path: root/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Molecular Coding Format for mcf_example.tex  by Akira Yamaji  2016.08.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf;
%-------------------------------------------------------------------------
font_wd#:=33mm#;
font_ht#:=24mm#;
max_bond_width:=0.15;
%-------------------------------------------------------------------------
sw_auxout:=1;
sw_font_frame:=0;
sw_atom_frame:=0;
sw_expand:=0;
sw_start_vector:=0;
var3:="cal_FM";  tag3:="cFM";
var4:="cal_MW";  tag4:="cMW";
%%%% outputtemplate:="%3c-%j.png";
%%%% sw_auxfix:=1;
%%%% var3:="len_x";   tag3:="Lx";
%%%% var4:="len_y";   tag4:="Ly";
%%%% var5:="cal_MW";  tag5:="cMW";
%%%% var6:="cal_FM";  tag6:="cFM";
%%%% var7:="inf_USE"; tag7:="USE";
%%%% var8:="inf_EXA"; tag8:="EXA";
%%%% var9:="inf_EXB"; tag9:="EXB";
%%%% auxtag_out;
%%%% sw_checklist:=1;
%%%% sw_MOLout:=1;
%%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
%**************************************************************************
beginfont("EN:Acetamiprid")
  MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN)
endfont
%***************************************************************************
beginfont("EN:Imidacloprid")
  MCf(<30,Ph,1:N,6:/Cl,3\,!,|,?5,1:N,3:NH,2\\,!,NO2)
endfont
%***************************************************************************
beginfont("EN:Thiamethoxam")
  MCf(<30,?6,@(4,6)N,2:O,6:/Me,5\\,!,NO2,4\,!,|,?5,$(1,3)dl,3:N,5:S,4:/Cl)
endfont
%***************************************************************************
beginfont("EN:Tebufenozide")
  MCf(<30,Ph,6:/Et,3\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,@(3,5)/Me)
endfont
%***************************************************************************
beginfont("EN:Pyridaphenthion")
  MCf(<-30,!2,O,!,P,//S,/OEt^160>rl,!,O,!,|,?6,$(1,5)dl,@(2,3)N,4://O,3:/Ph)
endfont
%***************************************************************************
beginfont("EN:Fenitrothion")
  MCf(<30,!,O,!,P,//S,/OMe^160,!,O,!,|,Ph,3:/Me,4:/NO2)
endfont
%***************************************************************************
beginfont("EN:Permethrin")
  MCf(<-30,?3,2^-35:*/Me,2^35:/*Me,1\,!~dl,/Cl,!,Cl,
     3\,//O,!,O,!2,|,Ph,3\,O,-60,Ph)
endfont
%***************************************************************************
beginfont("EN:Bensultap")
  MCf(<30,Ph,4\,SOO,!,S,!2,N,/Me,!2,S,!,SOO,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Azoxystorbin")
  MCf(<30,Ph,2:/OH,3\,O,!,|,Ph,@(4,6)N,3\,O,!,|,Ph,2\,/OMe,!,//O,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Isoprothiolane")
  MCf(<30,!,/Me,!,O,!,//O,|,!2,//O,!,O,!,/Me,!,2\\,|,?5,@(2,5)S)
endfont
%***************************************************************************
beginfont("EN:Etridiazole")
  MCf(<18,?5,$(1,3)dl,@(2,4)N,5:S,1:/OEt,3:/CCl3)
endfont
%***************************************************************************
beginfont("EN:Oxine-Copper")
  MCf(Ph,4:N,5=Ph,-4\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,
     ||,4*,&12~vf,23*,&12~vf)
endfont
%***************************************************************************
beginfont("EN:Captan")
  MCf(<12,?6,6=dl,3=?5,2:N,@(7,9)//O,8\,S,!,CCl3)
endfont
%***************************************************************************
beginfont("EN:Chlorothalonil")
  MCf(<30,Ph,@(1,2,4,6)/Cl,@(3,5)/CN)
endfont
%***************************************************************************
beginfont("EN:Tetraconazole")
  MCf(<-6,
    ?5,$(2,5)d,@(1,2,4)N,4\,!3,O,!,/F^35,/F^-35,!,CF2,#7\,|,Ph,@(4,6)/Cl)
endfont
%***************************************************************************
beginfont("EN:Endosulfan");
  MCf(<26,?7,7=?6[13],11*,208~wf`1.45,&8~wb,10=dl,@(3,5)O,4:S,4://O,
      @(8,9,10,11,12^-210,12^-150)/Cl)
endfont;
%***************************************************************************
beginfont("EN:Flutolanil")
  MCf(<30,Ph,2:/CF3,3\,//O,!,NH,!,|,Ph,6:/OiPr)
endfont
%***************************************************************************
beginfont("EN:Propiconazole")
  MCf(<-6,?5,$(2,5)d,@(1,3,4)N,4\,!2,|,Ph,@(4,6)/Cl,#7\,|,?5,@(2,5)O,3:/Bu^24)
endfont
%***************************************************************************
beginfont("EN:Pencycuron")
  MCf(<30,Ph,6:/Cl,3\,!,N,/?6,!,//O,!,NH,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Asulam")
  MCf(<30,Ph,6:/NH2,3\,SOO,!,NH,!,//O,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Oxadixyl")
  MCf(<30,Ph,@(1,3)/Cl,4\,|,?5,2=dl,@(1,2)N,4:O,5://O,-3:/tBu,#6\,O,!2,!~tm)
endfont
%***************************************************************************
beginfont("EN:Oxaziclomefone")
  MCf(<30,?6,4:N,2:O,1:/Me,5://O,6:/Ph,4\,/Me^35,/Me^-35,!,|,Ph,@(3,5)/Cl)
endfont
%***************************************************************************
beginfont("EN:Cafenstrole")
  MCf(<30,Ph,@(2,4,6)/Me,3\,SOO,!,|,?5,$(2,5)d,@(2,4,5)N,4\,!,N,/Me,!2)
endfont
%***************************************************************************
beginfont("EN:Cyclosulfamuron")
  MCf(<30,
    Ph,5\,//O,!,?3,4\,NH,!,SOO,!,NH,!,//O,!,NH,!,|,Ph,@(2,6)N,@(3,5)/OMe)
endfont
%***************************************************************************
beginfont("EN:Napropamide")
  MCf(<-30,Ph,3=Ph,10\,O,!,/Me^35,/Me^-35,!,//O,!,N,/Et,!)
endfont
%***************************************************************************
beginfont("EN:Pyributicarb")
  MCf(<30,Ph,5:/tBu,3\,//O,!,S,!,N,/Me,!,|,Ph,@(5,6)/Me,3:/OMe)
endfont
%***************************************************************************
beginfont("EN:Propyzamide")
  MCf(<30,Ph,@(1,5)/Cl,3\,//O,!,NH,!,/Me^35,/Me^-35,!,!~tm)
endfont
%***************************************************************************
beginfont("EN:Pendimethalin")
  MCf(<30,Ph,@(1,2)/Me,6:/Cl,@(3,5)/NO2,4\,NH,!,/Et,!2)
endfont
%***************************************************************************
beginfont("EN:Benfluralin")
  MCf(<30,Ph,@(1,3)/NO2,5:/CF3,2\,N,/Et,!4)
endfont
%***************************************************************************
beginfont("EN:Trinexapac-ethyl")
  MCf(<30,?6,@(2,4)//O,6:/COOEt,3\\,/OH,!,?3)
endfont
%***************************************************************************
beginfont("EN:Buprofezin")
  MCf(<-30,?6,@(1,5)N,3:S,6://O,5:/tBu,4\\,N,!,tBu,1:/Ph)
endfont
%***************************************************************************
beginfont("EN:Tricyclazole")
  MCf(<30,Ph,2:/Me,|,-4=?5,1:N,3:S,|,-3=?5,$(2,4)dl,@(2,3)N)
endfont
%***************************************************************************
beginfont("EN:Phthalide")
  MCf(<30,Ph,@(1,2,5,6)/Cl,|,-4=?5,2:O,3://O)
endfont
%***************************************************************************
beginfont("EN:Probenazole")
  MCf(<12,Ph,|,-4=?5,1:SOO,2:N,3\,O,!2,!~dr)
endfont
%***************************************************************************
beginfont("EN:Simetryn")
  MCf(<30,Ph,@(2,4,6)N,5:/SMe,@(1,3)/NHEt)
endfont
%***************************************************************************
beginfont("EN:Rifampicin")
  MCf(<30,
     Ph,6:/Me^30,5:/OH,|,-6=?5,1:O,3://O,2:/*Me^60,|,-8=?6,@(2,4)d,@(1,4)/OH,
     {,``1,-2\,NH,60,//O,-60,/Me,60~dl,60,60~dl,-60,
      */Me,60,/*OH,-60,/*Me,60,/*OH,60,*/Me^30,-60,
      60,/*Me^30,-53,/*OMe,66,-53~dl,66`1.2,O,},&#8,
      #11\,!~dr,N,!,|,?6,@(1,4)N,4:/Me)
endfont
%***************************************************************************
beginfont("EN:Wortmanin")
  MCf(<30,?6,$(-4,-2)?6,-4=?5,(2,7)=?5[3],
     6:O,1://O,$(7,10)dl,8://O,17://O,-3=d,-1:O,
     @(4,12)*/Me^60,11:/*H^-60,
     #5\*,60,O,!,#14\*^-25,//O,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Ampicillin")
  MCf(<45,?4,-3=?5,2:N,7:S,
    @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/Me,
   ,4*\^75,NH,!,//O,!,/*NH2,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Validamycin")
  MCf(<30,?6,@(5,6)/OH,3\,-60,OH,
    #4\,O,-60,|,?6,2:O,@(3,4,5,6)/OH,
    #1\,NH,!,|,?6,2=d,@(4,5,6)/OH,-4\,!,OH)
endfont
%**************************************************************************
beginfont("EN:Oceltamivir")
  MCf(<30,?6,3=dl,1:/NH2,3:/COOEt,6:/NHCOMe,5\~zf,O,!,/Et,!2)
endfont
%***************************************************************************
beginfont("EN:Etyprostontromethamine")
  MCf(?5,@(2,5)/*OH,
    #3*\^6,!~dl,!3,O,0,Ph,#8*,|,?5,@(1,4)O,#4\*^-6,!,30~dl,30,!3,COOH)
endfont
%***************************************************************************
beginfont("EN:Chlorophyll a")
MCf(<54,{,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N,
   -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&#5,
   -1*,24,/*COOMe^15,72,//O,&#1,},
   @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr,
   #4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb,
   #21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me)
endfont
%**************************************************************************
beginfont("EN:Gibberellin A3");
  MCf(<18,?5,3=?7,5=?6[12],8*,160`1.3,&3,13=dl,6=wf,8=wb,
     5*,40~zf`1,O,50,//O^180,&14~zb,
     2:/COOH,7://Me,13:*/OH,8:/*OH,14:*/Me,@(1^60,4^60)*/H)
endfont;
%**************************************************************************
beginfont("EN:Cholesterol")
  MCf(<30,?6,$(-4,-2)?6,-4=?5,7=dl,
     1:*/OH,@(4,12)*/Me^60,
     10:/*H^180,@(11,-1)/*H^-60,9:*/H^60,-1\^17,/*Me,!4,/Me,!)
endfont
%***************************************************************************
beginfont("EN:Lycorine")
  MCf(<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,@(15,17)O,
    9:/*H^180,10:*/H^60,13:*/OH,14:/*OH)
endfont
%**************************************************************************
beginfont("EN:Tetrodotoxine")
  MCf({,``1,<60,-90,60,-30`1.15,150,60,&#1,#3*,-135,60,-30`1.15,150,&#4,
     #10\,O,60`1.33,60,&#3~ov,#8*,-15~ov,O,&#12,},#9*,45,-60,OH,1^120://NH,
     @(5~zf^-15,7,9^-75,12,13~zf)/OH,@(2,6^180)NH)
endfont
%***************************************************************************
beginfont("EN:beta-Carotene")
  MCf(<30,?6,3=dl,@(3,5^35,5^-35)/Me,
     4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/Me,
     |,?6,6=dl,@(6,2^35,2^-35)/Me)
endfont
%**************************************************************************
beginfont("EN:alfa-Tocopherol")
  MCf(<30,Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,8\,|,!12,@(4,8)/*Me,12:/Me)
endfont
%**************************************************************************
beginfont("EN:Qercetin")
  MCf(<30,Ph,3=?6,9\,Ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH)
endfont
%***************************************************************************
beginfont("EN:Limonin")
  MCf(<30,?6,$(-3,-4)?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,
      @(13,15,17,20)O,@(3,12,21)//O,
      @(4~wf^60,8~zf^60,18^35,18^-35)/Me,@(1^60,5^180,16^60)/*H,
      14\*,|,?5,$(1,4)dl,3:O)
endfont
%**************************************************************************
beginfont("EN:Cromolyn")
  MCf(<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
    #2\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH)
endfont
%**************************************************************************
beginfont("EN:Emetine")
  MCf(<30,Ph,$(-4,-4)?6,8:N,@(1,6)/OMe,-2:/*Et,@(7^-60,12^-60)/*H,
     -3\,!~zb,<-60,|,?6,5=d,2:NH,-6^-60:*/H,|,-2=?6,$(2,4)dl)
endfont
%***************************************************************************
beginfont("EN:Colchicine")
  MCf(<30,Ph,@(1,2,6)/OMe,-4=?7,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OH,
     9\,NH,!,//O,!)
endfont
%***************************************************************************
beginfont("EN:Caffeine")
  MCf(<30,?6,3=d,@(2,6)N,@(2,6)/Me,@(1,5)//O,|,-4=?5,2=dl,@(1,3)N,3:/Me)
endfont
%**************************************************************************
beginfont("EN:Acronycine")
  MCf(<30,Ph,|,-4=?6,1:N,4://O,,1:/Me,-3=Ph2,-1:/OMe,
      |,-4=?6,2=d,4:O,-2^-35:/Me,-2^35:/Me)
endfont
%***************************************************************************
beginfont("EN:Ibotenic acid")
  MCf(<18,?5,4=d,3:O,2:NH,1://O,4\^-24,/NH2,!,COOH)
endfont
%**************************************************************************
beginfont("EN:Piperine")
  MCf(<30,Ph,|,-1=?5,@(1,3)O,#4\,!~dr,!,!~dr,!,//O,!,|,?6,1:N)
endfont
%***************************************************************************
beginfont("EN:Febrifugine")
  MCf(<30,Ph,|,-4=?6,2=d,@(1,3)N,4://O,#9\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH)
endfont
%***************************************************************************
beginfont("EN:Mitomycine C")
  MCf(<30,?6,$(3,6)dl,@(2,5)//O,1:/Me,|,-4=?5,1:N,
     #6:/NH2,|,-3=?5,|,-2=?3,-1=wb,-2=wf,-1:NH,
     #8:/*OMe^35,#9\`1^17.9,!,O,!,//O,!,NH2)
endfont
%***************************************************************************
beginfont("EN:Podophyllotoxin");
  MCf(<0,?5,@(2,5)O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,
    10\*,Ph,@(-2,-3,-4)/OMe,#13:/*OH,@(#11~wf^-60,#12~zf^60)/H)
endfont;
%***************************************************************************
beginfont("EN:Warfarin");
  MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
endfont;
%***************************************************************************
beginfont("EN:Genistein");
  MCf(<30,Ph,3=?6,10:O,@(2,6)/OH,9://O,8\,Ph,-3:/OH)
endfont;
%***************************************************************************
beginfont("EN:Baicalein");
  MCf(<30,Ph,3=?6,10:O,@(1,2,6)/OH,9://O,8\,Ph)
endfont;
%***************************************************************************
beginfont("EN:Baicalein");
  MCf(<30,Ph,3=?6,9=d,10:O,@(1,2,6)/OH,7://O,-2\,Ph)
endfont;
%***************************************************************************
beginfont("EN:Reserpine");
  MCf(<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,
    @(15^-60,16^60)/*H,
    #20*\,O,!,//O,!,|,Ph,@(-2,-3,-4)/OMe,@(#1,#19~zf>rl)/OMe,
    #18*\,//O,!,O,!)
endfont;
%***************************************************************************
beginfont("EN:Rotenone");
  MCf(<-60,?5,$(-3,-2,-3,-4)?6,$(7,9,-2,-4)dl,$(3,17)dr,
   @(2,13,16)O,10://O,@(11^-60,12^60)*/H,@(-2,-3)/OMe,1*\,/Me,!~dl)
endfont;
%***************************************************************************
beginfont("EN:Pyrethrin I");
  MCf(<30,?3,@(3^35~wf,3^-35~zf)/Me,1*\,!~dl,iPr,
     2\*,//O,!,O,-36~zb,|,?5,-2=d,-1:/Me,-3://O,-2\,!4,$(-1,-3)dl)
endfont;
%***************************************************************************
beginfont("EN:Erythromycin");
MCf(<30,{,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1,
    14:O,13:/*Et,@(1,9)//O,@(2,10)*/Me,@(4,6^-35,8,12^35)/*Me,
    @(6^35,11,12^-35)*/OH,
    #3\*,O,30,|,?6`.7,2:O,@(3,5^35)/Me,4:/OH,5^-35:/OMe,
    #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/Me,2:/OH,3:/NMeMe)
endfont;
%**************************************************************************
beginfont("EN:Paclitaxel")
  MCf(?6,5=d,3*,{,``1,36,45,45,45,45,},&#5,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
    @(4^35,4^-35,6)/Me,@(3^-60,15)*/OH,8:/*H^-60,9:*/Me^60,10://O,
    #1\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
    #7\*,O,-45,//O,60,Ph,#11*\,O,-60,//O,60,#12\*^-15,O,60,//O,-60)
endfont
%**************************************************************************
beginfont("EN:Mevastatin")
  MCf(<30,?6,2=d,4:*/H^60,|,-4=?6,2=dl,9:*/Me,
     #10*\,!,60~wb,|,?6,6:O,-2://O,-4:/*OH,#5\*,O,60,//O,!,*/Me,!2)
endfont
%***************************************************************************
beginfont("EN:Sesamine")
  MCf(<54,?5,1=?5,@(4,7)O,@(1^-54,2^54)*/H,
   #5*\^-12,Ph,|,-3=?5,@(-1,-3)O,#8*\^-12,Ph,|,-3=?5,@(-1,-3)O)
endfont
%**************************************************************************
beginfont("EN:Morphine")
  MCf(<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb,
    7*,60~wf`0.75,70~ov`1.3,45,N,/Me,&9~wb,
    15=dl,6:/OH,8^180:*/H,12:/*OH)
endfont
%**************************************************************************
beginfont("EN:Capsaicin")
  MCf(<30,Ph,1:/OH,6:/OMe,4\,!,NH,!,//O,|,!8,-3=dr,-1:/Me)
endfont
%***************************************************************************
beginfont("EN:Quinine")
  MCf(<30,Ph,3=Ph,7:N,6:/OMe,
    10\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4*\,!~dr,2*,165~zf,60,&5~zb)
endfont
%***************************************************************************
beginfont("EN:Atoropin")
  MCf(<-30,O,!,//O,!,!,Ph,
     #1\~zb^-120,|,?7`1.1,6*\^190`1.25,N,/Me,&3~wb,#3\~wv,!,OH)
endfont
%***************************************************************************
bye