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authorNorbert Preining <norbert@preining.info>2021-09-06 03:02:24 +0000
committerNorbert Preining <norbert@preining.info>2021-09-06 03:02:24 +0000
commitb63aa636b82853ca4885c1e90c619cdbcfa72730 (patch)
tree8ea2ed97d414168876296604f0d082b04c0f4d8a /graphics/mcf2graph/mcf_data_base.mcf
parentb1acf2edfe185dad0e33c76ffd94306f1e4530fe (diff)
CTAN sync 202109060302
Diffstat (limited to 'graphics/mcf2graph/mcf_data_base.mcf')
-rw-r--r--graphics/mcf2graph/mcf_data_base.mcf57
1 files changed, 34 insertions, 23 deletions
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!,