expr t,v,f)=
           if sS=EOF: f_EOF:=1; fi exitif sS=EOF; exitif subc(1,sS)="+";
           if subc(1,sS)<>"%":
             fw_n:=scan_char(" ",sS,1,1); mc_row:=mc_row+1; mc_indent[mc_row]:=fw_n-1;
-            mc[mc_row]:=substring(fw_n-1,length(sS)) of sS; mc:=mc&mc[mc_row];
-          fi
+            mc[mc_row]:=substring(fw_n-1,length(sS)) of sS; mc:=mc&mc[mc_row]; fi
         endfor
         for i=1 upto inf_num:
           if known scantokens("inf_"&tag_a[i]): scantokens("inf_"&tag_a[i]):=var_a[i]; fi
@@ -349,8 +324,7 @@ def pickup_data_unit(expr t,v,f)=
       semic_cnt:=split_semic(sS); inf_num:=semic_cnt+1;
       for i=1 upto inf_num:
         if i<=semic_cnt: sI:=substring(at_semic[i-1],at_semic[i]-1) of sS;
-        else: sI:=substring(at_semic[semic_cnt],length(sS)) of sS;
-        fi
+        else: sI:=substring(at_semic[semic_cnt],length(sS)) of sS; fi
         nA:=scan_char(":",sI,0,1);
         tag_a[i]:=substring(0,nA-1) of sI; var_a[i]:=substring(nA,length(sI)) of sI;
         if t=tag_a[i]: if v=var_a[i]: f_match:=1; fi fi
@@ -359,7 +333,6 @@ def pickup_data_unit(expr t,v,f)=
     exitif f_end=1;
   endfor
   if f=1: closefrom file_input; fi
-  endgroup;
 enddef;
 %--------------------------------------------------------------------------------------------------
 vardef scan_bit(expr n,b)= if b>=1: odd(floor(n/b)) else: odd(floor((frac n)/b)) fi enddef;
@@ -368,14 +341,12 @@ vardef scan_char(expr c,s,d,n)=
   nN:=0;
   if d=0:  for i=n upto length(s):   if subc(i,s)=c:  nN:=i; fi exitif nN>0; endfor
   ef d=1:  for i=n upto length(s):   if subc(i,s)<>c: nN:=i; fi exitif nN>0; endfor
-  ef d=-1: for i=length(s) downto n: if subc(i,s)<>c: nN:=i; fi exitif nN>0; endfor
-  fi
-  nN
+  ef d=-1: for i=length(s) downto n: if subc(i,s)<>c: nN:=i; fi exitif nN>0; endfor fi nN
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-vardef '(text t)= parts_cnt:=parts_cnt+1; read_mcf(parts_cnt)(t); parts_cnt enddef;
-vardef read_id(text t)=read_mcf(incr parts_cnt)(|,#rate_cr,t,##,(_com,_rest)); parts_cnt enddef;
-vardef read_ud(text t)=read_mcf(incr parts_cnt)(dum,dum,|,t,(_com,_rest)); parts_cnt enddef;
+vardef '(text t)= parts_num:=parts_num+1; read_mcf(parts_num)(t); parts_num enddef;
+vardef read_id(text t)=read_mcf(incr parts_num)(|,#rate_cr,t,##,(_com,_rest)); parts_num enddef;
+vardef read_ud(text t)=read_mcf(incr parts_num)(dum,dum,|,t,(_com,_rest)); parts_num enddef;
 vardef abs_adress primary n = if n LT 0:: (n+360)-4095 else:: n-4095 fi enddef;
 primarydef a from_until b = (_from,a),(_until,b) enddef;
 tertiarydef a op_equ b = if (known a)and(known b):: change_bond(a,b) else:: _nop fi enddef; 
@@ -384,15 +355,14 @@ tertiarydef a op_hat b = if known b:: (_tmp_rot,b),a  else:: _nop,a fi enddef;
 tertiarydef a op_til b = if known b:: (_tmp_line,b),a else:: _nop,a fi enddef;
 tertiarydef a op_lt  b = if known b:: (_tmp_env,b),a  else:: _nop,a fi enddef;
 tertiarydef a op_bq  b = if known b:: (_tmp_len,b),a  else:: _nop,a fi enddef;
-def rot_angle primary n = (_rot_ang,n) enddef;
-def cyc_atom  primary n = (_cyc,n) enddef;
+def rot_angle primary n = (_rot_ang,n) enddef; def cyc_atom  primary n = (_cyc,n) enddef;
 def jump_atom_abs primary a =
   if numeric a:: (_jp_atom,$a) ef pair a:: (_jp_atom,$1),<$0,angle(a)~0`length(a),<$0 fi
 enddef;
 def jump_atom primary a =
   if numeric  a:: (_jp_atom,a) ef pair a:: <$0,angle(a)~0`length(a),<$0 fi
 enddef;
-def chg_length primary n     = (_com,_len_s),(_chg_len,n) enddef;
+def chg_length primary n = (_com,_len_s),(_chg_len,n) enddef;
 def group_si secondary n = if known n:: (_group_si,n) else:: _nop fi enddef;
 def group_dm secondary n = if known n:: (_group_dm,n) else:: _nop fi enddef;
 def group_wf secondary n = if known n:: (_group_wf,n) else:: _nop fi enddef;
@@ -407,39 +377,34 @@ def read_mcf(expr n)(text t)=
   save nCP;
   if unknown inside_MC::
     save /,//,/*,*/,**,*/*,~,^,',`,<,>,:,=,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,inside_MC;
-    pair |,||,##;
-    | :=(_com,_mark); || := (_com,_moff); ##:=(_com,_len_e);
-    _:=Me; \:=0; \\:=zero_dm; *\:=zero_wf; \*:=zero_zf; *\*:=zero_wv;
-    let = ==op_equ; let : == op_col; let ^ ==op_hat; let ~ ==op_til; let > ==op_lt; let ` ==op_bq;
-    def { == read_number( enddef; let } == ); 
-    def @$ == jump_atom_abs enddef; def ' == read_id enddef;
-    def < == rot_angle enddef;  def @ == jump_atom enddef;  def & == cyc_atom enddef;
-    def # == chg_length enddef; def $ == abs_adress enddef; def &$ == &.$ enddef;
-    def / == group_si enddef;   def // == group_dm enddef;  def */ == group_wf enddef;
-    def /* == group_zf enddef;  def */* == group_wv enddef; def ** == group_nb enddef;
+    | :=mark_adress; || :=reset_adress; ##:=reset_length; _:=Me;
+    \:=0; \\:=zero_dm; *\:=zero_wf; \*:=zero_zf; *\*:=zero_wv;
+    let = ==op_equ; let : ==op_col; let ^==op_hat; let ~==op_til; let > ==op_lt; let `==op_bq;
+    def $==abs_adress enddef; def &$==&.$ enddef; def '==read_id enddef; 
+    def {==read_number( enddef;
+    let }==); let @$==jump_atom_abs; let < ==rot_angle; let @==jump_atom; let &==cyc_atom;
+    let #==chg_length; let /==group_si; let //==group_dm; let */==group_wf; let /*==group_zf;
+    let */*==group_wv; let **==group_nb;
     inside_MC:=1;
   fi
   %----------------------------------------------------------------------------------------------
   nCP:=0;
   for list==t::
     if known list::
-      if pair list:: nCP:=nCP+1; comD[n][nCP]:=xpart(list); parD[n][nCP]:=ypart(list);
+      if pair list:: nCP:=nCP+1; parts_com[n][nCP]:=xpart(list); parts_par[n][nCP]:=ypart(list);
       ef numeric list::
         if list==_nop:: message "unknown command in "AND decimal(n);
         ef list>=parts_emb_start::
-          for i==1 upto cntD[list]::
-            nCP:=nCP+1; comD[n][nCP]:=comD[list][i]; parD[n][nCP]:=parD[list][i];
+          for i==1 upto parts_cnt[list]::
+            nCP:=nCP+1;
+            parts_com[n][nCP]:=parts_com[list][i]; parts_par[n][nCP]:=parts_par[list][i];
           endfor 
-        else:: nCP:=nCP+1; comD[n][nCP]:=_mk_bond; parD[n][nCP]:=list;
+        else:: nCP:=nCP+1; parts_com[n][nCP]:=_mk_bond; parts_par[n][nCP]:=list; fi
         fi
-      ef string list::
-        str_cnt:=str_cnt+1; strD[str_cnt]:=list;
-        nCP:=nCP+1; comD[n][nCP]:=_set_atom; parD[n][nCP]:=str_cnt;
-      fi
     else:: message "unknown command in "AND decimal(n);
     fi
   endfor
-  cntD[n]:=nCP;
+  parts_cnt[n]:=nCP;
   endgroup
 enddef;
 %-------------------------------------------------------------------------------------------------
@@ -451,21 +416,22 @@ vardef read_number(text t)=
     if known list::
       if numeric list::
         if list==_nop:: message "unknown command in "AND decimal(parts_int);
-        else:: nA:=nA+1; comD[parts_int][nA]:=_numeric; parD[parts_int][nA]:=list;
+        else:: nA:=nA+1; parts_com[parts_int][nA]:=_numeric; parts_par[parts_int][nA]:=list;
         fi
       ef pair list::
         if xpart(list)==_from:: nB:=ypart(list);
         ef xpart(list)==_until:: nC:=ypart(list);
            for i==nB upto nC::
-             nA:=nA+1; comD[parts_int][nA]:=_numeric; parD[parts_int][nA]:=i;
+             nA:=nA+1; parts_com[parts_int][nA]:=_numeric; parts_par[parts_int][nA]:=i;
            endfor
-        else:: nA:=nA+1; comD[parts_int][nA]:=xpart(list); parD[parts_int][nA]:=ypart(list);
+        else:: nA:=nA+1;
+               parts_com[parts_int][nA]:=xpart(list); parts_par[parts_int][nA]:=ypart(list);
         fi
       fi
     else:: message "unknown command in "AND decimal(parts_int);
     fi
   endfor
-  cntD[parts_int]:=nA; parts_int
+  parts_cnt[parts_int]:=nA; parts_int
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def fuse_ring(expr a,b) =
@@ -498,54 +464,54 @@ vardef change_bond(expr a,b) =
     if numeric b::
       if     (b>=si)and(b<=bd_)::
         if a>=parts_int_start::
-          for i==1 upto cntD[a]::
-            if comD[a][i]==_numeric::
-              if frac parD[a][i]==0:: com_par(_set_adr,parD[a][i]) com_par(_set_line,b)
-              ef b==dl:: com_par(_set_adr,floor parD[a][i]) com_par(_set_line,dr)
-              ef b==dr:: com_par(_set_adr,floor parD[a][i]) com_par(_set_line,dl)
-              else::     com_par(_set_adr,floor parD[a][i]) com_par(_set_line,b)
-              fi
-            fi
+          for i==1 upto parts_cnt[a]::
+            if parts_com[a][i]==_numeric::
+              if frac parts_par[a][i]==0:: com_par(_set_adr,parts_par[a][i]) com_par(_set_line,b)
+              ef b==dl:: com_par(_set_adr,floor parts_par[a][i]) com_par(_set_line,dr)
+              ef b==dr:: com_par(_set_adr,floor parts_par[a][i]) com_par(_set_line,dl)
+              else::     com_par(_set_adr,floor parts_par[a][i]) com_par(_set_line,b) fi fi
           endfor
         else:: com_par(_set_adr,a) com_par(_set_line,b)
         fi
       elseif (b>=?3)and(b<=?8[15])::
         if numeric a::
           if a>=parts_int_start::
-            for i==1 upto cntD[a]::
-              if comD[a][i]==_numeric::
-                if b==Ph1:: fuse_ring(parD[a][i],6)
+            for i==1 upto parts_cnt[a]::
+              if parts_com[a][i]==_numeric::
+                if b==Ph1:: fuse_ring(parts_par[a][i],6)
                     CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl)
-                ef b==Ph2:: fuse_ring(parD[a][i],6)
+                ef b==Ph2:: fuse_ring(parts_par[a][i],6)
                     CP(_set_adr,-1) CP(_set_line,dl) CP(_set_adr,-3) CP(_set_line,dl)
                     CP(_set_adr,-5) CP(_set_line,dl)
                 ef (b>=?5[11])and(b<=?5[15]):: fuse_ring_size(a,5,b-?5[11]+11)
                 ef (b>=?6[11])and(b<=?6[15]):: fuse_ring_size(a,6,b-?6[11]+11)
                 ef (b>=?7[11])and(b<=?7[15]):: fuse_ring_size(a,7,b-?7[11]+11)
                 ef (b>=?8[11])and(b<=?8[15]):: fuse_ring_size(a,8,b-?8[11]+11)
-                else:: fuse_ring(parD[a][i],b-?3+3)
-                fi
+                else:: fuse_ring(parts_par[a][i],b-?3+3) fi
               else::
                 if b==?6:: 
-                  if (frac comD[a][i]==0)and(frac parD[a][i]==0)::
-                    fuse_ring_bonds((comD[a][i],parD[a][i]),6,4)
-                  ef frac comD[a][i]==0:: fuse_ring_bonds((comD[a][i],floor parD[a][i]),6,3)
-                  ef frac parD[a][i]==0:: fuse_ring_bonds((floor comD[a][i],parD[a][i]),6,3)
-                  else::                  fuse_ring_bonds((floor comD[a][i],floor parD[a][i]),6,2)
-                  fi
+                  if (frac parts_com[a][i]==0)and(frac parts_par[a][i]==0)::
+                    fuse_ring_bonds((parts_com[a][i],parts_par[a][i]),6,4)
+                  ef frac parts_com[a][i]==0::
+                    fuse_ring_bonds((parts_com[a][i],floor parts_par[a][i]),6,3)
+                  ef frac parts_par[a][i]==0::
+                     fuse_ring_bonds((floor parts_com[a][i],parts_par[a][i]),6,3)
+                  else:: fuse_ring_bonds((floor parts_com[a][i],floor parts_par[a][i]),6,2) fi
                 ef b==?5::
-                  if (frac comD[a][i]==0)and(frac parD[a][i]==0)::
-                                          fuse_ring_bonds((comD[a][i],parD[a][i]),5,3)
-                  ef frac comD[a][i]==0:: fuse_ring_bonds((comD[a][i],floor parD[a][i]),5,2)
-                  ef frac parD[a][i]==0:: fuse_ring_bonds((floor comD[a][i],floor parD[a][i]),5,2)
+                  if (frac parts_com[a][i]==0)and(frac parts_par[a][i]==0)::
+                    fuse_ring_bonds((parts_com[a][i],parts_par[a][i]),5,3)
+                  ef frac parts_com[a][i]==0::
+                    fuse_ring_bonds((parts_com[a][i],floor parts_par[a][i]),5,2)
+                  ef frac parts_par[a][i]==0::
+                    fuse_ring_bonds((floor parts_com[a][i],floor parts_par[a][i]),5,2)
                   fi
-                ef b==?4::    fuse_ring_bonds((comD[a][i],parD[a][i]),4,2)
-                ef b==?6[3]:: fuse_ring_bonds((comD[a][i],parD[a][i]),6,3)
-                ef b==?6[2]:: fuse_ring_bonds((comD[a][i],parD[a][i]),6,2)
-                ef b==?5[2]:: fuse_ring_bonds((comD[a][i],parD[a][i]),5,2)
-                ef b==Ph1::   fuse_ring_bonds((comD[a][i],parD[a][i]),6,4)
+                ef b==?4::    fuse_ring_bonds((parts_com[a][i],parts_par[a][i]),4,2)
+                ef b==?6[3]:: fuse_ring_bonds((parts_com[a][i],parts_par[a][i]),6,3)
+                ef b==?6[2]:: fuse_ring_bonds((parts_com[a][i],parts_par[a][i]),6,2)
+                ef b==?5[2]:: fuse_ring_bonds((parts_com[a][i],parts_par[a][i]),5,2)
+                ef b==Ph1::   fuse_ring_bonds((parts_com[a][i],parts_par[a][i]),6,4)
                                 CP(_set_adr,-1) CP(_set_line,dl) CP(_set_adr,-3) CP(_set_line,dl)
-                ef b==Ph2::   fuse_ring_bonds((comD[a][i],parD[a][i]),6,4)
+                ef b==Ph2::   fuse_ring_bonds((parts_com[a][i],parts_par[a][i]),6,4)
                                 CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl)
                 fi
               fi
@@ -559,9 +525,7 @@ vardef change_bond(expr a,b) =
             ef (b>=?6[11])and(b<=?6[15]):: fuse_ring_size(a,6,b-?6[11]+11)
             ef (b>=?7[11])and(b<=?7[15]):: fuse_ring_size(a,7,b-?7[11]+11)
             ef (b>=?8[11])and(b<=?8[15]):: fuse_ring_size(a,8,b-?8[11]+11)
-            else:: fuse_ring(a,b-?3+3)
-            fi
-          fi
+            else:: fuse_ring(a,b-?3+3) fi fi
         ef pair a::
           if b==?6::    fuse_ring_bonds(a,6,4)
           ef b==?5::    fuse_ring_bonds(a,5,3)
@@ -572,13 +536,11 @@ vardef change_bond(expr a,b) =
           ef b==Ph1::   fuse_ring_bonds(a,6,4)
                           CP(_set_adr,-1) CP(_set_line,dl) CP(_set_adr,-3) CP(_set_line,dl)
           ef b==Ph2::   fuse_ring_bonds(a,6,4)
-                          CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl)
-          fi
+                          CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl) fi
         fi
       fi
-    elseif color b:: color_list[incr cntC]:=b; CPe(a)(_set_colorB,cntC)
-    fi
-    cntD[parts_int]:=nC; parts_int
+    elseif color b:: color_list[incr cntC]:=b; CPe(a)(_set_colorB,cntC) fi
+    parts_cnt[parts_int]:=nC; parts_int
   fi
 enddef;
 %-------------------------------------------------------------------------------------------------
@@ -601,33 +563,33 @@ vardef change_atom(expr a,b)=
     ef pair b::
       CP(_com,_group_s)
       if a>=parts_emb_start::
-        for i==1 upto cntD[a]::
-          if comD[a][i]==_numeric::
+        for i==1 upto parts_cnt[a]::
+          if parts_com[a][i]==_numeric::
             if xpart(b)==_group_wf::
-              if frac parD[a][i]==0:: CP(_set_adr,parD[a][i]) CP(_group_wf,ypart(b))
-              else:: CP(_set_adr,floor parD[a][i]) CP(_group_zf,ypart(b)) fi
+              if frac parts_par[a][i]==0:: CP(_set_adr,parts_par[a][i]) CP(_group_wf,ypart(b))
+              else:: CP(_set_adr,floor parts_par[a][i]) CP(_group_zf,ypart(b)) fi
             ef xpart(b)==_group_zf::
-              if frac parD[a][i]==0:: CP(_set_adr,parD[a][i]) CP(_group_zf,ypart(b))
-              else:: CP(_set_adr,floor parD[a][i]) CP(_group_wf,ypart(b)) fi
-            else:: CP(_set_adr,parD[a][i]) CP(xpart(b),ypart(b)) fi
-          else:: CP(comD[a][i],parD[a][i]) fi
+              if frac parts_par[a][i]==0:: CP(_set_adr,parts_par[a][i]) CP(_group_zf,ypart(b))
+              else:: CP(_set_adr,floor parts_par[a][i]) CP(_group_wf,ypart(b)) fi
+            else:: CP(_set_adr,parts_par[a][i]) CP(xpart(b),ypart(b)) fi
+          else:: CP(parts_com[a][i],parts_par[a][i]) fi
         endfor
       else:: CP(_set_adr,a) CP(xpart(b),ypart(b))
       fi
       CP(_com,_group_e)
     ef color b::  color_list[incr cntC]:=b; CPe(a)(_set_colorA,cntC)
     fi
-    cntD[parts_int]:=nC; parts_int
+    parts_cnt[parts_int]:=nC; parts_int
   fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-def com_par(expr a,b)= nC:=nC+1; comD[parts_int][nC]:=a; parD[parts_int][nC]:=b; enddef;
+def com_par(expr a,b)= nC:=nC+1; parts_com[parts_int][nC]:=a; parts_par[parts_int][nC]:=b; enddef;
 %-------------------------------------------------------------------------------------------------
 def com_par_ex(expr f)(expr c)(expr a,b)=
   if c>=parts_emb_start::
-    for i==1 upto cntD[c]::
-      if comD[c][i]==_numeric:: com_par(_set_adr,parD[c][i]) com_par(a,b)
-      ef f==1:: com_par(comD[c][i],parD[c][i]) fi
+    for i==1 upto parts_cnt[c]::
+      if parts_com[c][i]==_numeric:: com_par(_set_adr,parts_par[c][i]) com_par(a,b)
+      ef f==1:: com_par(parts_com[c][i],parts_par[c][i]) fi
     endfor
   else:: com_par(_set_adr,c) com_par(a,b)
   fi
@@ -691,22 +653,27 @@ vardef lone_pair_add expr n=
   image(draw (0,0) wpcs lonepairdiam; draw ((0,lonepairspace) rotated n) wpcs lonepairdiam;)
 enddef;
 %=================================================================================================
-def MCat(expr w,h)(text t)= mpos:=mposition; mposition:=(w,h); MC(t) mposition:=mpos; enddef;
+def MCat(expr w,h)(text t)=
+  save_mposition:=mposition; mposition:=(w,h); MC(t) mposition:=save_mposition;
+enddef;
 %-------------------------------------------------------------------------------------------------
 def MC(text t)=
   begingroup
-  save f_bra,strAT,temp_lenE,temp_lenF,temp_cntB,f_term,f_at,f_lineT,f_rotT,angL,lenL,cpos,tpos,
-       f_lenT,f_envT,factor,m_wd,m_ht,raise_pos,slen,sdir,char_wd,char_ht,tcol,f_col,knownA,
+  save f_bra,temp_strA,temp_lenE,temp_lenF,temp_cntB,f_term,f_at,f_lineT,f_rotT,angL,lenL,cpos,
+       tpos,f_lenT,f_envT,factor,m_wd,m_ht,raise_pos,slen,sdir,char_wd,char_ht,tcol,f_col,knownA,
        markA,markB,saveA,saveB,bondL,lenT,lineT,angT,rotT,envT,envB,rate_cr,posBs,posBe,
-       f_char,group_par,group_cnt,group_com,colorA,colorB;
-  numeric f_char[],group_com[][],group_par[][],group_cnt[],colorA[],colorB[];
-  pair cpos,tpos,raise_pos,posBs,posBe;
-  path frameA[];
+       group_par,group_cnt,group_com,colorA,colorB,aW,aH,fW,fH,hW,hW,hH,qH,fP,hP,
+       ww,aw,ap,am,Ls,Le,pA,zA,zL,cC,cH,cO,cN,cS,cF,cP;
+  numeric group_com[][],group_par[][],group_cnt[],colorA[],colorB[];
+  string cC,cH,cO,cN,cS,cF,cP;
+  pair cpos,tpos,raise_pos,posBs,posBe,pA,Ls,Le;
+  path frameA[],zA,zL;
   %-----------------------------------------------------------------------------------------------
   if (sw_expand=1)or(scan_bit(sw_output,MOL2k))or(scan_bit(sw_output,MOL3k)):
     expand_set; rate_cr:=1; else: rate_cr:=-ratio_chain_ring;
   fi
-  cntA:=cntB:=cntC:=group_num:=0; strD[0]:=cC; str_cnt:=2000;
+  cC:="C"; cH:="H"; cO:="O"; cN:="N"; cS:="S"; cF:="F"; cP:="P";
+  cntA:=cntB:=cntC:=group_num:=0; str_tbl[0]:=cC; str_cnt:=2000;
   %-----------------------------------------------------------------------------------------------
   fig_wd:=xpart(fsize); fig_ht:=ypart(fsize);
   margin_lr:=xpart(fmargin); margin_tb:=ypart(fmargin);
@@ -714,7 +681,6 @@ def MC(text t)=
   read_mcf(0)(t,(_com,_term));
   proc_bond_atom(0)(1);
   if (group_num>0)and(not scan_bit(sw_abbreviate,Group)): read_group(0)(1); fi
-  char_use_check;
   %-scaling---------------------------------------------------------------------------------------
   if     blength>1: blen:=blength;        proc_size_setup; proc_skeleton(0); proc_scaling;
   elseif blength>0: blen:=fig_wd*blength; proc_size_setup; proc_skeleton(0); proc_scaling;
@@ -749,13 +715,13 @@ def MC(text t)=
   %===============================================================================================
   if scan_bit(sw_output,Fig):
     %-draw atom-----------------------------------------------------------------------------------
-    if sw_numbering=0: for i=1 upto cntA: if numS[i]<>0: draw_atom(i); fi endfor fi
+    if sw_numbering=0: for i=1 upto cntA: if strA[i]<>0: draw_atom(i); fi endfor fi
     %-draw add to atom----------------------------------------------------------------------------
     if (not scan_bit(sw_numbering,Atom))and(not scan_bit(sw_numbering,Bond)):
       for i=1 upto cntA:
         if addA[i]<>0:
-          nA:=angX[i]+add_rot[i]; nC:=nA mod 90;
-          if numS[i]=0: nB:=.5atom_wd; else: nB:=atom_wd; fi
+          nA:=angX[i]+add_rot[i]; nC:=nA mod 90; 
+          if strA[i]=0: nB:=.5atom_wd; else: nB:=atom_wd; fi
           draw_char(char(addA[i]),sfrt(posA[i],nB,nA));
         fi
       endfor
@@ -816,7 +782,7 @@ def add_group=
   if envT<>hz:  store_group(_chg_env,envT) fi
   if lineT=nl:  store_group(_chg_len,_size_atom) store_group(_adj_ang,0) fi
   if lineT<>nb: store_group(_mk_bond,0) fi
-  for i=1 upto cntD[nP]: store_group(comD[nP][i],parD[nP][i]) endfor 
+  for i=1 upto parts_cnt[nP]: store_group(parts_com[nP][i],parts_par[nP][i]) endfor 
   store_group(_com,_len_e) store_group(_chg_env,hz) store_group(_com,_term)
   if f_lineT=0: lineT:=si; fi
   if f_lenT=0:  lenT:=rate_cr; fi 
@@ -830,10 +796,11 @@ def store_group(expr a,b)=
 enddef;
 %=================================================================================================
 def read_group(expr a)(expr n)=
-  save_group_cnt:=group_num; save_cntD:=cntD[a];
+  save_group_cnt:=group_num; save_cntD:=parts_cnt[a];
   for i=n upto group_num:
     for j=1 upto group_cnt[i]:
-      cntD[a]:=cntD[a]+1; comD[a][cntD[a]]:=group_com[i][j]; parD[a][cntD[a]]:=group_par[i][j];
+      parts_cnt[a]:=parts_cnt[a]+1;
+      parts_com[a][parts_cnt[a]]:=group_com[i][j]; parts_par[a][parts_cnt[a]]:=group_par[i][j];
     endfor
   endfor
   proc_bond_atom(a)(save_cntD+1);
@@ -861,10 +828,10 @@ def proc_scaling=
   minX:=minY:=4095; maxX:=maxY:=-4095;
   for i=1 upto cntA:
     nX:=xpart(posA[i]); nY:=ypart(posA[i]);
-    if numS[i]<>0:
+    if strA[i]<>0:
       nU:=nD:=nP:=nL:=nR:=0;
-      for j=1 upto length(strD[numS[i]]):
-        tempc:=subc(j,strD[numS[i]]);
+      for j=1 upto length(str_tbl[strA[i]]):
+        tempc:=subc(j,str_tbl[strA[i]]);
         if tempc="^": nU:=.5atom_wd;
         ef tempc="_": nD:=.5atom_wd;
         ef (tempc<>"{")and(tempc<>"}"): nP:=nP+atom_wd*tbl_char_wd[ASCII(tempc)];
@@ -881,25 +848,13 @@ def proc_scaling=
   endfor
   mol_wd:=maxX-minX; mol_ht:=maxY-minY;
 enddef;
-%-------------------------------------------------------------------------------------------------
-def char_use_check=
-  for i=1 upto 128: f_char[i]:=0; endfor
-  if sw_numbering>=1: for j=a_zero upto a_nine: f_char[j]:=1; endfor
-  else:
-    for i=1 upto cntA:
-      if numS[i]<>0:
-        for j=1 upto length(strD[numS[i]]): f_char[ASCII(subc(j,strD[numS[i]]))]:=1; endfor
-      fi
-    endfor
-  fi
-enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def proc_bond_atom(expr a)(expr n)=
-  f_bra:=f_term:=rotT:=f_lineT:=f_rotT:=f_lenT:=f_envT:=envT:=envB:=strAT:=f_at:=0;
+  f_bra:=f_term:=rotT:=f_lineT:=f_rotT:=f_lenT:=f_envT:=envT:=envB:=temp_strA:=f_at:=0;
   bondL:=rate_cr; lenT:=rate_cr; sB[0]:=0; eB[0]:=1; lineT:=si;
   addAT:=markA:=markB:=saveA:=saveB:=0;
   %-----------------------------------------------------------------------------------------------
-  for i=n upto cntD[a]: nC:=comD[a][i]; nP:=parD[a][i];
+  for i=n upto parts_cnt[a]: nC:=parts_com[a][i]; nP:=parts_par[a][i];
   if nC=_mk_bond: if (nP=0)and(rotT<>0): rotT:=0; fi add_atom(0);
   ef nC=_set_adr: adrT:=nP;
   ef nC=_com: if nP=_mark: saveA:=markA; saveB:=markB; markA:=cntA; markB:=cntB;
@@ -911,9 +866,8 @@ def proc_bond_atom(expr a)(expr n)=
               ef nP=_group_s: f_at:=1; if lineT<>si: f_lineT:=1; fi if rotT<>0: f_rotT:=1; fi
                               if lenT<>rate_cr: f_lenT:=1;  fi if envT<>hz: f_envT:=1; fi
               ef nP=_group_e: f_at:=0; f_lineT:=f_rotT:=f_lenT:=f_envT:=rotT:=envT:=0;
-                              lineT:=si; lenT:=rate_cr;
-              fi
-  ef nC=_set_atom: strAT:=nP;
+                              lineT:=si; lenT:=rate_cr; fi
+  ef nC=_set_atom: temp_strA:=nP;
   ef nC=_group_si: add_group;
   ef nC=_group_dm: lineT:=dm; add_group;
   ef nC=_group_wf: lineT:=wf; add_group;
@@ -921,7 +875,7 @@ def proc_bond_atom(expr a)(expr n)=
   ef nC=_jp_bond:  termA; nA:=getB(nP); check_adrB(nA); sB[cntB+1]:=sB[nA]; f_bra:=1;
   ef nC=_jp_atom:  termA; nA:=getA(nP); check_adrA(nA); sB[cntB+1]:=nA; f_bra:=1;
   ef nC=_jp_absA:  sB[cntB+1]:=nP; f_bra:=1; temp_cntB:=cntB;
-  ef nC=_chg_atom: numS[getA(adrT)]:=parD[nP][1];
+  ef nC=_chg_atom: strA[getA(adrT)]:=parts_par[nP][1];
   ef nC=_chg_len:  if nP=_ring_len: bondL:=ringL; else: bondL:=nP; fi
   ef nC=_get_len:  if nP=_tmp_len: if bondL=rate_cr: bondL:=lenT; fi
                    ef nP=_ring_len: 
@@ -948,8 +902,8 @@ enddef;
 def add_atom(expr n)=
   cntB:=cntB+1; lineB[cntB]:=lineT; lineT:=si;
   if lenT=rate_cr: lenB[cntB]:=bondL; else: lenB[cntB]:=lenT; lenT:=rate_cr; fi
-  if f_bra=0:  cntA:=cntA+1; sB[cntB]:=cntA; numS[cntA]:=strAT;
-               addA[cntA]:=addAT; addAT:=strAT:=add_rot[cntA]:=0;
+  if f_bra=0:  cntA:=cntA+1; sB[cntB]:=cntA; strA[cntA]:=temp_strA;
+               addA[cntA]:=addAT; addAT:=temp_strA:=add_rot[cntA]:=0;
                if rotT<>0: add_rot[cntA]:=rotT; rotT:=0; fi
   else: f_bra:=0; fi
   if n=0: eB[cntB]:=cntA+1; f_term:=0; else: eB[cntB]:=n; f_term:=1; fi
@@ -965,13 +919,12 @@ def proc_skeleton(expr n)=
   envT:=envB:=f_lineT:=f_rotT:=f_lenT:=f_envT:=0; lineT:=si; angT:=mangle;
   angA[0]:=angB[0]:=angX[0]:=0; posA[0]:=posBs:=posBe:=(0,0);
   %-----------------------------------------------------------------------------------------------
-  for i=1 upto cntD[n]: nC:=comD[n][i]; nP:=parD[n][i];
+  for i=1 upto parts_cnt[n]: nC:=parts_com[n][i]; nP:=parts_par[n][i];
   if nC=_mk_bond: if (nP=0)and(rotT<>0):nP:=rotT; rotT:=0; fi add_bond(nP,1);
   ef nC=_com: if nP=_mark: saveA:=markA; saveB:=markB; markA:=cntA; markB:=cntB;
               ef nP=_rest: markA:=saveA; markB:=saveB;
               ef nP=_moff: markA:=markB:=0; ef nP=_term: termB;
-              ef nP=_group_e: lineT:=si; lenT:=rate_cr; rotT:=envT:=0;
-              fi
+              ef nP=_group_e: lineT:=si; lenT:=rate_cr; rotT:=envT:=0; fi
   ef nC=_jp_bond: termB; nA:=getB(nP); posBs:=posA[sB[nA]]; angT:=angB[nA]; f_bra:=1; rotT:=0;
   ef nC=_jp_atom: termB; adrT:=getA(nP); posBs:=posA[adrT]; angT:=angX[adrT]; f_bra:=1; rotT:=0;
   ef nC=_jp_absA: adrT:=nP; posBs:=posA[adrT]; angT:=angX[adrT];
@@ -996,31 +949,25 @@ def add_bond(expr n,f)=
   if f_bra=0:
     adrT:=cntA:=cntA+1; posA[cntA]:=posBs; angA[cntA]:=angT;
     angX[cntA]:=(angT+nA/2+iif(nA>=0,-90,90)) mod 360;
-  else: f_bra:=0;
-  fi
+  else: f_bra:=0; fi
   cntB:=cntB+1;
   if nA>-3700: angB[cntB]:=angT:=(angT+nA) mod 360; else: angB[cntB]:=angT:=nA+4095; fi
   if f=1:
     if lenB[cntB]=_size_atom: posBe:=sfrt(posBs,atom_wd,angT);
     else:
       nA:=lenB[cntB]; if nA<0: nB:=glu_atom(adrT)+glu_atom(cntA+1); nA:=abs(nA); else: nB:=0; fi
-      posBe:=sfrt(posBs,nA*blen+nB,angT);
-    fi
+      posBe:=sfrt(posBs,nA*blen+nB,angT); fi
     posA[cntA+1]:=posBe; f_term:=0;
-  else: f_term:=1;
-  fi
+  else: f_term:=1; fi
   posBs:=posBe;
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef arrange_ang(expr n)=
   if cntB=0: angT:=(angT-180) mod 360; 180
-  else:
-    if    envB>=parts_emb_start: parD[envB][cntB-temp_cntB+3]
-    else: if envB=hz: if n=0:  60 ef n<=90: -60 ef n<=180:  60 ef n<270: -60 else:  60 fi
-          ef envB=vt: if n=0: -60 ef n<90:   60 ef n<=180: -60 ef n<=270: 60 else: -60 fi
-          ef abs(envB)<=180: envB fi
-    fi
-  fi
+  else:  if    envB>=parts_emb_start: parts_par[envB][cntB-temp_cntB+3]
+         else: if envB=hz: if n=0:  60 ef n<=90: -60 ef n<=180:  60 ef n<270: -60 else:  60 fi
+               ef envB=vt: if n=0: -60 ef n<90:   60 ef n<=180: -60 ef n<=270: 60 else: -60 fi
+               ef abs(envB)<=180: envB fi fi fi
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef adjust_ang(expr n)= if (n<40)or(n>320): 0 ef n<140: 90 ef n<220: 180 else: 270 fi enddef;
@@ -1031,12 +978,10 @@ vardef getB(expr n)= if n>=0: markB+n ef n>=-999: cntB+n+1 else: n+4095 fi endde
 def termA=
   if f_term=0:
     if f_bra=0:
-      cntA:=cntA+1; numS[cntA]:=strAT; addA[cntA]:=addAT; add_rot[cntA]:=rotT; 
-      addAT:=strAT:=rotT:=0;
-    else: f_bra:=0;
-    fi
-    f_term:=1;
-  fi
+      cntA:=cntA+1; strA[cntA]:=temp_strA; addA[cntA]:=addAT; add_rot[cntA]:=rotT; 
+      addAT:=temp_strA:=rotT:=0;
+    else: f_bra:=0; fi
+    f_term:=1; fi
 enddef;
 %-------------------------------------------------------------------------------------------------
 def termB=
@@ -1044,58 +989,46 @@ def termB=
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef glu_atom(expr n)=
- if numS[n]<>0: nE:=angT mod 90; nF:=0.5atom_wd; (iif(nE<45,sind nE,cosd nE)*nF)++nF else: 0 fi
+ if strA[n]<>0: nE:=angT mod 90; nF:=0.5atom_wd; (iif(nE<45,sind nE,cosd nE)*nF)++nF else: 0 fi
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_atom(expr n)=
   if atomfont<>"draw": defaultfont:=atomfont; defaultsize:=atom_wd; fi
-  temps:=strD[numS[n]]; slen:=length(temps); nC:=nS:=0; raise_pos:=(0,0); tpos:=posA[n];
+  temps:=str_tbl[strA[n]]; slen:=length(temps); nC:=nS:=0; raise_pos:=(0,0); tpos:=posA[n];
   if (angX[n]<=90)or(angX[n]>=270): sdir:=1; else: sdir:=-1; fi
   for i=1 upto slen:
     if nC=0:
       tempc:=subc(i,temps);
       if (sdir=-1)and(tempc="{"):
-        nD:=i; nC:=0; for j=nD upto slen: nC:=nC+1; exitif subc(j,temps)="}"; endfor
-      fi
-    else: nC:=nC-1; tempc:=subc(nD+nC,temps);
-    fi
+        nD:=i; nC:=0; for j=nD upto slen: nC:=nC+1; exitif subc(j,temps)="}"; endfor fi
+    else: nC:=nC-1; tempc:=subc(nD+nC,temps); fi
     if tempc="_": raise_pos:=iif(raise_pos=(0,0),(0,-.5atom_wd),(0,0));
     ef tempc="^": raise_pos:=iif(raise_pos=(0,0),(0, .5atom_wd),(0,0));
     ef (tempc<>"{")and(tempc<>"}"):
-      nS:=nS+1;
-      char_wd:=atom_wd*tbl_char_wd[ASCII(tempc)]; char_ht:=atom_wd;
+      nS:=nS+1; char_wd:=atom_wd*tbl_char_wd[ASCII(tempc)]; char_ht:=atom_wd;
       if nS=1: if (sdir=-1)and(char_wd<atom_wd): tpos:=tpos+((atom_wd-char_wd)/2,0); fi 
-      else:    tpos:=tpos+(.5char_wd*sdir,0);
-      fi
+      else:    tpos:=tpos+(.5char_wd*sdir,0); fi
       tcol:=colorA[n]; f_col:=0;
       if known tcol: if tcol<>0: drawoptions(withcolor color_list[tcol]); f_col:=1; fi fi
       if atomfont="draw": draw_char(tempc,tpos+raise_pos); else: label(tempc,tpos+raise_pos); fi
       if f_col=1: drawoptions(); fi
-      tpos:=tpos+(.5char_wd*sdir,0);
-    fi
+      tpos:=tpos+(.5char_wd*sdir,0); fi
   endfor
   nA:=0.56atom_wd; nB:=0.06atom_wd;
   if sdir=1: frameA[n]:=posA[n]-(nA,nA)--tpos+(nB,-nA)--tpos+(nB,nA)--posA[n]+(-nA,nA)--cycle;
-  else:      frameA[n]:=tpos-(nB,nA)--posA[n]+(nA,-nA)--posA[n]+(nA,nA)--tpos+(-nB,nA)--cycle;
-  fi
+  else:      frameA[n]:=tpos-(nB,nA)--posA[n]+(nA,-nA)--posA[n]+(nA,nA)--tpos+(-nB,nA)--cycle; fi
   if scan_bit(sw_frame,Atom): draw frameA[n] wpcs thickness_frame; fi
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_bond(expr n)=
-  begingroup
-  save ww,aw,ap,am,Ls,Le,pA,zA,zL;
-  pair pA,Ls,Le;
-  path zA,zL;
-  %-----------------------------------------------------------------------------------------------
   nL:=lineB[n]; angL:=angB[n]; nS:=sB[n]; nE:=eB[n]; f_col:=0;
   tcol:=colorB[n]; zL:=posA[nS]--posA[nE]; ww:=wedge_wd; ap:=angL+90; am:=angL-90; aw:=atom_wd;
   %-----------------------------------------------------------------------------------------------
-  if (numS[nS]=0)and(numS[nE]=0)or(sw_numbering>=1):
+  if (strA[nS]=0)and(strA[nE]=0)or(sw_numbering>=1):
                  Ls:=posA[nS];          Le:=posA[nE];          pA:=(.1,.9);
-  ef numS[nS]=0: Ls:=posA[nS];          Le:=zL ISP frameA[nE]; pA:=(.15,1);
-  ef numS[nE]=0: Ls:=zL ISP frameA[nS]; Le:=posA[nE];          pA:=(0,.85);
-  else:          Ls:=zL ISP frameA[nS]; Le:=zL ISP frameA[nE]; pA:=(0,1);
-  fi
+  ef strA[nS]=0: Ls:=posA[nS];          Le:=zL ISP frameA[nE]; pA:=(.15,1);
+  ef strA[nE]=0: Ls:=zL ISP frameA[nS]; Le:=posA[nE];          pA:=(0,.85);
+  else:          Ls:=zL ISP frameA[nS]; Le:=zL ISP frameA[nE]; pA:=(0,1); fi
   zA:=Ls--Le; lenL:=length(Le-Ls);
   %-----------------------------------------------------------------------------------------------
   if known tcol: if tcol<>0: drawoptions(withcolor color_list[tcol]); f_col:=1;fi fi
@@ -1150,16 +1083,15 @@ def draw_bond(expr n)=
   %-- bond type for glycan ----------------------------------------------------------------------
   ef nL=arc_lb:  draw Ls--Ls-(0,aw)..posA[nE]+(-1.2aw,0)..posA[nE]-(.6aw,0);
   ef nL=arc_br:  draw posA[nS]+(.6aw,0)..posA[nS]+(1.2aw,0)..Le-(0,aw)--Le;
-  ef nL=arc_lbr: draw posA[nS]+(0,iif(numS[nS]=0,0,-.6aw))--posA[nS]+(0,-.8aw)
+  ef nL=arc_lbr: draw posA[nS]+(0,iif(strA[nS]=0,0,-.6aw))--posA[nS]+(0,-.8aw)
                       ..0.5[posA[nS],posA[nE]]+(0,-1.7aw)..posA[nE]+(0,-.8aw)
-                      --posA[nE]+(0,iif(numS[nE]=0,0,-.6aw));
-  ef nL=arc_ltr: draw posA[nS]+(0,iif(numS[nS]=0,0,0.6aw))--posA[nS]+(0,.8aw)
+                      --posA[nE]+(0,iif(strA[nE]=0,0,-.6aw));
+  ef nL=arc_ltr: draw posA[nS]+(0,iif(strA[nS]=0,0,0.6aw))--posA[nS]+(0,.8aw)
                       ..0.5[posA[nS],posA[nE]]+(0,1.7aw)..posA[nE]+(0,.8aw)
-                      --posA[nE]+(0,iif(numS[nE]=0,0,.6aw));
+                      --posA[nE]+(0,iif(strA[nE]=0,0,.6aw));
   %----------------------------------------------------------------------------------------------
   fi
   if f_col=1: drawoptions(); fi
-  endgroup
 enddef;
 %------------------------------------------------------------------------------------------------
 def wz_put(expr a,b,c)=
@@ -1214,9 +1146,6 @@ def circ_Oh = (hP,qH)..Z_x..(fW,qH)..Z_y..cycle enddef;
 def circ_Oa = (hP,0.35aH)..Z_x..(fW,0.35aH)..(hW,.7aH)..cycle enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_char(expr s,p)=
-begingroup
-save aW,aH,fW,fH,hW,hW,hH,qH,fP,hP;
-%-------------------------------------------------------------------------------------------------
 aW:=atom_wd*tbl_char_wd[ASCII(s)]*(1-2ratio_atomgap_atom);
 aH:=atom_wd*tbl_char_ht[ASCII(s)]*(1-2ratio_atomgap_atom);
 cpos:=p-(aW/2,atom_wd/2*(1-2ratio_atomgap_atom));
@@ -1294,13 +1223,11 @@ ef s="-": dwh Z_m--Z_o;
 ef s="+": dwv Z_x--Z_s; dwh Z_m--Z_o;
 else:
 fi
-endgroup
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def warning_bond(expr a)=
   if addA[a]=0:
-    warning("A"&decimal(a)&" ( "&fsl(8)(strD[numS[a]])&") has"&fdr(2)(bond_cntA)&" bonds");
-  fi
+    warning("A"&decimal(a)&" ( "&fsl(8)(str_tbl[strA[a]])&") has"&fdr(2)(bond_cntA)&" bonds"); fi
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef erase_brace(expr s)=
@@ -1309,10 +1236,8 @@ vardef erase_brace(expr s)=
     for i=1 upto length(s):
       sC:=subc(i,s);
       if (sC<>"{")and(sC<>"}")and(sC<>"_")and(sC<>"^")and(sC<>"+")and(sC<>"-"): sS:=sS&sC; fi
-    endfor
-    sS
-  else: s
-  fi
+    endfor sS
+  else: s fi
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef erase_space(expr t)=
@@ -1325,7 +1250,7 @@ def proc_calc(expr n)=
   for i=1 upto tbl_atom_end: sumA[i]:=0; endfor
   for i=1 upto cntA:
     knownA:=bond_cntA:=0;
-    nS:=numS[i];
+    nS:=strA[i];
     for j=1 upto cntB:
       bond_num[j]:=bond_type(lineB[j]);
       if (sB[j]=i)or(eB[j]=i): bond_cntA:=bond_cntA+bond_num[j]; fi
@@ -1350,19 +1275,17 @@ def proc_calc(expr n)=
     ef nS=(Br-nE):   if bond_cntA<>1: warning_bond(i) fi
     fi
     for j=1 upto tbl_group_end:
-      if strD[nS]=tbl_atom_str[j]:
+      if str_tbl[nS]=tbl_atom_str[j]:
         if tbl_atom[j]=0: sumA[j]:=sumA[j]+1; if j>tbl_atom_max: tbl_atom_max:=j; fi
         else:
           for k=1 upto tbl_atom[j]:
             sumA[tbl_group[j][k]]:=sumA[tbl_group[j][k]]+1;
             if tbl_group[j][k]>tbl_atom_max: tbl_atom_max:=tbl_group[j][k]; fi
-          endfor
-        fi
-        knownA:=1;
-      fi
+          endfor fi
+        knownA:=1; fi
       exitif knownA=1;
     endfor
-    if knownA=0: warning(" Unknown Str("&strD[numS[i]]&") is used "&decimal(i)); fi
+    if knownA=0: warning(" Unknown Str("&str_tbl[strA[i]]&") is used "&decimal(i)); fi
   endfor
   %-------------------------------------------------------------------------------------
   sumA[2]:=sumA[2]+hideH_cnt;
@@ -1370,8 +1293,7 @@ def proc_calc(expr n)=
   for i=1 upto tbl_atom_max:
     if sumA[i]>=1:
       num_MW:= num_MW+tbl_atom_wt[i]*sumA[i]; num_MI:= num_MI+tbl_atom_mi[i]*sumA[i];
-      cal_FM:=cal_FM&erase_brace(tbl_atom_str[i]) if sumA[i]>=2: &decimal(sumA[i]) fi;
-    fi
+      cal_FM:=cal_FM&erase_brace(tbl_atom_str[i]) if sumA[i]>=2: &decimal(sumA[i]) fi; fi
   endfor
   cal_MW:=substring(0,8) of decimal(num_MW); cal_MI:=substring(0,10) of decimal(num_MI);
 enddef;
@@ -1380,8 +1302,7 @@ def proc_info_out(expr f)=
   message "["&decimal(fig_num)&"]:"&inf_EN;
   if (f=1)or(f=2): file_output:=jobname&"-info.aux"; ef f=3: file_output:=jobname&"-data.aux"; fi
   if (fig_num=1)and(f=2):
-    printf tag[1] for i=2 upto aux_max: exitif tag[i]=""; &aux_delimiter&tag[i] endfor ;
-  fi
+    printf tag[1] for i=2 upto aux_max: exitif tag[i]=""; &aux_delimiter&tag[i] endfor ; fi
   %--------------------------------------------------------------------------------------
   for i=1 upto aux_max: exitif tag[i]="";
     if i=1: printf "" else: &aux_delimiter fi
@@ -1398,8 +1319,7 @@ def proc_info_out(expr f)=
     ef tag[i]="JN":  & inf_JN                 ef tag[i]="MW":  & inf_MW
     ef tag[i]="MI":  & inf_MI                 ef tag[i]="FM":  & inf_FM
     ef tag[i]="CAS": & inf_CAS                ef tag[i]="USE": & inf_USE
-    ef tag[i]="EXA": & inf_EXA                ef tag[i]="EXB": & inf_EXB
-    fi
+    ef tag[i]="EXA": & inf_EXA                ef tag[i]="EXB": & inf_EXB fi
   endfor ;
   if f=3: printf "+";
           for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blanks)&mc[i]; endfor
@@ -1419,10 +1339,9 @@ def proc_report_out(expr f)=
     printf " row="&fdr(3)(mc_row)&" / length="&fdr(4)(length(mc))&" / commands="&fdr(3)(cnt_cmm);
     printf " {}=X ="&fdr(3)(cnt_chgB)&" / {}:X ="&fdr(3)(cnt_chgA)&
            " / '() ="&fdr(3)(cnt_inline_def)&" / @ ="&fdr(3)(cnt_at)&
-           " / & ="&fdr(3)(cnt_and)&" / < ="&fdr(3)(cnt_gtn);
-  fi
+           " / & ="&fdr(3)(cnt_and)&" / < ="&fdr(3)(cnt_gtn); fi
   printf "---------------------------------------------------------------------------";
-  printf " Warnings = "&fdr(3)(warning_cnt)&" / Code= "&decimal(cntD[0]);
+  printf " Warnings = "&fdr(3)(warning_cnt)&" / Code= "&decimal(parts_cnt[0]);
   printf " Width * Height = " & fdr(10)(mol_wd)&" * "&fdr(10)(mol_ht);
   printf " Shift width * height  = "& fdr(10)(minX)&" * "&fdr(10)(minY);
   printf " Bond length = "&fdr(3)(blen)&"   Atom size   = "&fdr(3)(atom_wd);
@@ -1431,7 +1350,7 @@ def proc_report_out(expr f)=
   printf "---------------------------------------------------------------------------";
   printf "< NO. ><atom(s) >(  x axis   ,   y axis   )<bond><hideH><chg>";
   for i=1 upto cntA:
-    printf " A"&fdl(6)(i)&fsl(8)(erase_brace(strD[numS[i]]))&
+    printf " A"&fdl(6)(i)&fsl(8)(erase_brace(str_tbl[strA[i]]))&
            " ("&fdr(10)(round(xpart(posA[i])/blen))&" , "&
             fdr(10)(round(ypart(posA[i])/blen))&" ) "&fdr(4)(Bcnt[i])&
             iif(hideH[i]>0,fdr(6)(hideH[i]),"        ")
@@ -1441,23 +1360,19 @@ def proc_report_out(expr f)=
   printf "< NO. ><  bond   (sdt)><angle +(  +-  )><length (   pt   )>";
   for i=1 upto cntB:
     nC:=lenB[i]; if nC=_size_atom: nC:=ratio_atom_bond; elseif nC<0: nC:=-nC; fi
-      nB:=angB[i]; if nB>180: nB:=nB-360; fi
-      printf " B"&fdl(4)(i)&fdr(3)(sB[i])&" -> "&fdr(3)(eB[i])&
-              " ("&fdr(3)(bond_num[i])&")"&fdr(8)(round(angB[i]))&
-              " ("&fdr(6)(round(nB))&")"&fdr(8)(nC)&" ("&fdr(8)(round(nC*blen))&")";
+    nB:=angB[i]; if nB>180: nB:=nB-360; fi
+    printf " B"&fdl(4)(i)&fdr(3)(sB[i])&" -> "&fdr(3)(eB[i])&
+           " ("&fdr(3)(bond_num[i])&")"&fdr(8)(round(angB[i]))&
+           " ("&fdr(6)(round(nB))&")"&fdr(8)(nC)&" ("&fdr(8)(round(nC*blen))&")";
   endfor
   printf "---------------------------------------------------------------------------";
   printf "<atom>( atom wt )[ mi wt   ]  < cnt > < sum wt   >[ sum mi wt  ]";
   for i=1 upto tbl_atom_max:
     if sumA[i]>=1:
-       nA:=tbl_atom_wt[i]/100*sumA[i]; nB:=tbl_atom_mi[i]/100*sumA[i];
-       printf " "&
-         fsl(5)(erase_brace(tbl_atom_str[i]))&
-         "("&fdr(9)(tbl_atom_wt[i])&")"&"["&fdr(9)(tbl_atom_mi[i])&"]"&" * "&fdr(4)(sumA[i])
-       if nA<40: &fdr(15)(tbl_atom_wt[i]*sumA[i])&"["&fdr(12)(tbl_atom_mi[i]*sumA[i])&"]";
-       else:     &fdr(11)(nA)&"*100"&"["&fdr(9)(nB)&"*100"&"]";
-       fi
-     fi
+      printf " "&fsl(5)(erase_brace(tbl_atom_str[i]))&
+        "("&fdr(9)(tbl_atom_wt[i])&")"&"["&fdr(9)(tbl_atom_mi[i])&"]"&" * "&fdr(4)(sumA[i])
+        &fdr(15)(tbl_atom_wt[i]*sumA[i])&"["&fdr(12)(tbl_atom_mi[i]*sumA[i])&"]";
+    fi
   endfor
   printf " Molecular Weight [Mono Isotopic] =   "&fsr(12)(cal_MW)&"["&fsr(12)(cal_MI)&"]";
   printf "---------------------------------------------------------------------------";
@@ -1478,12 +1393,11 @@ def proc_mol_out(expr n)=
     printf fdr(3)(cntA)&fdr(3)(cntB)&"  0  0  0  0  0  0  0  0999 V2000";
     for i=1 upto cntA:
       printf fdr(10)(xpart(posA[i])/blen)& fdr(10)(ypart(posA[i])/blen)&fdr(10)(0)&" "&
-             fsl(2)(erase_brace(strD[numS[i]]))&"  0"&fdr(3)(bond_charge(chargeA[i]))&"  0  0";
+             fsl(2)(erase_brace(str_tbl[strA[i]]))&"  0"&fdr(3)(bond_charge(chargeA[i]))&"  0  0";
     endfor
     for i=1 upto cntB:
       if lineB[i]<>0: printf fdr(3)(sB[i])&fdr(3)(eB[i])&fdr(3)(bond_type(lineB[i]))&
-                      fdr(3)(bond_stereo(lineB[i]))&"     0  0";
-      fi
+                      fdr(3)(bond_stereo(lineB[i]))&"     0  0"; fi
     endfor
     printf "M  END";
   %-V3000---------------------------------------------------------------------------------------
@@ -1494,7 +1408,7 @@ def proc_mol_out(expr n)=
     printf "M  V30 COUNTS "&decimal(cntA)&" "&decimal(cntB)&" 0 0 0";
     printf "M  V30 BEGIN ATOM";
     for i=1 upto cntA:
-      printf "M  V30 "&decimal(i)&" "&erase_brace(strD[numS[i]])&" "&
+      printf "M  V30 "&decimal(i)&" "&erase_brace(str_tbl[strA[i]])&" "&
              decimal(xpart(posA[i])/blen)&" "&decimal(ypart(posA[i])/blen)&" 0 0"
              if chargeA[i]<>0: &" CHG="&decimal(chargeA[i]) fi;
     endfor
@@ -1503,8 +1417,7 @@ def proc_mol_out(expr n)=
       if lineB[i]<>0:
         printf "M  V30 "&decimal(i)&" "&decimal(bond_type(lineB[i]))&
                " "&decimal(sB[i])&" "&decimal(eB[i])
-               if bond_stereo(lineB[i])<>0: &" CFG="&decimal(bond_config(lineB[i])) fi;
-      fi
+               if bond_stereo(lineB[i])<>0: &" CFG="&decimal(bond_config(lineB[i])) fi; fi
     endfor
     printf "M  V30 END BOND"; printf "M  V30 END CTAB"; printf "M  END";
   fi
@@ -1526,25 +1439,25 @@ vardef bond_config(expr n)=
  if (n=wf)or(n=zb)or(n=bd): 1 ef (n=zf)or(n=wb)or(n=dt): 3 ef n=wv: 2 else: 0 fi enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 vardef STa(expr s,WT,MI)=
-  str_cnt:=str_cnt+1; tbl_cnt:=tbl_cnt+1; parts_cnt:=parts_cnt+1;
-  comD[parts_cnt][1]:=_set_atom; parD[parts_cnt][1]:=str_cnt; cntD[parts_cnt]:=1;
-  strD[str_cnt]:=tbl_atom_str[tbl_cnt]:=s;
+  str_cnt:=str_cnt+1; tbl_cnt:=tbl_cnt+1; parts_num:=parts_num+1;
+  parts_com[parts_num][1]:=_set_atom; parts_par[parts_num][1]:=str_cnt; parts_cnt[parts_num]:=1;
+  str_tbl[str_cnt]:=tbl_atom_str[tbl_cnt]:=s;
   tbl_atom[tbl_cnt]:=0; tbl_atom_wt[tbl_cnt]:=WT; tbl_atom_mi[tbl_cnt]:=MI;
-  parts_cnt
+  parts_num
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef STb(expr s)(text t)=
-  str_cnt:=str_cnt+1; tbl_cnt:=tbl_cnt+1; parts_cnt:=parts_cnt+1;
-  comD[parts_cnt][1]:=_set_atom; parD[parts_cnt][1]:=str_cnt; cntD[parts_cnt]:=1;
-  strD[str_cnt]:=tbl_atom_str[tbl_cnt]:=s; tbl_atom[tbl_cnt]:=0;
+  str_cnt:=str_cnt+1; tbl_cnt:=tbl_cnt+1; parts_num:=parts_num+1;
+  parts_com[parts_num][1]:=_set_atom; parts_par[parts_num][1]:=str_cnt; parts_cnt[parts_num]:=1;
+  str_tbl[str_cnt]:=tbl_atom_str[tbl_cnt]:=s; tbl_atom[tbl_cnt]:=0;
   for list=t:
     tbl_atom[tbl_cnt]:=tbl_atom[tbl_cnt]+1;
     tbl_group[tbl_cnt][tbl_atom[tbl_cnt]]:=list-parts_emb_start;
   endfor
-  parts_cnt
+  parts_num
 enddef;
 %=================================================================================================
-parts_int:=parts_emi_start; parts_cnt:=parts_emb_start;
+parts_int:=parts_emi_start; parts_num:=parts_emb_start;
 %-------------------------------------------------------------------------------------------------
 C:= STa("C"   ,12.0107,   12.0000000);       H:= STa("H"  , 1.00794,    1.00782503223);
 D:= STa("D"   ,2.012,      2.01410177812);   Ag:=STa("{Ag}",107.868,  106.905095);
@@ -1575,7 +1488,7 @@ NO:=STb("NO")(N,O); NO2:=STb("N{O_2_}")(N,O,O); NH2:=STb("N{H_2_}")(N,H,H);
 SO2H:=STb("S{O_2_}H")(S,O,O,H); SO3H:=STb("S{O_3_}H")(S,O,O,O,H);
 ONa:=STb("O{Na}")(O,Na); SO3Na:=STb("S{O_3_}{Na}")(S,O,O,O,Na);
 %-------------------------------------------------------------------------------------------------
-tbl_group_end:=tbl_cnt; parts_atom_end:=parts_cnt;
+tbl_group_end:=tbl_cnt; parts_atom_end:=parts_num;
 %=================================================================================================
 for i=3 upto 20: ?[i]:='((_com,_len_ss),(_get_len,_ring_len),<((-180 DIV i)-90)
                  for j==2 upto i:: ,(360 DIV i) endfor,(_cyc_sB,1-i),(_com,_len_ee)); endfor
@@ -1590,6 +1503,7 @@ endfor
 Me:='(); Et:='(!); iPr:=?!:='(/_,!); ?!2:='(/_,!2); tBu:=??!:='(/_,/_^60,60);
 !?:='(!,/_); !?!:='(!,/_,!); n_:='((_set_add,a_minus)); p_:='((_set_add,a_plus));
 zero_wf:='(0~wf); zero_zf:='(0~zf); zero_dm:='(0~dm); zero_wv:='(0~wv);
+mark_adress:='((_com,_mark)); reset_adress:='((_com,_moff)); reset_length:='((_com,_len_e));
 %-------------------------------------------------------------------------------------------------
 NH:='(N,/H~nl); N!:='(N,/_); N!2:='(N,/!); SO:='(S,//O); SOO:='(S,//O^-35,//O^35);
 O!:='(O,!); O!2:='(O,!,!); O!3:='(O,!,!,!); O!?!:='(O,!,?!); O!??!:='(O,!,??!); OPh:='(O,!,Ph);
@@ -1627,7 +1541,7 @@ xCHO:='(//O^-60,/H^60); xCOOH:='(//O^-60,/xOH^60); xCN:='(/N~tm); xSH:='(S,/H);
 %=================================================================================================
 init_par(parameter_list);
 %-------------------------------------------------------------------------------------------------
-%%%%message "parts_emb =" & decimal(parts_emb_start) &" => " & decimal(parts_cnt);
+%%%%message "parts_emb =" & decimal(parts_emb_start) &" => " & decimal(parts_num);
 %%%%message "parts_emi =" & decimal(parts_emi_start) &" => " & decimal(parts_int);
 %-------------------------------------------------------------------------------------------------
 def expand_set=
@@ -1680,10 +1594,8 @@ vardef check(expr s)=
       ef nC=a_hat: if nD= a_cmm:  proc_err(7,nA) fi  if nB= a_cmm:  proc_err(7,nA) fi  % x ^ x
       ef nC=a_bqt: if nD= a_cmm:  proc_err(7,nA) fi  if nB= a_cmm:  proc_err(7,nA) fi  % x ` x
       ef nC=a_bar: if nD= a_bar:  if mc_char[nA+2]=a_bar: nA:=nA+1;                    %  ||
-                                  ef mc_char[nA+2]<>a_cmm: proc_err(8,nA)              %  | a
-                                  fi
-                                  if nB<>a_cmm: proc_err(8,nA) fi                      %  a |
-                   fi
+                                  ef mc_char[nA+2]<>a_cmm: proc_err(8,nA) fi           %  | a
+                                  if nB<>a_cmm: proc_err(8,nA) fi fi                   %  a |
       ef nC=a_prn_s: if nD= a_cmm: proc_err(7,nA) fi                                   %  ( x
                      cnt_prn_s:=cnt_prn_s+1; f_depth:=1;
                      if nB=a_qut: cnt_inline_def:=cnt_inline_def+1; fi
@@ -1716,8 +1628,9 @@ enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def query(text s)=
   begingroup
-  save f_mcf,f_line,unit_row,unit_cnt,line_s,row_cnt,semic_cnt,info_cnt,order,min_n,key_cnt,info_s,       sign_at,sign_n,filter_n,filter_tag,filter_var,filter_sign,filter_cnt,filter_p,at_semic,
-       at_colon,at_equal,at_less,at_greater,at_n,sort_all,key_s,sort_s;
+  save f_mcf,f_line,unit_row,unit_cnt,line_s,row_cnt,semic_cnt,info_cnt,order,min_n,key_cnt,
+       info_s,sign_at,sign_n,filter_n,filter_tag,filter_var,filter_sign,filter_cnt,filter_p,
+       at_semic,at_colon,at_equal,at_less,at_greater,at_n,sort_all,key_s,sort_s;
   string line_s[][],sort_s[],sort_all[],key_s[],filter_tag[],filter_var[],info_s[];
   numeric row_cnt[],order[],order_tbl[],filter_sign[],filter_p[],at_semic[];
   unit_row:=f_mcf:=mc_row:=info_cnt:=key_cnt:=filter_cnt:=0; unit_cnt:=1;
@@ -1733,20 +1646,17 @@ def query(text s)=
                       else:                       sign_at:=at_equal;   sign_n:=1; at_n:=1; fi
     ef at_greater>=2: if (at_greater-1)=at_less:  sign_at:=at_greater; sign_n:=2; at_n:=2;
                       else:                       sign_at:=at_greater; sign_n:=4; at_n:=1; fi
-    ef at_less>=2:                                sign_at:=at_less;    sign_n:=3; at_n:=1;
-    fi
+    ef at_less>=2:                                sign_at:=at_less;    sign_n:=3; at_n:=1; fi
     sT:=substring(0,sign_at-at_n) of list; sV:=substring(sign_at,length(list)) of list;
     %---------------------------------------------------------------------------------------------
     if sign_n=0:
       if sT="f": if scan_char(".",sV,0,1)=0: file_input:=sV&".mcf";  else: file_input:=sV; fi
       ef sT="o": if scan_char(".",sV,0,1)=0: file_output:=sV&".aux"; else: file_output:=sV; fi
-      ef sT="s": key_cnt:=key_cnt+1; key_s[key_cnt]:=sV;
-      fi
+      ef sT="s": key_cnt:=key_cnt+1; key_s[key_cnt]:=sV; fi
     else:
       filter_cnt:=filter_cnt+1; filter_tag[filter_cnt]:=sT; filter_sign[filter_cnt]:=sign_n;
       if (sign_n>=3)and(is_num(sV)=1): filter_var[filter_cnt]:=fix_num(sV);
-      else: filter_var[filter_cnt]:=sV;
-      fi
+      else: filter_var[filter_cnt]:=sV; fi
     fi
   endfor
   %-----------------------------------------------------------------------------------------------
@@ -1773,8 +1683,7 @@ def query(text s)=
               ef filter_sign[j]=3: if not(temps< filter_var[j]): filter_n:=0; fi
               ef filter_sign[j]=4: if not(temps> filter_var[j]): filter_n:=0; fi
               ef filter_sign[j]=5: if not(temps<=filter_var[j]): filter_n:=0; fi
-              ef filter_sign[j]=6: if not(temps>=filter_var[j]): filter_n:=0; fi
-              fi
+              ef filter_sign[j]=6: if not(temps>=filter_var[j]): filter_n:=0; fi fi
             fi
           endfor
         endfor
@@ -1782,8 +1691,7 @@ def query(text s)=
         sort_all[unit_cnt]:="";
         for j=1 upto key_cnt:
           if j=key_cnt: sort_all[unit_cnt]:=sort_all[unit_cnt]&sort_s[j];
-          else: sort_all[unit_cnt]:=fix_str(15,sort_s[1]);
-          fi
+          else: sort_all[unit_cnt]:=fix_str(15,sort_s[1]); fi
         endfor
         info_cnt:=0; if filter_n=1: unit_cnt:=unit_cnt+1; fi
       ef subc(1,temps)="+": f_mcf:=1; mc_row:=1;
@@ -1794,8 +1702,7 @@ def query(text s)=
           for i=1 upto semic_cnt+1:
             info_cnt:=info_cnt+1;
             if i<=semic_cnt: info_s[info_cnt]:=substring(at_semic[i-1],at_semic[i]-1) of temps;
-            else: info_s[info_cnt]:=substring(at_semic[semic_cnt],length(temps)) of temps;
-            fi
+            else: info_s[info_cnt]:=substring(at_semic[semic_cnt],length(temps)) of temps; fi
           endfor
         fi
       fi
@@ -1814,8 +1721,7 @@ def query(text s)=
     for i=1 upto unit_cnt:
       for j=1 upto row_cnt[order_tbl[i]]: printf line_s[order_tbl[i]][j]; endfor
     endfor
-  else:
-    for i=1 upto unit_cnt: for j=1 upto row_cnt[i]: printf line_s[i][j]; endfor endfor
+  else: for i=1 upto unit_cnt: for j=1 upto row_cnt[i]: printf line_s[i][j]; endfor endfor
   fi
   closefrom file_input; closefrom file_output;
   endgroup;
@@ -1825,13 +1731,13 @@ vardef fix_str(expr n,s)=
   if length(s)<n: sS:=s&substring(0,n-length(s)) of blanks;
   ef length(s)>n: sS:=substring(0,n) of s; fi sS
 enddef;
-%---------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
 vardef fix_num(expr s)=
   sS:=s; nN:=scan_char(".",sS,0,1);
   if nN=0: sS:=fsr(4)(sS); ef nN=1: sS:="   0"&sS;
   ef nN=2: sS:="   "&sS; ef nN=3: sS:="  "&sS; ef nN=4: sS:=" "&sS; fi sS
 enddef;
-%---------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
 vardef is_num(expr s)=
   for i=1 upto length(s):
     if ((subc(i,s)>="0")and(subc(i,s)<="9"))or(subc(i,s)="."): nN:=1; else: nN:=0; fi endfor nN