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

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Molecular Coding Format for mcf_example.tex  by Akira Yamaji  2017.01.09
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf;   %%% it must be version 4.07 or later
%-------------------------------------------------------------------------
font_wd#:=33mm#;
font_ht#:=24mm#;
max_bond_length#:=4.5mm#;
%-------------------------------------------------------------------------
sw_auxout:=1;
sw_font_frame:=0;
sw_atom_frame:=0;
%%%% sw_expand:=1;
var3:="cal_FM";  tag3:="cFM";
var4:="cal_MW";  tag4:="cMW";
%%%% outputtemplate:="%3c-%j.png";
%%%% sw_auxfix:=1;
%%%% var3:="mol_wd";  tag3:="mWD";
%%%% var4:="mol_ht";  tag4:="mHT";
%%%% 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","MW:222.676")
  MCf(<30,Ph,2:N,1:/Cl,4\,!,N,/_,!,/_,!!,N,!,CN)
endfont
%***************************************************************************
beginfont("EN:Imidacloprid","MW:255.662")
  MCf(<30,Ph,1:N,6:/Cl,3\,!,|,?5,2=dl,1:N,3:N,2\,NH,!,NO2)
endfont
%***************************************************************************
beginfont("EN:Thiamethoxam","MW:291.71")
  MCf(<30,?6,@(4,6)N,2:O,6:/_,5\\,N,!,NO2,4\,!,|,?5,$(1,3)d,3:N,5:S,4:/Cl)
endfont
%***************************************************************************
beginfont("EN:Tebufenozide","MW:352.478")
  MCf(<30,Ph,6:/Et,3\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,@(3,5)/_)
endfont
%***************************************************************************
beginfont("EN:Pyridaphenthion","MW:340.334")
  MCf(<-30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,$(1,5)dl,@(2,3)N,4://O,3:/Ph)
endfont
%***************************************************************************
beginfont("EN:Fenitrothion","MW:277.231")
  MCf(<30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,4:/NO2)
endfont
%***************************************************************************
beginfont("EN:Permethrin","MW:391.288")
  MCf(<-30,?3,2^-35:*/_,2^35:/*_,1\,!!,/Cl,!,Cl,
     3\,//O,!,O,!2,|,Ph,3\,O,-60,Ph)
endfont
%***************************************************************************
beginfont("EN:Bensultap","MW:431.598")
  MCf(<30,Ph,4\,SOO,!,S,!2,N,/iPr,!2,S,!,SOO,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Azoxystorbin","MW:403.394")
  MCf(<30,Ph,2:/CN,3\,O,!,|,Ph,@(4,6)N,3\,O,!,|,Ph,2\,/COO!,!!,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Isoprothiolane","MW:290.392")
  MCf(<30,!,/_,!,O,!,//O,|,!2,//O,!,O,!,/_,!,2\\,|,?5,@(2,5)S)
endfont
%***************************************************************************
beginfont("EN:Etridiazole","MW:247.518")
  MCf(<18,?5,$(1,3)d,@(2,4)N,5:S,1:/O!2,3:/CCl3)
endfont
%***************************************************************************
beginfont("EN:Oxine-Copper","MW:351.852")
  MCf(Ph,4:N,5=Ph,-4\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,
     ||,4*,&12~vf,23*,&12~vf)
endfont
%***************************************************************************
beginfont("EN:Captan","MW:300.578")
  MCf(<12,?6,6=d,3=?5,8:N,@(7,9)//O,8\,S,!,CCl3)
endfont
%***************************************************************************
beginfont("EN:Chlorothalonil","MW:265.902")
  MCf(<30,Ph,@(1,2,4,6)/Cl,@(3,5)/CN)
endfont
%***************************************************************************
beginfont("EN:Tetraconazole","MW:372.145")
  MCf(<-6,
    ?5,$(2,5)d,@(1,2,4)N,4\,!3,O,!,/F^35,/F^-35,!,CF2,#7\,|,Ph,@(4,6)/Cl)
endfont
%***************************************************************************
beginfont("EN:Endosulfan","MW:406.904");
  MCf(<26,?7,7=?6[13],11*,208~wf`1.45,&8~wb,10=d,@(3,5)O,4:S,4://O,
      @(8,9,10,11,12^-210,12^-150)/Cl)
endfont;
%***************************************************************************
beginfont("EN:Flutolanil","MW:323.315")
  MCf(<30,Ph,2:/CF3,3\,//O,!,NH,!,|,Ph,6:/OiPr)
endfont
%***************************************************************************
beginfont("EN:Propiconazole","MW:342.22")
  MCf(<-6,?5,$(2,5)d,@(1,3,4)N,4\,!2,|,Ph,@(4,6)/Cl,#7*,|,?5,@(1,4)O,3:/Pr^24)
endfont
%***************************************************************************
beginfont("EN:Pencycuron","MW:328.84")
  MCf(<30,Ph,6:/Cl,3\,!,N,/?5,!,//O,!,NH,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Asulam","MW:230.238")
  MCf(<30,Ph,6:/NH2,3\,SOO,!,NH,!,//O,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Oxadiargyl","MW:341.19")
  MCf(<30,Ph,@(1,3)/Cl,4\,|,?5,2=d,@(1,2)N,4:O,5://O,-3:/tBu,#6\,O,!2,!!!)
endfont
%***************************************************************************
beginfont("EN:Oxaziclomefone","MW:376.277")
  MCf(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,4\,/_^35,/_^-35,!,|,Ph,@(3,5)/Cl)
endfont
%***************************************************************************
beginfont("EN:Cafenstrole","MW:350.437")
  MCf(<30,Ph,@(2,4,6)/_,3\,SOO,!,|,?5,$(2,5)d,@(2,4,5)N,4\,//O,!,N,/Et,!2)
endfont
%***************************************************************************
beginfont("EN:Cyclosulfamuron","MW:421.428")
  MCf(<30,
    Ph,5\,//O,!,?3,4\,NH,!,SOO,!,NH,!,//O,!,NH,!,|,Ph,@(2,6)N,@(3,5)/O!)
endfont
%***************************************************************************
beginfont("EN:Napropamide","MW:271.36")
  MCf(<-30,Ph,3=Ph,10\,O,!,/_^35,/_^-35,!,//O,!,N,/Et,!)
endfont
%***************************************************************************
beginfont("EN:Pyributicarb","MW:330.446")
  MCf(<30,Ph,5:/tBu,3\,O,!,//S,!,N,/_,!,|,Ph,3:/O!)
endfont
%***************************************************************************
beginfont("EN:Propyzamide","MW:256.126")
  MCf(<30,Ph,@(1,5)/Cl,3\,//O,!,NH,!,/_^35,/_^-35,!,!!!)
endfont
%***************************************************************************
beginfont("EN:Pendimethalin","MW:281.312")
  MCf(<30,Ph,@(1,2)/_,@(3,5)/NO2,4\,NH,!,/Et,!2)
endfont
%***************************************************************************
beginfont("EN:Benfluralin","MW:335.283")
  MCf(<30,Ph,@(1,3)/NO2,5:/CF3,2\,N,/Et,!4)
endfont
%***************************************************************************
beginfont("EN:Trinexapac-ethyl","MW:252.266")
  MCf(<30,?6,@(2,4)//O,6:/COO!2,3\\,/OH,!,?3)
endfont
%***************************************************************************
beginfont("EN:Buprofezin","MW:305.44")
  MCf(<-30,?6,@(1,5)N,3:S,6://O,5:/iPr,4\\,N,!,tBu,1:/Ph)
endfont
%***************************************************************************
beginfont("EN:Tricyclazole","MW:189.236")
  MCf(<30,Ph,2:/_,|,-4=?5,1:N,3:S,|,-3=?5,$(2,4)d,@(2,3)N)
endfont
%***************************************************************************
beginfont("EN:Phthalide","MW:271.91")
  MCf(<30,Ph,@(1,2,5,6)/Cl,|,-4=?5,2:O,3://O)
endfont
%***************************************************************************
beginfont("EN:Probenazole","MW:223.246")
  MCf(<12,Ph,|,-4=?5,-2=dl,1:SOO,2:N,3\,O,!2,!!)
endfont
%***************************************************************************
beginfont("EN:Simetryn","MW:213.303")
  MCf(<30,Ph,@(2,4,6)N,5:/S!,@(1,3)/NH!2)
endfont
%***************************************************************************
beginfont("EN:Rifampicin","MW:822.94")
  MCf(<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,
      |,-8=?6,$(2,4)dl,@(1,4)/OH,
     {,``1,-2\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
      */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
      60,/*_^30,-53,66,-53~dl,66`1.2,O,},&#8,
      -4:/*O!,-6*,-30,O,!,//O,!,#11\,!!,N,!,|,?6,@(1,4)N,4:/_)
endfont
%***************************************************************************
beginfont("EN:Wortmannin","MW:428.43")
  MCf(<30,?6,$(-4,-2)?6,-4=?5,(2,7)=?5[3],
     6:O,1://O,$(7,10)d,8://O,17://O,-3=d,-1:O,
     @(4,12)*/_^60,11:/*H^-60,
     #5\*,60,O,!,#14\*^-25,//O,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Ampicillin","MW:349.405")
  MCf(<45,?4,-3=?5,2:N,7:S,
    @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/_,
   ,4*\^75,NH,!,//O,!,/*NH2,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Validamycin","MW:497.494")
  MCf(<30,?6,@(5,6)/OH,3\,-60,OH,
    #4\,O,-60,|,?6,2:O,@(3,4,5)/OH,6:/!OH,
    #1\,NH,!,|,?6,2=dl,@(4,5,6)/OH,3:/!OH)
endfont
%**************************************************************************
beginfont("EN:Oceltamivir","MW:312.41")
  MCf(<30,?6,3=d,1:/NH2,3:/COO!2,6:/NHCO!,5\~zf,O,!,/Et,!2)
endfont
%***************************************************************************
beginfont("EN:Luciferin","MW:280.33")
  MCf(<30,Ph,3=?5,8\,?5,$(9,16)d,@(9,14)N,@(7,11)S,1:/OH,-2:*/COOH)
endfont
%***************************************************************************
beginfont("EN:Chlorophyll a","MW:893.509")
MCf(<54,{,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N,
   -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&#5,
   -1*,24,/*COO!^15,72,//O,&#1,},
   @(2,9,15,20~zf)/_,8:/Et,14\,!!,
   #4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb,
   #21*,-6~wf,!2,//O,!,O,!2,!!,|,!13,@(1,5,9,13)/_)
endfont
%**************************************************************************
beginfont("EN:Gibberellin A3","MW:346.379");
  MCf(<18,?5,3=?7,5=?6[12],8*,160`1.3,&3,13=dl,6=wf,8=wb,
     5*,40~zf`1,O,50,//O^180,&14~zb,
     2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,@(1^60,4^60)*/H)
endfont;
%**************************************************************************
beginfont("EN:Cholesterol","MW:386.664")
  MCf(<30,?6,$(-4,-2)?6,-4=?5,7=dl,
     1:*/OH,@(4,12)*/_^60,
     10:/*H^180,@(11,-1)/*H^-60,9:*/H^60,-1\^17,/*_,!4,/_,!)
endfont
%***************************************************************************
beginfont("EN:Lycorine","MW:287.315")
  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","MW:319.27")
  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~si_,#8*,-15~si_,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","MW:536.888")
  MCf(<30,?6,3=dl,@(3,5^35,5^-35)/_,
     4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/_,
     |,?6,6=d,@(6,2^35,2^-35)/_)
endfont
%**************************************************************************
beginfont("EN:alfa-Tocopherol","MW:430.717")
  MCf(<30,Ph,3=?6,7:O,@(1,2,5)/_,8:/*_^60,6:/OH,8\,|,!12,@(4,8)/*_,12:/_)
endfont
%**************************************************************************
beginfont("EN:Quercetin","MW:302.24")
  MCf(<30,Ph,3=?6,9\,Ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH)
endfont
%***************************************************************************
beginfont("EN:Limonin","MW:470.518")
  MCf(<30,?6,$(-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)/_,@(1^60,5^180,16^60)/*H,
      14\*,|,?5,$(1,4)dl,3:O)
endfont
%**************************************************************************
beginfont("EN:Cromolyn","MW:468.37")
  MCf(<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
    #2\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH)
endfont
%**************************************************************************
beginfont("EN:Emetine","MW:480.649")
  MCf(<30,Ph,$(-4,-4)?6,8:N,@(1,6)/O!,-2:/*Et,@(7^-60,12^-60)/*H,
     -3\,!~zb,<-60,|,?6,5=d,2:NH,-6^-60:*/H,|,-2=?6,$(2,4)dl,@(-2,-3)/O!)
endfont
%***************************************************************************
beginfont("EN:Colchicine","MW:399.443")
  MCf(<30,Ph,@(1,2,6)/O!,-4=?7,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/O!,
     9\,NH,!,//O,!)
endfont
%***************************************************************************
beginfont("EN:Caffeine","MW:194.194")
  MCf(<30,?6,3=d,@(2,6)N,@(2,6)/_,@(1,5)//O,|,-4=?5,2=dl,@(1,3)N,3:/_)
endfont
%**************************************************************************
beginfont("EN:Acronycine","MW:321.376")
  MCf(<30,Ph,|,-4=?6,1:N,4://O,,1:/_,-3=Ph2,-1:/O!,
      |,-4=?6,2=d,4:O,-2^-35:/_,-2^35:/_)
endfont
%***************************************************************************
beginfont("EN:Ibotenic acid","MW:158.113")
  MCf(<18,?5,4=d,3:O,2:NH,1://O,4\^-24,/NH2,!,COOH)
endfont
%**************************************************************************
beginfont("EN:Piperine","MW:285.343")
  MCf(<30,Ph,|,-1=?5,@(1,3)O,#4\,!!,!,!!,!,//O,!,|,?6,1:N)
endfont
%***************************************************************************
beginfont("EN:Febrifugine","MW:301.346")
  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","MW:334.332")
  MCf(<30,?6,$(3,6)dl,@(2,5)//O,1:/_,|,-4=?5,1:N,
     #6:/NH2,|,-3=?5,|,-2=?3,-1=wb,-2=wf,-1:NH,
     #8:/*O!^35,#9\`1^17.9,!,O,!,//O,!,NH2)
endfont
%***************************************************************************
beginfont("EN:Podophyllotoxin","MW:414.41");
  MCf(<0,?5,@(2,5)O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,
    10\*,Ph,@(-2,-3,-4)/O!,#13:/*OH,@(#11~wf^-60,#12~zf^60)/H)
endfont;
%***************************************************************************
beginfont("EN:Warfarin","MW:308.333");
  MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
endfont;
%***************************************************************************
beginfont("EN:Genistein","MW:270.24");
  MCf(<30,Ph,3=?6,9=dl,10:O,@(2,6)/OH,7://O,8\,Ph,-3:/OH)
endfont;
%***************************************************************************
beginfont("EN:Baicalein","MW:270.24");
  MCf(<30,Ph,3=?6,9=dl,10:O,@(1,2,6)/OH,7://O,8\,Ph)
endfont;
%***************************************************************************
beginfont("EN:Reserpine","MW:608.688");
  MCf(<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,
    @(15^-60,16^60)/*H,
    #20*\,O,!,//O,!,|,Ph,@(-2,-3,-4)/O!,@(#1,#19~zf>rl)/O!,
    #18*\,//O,!,O,!)
endfont;
%***************************************************************************
beginfont("EN:Nicotine","MW:162.23");
  MCf(<30,Ph,2:N,4\,|,?5,2:N,2:/_)
endfont;
%***************************************************************************
beginfont("EN:Rotenone","MW:394.423");
  MCf(<-60,?5,$(-3,-2,-3,-4)?6,$(7,9,-2,-4)d,$(3,17)dr,
   @(2,13,16)O,10://O,@(11^-60,12^60)*/H,@(-2,-3)/O!,1*\,/_,!!)
endfont;
%***************************************************************************
beginfont("EN:Pyrethrin I","MW:328.452");
  MCf(<30,?3,@(3^35~wf,3^-35~zf)/_,1*\,!!,iPr,
     2\*,//O,!,O,-36~zb,|,?5,-2=d,-1:/_,-3://O,-2\,!4,$(-1,-3)d)
endfont;
%***************************************************************************
beginfont("EN:Erythromycin","MW:733.937");
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)*/_,@(4,6^-35,8,12^35)/*_,
    @(6^35,11,12^-35)*/OH,
    #3\*,O,30,|,?6`.7,2:O,@(3,5^35)/_,4:/OH,5^-35:/O!,
    #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMeMe)
endfont;
%**************************************************************************
beginfont("EN:Paclitaxel","MW:853.918")
  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)/_,@(3^-60,15)*/OH,8:/*H^-60,9:*/_^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","MW:390.52")
  MCf(<30,?6,2=d,4:*/H^60,|,-4=?6,2=d,9:*/_,
     #10*\,!,60~wb,|,?6,6:O,-2://O,-4:/*OH,#5\*,O,60,//O,!,*/_,!2)
endfont
%***************************************************************************
beginfont("EN:Sesamine","MW:354.35")
  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","MW:285.343")
  MCf(<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb,
    7*,60~wf`0.75,70~si_`1.3,45,N,/_,&9~wb,
    15=d,6:/OH,8^180:*/H,12:/*OH)
endfont
%**************************************************************************
beginfont("EN:Capsaicin","MW:305.418")
  MCf(<30,Ph,1:/OH,6:/O!,4\,!,NH,!,//O,|,!8,-3=d,-1:/_)
endfont
%***************************************************************************
beginfont("EN:Quinine","MW:324.424")
  MCf(<30,Ph,3=Ph,7:N,6:/O!,
    10\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4*\,!!,2*,165~zf,60,&5~zb)
endfont
%***************************************************************************
beginfont("EN:Atoropin","MW:289.375")
  MCf(<-30,O,!,//O,!,!,Ph,
     #1\~zb^-120,|,?7`1.1,6*\^190`1.25,N,/_,&3~wb,#3:/!OH~wv)
endfont
%***************************************************************************
bye