From b63aa636b82853ca4885c1e90c619cdbcfa72730 Mon Sep 17 00:00:00 2001 From: Norbert Preining Date: Mon, 6 Sep 2021 03:02:24 +0000 Subject: CTAN sync 202109060302 --- graphics/mcf2graph/mcf_data_base.mcf | 57 +++++++++++++++++++++--------------- 1 file changed, 34 insertions(+), 23 deletions(-) (limited to 'graphics/mcf2graph/mcf_data_base.mcf') diff --git a/graphics/mcf2graph/mcf_data_base.mcf b/graphics/mcf2graph/mcf_data_base.mcf index 848ad6470d..cb535a710f 100644 --- a/graphics/mcf2graph/mcf_data_base.mcf +++ b/graphics/mcf2graph/mcf_data_base.mcf @@ -1,15 +1,16 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.08.01 +% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.09.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line "%" comment out % first character of line "+" begin MCF % first string of line "+-" end MCF +% first string of line "%-" end header % Cat = Category %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %============================================================================== % molecular data for mcf_example.tex EXA=1(155) -%============================================================================== +%-============================================================================= Cat:biological;EN:Adenine;MW:135.13;EXA:1 + <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH @@ -214,7 +215,7 @@ Cat:biological;EN:D-Glucosamine;MW:179.17;EXA:1 + hexose_hp,{1^$-90,2^$90,4^$-90}:/OH`-.5,3^$-90:/NH2,6^$90:/!OH`-.5 +------------------------------------------------------------------------------ -Cat:biological;EN:N-acetyl-glucosamine;MW:221.21;EXA:- +Cat:biological;EN:N-acetyl-Glucosamine;MW:221.21;EXA:1 + hexose_hp,{1^$-90,2^$90,4^$-90}:/OH`-.5,3^$-90>lr:/NHCO!,6^$90:/!OH`-.5 +------------------------------------------------------------------------------ @@ -258,7 +259,7 @@ Cat:biological;EN:Geraniol;MW:154.25;EXA:1 + <30,!8,OH,{2,6}=dr,{2,6}:/_ +------------------------------------------------------------------------------ -Cat:biological;EN:Limonene;MW:136.24;EXA:1 +Cat:biological;EN:Limonene;MW:136.24;EXA:- + <30,?6,2=dl,2:/_,@5,*\,/_,!! +------------------------------------------------------------------------------ @@ -652,7 +653,7 @@ Cat:antibiotics;EN:Ampicillin;MW:349.405;EXA:1 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,/*NH2,!,Ph +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Benzyl-Penicillin;MW:334.4;EXA:1 +Cat:antibiotics;EN:benzyl-Penicillin;MW:334.4;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,!,Ph @@ -733,13 +734,7 @@ Cat:antibiotics;EN:Kanamycin;MW:484.499;EXA:1 <-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\,O,0,?6,-5:O, {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:DihydroStreptmycin;MW:583.574;EXA:- -+ -<54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, - {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!, - @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2 -+------------------------------------------------------------------------------ -Cat:antibiotics;EN:Fradiomycin;MW:614.644;EXA:1 +Cat:antibiotics;EN:Neomycin;MW:614.644;EXA:1 + <30,?6,3:O,2:/*!NH2,1:*/OH,6:/*OH,5:*/NH2, @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15, @@ -752,6 +747,22 @@ Cat:antibiotics;EN:Streptmycin;MW:581.574;EXA:1 @5,\^-48,!!,O,{10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!, @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2 +------------------------------------------------------------------------------ +Cat:antibiotics;EN:dihydro-Streptmycin;MW:583.574;EXA:1 ++ +<54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, + {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!, + @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2 ++------------------------------------------------------------------------------ +Cat:antibiotics;EN:Spectinomycin;MW:332.35;EXA:1 ++ +<30,?6,{3,9}=?6,7=zf,11=wb,{7,10,14}:O,,9^60:*/H,11://O,{1,8^-60}:*/OH,5:/*OH, + 13:/*_,{2,6}:*/NH! ++------------------------------------------------------------------------------ +Cat:antibiotics;EN:Tobramycin;MW:467.51;EXA:1 ++ +<-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\,O,0,?6,-5:O, + {2,4,12}:*/NH2,20:/*NH2,6:*/OH,{11,13,18}:/*OH,10:*/!OH,17:*/!NH2 ++------------------------------------------------------------------------------ Cat:antibiotics;EN:Neospiramycin;MW:698.9;EXA:1 + <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, @@ -848,7 +859,7 @@ Cat:antibiotics;EN:Rifampicin;MW:822.94;EXA:1 %============================================================================== Cat:pesticide;EN:BHC;MW:290.83;EXA:1 + -<30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl +<30,?6,{1,3,4,6}:*/Cl,{2,5}:/*Cl +------------------------------------------------------------------------------ Cat:pesticide;EN:pp-DDT;MW:354.49;EXA:1 + @@ -866,11 +877,11 @@ Cat:pesticide;EN:pp-DDE;MW:318;EXA:- + <30,Ph,6:/Cl,@3,\,/CCl2~dm,!,Ph,-3:/Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:EPN;MW:323.303;EXA:1 +Cat:pesticide;EN:EPN;MW:323.303;EXA:- + <30,!2,O,!,P,//S,/Ph^170,!,O,!,|,Ph,4:/NO2 +------------------------------------------------------------------------------ -Cat:pesticide;EN:XMC;MW:179.2;EXA:1 +Cat:pesticide;EN:XMC;MW:179.2;EXA:- + <30,Ph,{1,5}:/_,@3,\,O,!,//O,!,NH,! +------------------------------------------------------------------------------ @@ -883,7 +894,7 @@ Cat:pesticide;EN:Azaconazole;MW:300.139;EXA:1 + <30,Ph,{4,6}:/Cl,@3,\,!2,?5,{-2,-4}=dl,{-2,-4,-5}:N,@7,?5,{-1,-4}:O +------------------------------------------------------------------------------ -Cat:pesticide;EN:Acetochlor;MW:269.769;EXA:1 +Cat:pesticide;EN:Acetochlor;MW:269.769;EXA:- + <30,Ph,2:/_,4:/!,@3,\,N,!2,O,!2,@7,\,//O,!2,Cl +------------------------------------------------------------------------------ @@ -947,7 +958,7 @@ Cat:pesticide;EN:Ethrimfos;MW:292.29;EXA:- + <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/!,3:/O!2 +------------------------------------------------------------------------------ -Cat:pesticide;EN:Endrin;MW:380.91;EXA:- +Cat:pesticide;EN:Endrin;MW:380.91;EXA:1 + <30,?6`1.3,3=?6,6=dl,9=?3,-1:O, @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl @@ -1945,7 +1956,7 @@ Cat:antibacterial;EN:Levamisole;MW:204.29;EXA:1 + ?5,3=?5,6=dl,2:S,{4,6}:N,@7,\,Ph +------------------------------------------------------------------------------ -Cat:antibacterial;EN:5-(Propylsulphonyl)-1-H-Benzimidazole-2-Amine;MW:0;EXA:- +Cat:antibacterial;EN:5-(Propylsulphonyl)-1-H-Benzimidazole-2-Amine;MW:239.29;EXA:- + <30,Ph,3=?6,8=dl,7:N,9:NH,6:/S!3,8:/NH2 +------------------------------------------------------------------------------ @@ -2009,11 +2020,11 @@ Cat:antibacterial;EN:Difloxacin;MW:399.398;EXA:1 <30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,|,?6,{1,4}:N,4:/_, ||,@7,\,Ph,-3:/F +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:- +Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:1 + <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,3:/O! +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;EXA:- +Cat:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;EXA:1 + <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/Cl +------------------------------------------------------------------------------ @@ -2029,11 +2040,11 @@ Cat:antibacterial;EN:Pirimethamin;MW:248.714;EXA:1 + <30,?6,{1,4}=dl,{1,5}:N,4:/!,6://NH,@3,\,Ph,-3:/Cl +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Oxibendazole;MW:249.27;EXA:1 +Cat:antibacterial;EN:Oxibendazole;MW:249.27;EXA:- + <30,Ph,-4=?5,9=dl,7:NH,9:N,1:/O!3,@8,\,NH,!,COOH +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Oxolinic acid;MW:261.233;EXA:1 +Cat:antibacterial;EN:Oxolinic acid;MW:261.233;EXA:- + <30,Ph,3=?6,6=?5,9=dl,7:N,{11,13}:O,10://O,7:/!,9:/COOH +------------------------------------------------------------------------------ @@ -2077,7 +2088,7 @@ Cat:antibacterial;EN:Famphur;MW:325.3;EXA:- + <-30,!,O,!,P,//S,/O!^160,!,O,!,Ph,@-3,\,SOO,!,N!,! +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Lincomycin;MW:406.54;EXA:1 +Cat:antibacterial;EN:Lincomycin;MW:406.54;EXA:- + <6,?5,5:N,5:*/_,2:*/!2, @3,\*,//O,!,NH,!,!~wb,?6,-1:O,-3:/*OH,{-4,-5}:*/OH,-2:/*S!, -- cgit v1.2.3