texlive[67042] Master/texmf-dist/doc/metapost/mcf2graph: mcf2graph
commits+karl at tug.org
commits+karl at tug.org
Sun May 7 21:25:26 CEST 2023
Revision: 67042
http://tug.org/svn/texlive?view=revision&revision=67042
Author: karl
Date: 2023-05-07 21:25:26 +0200 (Sun, 07 May 2023)
Log Message:
-----------
mcf2graph (7may23)
Modified Paths:
--------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
Added Paths:
-----------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_to_graph.cmd
trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
Removed Paths:
-------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2023-05-07 15:06:34 UTC (rev 67041)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2023-05-07 19:25:26 UTC (rev 67042)
@@ -1,6 +1,26 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2023-01-29
+ Changelog of mcf2graph software package by Akira Yamaji 2023-05-07
*******************************************************************************
+[ver. 5.00 / 2023-05-07]
+ -change syntax of beginfigm()
+ beginfigm() => beginfigm
+ -change command name
+ MC() => cv()
+ mc_check() => checkm()
+ -change library name
+ mcf_library.mcf => main_lib.mcf
+ -add command loadm(),readm(),getm(),putm
+ -delete command mc_query()
+ -delete aux-file output
+ -add MCF template file template_lib.mcf
+ -add batch file mcf_to_graph.cmd
+ >mcf_to_graph template_lib.mcf
+ drag and drop library files on this batch
+ create svg(default) files in ./template_lib
+ -update mcf2graph.mp
+ -update mcf_exa_soc.mp
+ -update MCF manual,example
+
[ver. 4.92 / 2023-01-29]
-change default output
eps => svg
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2023-05-07 15:06:34 UTC (rev 67041)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2023-05-07 19:25:26 UTC (rev 67042)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with MetaPost
Author : Akira Yamaji
- version : 4.92 2023-01-29
+ version : 5.00 2023-05-07
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -15,33 +15,36 @@
It is also able to calculate molecular weight, exact mass, molecular formula.
2. The distribution of software
- (1) README This file
- (2) CHANGELOG Changelog file of mcf2graph
- (3) mcf2graph.mp Main macro of Metapost
- (4) mcf_library.mcf Molecular data library
- (5) mcf_exa_soc.mp Molecular difinition file example
- (6) mcf_manual.tex MCF syntax manual
- (7) mcf_manual.pdf PDF of (6) typeset with LuaLaTeX,makeindex
- (8) mcf_example.tex MCF example
- (9) mcf_example.pdf PDF of (8) typeset with LuaLaTeX
+ ( 1) README This file
+ ( 2) CHANGELOG Changelog file of mcf2graph
+ ( 3) mcf_to_graph.cmd Batch file for compile MCF lib
+ >mcf_to_graph template_lib.mcf
+ drag and drop library files on this batch
+ create svg in ./template_lib
+ ( 4) mcf2graph.mp Main macro of Metapost
+ ( 5) mcf_exa_soc.mp Metapost source file example
+ ( 6) main_lib.mcf MCF library file
+ ( 7) template_lib.mcf Template library file
+ ( 8) template_soc.mp Template metapost source file
+ ( 9) mcf_manual.tex MCF syntax manual
+ (10) mcf_manual.pdf PDF of (8) typeset with LuaLaTeX
+ (11) mcf_example.tex List of Molecule
+ (12) mcf_example.pdf PDF of (10) typeset with LuaLaTeX
3. How to use mcf2graph with MetaPost
Minimum requirement to use mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp
- (1) >mpost filename => output svg file
- (2) >mpost -s ahangle=1 filename => output png file (600dpi)
- (3) >mpost -s ahangle=11 filename => output png file (1200dpi)
- (4) >mpost -s ahangle=2 filename => output eps(.mps) file
- (5) >mpost -s ahangle=3 filename => output eps(.eps) file
- (6) >mpost -s ahlength=1 filename => output information-aux file(for tex)
- (7) >mpost -s ahlength=2 filename => output information-aux file
- (for spread sheet)
- (8) >mpost -s ahlength=3 filename => output library-aux file
- (9) >mpost -s ahlength=5 filename => output mol file(V2000)
- (10) >mpost -s ahlength=6 filename => output mol file(V3000)
- (11) >mpost -s ahlength=7 filename => output report file
+ (1) >mcf_to_graph filename.mcf => output svg(default),png,mol,report
+ (2) >mpost filename.mp => output svg file
+ (3) >mpost -s ahangle=1 filename.mp => output png file (600dpi)
+ (4) >mpost -s ahangle=11 filename.mp => output png file (1200dpi)
+ (5) >mpost -s ahangle=2 filename.mp => output eps(.mps) file
+ (6) >mpost -s ahangle=3 filename.mp => output eps(.eps) file
+ (7) >mpost -s ahlength=5 filename.mp => output mol file(V2000)
+ (8) >mpost -s ahlength=6 filename.mp => output mol file(V3000)
+ (9) >mpost -s ahlength=7 filename.mp => output report file
4. License
- mcf2graph ver 4.92 Copyright (c) 2013-2023 Akira Yamaji
+ mcf2graph ver 5.00 Copyright (c) 2013-2023 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
Added: trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf (rev 0)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf 2023-05-07 19:25:26 UTC (rev 67042)
@@ -0,0 +1,2865 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% molecular library file main_lib.mcf by Akira Yamaji 2023.05.07
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% tag1:var1;tag2:var2;tag3:var3 .....
+% first character of line "%" comment out
+% first character of line ":" start MCF
+% first character of line "=" start parameter setting
+% first character of line "*" start ext(...)
+% first character of line "+" start add(...)
+% first character of line ";" stop MCF
+% CAT = CATegory,EN = Name,MW = Molecular weight
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%==============================================================================
+CAT:-;EN:-;MW:0;EXA:-;
+=
+ sw_frame:=Atom;
+:
+<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+*
+ defaultscale:=.5;
+ label.bot(decimal(fig_num)&":"&EN,(.5w,0));
++
+ defaultscale:=.3;
+ label.bot("A2",A2) withcolor red;
+ label.top("A6",A6) withcolor red;
+ label.top("A9",A9) withcolor red;
+;
+%==============================================================================
+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
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Guanine;MW:151.13;EXA:1
+:
+<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Cytosine;MW:111.10;EXA:1
+:
+<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Thymine;MW:126.11;EXA:1
+:
+<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Uracil;MW:112.09;EXA:1
+:
+<30,?6,6=dl,{3,5}://O,{2,4}:NH
+;
+%== Amino acid ================================================================
+CAT:biological;EN:Glycine;MW:75.07;EXA:-
+:
+<30,NH2,!2,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Glycine;MW:75.07;EXA:-
+:
+<30,NH2,!2,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Alanine;MW:89.10;EXA:-
+:
+<30,NH2,!~wb,?!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Valine;MW:117.15;EXA:-
+:
+<30,NH2,!~wb,/?!,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Leucine;MW:131.16;EXA:1
+:
+<30,NH2,!~wb,/!?!,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Isoleucine;MW:131.16;EXA:-
+:
+<30,NH2,!~wb,/'(/*_,!2),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Serine;MW:105.09;EXA:-
+:
+<30,NH2,!~wb,/!OH,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Threonine;MW:119.12;EXA:-
+:
+<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Cysteine;MW:121.16;EXA:-
+:
+<30,NH2,!~wb,/!SH,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Methionine;MW:149.21;EXA:-
+:
+<30,NH2,!~wb,/'(!2,S,!),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Phenylalanine;MW:165.19;EXA:-
+:
+<30,NH2,!~wb,/!Ph,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Tyrosine;MW:181.19;EXA:-
+:
+<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Triptophan;MW:204.21;EXA:-
+:
+<30,NH2,!~wb,!,COOH, at 2,\,!,<24,|,?5,{2',5}=dl,2=Ph,4:NH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Proline;MW:115.13;EXA:-
+:
+<18,?5,3:NH,4:*/COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Glutamine;MW:146.15;EXA:-
+:
+<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!,//O,!,NH2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Asparagine;MW:132.12;EXA:-
+:
+<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Aspartic acid;MW:133.10;EXA:-
+:
+<30,NH2,!~wb,/!COOH,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Glutamic acid;MW:147.13;EXA:-
+:
+<30,NH2,!~wb,/'(!2,COOH),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Lysine;MW:146.19;EXA:-
+:
+<30,NH2,!~wb,/'(!4,NH2),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Arginine;MW:174.21;EXA:-
+:
+<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!2,NH,!,//NH,!,NH2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Hystidine;MW:155.16;EXA:-
+:
+<30,NH2,!~wb,!,COOH, at 2,\,!,|,?5,{1,3}=dl,3:N,5:NH
+;
+%==============================================================================
+CAT:biological;EN:L-DOPA;MW:197.19;EXA:-
+:
+<30,NH2,!~wb,!,COOH, at 2,\,!,Ph,{-3,-4}:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Ornithine;MW:132.16;EXA:-
+:
+<30,NH2,!~wb,/'(!3,NH2),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Citrulline;MW:175.2;EXA:-
+:
+<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:GABA;MW:103.12;EXA:-
+:
+<30,NH2,!4,COOH
+;
+%==============================================================================
+CAT:biological;EN:Citrate;MW:192.12;EXA:-
+:
+<30,COOH,!,!2`1.2,!,COOH, at -4`1,\,COOH,4:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:cis-Aconitate;MW:174.11;EXA:-
+:
+<30,COOH,!2,!!,!,COOH, at -4`1,\,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Isocitrate;MW:192.12;EXA:-
+:
+<30,COOH,!4,COOH, at -3,\`1,COOH,4:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Oxalosuccinate;MW:190.11;EXA:-
+:
+<30,COOH,!,!2`1.2,//O,!,COOH, at -4,\`1,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:alfa-Ketoglutarate;MW:146.1;EXA:-
+:
+<30,COOH,!3,//O,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Succinate;MW:118.09;EXA:-
+:
+<30,COOH,!3,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Fumarate;MW:116.07;EXA:-
+:
+<30,COOH,!,!!,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Malate;MW:132.07;EXA:-
+:
+<30,COOH,!3,COOH,3:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Oxaloacetate;MW:132.07;EXA:-
+:
+<30,COOH,!,//O,!2,COOH
+;
+%==============================================================================
+CAT:biological;EN:Glucose 1;MW:180.16;EXA:1
+:
+<30,?6,5:O,2:*/OH,{1,3}:/*OH,4:*/*OH,6:*/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Glucose 2;MW:180.16;EXA:1
+:
+<-30,OH,!2,*/OH,!,/*OH,!,/*OH,!,/*OH,!,//O,!,H
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:D-Glucose;MW:180.16;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Fructose 1;MW:180.16;EXA:1
+:
+<30,OH,!2,/*OH,!,*/OH,!,*/OH,!,//O,!2,OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Fructose 2;MW:180.16;EXA:1
+:
+<-18,?5,5:O,1^-48:*/*!OH,1^48:/OH,{2',3}:*/OH,4:/*!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:D-Fluctose;MW:180.16;EXA:1
+:
+Pyranose_hp,#.5,1^$-90:/OH,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:D-Galactose;MW:180.16;EXA:1
+:
+hexose_hp,#.5,{1^$90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:D-Mannose;MW:180.16;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,3^$90,4^$-90}:/OH,6^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:L-Fucose;MW:164.16;EXA:1
+:
+hexose_hp,#.5,{1^$-90,,2^$-90,3^$90,4^$90}:/OH,6^$-90:/_
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:D-Ribose;MW:150.13;EXA:1
+:
+Pyranose_hp,#.5,{2^$-90,3^$-90,4^$90}:/OH,1^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:D-Deoxyribose;MW:134.13;EXA:1
+:
+Pyranose_hp,#.5,{2^$-90,4^$90}:/OH,1^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:D-Glucosamine;MW:179.17;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90:/NH2,6^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:N-acetyl-Glucosamine;MW:221.21;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90>lr:/NHCO!,6^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Glucuronic acid;MW:194.14;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Maltose;MW:342.3;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+ @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0,
+ |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Sucrose;MW:342.3;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+ @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0,
+ |,#1.4,-35~wf_r,35~bd_r`1,30~wb_r,130`1.66,O,&1,##,
+ #.5,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Lactose;MW:342.3;EXA:1
+:
+hexose_hp,#.5,{1^$90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+ @4,$0~arc_ltr,O,$0~arc_lbr,
+ |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Cellobiose;MW:342.3;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+ @4,$0~arc_lbr,O,$0~arc_ltr,
+ |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Trehalose;MW:342.3;EXA:1
+:
+hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+ @4,@(1,0),|,hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+ ||, at 4,$-37~arc_lb`3.25,O,&10~arc_br
+;
+%==============================================================================
+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:-
+:
+<30,?6,2=dl,2:/_, at 5,*\,/_,!!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:l-Menthol;MW:156.27;EXA:1
+:
+<30,?6,2:/*?!,5:*/_,3:*/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Allicin;MW:162.28;EXA:1
+:
+<-30,!!,!2,SO,!,S,!2,!!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Benzoic acid;MW:122.12;EXA:-
+:
+<30,Ph,3:/COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Gallic acid;MW:170.12;EXA:-
+:
+<30,Ph,3:/COOH,{1,5,6}:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Salicylic acid;MW:138.12;EXA:-
+:
+<30,Ph,3:/COOH,4:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Cinnamic acid;MW:148.16;EXA:-
+:
+<30,Ph, at 3,\,!!,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Cinnamaldehyde;MW:132.16;EXA:-
+:
+<30,Ph, at 3,\,!!,!,CHO
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Caffeic acid;MW:180.16;EXA:1
+:
+<30,Ph,{1,6}:/OH, at 3,\,!!,!,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Vanillin;MW:152.15;EXA:1
+:
+<30,Ph,2:/OH,3:/O!,5:/CHO
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Stearic acid;MW:284.48;EXA:1
+:
+<30,!17,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Linoleic acid;MW:280.45;EXA:1
+:
+<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Sphingosine;MW:299.50;EXA:1
+:
+<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Tocopherol;MW:430.717;EXA:1
+:
+<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Thiamine;MW:265.35;EXA:1
+:
+<30,Ph,4:/NH2, at 3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
+ @-3,\^-12,!2,OH,8:p_^72
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Riboflavin;MW:376.37;EXA:1
+:
+<30,Ph,{3,9}=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
+ @10,\`1.5,!,*/OH,!,/*OH,!,*/OH,!2,OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Nicotinic acid;MW:123.11;EXA:1
+:
+<30,Ph,2:N,4:/COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Nicotinamide;MW:122.12;EXA:1
+:
+<30,Ph,2:N,4:/CONH2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Pantothenic acid;MW:219.23;EXA:1
+:
+<30,OH,!8,COOH,3:??,4^35:/*H,4^-20:*/OH,5://O,6:NH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Pyridoxine;MW:169.18;EXA:1
+:
+<30,Ph,2:N,3:/_,4:/OH,{5,6}:/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Biotin;MW:244.31;EXA:1
+:
+<18,?5,4=?5,2:S,{6,8}:NH,7://O,{4^-54,5^54}:*/H,
+ @3,\*^-12,!4,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Folic acid;MW:441.3975;EXA:1
+:
+<30,?6,3=Ph2,1=dl,{2,7,10}:N,6:NH,5://O,1:/NH2,
+ @9,\,!,NH,!,Ph, at -3,\,//O,!,NH,!,/*COOH,!3,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Carotene;MW:536.8726;EXA:1
+:
+<30,?6,4=dl,3:??,5:/_,
+ @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,?6,-6=dl,-5:/_,-1:??
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Adrenalin;MW:183.21;EXA:1
+:
+<30,Ph,{1,6}:/OH, at 4,\,*/OH,!2,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Caffeine;MW:194.194;EXA:1
+:
+<30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Nicotine;MW:162.23;EXA:1
+:
+<30,Ph,2:N, at 4,\,?5,8:N!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Capsaicin;MW:305.418;EXA:1
+:
+<30,Ph,1:/OH,6:/O!, at 4,\,!,NH,!,//O,!7,?!,-3=dl
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Gibberellin A3;MW:346.379;EXA:1
+:
+<18,?5,3=?7,5=?6[12], at 8,160`1.3,&3,13=dl,6=wf,8=wb,
+ @5,40~zf`1,O,50,//O^180,&14~zb,2:/COOH,7://_,{13,8'}:*/OH,14:*/_,{1,4}:*/H^60
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Cholesterol;MW:386.664;EXA:1
+:
+<30,?6,{-4,-2}=?6,-4=?5,7=dl,
+ 1:*/OH,{4,12}:*/_^60,{9'^60,10^180,11^-60,-1^-60}:/*H, at -1,17,/*_,!4,?!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Resveratrol;MW:228.24;EXA:1
+:
+<30,Ph, at 4,\,!!,!,Ph,{2,6,-3}:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Glutathione;MW:307.33;EXA:1
+:
+<-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Trenbolone;MW:270.37;EXA:1
+:
+<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,{9^60,11'^-60}:*/H
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Luciferin;MW:280.33;EXA:1
+:
+<30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Chlorophyll a;MW:893.509;EXA:1
+:
+<-36,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5, at 6,22,70,&8,##,
+ {4,6,8,10,14,16,18,21,23,27}=dl, at 4,\`1.48~vf,Mg,&17~vb, at 11,&27, at 27,&23,
+ {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O,
+ @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Alizarin;MW:240.21;EXA:1
+:
+<30,Ph,3=?6,-3=Ph2,{7,10}://O,{13,14}:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Indigo;MW:262.26;EXA:1
+:
+<30,Ph,3=?5, at -2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:6,6'-dibromoindigo;MW:420.0549;EXA:1
+:
+<30,Ph,3=?5, at -2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O,{1,-2}:/Br
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Carminic Acid;MW:492.39;EXA:1
+:
+<30,Ph,3=?6,-3=Ph2,{7,10}://O,{2,5,6,13}:/OH,11:/_,12:/COOH,
+ @1,\~wb`1,?6,-5:O,{-1,-2',-3}:/*OH,-4:*/!OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Curcumin;MW:368.38;EXA:1
+:
+<30,Ph, at 3,\,!7,Ph,{8,13}=dr,{9,11}://O,{6,-3}:/OH,{5,-4}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Berberine;MW:336.36;EXA:1
+:
+<30,Ph,3=Ph,-3=?6,-2=Ph2,-3=?5,8:N,8:p_^60,{-1,-3}:O,{1>vt,2}:/!OH
+;
+%==============================================================================
+CAT:biological;EN:Apigenin;MW:270.24;EXA:-
+:
+<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14}:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Luteolin;MW:286.24;EXA:-
+:
+<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14,15}:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Flavone;MW:222.24;EXA:1
+:
+<30,Ph,3=?6,9=dl,10:O,7://O,9:/Ph,
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Isoflavone;MW:222.24;EXA:-
+:
+<30,Ph,3=?6,9=dl,10:O,7://O,8:/Ph,
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Flavanone;MW:224.25;EXA:-
+:
+<30,Ph,3=?6,10:O,7://O,9:/Ph,
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Flavonol;MW:238.24;EXA:1
+:
+<30,Ph,3=?6,9=dl,10:O,7://O,8:/OH,9:/Ph,
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Cianidanol;MW:290.27;EXA:1
+:
+<30,Ph,3=?6, at 8,*\,Ph,7:O,{1,5,9~zf,13,14}:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Quercetin;MW:302.24;EXA:1
+:
+<30,Ph,3=?6, at 9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH
+;
+%==============================================================================
+CAT:biological;EN:Limonin;MW:470.518;EXA:1
+:
+<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,{4^60,8'^60}:*/_,18:??,{1^60,5^180,16^60}:/*H,
+ @14,\*,|,?5,{1,4}=dl,3:O
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Cromolyn;MW:468.37;EXA:1
+:
+<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
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Emetine;MW:480.649;EXA:1
+:
+<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,
+ @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Acronycine;MW:321.376;EXA:1
+:
+<30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Piperine;MW:285.343;EXA:1
+:
+<30,Ph,-1=?5,{-1,-3}:O, at 4,\,!!,!,!!,!,//O,!,?6,-6:N
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Febrifugine;MW:301.34;EXA:1
+:
+<30,Ph,3=?6, at 9,8=dl,\,!2,!~zb,?6,{7,9}:N,-5:NH,{10,12}://O,-1:*/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Hypericin;MW:504.44;EXA:1
+:
+<30,Ph,{-4,-3,11--4,16---17,19,23---24,22--29}=?6,
+ {12,14,16,17,22',24,26,28,33,35}=dl,
+ {7,25}://O,{13,26}:/_, {2,6,11,21,23,28}:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Camphor;MW:152.23;EXA:1
+:
+#1,15,-30,90,90,30,##,&1, at 2,0~si_`1.6,&5,{-1^45,-1^-65,5^-45}:/_,4://O
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Sparteine;MW:234.3803;EXA:1
+:
+<30,?6,3=?6,9=wf,10=wb, at 8,#1,60,60,N,60,##,&10,-3=?6,3:N,{4^60,11'^-60}:*/H
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Mitomycine C;MW:334.332;EXA:1
+:
+<30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N,
+ 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,@$9,\,!,O,60,//O,!,NH2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Podophyllotoxin;MW:414.41;EXA:1
+:
+<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^-60,12'^60}:*/H
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Warfarin;MW:308.333;EXA:1
+:
+<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O, at 8,\,/Ph`1,60,!,//O,!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Genistein;MW:270.24;EXA:1
+:
+<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O, at 8,\,Ph,-3:/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Baicalein;MW:270.24;EXA:1
+:
+<30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O, at 8,\,Ph
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Reserpine;MW:608.688;EXA:1
+:
+<54,Ph,-4=?5,{-2,-4,-3}=?6,9=dl,11:N,7:NH,{10'^-60,15^-60,16^60}:/*H,
+ @20,*\,O,!,//O,!,Ph,{-2,-3,-4,1,19~zf>rl}:/O!,18:*/COO!>lr
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Rotenone;MW:394.423;EXA:1
+:
+<-60,?5,{-3,-2,-3,-4}=?6,{3',7,9,17',-2,-4}=dl,
+ {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!, at 1,*\,/_,!!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Pyrethrin I;MW:328.452;EXA:1
+:
+<30,?3,{3^35,3'^-35}:*/_, at 1,*\,!!,?!,
+ @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O, at -2,\,!4,{-1,-3}=dl
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Oseltamivir;MW:312.40;EXA:1
+:
+<30,?6,3=dl,6:*/NH2, at 1,\*,NH,!,//O,!, at 2,*\,O,!,/!,!2, at 4,\,//O,!,O,!2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Paclitaxel;MW:853.918;EXA:1
+:
+?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
+ 4:??,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>rl,12'^-15>lr}:*/OCO!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Mevastatin;MW:390.52;EXA:1
+:
+<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,
+ @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH, at 5,\*,O,60,//O,!,*/_,!2
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Sesamine;MW:354.35;EXA:1
+:
+<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Morphine;MW:285.343;EXA:1
+:
+<30,Ph,{2,-4}=?6,1---12=?5,-1:O,-1=zb,
+ @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Quinine;MW:324.424;EXA:1
+:
+<30,Ph,3=Ph,7:N,6:/O!,
+ @10,\,*/OH,/*H^-60,!,|,?6,2:N,1:*/H^60, at 4,*\,!!, at 2,165~zf,60,&5~zb
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Atoropin;MW:289.375;EXA:1
+:
+<30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1, at 6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Colchicine;MW:399.443;EXA:1
+:
+<30,Ph,{1,2,6}:/O!,{-4,-5}=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Lycorine;MW:287.315;EXA:1
+:
+<30,Ph,{-4,-2}=?6,{6,9--12}=?5,13=dl,8:N,{15,17}:O,
+ {9'^180,10^60}:*/H,{13,14'}:*/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Ibotenic acid;MW:158.113;EXA:1
+:
+<18,?5,4=dl,3:O,2:NH,1://O, at 4,-24,/NH2,!COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Illudin S;MW:264.3;EXA:1
+:
+<30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_,
+ {1^35,8^35}:*/_,{1'^-35,9}:*/OH,8:/*!OH^-35
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Muscarine;MW:174.26;EXA:1
+:
+<18,?5,2:O,1:*/_,5:/*OH, at 3,*\,48,N,??,p_^180,!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Psilocybin;MW:284.248;EXA:1
+:
+<30,Ph,3=?5,8=dl,9:NH, at 2,\,O,-60,P,//O^-45,/OH^45,90,OH, at 7,\,!,-60,N?!
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Tetrodotoxine;MW:319.27;EXA:1
+:
+#1,<60,-90,60,-30`1.15,150,60,&1, at 3,-135,60,-30`1.15,150,&4,
+ @10,\,O,60`1.33,60,&($3)~si_, at 8,-15~si_,O,&12,##,
+ @9,45,-60,OH,1^120://NH,{5~zf^-15,7,9^-75,12,13~zf}:/OH,2:NH,6^180:NH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Aflatoxin B1;MW:312.27;EXA:1
+:
+<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
+ 2:/O!,{8,11}://O,{15^-54,16^54}:*/H
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Aflatoxin B2;MW:314.3;EXA:-
+:
+<30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O,
+ 2:/O!,{8,11}://O,{15^-54,16^54}:*/H
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Aflatoxin G1;MW:328.27;EXA:2
+:
+<30,Ph,6=?6,-2=?6,4=?5,-2=?5,{-2,10}=dl,{7,12,15,18}:O,
+ 2:/O!,{8,11}://O,{16^-54,17^54}:*/H
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Aflatoxin G2;MW:330.29;EXA:-
+:
+<30,Ph,6=?6,-2=?6,4=?5,-2=?5,10=dl,{7,12,15,18}:O,
+ 2:/O!,{8,11}://O,{16^-54,17^54}:*/H
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Aflatoxin M1;MW:328.3;EXA:-
+:
+<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
+ 2:/O!,{8,11}://O,15^-54:*/H,16^54:*/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Aflatoxin M2;MW:330.29;EXA:-
+:
+<30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O,
+ 2:/O!,{8,11}://O,15^-54:*/H,16^54:*/OH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Ochratoxin A;MW:403.813;EXA:1
+:
+<30,Ph, at 4,\,!,/*COOH,!`1.2,NH,!`1.2,//O,!,
+ Ph,-2:/Cl,-5:/OH,-4=?6,-3:O,-2:*/_,-4://O
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Deoxynivalenol;MW:296.32;EXA:1
+:
+<30,?6,3=?6,5=dl,1://O,6:/_,-1:O,{4'^60,-2}:*/H,7^30:*/_, at 7,72`.9,80`1.3,&9,
+ @8,?3,-3=wf_,-1=si_,-1:O,{2,12^18}:/*OH,3:/*!OH^-60`1
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Patulin;MW:154.12;EXA:1
+:
+<30,?6,3=?5,{2,10}=dl,{6,7}:O,5:/OH,8://O
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Citrinin;MW:250.247;EXA:1
+:
+<30,?6,3=?6,{2,5,11}=dl,9:O,1://O,2:/_,{7,8'}:*/_,5:/OH,6:/COOH
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Zearalenone;MW:318.364;EXA:1
+:
+<30,Ph, at 3,#1,\,!5,60,60,!4,&4,##,{1,5,8}=dl,17:O,16:*/_,{1,5}:/OH,{12,18}://O
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Fumonisin B1;MW:721.83;EXA:1
+:
+<30,!19, at 6,*\,O,!,//O,!2,/COOH,!2,COOH, at 7,\*`1.2,O,!,//O,!2,/COOH,!2,COOH,
+ {5,9}:/*_,{11,16,18'}:*/OH,19:/*NH2
+;
+%==============================================================================
+CAT:synthetic;EN:Benzene;MW:78.11;EXA:-
+:
+<30,Ph
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Phenol;MW:94.11;EXA:-
+:
+<30,Ph,3:/OH
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Aniline;MW:93.13;EXA:-
+:
+<30,Ph,3:/NH2
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Picric acid;MW:229.10;EXA:-
+:
+<30,Ph,{1,3,5}:/NO2,2:/OH
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1
+:
+<30,Ph,{1,2,3,4,5,6}:/Ph
+;
+%==============================================================================
+CAT:synthetic;EN:Naphthalene;MW:128.17;EXA:-
+:
+<30,Ph,3=Ph
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Anthracene;MW:178.23;EXA:-
+:
+<30,Ph,{3,6}=Ph
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Phenanthrene;MW:178.23;EXA:-
+:
+<30,Ph,{4,6}=Ph
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Naphthacene;MW:228.3;EXA:-
+:
+<30,Ph,{6,3,-3}=Ph
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Chrysene;MW:228.3;EXA:-
+:
+<30,Ph2,{6,4,-4}=Ph
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Pyrene;MW:202.25;EXA:-
+:
+<30,Ph2,{6,4}=Ph,16---7=?6,-2=dl
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Coronene;MW:300.35;EXA:1
+:
+<30,Ph,{1,11--2,15--3,19--4,23--5,27---7}=?6,{9,12,14,17,20,22,25,28,30}=dl
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Kekulene;MW:600.7;EXA:1
+:
+<30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,-2----5,5---- -4}=?6,
+ {1,5',7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl
+;
+%==============================================================================
+CAT:synthetic;EN:12-Crown-4;MW:176.21;EXA:-
+:
+<-180,O,30,60,60,O,-30,60,60,O,-30,60,60,O,-30,60,&1
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:15-Crown-5;MW:220.26;EXA:2
+:
+<-180,O,48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,&1
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:18-Crown-6;MW:264.32;EXA:1
+:
+<-180,O,60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,&1
+;
+%==============================================================================
+CAT:synthetic;EN:Porphyrin;MW:310.4;EXA:1
+:
+<9,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5,##,
+ {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Sulflower;MW:448.69;EXA:1
+:
+<67.5,?8,{1,3,5,7}=?5, at 11,30`1.15,&12, at 14,30`1.15,&15,
+ @17,30`1.15,&18, at 20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
+ {10,13,16,19,21,22,23,24}:S
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Arsphenamine x5;MW:915.2;EXA:1
+:
+<18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Melamine;MW:126.12;EXA:1
+:
+<30,Ph,{2,4,6}:N,{1,3,5}:/NH2
+;
+%==============================================================================
+CAT:synthetic;EN:Tartrazine;MW:534.3;EXA:1
+:
+<30,Ph,1:/SO3Na, at 4,\,N,!!,N,!,<-12,?5,{-2,-5}=dl,{-2,-3}:N,-1:/COONa,-4:/OH,
+ @-3,-12,Ph,-3:/SO3Na
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Erythrosine;MW:835.9;EXA:1
+:
+<30,Ph,{3,9}=?6,{8,13,16}=dl,10:O,-2://O,{1,5,12,14}:/I, at 7,\,Ph,-1:/COOH,6:/OH
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Sudan red 1;MW:248.28;EXA:1
+:
+<30,Ph,1=Ph,4:/OH, at 3,\,N,!!,N,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Basic blue 1;MW:319.86;EXA:-
+:
+<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_, at 2,@(3.5,1.5),Cl,n_^15
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Disperse violet 1;MW:238.25;EXA:1
+:
+<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2
+;
+%------------------------------------------------------------------------------
+CAT:synthetic;EN:Vat blue 1;MW:262.27;EXA:1
+:
+<30,Ph,3=?5, at 8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O
+;
+%==============================================================================
+CAT:antibiotics;EN:Amoxicillin;MW:365.4042;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,-3:/OH
+;
+%------------------------------------------------------------------------------
+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:Penicillin G;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,!2,Ph
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Penicillin V;MW:350.3895;EXA:1
+:
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH,!,//O,!2,O,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Mecillinam;MW:325.4264;EXA:1
+:
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,N,!!,!,?7,-7:N
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Nafcillin;MW:414.4748;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,-2=Ph,-9:/O!2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Oxacillin;MW:401.4363;EXA:1
+:
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, at -1,-24,Ph
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Cloxacillin;MW:435.8813;EXA:1
+:
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, at -1,-24,Ph,-5:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Dicloxacillin;MW:470.3264;EXA:1
+:
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
+ @-1,-24,Ph,{-1,-5}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Cefalexin;MW:347.3889;EXA:1
+:
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,6:/_,
+ @4,*\^15,NH,!,//O,!,*/NH2,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Cefalonium;MW:458.5107;EXA:1
+:
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15, at 5,\*,//O,!,O,n_^40,
+ @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
+ @6,\,!,|,Ph,1:N,1:p_^180, at 4,\,//O,!,NH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Cefazorin;MW:454.51;EXA:1
+:
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
+ @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
+ @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Cefoperazone;MW:645.67;EXA:1
+:
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
+ @4,*\^15,NH,!,//O,!2,NH,!,//O,!,?6,{-3,-6}:N,{-4,-5}://O,-3:/!,
+ @6,\,!,S,!,?5,{-3,-5}=dl,-1:/_,{-1,-2,-3,-4}:N,
+ @11,\*,Ph,-3:/OH
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Cefquinome;MW:528.6;EXA:1
+:
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15, at 5,\*,//O,!,O,n_^40,
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
+ @6,\,!,Ph,-2=?6,-10:N,-10:p_^180
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Ceftiofur;MW:523.5626;EXA:-
+:
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
+ @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Cefuroxime;MW:424.3852;EXA:1
+:
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O, at 6,\,!,O,!,//O,!,NH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Apramycin;MW:539.58;EXA:1
+:
+<30,?6,-4=?6,{2,10}:O, at 1,\*,O,60~zb,?6, at 9,\*,O,-60~zb,?6,-5:O,
+ {7,13,14',-1',-2}:*/OH,{6',15,17,-3'}:*/NH2,8:*/NH!^-20,
+ -4:*/!OH,{3'^-60,4^60}:*/H
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Gentamycin;MW:477.596;EXA:1
+:
+<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\*,O,0~zb,?6,-5:O,{2,4,20'}:*/NH2,6:*/OH,
+ 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Kanamycin;MW:484.499;EXA:1
+:
+<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
+ {2,4,12}:*/NH2,{6',11,13,18,19',20}:/*OH,10:*/!OH,17:*/!NH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Neomycin;MW:614.644;EXA:1
+:
+<30,?6,3:O,2:/*!NH2,{1,6'}:*/OH,5:*/NH2,
+ @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
+ @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
+ @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,{-2,-3'}:*/OH,-4:/*!NH2>60
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Streptmycin;MW:581.574;EXA:1
+:
+<54,?5,3:O,4:/*_,5:/OH^45, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
+ @5,-48,!!,O,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
+ @17,*\^-18,NH,!,//NH,!,NH2, at 19,*\,NH,!,//NH,!,NH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Streptmycin_H2O;MW:599.574;EXA:-
+:
+<54,?5,3:O,4:/*_,5:/OH^60, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
+ @5,-18,/OH^15,45,OH,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
+ @17,*\^-18,NH,!,//NH,!,NH2, at 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, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
+ {10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
+ @17,*\^-18,NH,!,//NH,!,NH2, at 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,{1,5',8^-60}:*/OH,
+ 13:/*_,{2,6}:*/NH!
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Tobramycin;MW:467.51;EXA:1
+:
+<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
+ {2,4,12,20'}:*/NH2,{6',11,13,18}:/*OH,10:*/!OH,17:*/!NH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Spiramycin;MW:843.1;EXA:1
+:
+<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
+ {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt,
+ @-6,\*^-30,O,!~wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
+ @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
+ @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##,
+ @8,\*,!,!!,O
+;
+%------------------------------------------------------------------------------
+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,##,
+ {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt,
+ @-6,\*^-30,O,!~wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
+ @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-4:*/_,{-1,-3}:/*OH,##,
+ @8,\*,!,!!,O
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Josamycin;MW:827.995;EXA:1
+:
+<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
+ {12,14}=dl,2:O,1:/*_,3://O,10:/*_,6:/*O!>vt,-6:/*OH,
+ @5,\*^-25,O,!,//O,!,
+ @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
+ @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##,
+ @-3,*\,O,60,//O,60,-60,/_,!,
+ @8,\*,!,!!,O
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Leucomycin A5;MW:771.942;EXA:1
+:
+<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
+ {12,14}=dl,2:O,1:/*_,3://O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*OH,
+ @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
+ @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##,
+ @-3,*\,O,60,//O,60,-60,60,
+ @8,\*,!,!!,O
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Erythromycin;MW:733.93;EXA:1
+:
+<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',4,6^-35,8,10',12^35}:/*_,
+ {6^35,11,12^-35}:*/OH,
+ @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
+ @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Emamectine;MW:886.133;EXA:1
+:
+<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60,
+ @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
+ {-1,-3,-7}=dl,-11--(-10)=?6, at -2,?6,-6=wf,-1=zb,-5=dl,
+ {-1,-6}:O,-3:*/_, at -2,\,*/_,!2,
+ 17:/_,19:/*_, at 18,\,O,!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##,
+ @-3,\,O,60,?6`.7,-5:O,#.5,-4:*/_,-3:/*NH!,-2:*/O!
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Spinosad;MW:731.968;EXA:2
+:
+<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
+ 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,
+ {-1^35,-2'^-60}:*/H,-2=?5,2:O,{3^25,7^-25}://O,1:*/!,
+ @-2,\*,O,66~zb,?6`.7,-1:O,#.5,-2:*/_,{-3',-4,-5}:*/O!,8:*/_,5^-65:*/H,##,
+ @9,\*,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,4:*/N?!
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Natamycin;MW:665.733;EXA:1
+:
+<-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60,
+ 60,60,-60,60,-60,60,-60,60,60,-60,&1,##,12--13=?6,
+ {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH,
+ 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH,
+ @10,*\^15,O,90,?6`.7,-1:O,#.5,{-3,-5'}:*/OH,-4:/*NH2,-2:/*_
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Tylocin;MW:916.10;EXA:1
+:
+<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
+ {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_,
+ @-1,*\,-60,O,0~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/*O!,##,
+ @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
+ @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##,
+ @8,\*,!,!!,O
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Tilmicosin;MW:869.133;EXA:1
+:
+<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
+ {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_,
+ @-1,*\,-60,O,0~zb,?6`.7,-5:O,#.5,{-1,-2}:*/O!,-3:*/OH,-4:/*_,##,
+ @7,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,{-1,-3}:/*OH,-4:*/_,##,
+ @8,\*,!2,?6`.7,-6:N,#.5,{-2,-4}:*/_
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Mirosamicin;MW:727.8791;EXA:1
+:
+<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
+ @8,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
+ {5,13}=dl,15=?3,-2=wf,-1=wb,-1:O,3:O,2:/*!,{4,12}://O,{7,9,11'}:*/_,1:/*OH^-80,
+ @1,*\,!,O,!~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Chlortetracyclin;MW:478.88;EXA:1
+:
+<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl,
+ {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Oxytetracyclin;MW:460.434;EXA:1
+:
+<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH,
+ {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Tetracyclin;MW:444.435;EXA:1
+:
+<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,
+ {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Doxycyclin;MW:444.43;EXA:1
+:
+<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_,
+ {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!, at 17,\,//O,!,NH2
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Tiamulin;MW:493.74;EXA:1
+:
+<-45.5,?8,-3=?5, at 8,#.8,-210~zf,/_^60,45,56,##,&6~zb,
+ {3^-45,5,8}:*/_, at 3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60,
+ @1,15,O,!,//O,!2,S,60,60,-60,N!2,60,-60
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Rifampicin;MW:822.94;EXA:2
+:
+<30,Ph,6:/_^30,5:/OH,-6=?5,-3:O,-8=?6,{-2,-4}=dl,{-1,-4}:/OH,
+ #1, at -2,\,NH,60,-60,60~dl,60,60~dl,-60,
+ 60,-60,60,60,-60,60,-53,66,-53~dl,66`1.2,O,##,&$8,
+ ||,{9,15}://O,16:/_,{20,24^30}:*/_,{21,23}:/*OH,{8^60,22,26^30}:/*_,
+ -4:/*O!, at -6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N!
+;
+%==============================================================================
+CAT:pesticide;EN:BHC;MW:290.83;EXA:-
+:
+<30,?6,{1,2',3,4,5',6}:*/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:pp-DDT;MW:354.49;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,/CCl3,!,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:op-DDT;MW:354.49;EXA:-
+:
+<30,Ph,4:/Cl, at 3,\,/CCl3,!,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:pp-DDD;MW:320;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,/CCl2,!,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:pp-DDE;MW:318;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,//CCl2,!,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:EPN;MW:323.303;EXA:-
+:
+<30,!2,O,!,P,//S,/Ph^170,!,O,!,Ph,-3:/NO2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:XMC;MW:179.2;EXA:-
+:
+<30,Ph,{1,5}:/_, at 3,\,O,!,//O,!,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Acrinathrin;MW:541.45;EXA:1
+:
+<-30,?3,{2^-35,2'^35}:*/_,
+ @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3, at 3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Azaconazole;MW:300.139;EXA:-
+:
+<30,Ph,{4,6}:/Cl, at 3,\,!2,?5,{-2,-4}=dl,{-2,-4,-5}:N, at 7,?5,{-1,-4}:O
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Acetochlor;MW:269.769;EXA:-
+:
+<30,Ph,2:/_,4:/!, at 3,\,N,!2,O,!2, at 7,\,//O,!2,Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Atrazine;MW:215.7;EXA:-
+:
+<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2, at 3,\,NH,!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Anilofos;MW:367.9;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,N,/?!,!,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Alachrol;MW:269.8;EXA:-
+:
+<-30,!,O,!2,N,!,//O,!2,Cl, at 4,\,|,Ph,{2,6}:/!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Isazofos;MW:313.74;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?5,{2,5}=dl,{2,4,5}:N,4:/Cl,3:/?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Isoprcarb;MW:193.246;EXA:-
+:
+<30,Ph,2:/?!, at 3,\,O,!,//O,!,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Isoprothiolane;MW:290.4;EXA:-
+:
+<30,!?!,O,!,//O,!2,//O,!,O,!?!, at 5,\\,|,?5,{2,5}:S
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Iprobenfos;MW:288.34;EXA:-
+:
+<30,!?!,O,!,P,//O,/O!?!^170,!,S,!2,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Uninnazole-P;MW:291.779;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,!~dl,!,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Esprocarb;MW:265.4;EXA:-
+:
+<30,Ph, at 3,\,!,S,!,//O,!,N,/!,!,/?!,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Ethalfluralin;MW:333.3;EXA:-
+:
+<30,Ph,{1,3}:/NO2,5:/CF3, at 2,\`1.1,/!,N,!2,/_,!!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Ethion;MW:384.46;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,S,!,P,//S,/O!2^200>lr,!,O,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Edifenphos;MW:310.37;EXA:-
+:
+<30,Ph, at 3,\,O,!,P,//S,/O!2>rl^160,!,S,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Ethofenprox;MW:376.5;EXA:-
+:
+<30,Ph, at 5,\,O,!,Ph, at 10,\,O,!3,??,!,Ph,-3:/O!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Ethoprophos;MW:242.33;EXA:-
+:
+<-30,!3,S,!,P,//O,/S!3^160>rl,!,O,!2
+;
+%------------------------------------------------------------------------------
+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:-
+:
+<30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
+ @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Oxadiazon;MW:345.2;EXA:-
+:
+<30,Ph,{4,6}:/Cl,1:/O!?!, at 3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Oxadixyl;MW:278.3;EXA:-
+:
+<30,Ph,{2,4}:/_, at 3,\,N,!1,//O,!2,O,!, at 7,\,|,?5,1:N,2:O,5://O
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Oxyfluorfen;MW:361.701;EXA:-
+:
+<30,Ph,6:/CF3,4:/Cl, at 3,\,O,!,Ph,-3:/NO2, at -4,\,O,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cadusafos;MW:270.386;EXA:-
+:
+<-30,!2,?!,S,!,P,//O,/O!2^160>rl,!,S,!?,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cafenstrole;MW:350.4;EXA:-
+:
+<30,Ph,{2,4,6}:/_, at 3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N, at -2,\,//O,!,N,/!,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Carfentrazone-ethyl;MW:412.19;EXA:-
+:
+<30,Ph,4:/F,6:/Cl, at 1,\,!,/Cl,!,//O,!,O,!2,
+ @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Carboxin;MW:235.301;EXA:-
+:
+<30,?6,3=dl,2:S,5:O,4:/_, at 3,\,//O,!,NH,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Quinalphos;MW:298.30;EXA:-
+:
+<30,!,O,!2,P,//S,/O!2^160>rl,!,O,!,|,Ph,3=Ph,{2,5}:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Quinoxyfen;MW:308.13;EXA:-
+:
+<30,Ph,4=Ph,10:N,{2,6}:/Cl, at 7,\,O,!,|,Ph,4:/F
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Quitozene;MW:295.3;EXA:-
+:
+<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:-
+:
+<30,Ph, at 3,\,/COO!,!!,N,!,O,!, at 4,\,!,O,!,Ph,-1:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Clomazone;MW:239.7;EXA:-
+:
+<30,Ph,2:/Cl, at 3,\,!,|,?5,1:N,2:O,-2:??,-1://O
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorpyrifos;MW:350.59;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,6:N,{2,4,5}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorpyrifos-methyl;MW:322.53;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160>rl,!,O,!,|,Ph,6:N,{2,4,5}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorfenapyr;MW:407.62;EXA:-
+:
+<18,?5,3=dl,5=dl,2:N,4:/CN,5:/Br,1:/CF3, at 2,\,!,O,!2, at 3,\,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorfenson;MW:303.153;EXA:-
+:
+<30,Ph, at 3,\,O,!,SOO,!,Ph,{6,12}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorfenvinphos;MW:359.58;EXA:-
+:
+<30,!2,O,!,P,//O,/O!2^160>rl,!,O,!,!!,!,Cl, at 6,\`1,|,Ph,{2,4}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorpropham;MW:213.7;EXA:-
+:
+<30,Ph,6:/Cl, at 4,\,NH,!,//O,!,O,!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorbenside;MW:269.183;EXA:-
+:
+<30,Ph, at 3,\,S,!2,Ph,{6,12}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorobenzilate;MW:325.2;EXA:-
+:
+<30,Ph, at 3,\,/OH^-35,/COO!2^30>lr,!,Ph,{6,11}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chlorantraniliprole;MW:483.15;EXA:-
+:
+<30,Ph, at 5,\,//O,60,NH,!, at 4,\,NH,!,//O,!,<24,?5,{-1,-3}=db,{-3,-4}:N,-2:/Br,
+ @-4,24,Ph,-5:N,-1:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Azoxystrobin;MW:403.4;EXA:-
+:
+<30,Ph,2:/OH, at 3,\,O,!,Ph,{-1,-3}:N, at -4,\,O,!,Ph, at -5,\,/O!,!,//O,!,O!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Thiuram;MW:240.43;EXA:-
+:
+<30,!,N!,!,//S,!,S,!,S,!,//S,!,N!,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Probenazole;MW:223.25;EXA:-
+:
+<12,Ph,3=?5,9=dl,7:S,8:N,{7^35,7^-35}://O, at 9,\,O,!2,!!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Penflufen;MW:317.41;EXA:-
+:
+<30,Ph, at 3,\,NH,!,//O,!,?5,{-1,-4}=db,{-2,-3}:N,{-2,-4}:/_,-1:/F, at 4,\,/_,60,!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:MCPA;MW:200.62;EXA:-
+:
+<30,Ph,1:/Cl,5:/_, at 4,\,O,!2,COOH
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Asulam;MW:230.2;EXA:-
+:
+<30,Ph, at 3,\,SOO,!,NH,!,//O,!,O!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Imazasulfuron;MW:412.81;EXA:-
+:
+<-11.8,?6,3=?5,{1,5,7,9}=db,-3:N,8:/Cl,
+ @-1,\,SOO,!,NH,!,//O,!,NH,!,Ph,{-1,-5}:N,{-2,-4}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Triaziflam;MW:333.4;EXA:-
+:,
+<30,Ph,{2,6}:/_, at 4,\,O,!2,?!,NH,!,Ph,{-1,-3,-5}:N,-2:/NH2, at -4,\,??,!,F
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Trichlopyr;MW:256.47;EXA:-
+:,
+<30,Ph,2:N,{1,4,6}:/Cl, at 3,\,O,!2,COOH
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Halosulfuron-methyl;MW:434.82;EXA:-
+:,
+<6,?5,{3,5}=db,{1,2}:N,2:/_,5:/Cl, at 3,\,SOO,!,NH,!,//O,!,NH,!,Ph,{-2,-4}:/O!,
+ @4,\,//O,!,O,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Flupoxam;MW:460.8;EXA:2
+:
+<30,Ph,4:/Cl, at 1,\,?5,{-2,-4}=db,{-2,-4,-5}:N,-1:/Ph, at -3,\,//O,!,NH2,
+ @3,\,!,O,!2,/F^35,/F^-35,!,CF3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyanazine;MW:240.7;EXA:-
+:
+<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2, at 3,\,NH,!,??,!,CN
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyanophos;MW:243.22;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,4:/CN
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Diethofencarb;MW:267.3;EXA:-
+:
+<30,Ph, at 4,\,NH,!,//O,!,O,!?!,{1,6}:/O!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dichlofenthion;MW:315.2;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{2,4}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Diclofop-methyl;MW:341.2;EXA:-
+:
+<30,Ph,{4,6}:/Cl, at 3,\,O,!,Ph, at -4,\,O,!?!,COO!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyhalothrin;MW:449.86;EXA:-
+:
+<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!~dl,/CF3,!,Cl,
+ @3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;EXA:-
+:
+<30,Ph,1:/CN,4:/F, at 3,\,O,!,|,Ph, at -3,\,O,!?!,//O,!,O,!4
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Diphenamid;MW:239.3;EXA:-
+:
+<30,Ph, at 3,\,!,Ph, at -5,\,//O,!,N,?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyfluthrin;MW:434.3;EXA:-
+:
+<-30,?3,{2^-35,2'^35}:*/_,
+ @1,\,!~dl,/Cl,!,Cl, at 3,\,//O,!,O,!,/CN,!,Ph,-3:/F,-4:/OPh>rl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Diflufenican;MW:394.29;EXA:-
+:
+<30,Ph,{1,5}:/F, at 4,\,NH,!,//O,!,Ph,6:N, at -5,\,O,!,Ph,-3:/CF3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyproconazole;MW:291.8;EXA:-
+:
+<30,?3, at 2,\,?!,/OH^30,-90,!,|,<-18,?5,{2,4}=dl,{1,3,5}:N,@$5,-30,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cypermethrin;MW:416.3;EXA:-
+:
+<-30,?3,{2^-35,2'^35}:*/_,
+ @1,\,!~dl,/Cl,!,Cl, at 3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Simazine;MW:201.7;EXA:-
+:
+<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dimethametryn;MW:255.4;EXA:-
+:
+<30,Ph,{2,4,6}:N,5:/S!,1:/NH!2, at 3,\,NH,!?!,?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dimethylvinphos;MW:331.52;EXA:-
+:
+<-30,!,O,!,P,//O,/O!^160,!,O,!,!~dl,!,Cl, at 5,\`1,Ph,{-5,-3}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dimethenamid;MW:275.8;EXA:-
+:
+<-6,?5,{3,5}=dl,2:S,{3,5}:/_, at 4,\,N,!,//O,!2,Cl, at 6,\,?!2,O,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dimethoate;MW:229.25;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Simetryn;MW:213.3;EXA:-
+:
+<30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dimepiperate;MW:263.4;EXA:-
+:
+<30,Ph, at 3,\,??,!,S,!,//O,!,|,?6,1:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Diazinon;MW:304.35;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{4,6}:N,5:/_,3:/?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Thiobencarb;MW:257.776;EXA:-
+:
+<30,Ph,1:/Cl, at 4,\,!,S,!,//O,!,N,/!,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Thiometon;MW:246.34;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,S,!3,S,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Thifluzamide;MW:528.08;EXA:-
+:
+<-12,?5,{3,5}=dl,2:S,5:N,3:/CF3,1:/_,
+ @4,\,//O,!,NH,!,<6,|,Ph,{2,6}:/Br, at -3,\,O,!,CF3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dieldrin;MW:380.895;EXA:-
+:
+<30,?6`1.2,3=?6,6=dl,9=?3,-1:O, at 2,148~wf`1.4,&5~wb,
+ @7,*\^145`1.3,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Aldrin;MW:364.908;EXA:-
+:
+<30,?6`1.3,3=?6,{6,9}=dl,
+ @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,11^-210,11^-150}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tecnazene;MW:260.879;EXA:-
+:
+<30,Ph,{1,3,4,6}:/Cl,5:/NO2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tetrachlorvinfos;MW:365.97;EXA:-
+:
+<-30,!,O,!,P,//O,/O!^160,!,O,!,!!,!,Cl, at 5,\`1,|,Ph,{2,4,5}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tetraconazole;MW:372.14;EXA:-
+:
+<-6,?5,{2,5}=dl,{1,2,4}:N, at 4,\,!3,O,!,/F^35,/F^-35,!,CF2, at 7,\,|,Ph,{4,6}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tetradifon;MW:356.038;EXA:-
+:
+<30,Ph, at 3,\,SOO,!,Ph,{6,10,11,13}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Thenylchlor;MW:323.835;EXA:-
+:
+<6,?5,{2,5}=dl,4:S,2:/O!, at 3,\,!,N,!,//O,!2,Cl, at 7,-15,Ph,{-1,-5}:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tebuconazole;MW:307.8;EXA:-
+:
+<36,?5,{1,4}=dl,{1,3,5}:N, at 3,30,!4,Ph,-3:/Cl,7^-30:/??!,7^30:/OH
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tebufenpyrad;MW:333.86;EXA:-
+:
+<6,?5,{3,5}=dl,{1,2}:N,4:/Cl,5:/!,2:/_, at 3,\,//O,!,NH,!2,Ph,-3:/??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tefluthrin;MW:418.736;EXA:-
+:
+<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!!,/CF3,!,Cl,
+ @3,\,//O,!,O,!2,|,Ph,{2,3,5,6}:/F,4:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Terbutryn;MW:241.4;EXA:-
+:
+<30,Ph,{2,4,6}:N,5:/S!,1:/NH!2, at 3,\,NH,!,??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Terbufos;MW:288.42;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,S,!,??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Triadimefon;MW:293.8;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,O,!2,//O,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Triazophos;MW:313.31;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,<-12,|,?5,{2,5}=dl,{2,4,5}:N,4:/Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Triallate;MW:304.7;EXA:-
+:
+<-30,!?!,N,/?!,!,//O,!,S,!2,/Cl,!!,/Cl,!,Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tribufos;MW:314.50;EXA:-
+:
+<30,!4,S,!,P,//O,/'(S,!4)^160>rl,!,S,!4
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tolclofos-methyl;MW:301.13;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,6}:/Cl,4:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Trifluralin;MW:335.3;EXA:-
+:
+<30,Ph,{1,3}:/NO2,5:/CF3, at 2,\,N,/!2,!3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Napropamide;MW:271.4;EXA:-
+:
+<-30,Ph,4=Ph, at 10,\,O,!,??,!,//O,!,N,/!,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Nitrothal-isopropyl;MW:295.3;EXA:-
+:
+<30,Ph,5:/NO2, at 1,\,//O,!,O,!?!, at 3,\,//O,!,O,!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Norflurazon;MW:303.7;EXA:-
+:
+<30,?6,{1,5}=dl,{4,5}:N,1:/NH!,3://O,2:/Cl, at 4,\,Ph,-4:/CF3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Paclobutrazole;MW:293.795;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,!2,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Picolinafen;MW:376.331;EXA:-
+:
+<30,Ph,5:/CF3, at 3,\,O,!,|,|,Ph,2:N, at 3,\,//O,!,NH,!,|,Ph,4:/F
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bitertanol;MW:337.4;EXA:-
+:
+<30,Ph, at 3,\,Ph, at -3,\,O,!2,/OH,!,??!, at 14,\,|,?5,{2,4}=dl,{1,2,4}:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bifenox;MW:342.14;EXA:-
+:
+<30,Ph,{4,6}:/Cl, at 3,\,O,!,Ph,-4:/COO!,-3:/NO2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bifenthrin;MW:422.88;EXA:-
+:
+<-30,?3,{2^-35,2'^35}:*/_,
+ @1,\,!~dl,/Cl,!,CF3, at 3,\,//O,!,O,!,-60,Ph,-1:/_,-2:/Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Piperophos;MW:353.48;EXA:-
+:
+<-30,!3,O,!,P,//S,/O!?!^160>rl,!,S,!2,//O,!,|,?6,1:N,6:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyraclofos;MW:360.80;EXA:-
+:
+<30,!2,O,!,P,//O,/S!3^160>rl,!,O,!,
+ <-12,|,?5,{1,4}=dl,{3,4}:N, at -3,-12,|,Ph,4:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyrazophos;MW:373.37;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,
+ |,?5,3=?6,{2,5,7,9}=dl,{4,5,6}:N,7:/_,-2:/COO!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyraflufen-ethyl;MW:413.174;EXA:-
+:
+<30,Ph,6:/Cl,4:/F, at 3,\,|,?5,{1,4}=dl,{2,3}:N,-3:/_,5:/Cl,
+ @-2,\,O,!,/F,!,F,@$1,\,O,!2,//O,!,O,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyridaben;MW:364.9;EXA:-
+:
+<30,?6,{2,4}=dl,{5,6}:N,6:/??!,1://O,2:/Cl, at -4,\,S,!2,|,Ph,4:/??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyridaphenthion;MW:340.34;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyributicarb;MW:330.4;EXA:-
+:
+<30,Ph,5:/??!, at 3,\,//O,!,S,!,N,?!,|,Ph,2:N,3:/O!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyriproxyfen;MW:321.5;EXA:-
+:
+<30,Ph, at 5,\,O,!,Ph, at -3,\,O,!2,?!,O,-60,|,Ph,2:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:-
+:
+<30,Ph,2:/OCO!, at 5,\,/_,!!,N,!,O,!, at 3,\,O,!,|,Ph,{2,6}:N,{3,5}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pirimiphos-methyl;MW:305.333;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/_, at -4,\,N,/!,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyrimethanil;MW:199.257;EXA:-
+:
+<30,Ph, at 3,\,NH,!,|,Ph,{2,6}:N,{3,5}:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyroquilon;MW:173.2;EXA:-
+:
+<30,Ph,3=?6,10:N,9://O,11--4=?5
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Vinclozolin;MW:286.108;EXA:-
+:
+<36,?5,3:N,5:O,{2,4}://O,1:/_^54, at 1,-30,!!, at 3,\,|,Ph,{3,5}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fipronil;MW:437.2;EXA:-
+:
+<30,Ph,{2,4}:/Cl,6:/CF3, at 3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,
+ @-2,\,S,//O,!,CF3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenomiphos;MW:303.36;EXA:-
+:
+<30,!2,O,!,P,//O,/NH!?!^160,!,O,!,|,Ph,3:/_,4:/S!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenarimol;MW:331.2;EXA:-
+:
+<30,Ph, at 3,\,!,Ph,{4,11}:/Cl,7:/OH^30, at 7,-30,|,Ph,{3,5}:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenitrothion;MW:277.23;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenothiocarb;MW:253.4;EXA:-
+:
+<30,Ph, at 3,\,O,!5,S,!,//O,!,N,?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fensulfothion;MW:308.35;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph, at -3,\,S,//O,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenthion;MW:278.33;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,4:/S!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Phenthoate;MW:320.358;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,S,!,/Ph,!,//O,!,O,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenvalerate;MW:419.91;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,/?!,!,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenpropathrin;MW:349.4;EXA:-
+:
+<-30,?3,{1^35,2^-35}:*/_,{1^-35,2^35}:/*_,
+ @3,\,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenpropimorph;MW:303.49;EXA:-
+:
+<30,?6,3:N,6:O,{1,5}:*/_, at 3,\,!?,!2,|,Ph,4:/??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Phthalide;MW:271.9;EXA:-
+:
+<30,Ph,3=?5,8:O,9://O,{1,2,5,6}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Butachlor;MW:311.85;EXA:-
+:
+<30,!4,O,!2,N,!,//O,!2,Cl, at 7,\,Ph,{-1,-5}:/!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Butamifos;MW:332.36;EXA:-
+:
+<-30,!2,?!,NH,!,P,//S,/O!2^170>rl,!,O,!,|,Ph,2:/NO2,5:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bupirimate;MW:316.42;EXA:-
+:
+<30,Ph,{4,6}:N,1:/_, at 3,\,O,!,SOO,!,N,?!,2:/!3, at 5,\,NH,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Buprofezin;MW:305.4;EXA:-
+:
+<-30,?6,{1,5}:N,1:/Ph,3:S,6://O,5:/?!, at 4,\~dm,N,!,??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Flamprop-methyl;MW:335.8;EXA:-
+:
+<30,Ph,1:/Cl,6:/F, at 3,\,N,!?!,//O,!,O,!, at 7,\,//O,-60,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fluacrypyrim;MW:426.392;EXA:-
+:
+<30,Ph,{4,6}:N,1:/CF3,5:/O!?!, at 3,\,O,!2,Ph, at -1,\,|,!!,!,O,!,1:/COO!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fluquinconazole;MW:376.2;EXA:-
+:
+<30,Ph,3=?6,8=dl,{7,9}:N,6:/F,10://O, at 8,\,
+ |,?5,{2,4}=dl,{1,3,5}:N,@$9,\,|,Ph,{4,6}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fludioxonil;MW:248.2;EXA:-
+:
+<30,Ph,5=?5,{7,9}:O,{8^-40,8^40}:/F, at 4,\,|,?5,{2,5}=dl,-2:NH,-4:/CN
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Flucythrinate;MW:451.5;EXA:-
+:
+<30,Ph, at 6,\,O,!,/F,!,F, at 3,\,/?!,!,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Flutolanil;MW:323.3;EXA:-
+:
+<30,Ph,2:/CF3, at 3,\,//O,!,NH,!,Ph,-1:/O!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fluvalinate;MW:502.92;EXA:-
+:
+<30,Ph,5:/Cl,1:/CF3, at 4,\,NH,!,/?!,!,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Flumioxazin;MW:354.337;EXA:-
+:
+<30,Ph,6:/F,3=?6,-1:O,-4:N,-3://O, at -4,\,!,!!!,
+ @1,\,|,?5,3=?6,3=dr,1:N,{2,5}://O
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pretilachlor;MW:311.85;EXA:-
+:
+<30,Ph,{2,4}:/!, at 3,\,N,!3,O,!3,@$7,\,//O,!2,Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Procymidone;MW:284.136;EXA:-
+:
+?6,1:N, at 3,&5,{2,6}://O,{3,5}:/_, at 1,\,|,Ph,{3,5}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Prothyophos;MW:329.18;EXA:-
+:
+<-30,!3,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{2,4}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Propachlor;MW:211.689;EXA:-
+:
+<30,Ph, at 3,\,N,/?!,!,//O,!2,Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Propazine;MW:229.7;EXA:-
+:
+<30,Ph,{2,4,6}:N,5:/Cl,{1,3}:/NH!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Propanil;MW:218.077;EXA:-
+:
+<30,Ph,{1,6}:/Cl, at 3,\,NH,!,//O,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Propaphos;MW:304.343;EXA:-
+:
+<-30,!3,O,!,P,//O,/O!3^160>rl,!,O,!,|,Ph,4:/S!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Propyzamide;MW:256.1;EXA:-
+:
+<30,Ph,{1,5}:/Cl, at 3,\,//O,!,NH,!,??,!,!!!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Propiconazole;MW:342.22;EXA:-
+:
+<30,Ph,{4,6}:/Cl, at 3,\,!2,|,?5,{2,4}=dl,{1,2,4}:N,@$7,?5,{-1,-4}:O,-3:/!2^-15
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Prohydrojasmon;MW:254.37;EXA:-
+:
+<18,?5,2://O,3:*\^-12,!4, at 4,\*,!,//O,!,O,!3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Profenofos;MW:373.6;EXA:-
+:
+<30,!2,O,!,P,//S,/O!3^160>rl,!,O,!,|,Ph,2:/Cl,4:/Br
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bromacil;MW:261.119;EXA:-
+:
+<30,?6,6=dl,3:N,1:/Br,{2,4}://O,5:NH,6:/_,3:/?!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Prometryn;MW:241.4;EXA:-
+:
+<30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bromobutide;MW:312.2;EXA:-
+:
+<30,Ph, at 3,\,??,!,NH,!,//O,!,/Br,!,??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bromophos;MW:365.99;EXA:-
+:
+<-30,!,O,!, P,//S,/O!^160,!,O,!,|,Ph,{3,6}:/Cl,4:/Br
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bromopropylate;MW:428.12;EXA:-
+:
+<30,Ph, at 3,\,!,Ph,{6,11}:/Br,7:/OH^-45, at 7,30,//O,!,O,-60,?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Hexaconazole;MW:314.2;EXA:-
+:
+<36,?5,{1,4}=dl,{1,3,5}:N, at 3,30,!5,-4^30:/OH, at -5,-30,|,Ph,{4,6}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Hexazinone;MW:252.31;EXA:-
+:
+<30,?6,3=dl,{2,4,6}:N,2:/_,{1,5}://O,6:/?6,3:/N?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Benalaxyl;MW:325.4;EXA:-
+:
+<30,Ph, at 3,\,!,//O,!,N,!?!,//O,!,O,!, at -5,\,|,Ph,{2,6}:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Benoxacor;MW:260.1;EXA:-
+:
+<90,Ph,3=?6,7:N,10:O,8:/_, at 7,\,//O,!,/Cl,!,Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Heptachlor;MW:373.35;EXA:-
+:
+<30,?6`1.3,3=?5,{6,8}=dl, at 2,210~wf`1.5,&5~wb,{1,2,5,6,9,10^-210,10^-150}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Permethrin;MW:391.30;EXA:-
+:
+<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!~dl,/Cl,!,Cl,
+ @3,\,//O,!,O,!2,Ph, at -4,\,O,-60,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Penconazole;MW:284.184;EXA:-
+:
+<30,Ph,{4,6}:/Cl, at 3,\,/!2,!2,|,<30,?5,{2,4}=dl,{1,2,4}:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pendimethalin;MW:281.3;EXA:-
+:
+<30,Ph,{3,5}:/NO2,{1,2}:/_, at 4,\,NH,!?,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Benfluralin;MW:335.3;EXA:-
+:
+<30,Ph,{1,3}:/NO2,5:/CF3, at 2,\,N,/!,!4
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Benfuresate;MW:256.3;EXA:-
+:
+<30,Ph,3=?5,7:O,9:??, at 6,\,O,!,SOO,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bensulide;MW:397.5;EXA:-
+:
+<30,!?!,O,!,P,//S,/O!?!^160>rl,!,S,!3,NH,!,SOO,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Phosalone;MW:367.80;EXA:-
+:
+<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,|,?5,4=Ph,4=dr,1:N,2://O,3:O,8:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Phosmet;MW:317.32;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?5,3=Ph2,1:N,{2,5}://O
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Phorate;MW:260.4;EXA:-
+:
+<30,!2,O,!,P,//S,!,S,!2,S,!2,4^160>rl:/O!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Malathion;MW:330.35;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,O,!2, at 5,\`1,!,//O,!,O,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Myclobutanil;MW:288.8;EXA:-
+:
+<36,?5,{1,4}=dl,{1,3,5}:N, at 3,30,!5,7:/CN^30, at 7,-30,|,Ph,4:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Methidathion;MW:302.32;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?5,4=dl,{1,5}:N,3:S,2://O,4:/O!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Methoxychlor;MW:345.644;EXA:-
+:
+<30,Ph, at 3,\,!,Ph,{6,11}:/O!,7:/CCl3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Metolachlor;MW:283.8;EXA:-
+:
+<30,Ph,5:/!,3:/_, at 4,\,N,!,//O,!2,Cl, at 7,\,?!2,O,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Mevinphos;MW:224.15;EXA:-
+:
+<-30,!,O,!,P,//O,/O!^160,!,O,!?,!!,!,//O,!,O,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Mefenacet;MW:298.4;EXA:-
+:
+<12,Ph,3=?5,9=dl,9:N,7:S, at 8,\,O,!2,//O,!,N,?!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Mefenpyr-diethyl;MW:373.23;EXA:-
+:
+<18,?5,5=dl,{4,5}:N,3^65:/_,{1^12,3^-12}:/COO!2, at 4,-24,|,Ph,{4,6}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Mepronil;MW:269.3;EXA:-
+:
+<30,Ph,2:/_, at 3,\,//O,!,NH,!,|,Ph,5:/O!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Molinate;MW:187.3;EXA:-
+:
+<47,?7,3:N, at 3,\,//O,!,S,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Resmethrin;MW:338.4;EXA:-
+:
+<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!!,?!, at 3,\,//O,!,O,!2,
+ |,?5,{3,5}=dl,2:O, at 3,\,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Lenacil;MW:234.3;EXA:-
+:
+<30,?6,3=?5,3=dl,6:N,2:NH,{1,5}://O,6:/?6
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Halfenprox;MW:477.4;EXA:-
+:
+<30,Ph, at 6,\,O,!,/F^35,/F^-35,!,Br, at 3,\,!,??,!,O,!2,Ph, at -2,\,O,60,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Paraquat;MW:257.16;EXA:-
+:
+Ph, at 4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90, at 1,@(0,1.2),Cl,n_^15,
+ @10,@(0,1.2),Cl,n_^15
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Oxine-Copper;MW:351.852;EXA:-
+:
+Ph,4:N,5=Ph, at -4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, at 4,&12~vf, at 23,&12~vf
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Endosulfan;MW:406.904;EXA:-
+:
+<26,?7,7=?6[13], at 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
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Uniconazole-P;MW:291.779;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,!~dl,!,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+;
+%******************************************************************************
+CAT:pesticide;EN:Azinphos-methyl;MW:317.318;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?6,-3=?6,{2,4,8,10}=dl,{1:3}:N,6://O
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Azoxystorbin;MW:403.394;EXA:-
+:
+<30,Ph,2:/CN, at 3,\,O,!,Ph,{-1,-3}:N, at -4,\,O,!,Ph, at -5,\,//!O!,!,//O,!,O,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Aramite;MW:334.859;EXA:-
+:
+<30,Ph,6:/??!, at 3,\,O,!2,?!,O,!,S,//O,!,O,!3,Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Aldicarb;MW:190.3;EXA:-
+:
+<-30,!,S,!,??,!,!!,N,!,O,!,//O,!,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Aldoxycarb;MW:222.3;EXA:-
+:
+<30,!,//O,!,NH,!,O,!,N,!!,!,??,!,SOO,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Isoxaflutole;MW:359.319;EXA:-
+:
+<30,Ph,6:/CF3, at 4,\,SOO,!, at 3,\`1,//O,!`1,<-12,|,?5,{1,4}=dl,3:O,4:N,2:/?3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Iprovalicarb;MW:320.4;EXA:-
+:
+<30,Ph,6:/_, at 3,\,!?!,NH,!,//O,!,??,!,NH,!,//O,!,O,!?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Imazalil;MW:297.2;EXA:-
+:
+<-30,!2,O,!2,!!, at 1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Imidacloprid;MW:255.662;EXA:-
+:
+<30,Ph,1:N,6:/Cl, at 3,\,!,|,?5,1:N,3:NH, at 2,\\,N,!,NO2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Indanofan;MW:340.80;EXA:-
+:
+<30,Ph,3=?5,{7,9}://O,8^55>lr:/!, at 8,-30,!2,|,Ph,5:/Cl,||, at 11,?3,-2:O
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Indoxacarb;MW:527.837;EXA:-
+:
+<-6,Ph,3=?5,9=?6,15=dl,10:O,{12,13}:N,1:/Cl,8`1^-54:/COO!,
+ @12,\,//O,!,N,/COO!,!,Ph, at -3,\,O,!,CF3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Oxamyl;MW:219.3;EXA:-
+:
+<-30,!,N,?!,//O,!,/S!,!!,N,!,O,!,//O,!,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Oryzalin;MW:346.4;EXA:-
+:
+<30,Ph,{1,3}:/NO2, at 5,\,SOO,!,NH2, at 2,\,/!2,N,!3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Carbaryl;MW:201.22;EXA:-
+:
+<30,Ph,5=Ph, at 4,\,//O,!,O,!,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Carpropamid;MW:334.665;EXA:-
+:
+<-30,?3,1:/_,{2^-35,2'^35}:*/Cl,3^70:/!, at 3,\,//O,!,NH,!?!,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cumyluron;MW:302.802;EXA:-
+:
+<30,Ph, at 4,\,??,!,NH,!,//O,!,NH,!2,|,Ph,6:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cloquintocet-methyl;MW:335.83;EXA:-
+:
+<90,Ph,4=Ph,2:N,10:/Cl, at 7,\,O,!2,//O,!,O,!?,!5
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Clotianidin;MW:249.673;EXA:-
+:
+<6,?5,{3,5}=dl,2:S,5:N,1:/Cl, at 3,\,!,NH,!,/NH!,!!,N,!,NO2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chromafenozide;MW:394.515;EXA:-
+:
+<30,?6,3=?6,5:O,{7,9,11}=dl,7:/_, at 8,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Clomeprop;MW:324.2;EXA:-
+:
+<30,Ph,{4,6}:/Cl,5:/_, at 3,\,O,!?!,//O,!,NH,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chloridazon;MW:221.6;EXA:-
+:
+<30,?6,{3,4}:N,{2,6}=dl,5://O,1:/NH2,6:/Cl,4:/Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Chloroxuron;MW:290.745;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,O,!,Ph, at -3,\,NH,!,//O,!,N,?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyazofamid;MW:324.783;EXA:-
+:
+<18,?5,{2,5}=dl,{2,4}:N,1:/Cl,3:/CN, at 4,\,SOO,!,N,?!, at 5,\,Ph,-3:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Diuron;MW:233.1;EXA:-
+:
+<30,Ph,{1,6}:/Cl, at 3,\,NH,!,//O,!,N,?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyflufenamid;MW:412.36;EXA:-
+:
+<30,Ph,4^20:/CF3,{1,2}:/F, at 3,\,!,NH,!,//O,!2,Ph, at -10,\\,N,!,<-12,O,!2,?3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Diflubenzuron;MW:310.7;EXA:-
+:
+<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Cyprodinil;MW:225.295;EXA:-
+:
+<30,Ph,{2,4}:N,5:/_,1:/?3, at 3,\,NH,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Simeconazole;MW:293.417;EXA:-
+:
+<36,?5,{1,3,5}:N,{1,4}=dl, at 3,30,!,/OH^30,!2,Si,??!, at 7,-30,Ph,-3:/F
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dimethirimol;MW:209.29;EXA:-
+:
+<30,?6,{3,5}=dl,1://O,2:NH,3:/N?!,4:N,5:/_,6:/??!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dimethomorph;MW:387.86;EXA:-
+:
+<30,?6,1:O,4:N, at 4,\,//O,!,!!`1,!,|,Ph,{4,5}:/O!,||, at 9,\,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Silafluofen;MW:408.588;EXA:-
+:
+<30,Ph, at 5,\,O,!,Ph,-1:/F, at 10,\,!3,Si,??,!,Ph,-3:/O!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Di-allate;MW:270.212;EXA:-
+:
+<-30,!?!,N,!,//O,!,S,!2,!!,!,Cl,3:/?!,7:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Daimuron;MW:268.4;EXA:-
+:
+<30,Ph, at 4,\,??,!,NH,!,//O,!,NH,!,Ph,-3:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Thiacloprid;MW:252.72;EXA:-
+:
+<30,Ph,1:N,6:/Cl, at 3,\,!,<-12,|,?5,1:N,3:S, at -4,\\,N,!,CN
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Thiabendazole;MW:201.247;EXA:-
+:
+<30,Ph,3=?5,8=dl,9:NH,7:N, at 8,\,|,?5,{1,4}=dl,3:S,5:N
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Thiamethoxam;MW:291.71;EXA:-
+:
+<30,?6,2:O,{4,6}:N,6:/_, at 5,\\,N,!,NO2, at 4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tebuthiuron;MW:228.3;EXA:-
+:
+<18,?5,{3,5}=dl,{4,5}:N,2:S,1:/??!, at 3,\,N,?!,//O,!,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tebufenozide;MW:352.5;EXA:-
+:
+<30,Ph,6:/!, at 3,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Teflubenzuron;MW:381.1;EXA:-
+:
+<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,|,Ph,{3,5}:/Cl,{4,6}:/F
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Tridemorph;MW:297.5;EXA:-
+:
+<30,?6,3:N,6:O,{1,5}:/_,3:/!12
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Triflumuron;MW:358.701;EXA:-
+:
+<30,Ph,4:/Cl, at 3,\,//O,!,NH,!,//O,!,NH,!,|,Ph, at 5,\,O,!,CF3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Naproanilide;MW:291.35;EXA:-
+:
+<30,Ph,4=Ph, at 8,\,O,!?!,//O,!,NH,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Novaluron;MW:492.706;EXA:-
+:
+<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,
+ Ph,-4:/Cl, at -3,\,O,!,/F^-35,/F^35,!,/F,!,O,!,CF3
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pyraclostrobin;MW:387.817;EXA:-
+:
+<30,Ph, at 3,\,!,O,!,<12,|,?5,{2,5}=dl,{4,5}:N,
+ at 4,12,Ph,-3:/Cl,||, at 2,\,N,/O!,!,COO!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pirimicarb;MW:238.291;EXA:-
+:
+<30,Ph,{1,5}:N,{2,3}:/_,6:/N?!, at 4,\,O,!,//O,!,N,?!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenoxycarb;MW:301.35;EXA:-
+:
+<30,Ph, at 5,\,O,!,Ph, at -3,\,O,!3,NH,!,//O,!,O,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenobucarb;MW:207.3;EXA:-
+:
+<30,Ph,5:/?!2, at 4,\,O,!,//O,!,NH!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Ferimzone;MW:254.337;EXA:-
+:
+<30,Ph,4:/_, at 3,\,/_,!!,N,!,NH,!,|,Ph,{2,6}:N,{3,5}:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenamidone;MW:311.403;EXA:-
+:
+<18,?5,4=dl,{3,5}:N,2://O, at 3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48:/*Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fenpyroximate;MW:421.49;EXA:-
+:
+<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/_, at 3,-15,O,!,Ph,
+ @4,\,!!,N,!,O,!2,|,Ph, at 4,\,//O,-60,O,!4
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Phenmedipham;MW:300.32;EXA:-
+:
+<30,Ph,5:/_, at 3,\,NH,!,//O,!,O,!,Ph, at -4,\,NH,!,//O,!,O!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Butafenacil;MW:474.817;EXA:-
+:
+<30,?6,6=dl,{3,5}:N,{2,4}://O,5:/_,6:/CF3,
+ @3,\,Ph,-3:/Cl, at -2,\,//O,!,O,!,??,!,//O,!,O,!2,!!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Flufenacet;MW:363.331;EXA:-
+:
+<6,?5,{2,5}=dl,{1,2}:N,4:S,5:/CF3, at 3,\,O,!,-60,//O,!,N,/?!,!,|,Ph,4:/F
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Flufenoxuron;MW:488.77;EXA:-
+:
+<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,Ph,-1:/F, at -3,\,O,!,|,Ph,4:/CF3,6:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Fluridone;MW:329.3;EXA:-
+:
+<30,?6,{3,6}=dl,2:N,2:/_,5://O, at 4,\,Ph,-4:/CF3,6:/Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Propaquizafop;MW:443.884;EXA:-
+:
+<90,Ph,3=?6,{8,10}=dl,{7,10}:N,1:/Cl,
+ @8,\,O,!,|,Ph, at 4,\,O,|,!2,//O,!,O,!,-60,!,O,-60,N,-60~dr,!,{2,9}:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Hexaflumuron;MW:461.14;EXA:-
+:
+<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,
+ |,Ph,{3,5}:/Cl, at 4,\,O,!,/F^-35,/F^35,!,/F,!,F
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Hexathiazox;MW:352.877;EXA:-
+:
+<30,?6, at 3,\,NH,!,//O,!,<-24,|,?5,1:N,3:S,2://O,5:/_, at 4,\,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pencycuron;MW:328.84;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,!,N,/?5,!,//O,!,NH,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Bendiocarb;MW:223.228;EXA:-
+:
+<30,Ph,5=?5,{7,9}:O,8:??, at 4,\,O,!,//O,!,NH!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Pentoxazone;MW:353.774;EXA:-
+:
+<66,?5,5://?!,1:O,3:N,{2,4}://O, at 3,\,|,Ph,4:/Cl,6:/F, at 3,\,O,!,?5
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Boscalid;MW:343.21;EXA:-
+:
+<30,Ph,5:N,4:/Cl, at 3,\,//O,!,NH,!,Ph, at -1,\,Ph,-3:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Methabenzthiazuron;MW:221.3;EXA:-
+:
+Ph,3=?5,9=dl,7:S,9:N, at 8,\,N,?!,//O,!,NH,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Methoxyfenozide;MW:368.48;EXA:-
+:
+<30,Ph,2:/_,1:/O!, at 3,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Monolinuron;MW:214.6;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,NH,!,//O,!,N,?!,O,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Lactofen;MW:461.78;EXA:-
+:
+<30,Ph,4:/Cl,6:/CF3, at 3,\,O,!,Ph,-3:/NO2, at -4,\,//O,!,O,!?!,//O,!,O,!2
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Linuron;MW:249.1;EXA:-
+:
+<30,Ph,{1,6}:/Cl, at 3,\,NH,!,//O,!,N,?!,O,!
+;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Lufenuron;MW:511.15;EXA:-
+:
+<30,Ph,{2,4}:/F,
+ @3,\,//O,!,NH,!,//O,!,NH,!,Ph,{-1,-4}:/Cl, at -3,\,O,!,/F^35,/F^-35,!,/F,!,CF3
+;
+%******************************************************************************
+CAT:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,//O,!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,?5,{1,3}=dl,2:N,5:S
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Chlopidol;MW:192.039;EXA:-
+:
+<30,Ph,{1,3}:/_,2:N,{4,6}:/Cl,5:/OH
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfadiadine;MW:250.276;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,6}:N
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Levamisole;MW:204.29;EXA:-
+:
+?5,3=?5,6=dl,2:S,{4,6}:N, at 7,\,Ph
+;
+%------------------------------------------------------------------------------
+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
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfapyrizine;MW:249.288;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,6:N
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Marbofloxacin;MW:362.361;EXA:-
+:
+<30,Ph,{3,2--7}=?6,9=dl,6:/F,{7,13}:N,11:O,9:/COOH,10://O,13:/_,
+ @1,\,|,?6,{1,4}:N,4:/_
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Trimethoprim;MW:290.323;EXA:-
+:
+<30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,{3,4,5}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Ofloxacin;MW:361.373;EXA:-
+:
+<30,Ph,{3,2--7}=?6,9=dl,7:N,11:O,
+ 6:/F,9:/COOH,10://O,13:/_, at 1,\,|,?6,{1,4}:N,4:/_
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:-
+:
+<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,1:N,4:NH
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Enrofloxacin;MW:359.401;EXA:-
+:
+<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,{1,4}:N,4:/!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Danofloxacin;MW:357.385;EXA:-
+:
+<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,
+ @1,\,|,?6, at 2,-200`1.1,&5,{1,4}:N,4:*/_
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Ormetoprim;MW:274.324;EXA:-
+:
+<30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,2:/_,{4,5}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Orbifloxacin;MW:395.382;EXA:-
+:
+<30,Ph,-4=?6,9=dl,7:N,{2,5,6}:/F,7:/?3,9:/COOH,10://O,
+ @1,\,|,?6,1:N,{3,5}:*/_,4:NH
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfamethoxypyridazine;MW:280.302;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/O!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sarafloxacin;MW:385.371;EXA:-
+:
+<30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10://O, at 1,\,?6,-6:N,-3:NH, at 7,\,Ph,-3:/F
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Difloxacin;MW:399.398;EXA:-
+:
+<30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O, at 1,\,|,?6,{1,4}:N,4:/_,
+ ||, at 7,\,Ph,-3:/F
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,3:/O!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/Cl
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfadoxine;MW:310.328;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfamethoxazole;MW:253.276;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Pirimethamin;MW:248.714;EXA:-
+:
+<30,Ph,6:/Cl, at 3,\,Ph,{-2,-4}:N,-1:/!,{-3,-5}:/NH2
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Oxibendazole;MW:249.27;EXA:-
+:
+<30,Ph,-4=?5,9=dl,7:NH,9:N,1:/O!3, at 8,\,NH,!,COOH
+;
+%------------------------------------------------------------------------------
+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
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfabenzamide;MW:276.31;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,//O,!,Ph
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Ethopabate;MW:237.255;EXA:-
+:
+<30,Ph,1:/NHCO!,3:/O!2,4:/COO!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfadimethoxine;MW:310.33;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/O!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Sulfaquinoxaline;MW:300.337;EXA:-
+:
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,3=Ph,{2,5}:N
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Nalidixic acid;MW:232.239;EXA:-
+:
+<30,Ph,3=?6,9=dl,{5,10}:N,6:/_,7://O,8:/COOH,10:/!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Flubendazole;MW:313.288;EXA:-
+:
+<30,Ph,-4=?5,9=dl,7:NH,9:N, at 1,\,O,!,Ph, at 8,\,NH,!,COO!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Flumequine;MW:261.225;EXA:-
+:
+<30,Ph,{3,2--7}=?6,9=dl,7:N,6:/F,9:/COOH,10://O,13:/_
+;
+%------------------------------------------------------------------------------
+34;CAT:antibacterial;EN:Sulfanitran;MW:335.334;EXA:-
+:
+<30,Ph, at 1,\,NH,!,//O,!, at 4,\,SOO,!,NH,!,|,Ph,4:/NO2
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Xylazine;MW:220.334;EXA:-
+:
+<30,?6,3=dl,2:S,4:N, at 3,\,NH,!,|,Ph,{2,6}:/_
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Famphur;MW:325.3;EXA:-
+:
+<-30,!,O,!,P,//S,/O!^160,!,O,!,Ph, at -3,\,SOO,!,N!,!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Lincomycin;MW:406.54;EXA:1
+:
+<6,?5,5:N,5:*/_,2:*/!2,
+ @3,\*,//O,!,NH,!,!~wb,?6,-1:O,{-3',-4,-5}:*/OH,-2:/*S!, at 8,-30,/_,60,OH
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:2-acethylamino-5-nitrothiazole;MW:187.178;EXA:-
+:
+<18,?5,{2,5}=dl,2:N,4:S,3:/NHCO!,5:/NO2
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Chlorsulron;MW:357.77;EXA:-
+:
+<30,Ph,6:/NH2, at 1,\,SOO,!,NH2, at 3,\,SOO,!,NH2, at 4,\,/Cl,60~dl,/Cl,!,Cl
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Florfenicol;MW:358.21;EXA:-
+:
+<30,Ph, at 1,\,SOO,!, at 4,\,/OH,!,/!F,!,NH,!,//O,!,/Cl,!,Cl
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Thiamphenicol;MW:355;EXA:-
+:
+<30,Ph, at 1,\,SOO,!, at 4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Oxadiargyl;MW:341.19;EXA:-
+:
+<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!), at 4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
+;
+%------------------------------------------------------------------------------
+CAT:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:-
+:
+<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph, at 4,\,??,!,|,Ph,{3,5}:/Cl
+;
+%******************************************************************************
+CAT:biological;EN:Okadaic acid;MW:805.00;EXA:2
+:
+<30,?6, at 4,?6, at -4,\,!3,<-12,?5, at -3,<-12,?6,-3=?6, at -3,*\,!3,
+ ?6, at -4,?6, at 6,\,!,/*_^-40,*/OH^20,!,//O,!1,OH,
+ 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
+ 32:*/H^60,10:/_,{12,31,37'}:*/_,27://_,28:/OH,{3,29}:/*OH
+;
+%------------------------------------------------------------------------------
+CAT:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2
+:
+<-30,#1,!12,{1,3,12}=zf,7=wf,60,60,Ph, at -3,\,O,!,Ph, at -4,\,O,!,Ph, at -3,\,&1,
+ @7,&26,@$1,60,60,NH,60,-60,Ph, at -1,\,Ph, at -2,&4,##,
+ {36,3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180,7'^-60,10'^60,14'^60,35^-60}:*/H,
+ {41,43,46}:/OH,{14,35'}:*/OH,{17,34^15}:/Cl,38^180:*/COOH,
+ @10,*\^-60,60,//O,!,NH2, at 13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
+ @23,\,O,!~zf,|,?6`.7,2:O,3^10:*/!OH,{4',5}:*/OH,
+ @-1,\*,O,!~wb,|,?6`.7,6:O,{3'^35,5}:*/_,3^-35:/NH2,4:/*OH,
+;
+%------------------------------------------------------------------------------
+CAT:biological;EN:Maitotoxin;MW:3425.86;EXA:2
+:
+<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6, at -3,\,!3,?6,{-4,-3,-3,-3}=?6, at -3,\,?6,-3=?6,
+ @-3,\,!3,60,<-30,?6,-3=?6, at -3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
+ @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
+ {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
+ 100,107,113,114,122,123,130,131,140,141,148,149}:O,
+ {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
+ {11,20,35,45,52,55,65,69,86}:/*OH,
+ {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
+ {4,14,22,34,39,43,47',57',71',81,89,98,102,116,121,125,129,133}:*/H^60,
+ {6,46,50,53,60,67,74}:*/H^-60,
+ {9,18,85,93,112,139,143,147}:*/_^60`1,{80,88,97,108',115,120,124}:/*_^-60`1,
+ @$6,\,|,!11,60~dr,-60,60,OH,{2',7,10}:*/OH,{1,3,8'}:*/_,11://_,12:/_,
+ @6,\,O,30,SO3Na,
+ @$36,-45~zf,O,30,SO3Na,
+ @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
+;
+%------------------------------------------------------------------------------
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2023-05-07 15:06:34 UTC (rev 67041)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2023-05-07 19:25:26 UTC (rev 67042)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.92 Copyright (c) 2013-2023 Akira Yamaji
+% mcf2graph ver 5.00 Copyright (c) 2013-2023 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,
@@ -26,28 +26,29 @@
% Set outputformat to "png" (.png) : mpost -s ahangle=1 FILENAME
% Set outputformat to "eps" (.eps) : mpost -s ahangle=2 FILENAME
% Set outputformat to "eps" (.mps) : mpost -s ahangle=3 FILENAME
-% Set output information aux file (for TeX) : mpost -s ahlength=1 FILENAME
-% Set output information aux file (for spread sheet) : mpost -s ahlength=2 FILENAME
-% Set output aux library file : mpost -s ahlength=3 FILENAME
% Set output MOL file (V2000) : mpost -s ahlength=5 FILENAME
% Set output MOL file (V3000) : mpost -s ahlength=6 FILENAME
% Set output report : mpost -s ahlength=7 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 4.92 2023.01.29";
+message "* This is mcf2graph ver 5.00 2023.05.07";
tracingstats:=1; prologues:=3; warningcheck:=0;
%-------------------------------------------------------------------------------------------------
newinternal string EN_;
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[],at_char[];
-string save_str[],tbl_atom_str[],str_tbl[],tag[],info_s[],arg_s[],aux_delimiter,default_library,
+ tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[],at_char[],mc_indent[],op_indent[],ex_indent[],
+ ad_indent[],unit_lines[],info[];
+string row[][],save_str[],tbl_atom_str[],str_tbl[],arg_s[],mc[],ex[],ad[],op[],tag[],
+ lib_tag[][],lib_val[][],mc,ex,ad,op,aux_delimiter,default_library,sC,sI,sS,sT,sV,
+ EN,FM,MW,MI,CAT,JN,CAS,USE,EXA,EXB,
file_input,file_output,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:=sw_abbreviate:=0;
-sw_numbering:=sw_output:=0; numbering_start:=1; numbering_end:=4095;
+sw_comment:=sw_output:=sw_numbering:=0; numbering_start:=1; numbering_end:=4095;
%-------------------------------------------------------------------------------------------------
-aux_max:=max_inf_num:=20; aux_delimiter:=";"; blanks:= " "; dum:=(-4091,0);
-for i=1 upto aux_max: tag[i]:=""; endfor
+aux_delimiter:=";"; blanks:= " "; dum:=(-4091,0);
+tag_cnt:=0;
+for s="No","EN","JN","MW","MI","FM","CAT","CAS","USE","EXA","EXB": tag[incr tag_cnt]:=s; endfor
Fig:=1; Mcode:=2; Calc:=4; Info:=8; Table:=16; Report:=32; MOL2k:=64; MOL3k:=128;
Atom:=8; Bond:=16; Group:=32; Mol:=64; Outside:=1; Inside:=2; Bothside:=Outside+Inside;
%-------------------------------------------------------------------------------------------------
@@ -75,12 +76,13 @@
%-------------------------------------------------------------------------------------------------
vardef fsr(expr n)(expr s)= (substring(0,n-length(s)) of blanks)&s enddef;
vardef fsl(expr n)(expr s)= s&(substring(0,n-length(s)) of blanks) enddef;
-vardef fdr(expr n)(expr s)= fsr(n)(decimal(s)) enddef;
+vardef fdr(expr n)(expr s)=
+ if length(decimal(s))>n: substring (0,n) of decimal(s) else: fsr(n)(decimal(s)) fi enddef;
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;
%=================================================================================================
-default_library:="mcf_library.mcf"; default_temp_file:="temp.mcf";
+default_library:="main_lib.mcf"; default_temp_file:="temp.mcf";
mpfont:="uhvr8r"; atomfont:="draw"; defaultfont:=mpfont;
%--default ahangle=45---------------------------------------------------------------------
if ahangle=1: outputformat:="png"; hppp:=vppp:=0.12; % png format(600dpi)
@@ -90,19 +92,16 @@
ef ahangle=45: outputformat:="svg"; % svg format *default
fi
%--default ahlength=4---------------------------------------------------------------------
-if ahlength=1: sw_output:=Info; % output aux file
-ef ahlength=2: sw_output:=Info+Table; % output aux file(Table mode)
-ef ahlength=3: sw_output:=Info+Mcode; % output aux library
-ef ahlength=4: sw_output:=Fig; % output figure *default
+if ahlength=4: sw_output:=Fig; % output figure *default
ef ahlength=5: sw_output:=MOL2k; % output MOL(V2000)
ef ahlength=6: sw_output:=MOL3k; % output MOL(V3000)
ef ahlength=7: sw_output:=Report; % output report
fi
%-- default bboxmargin=2------------------------------------------------------------------
-if bboxmargin=3: ext(defaultfont:=mpfont; defaultscale:=.3; label.rt(inf_EN,(0,0));)
+if bboxmargin=3: ext(defaultfont:=mpfont; defaultscale:=.3; label.rt(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(EN&" / "&MW&" / "&decimal(num_MW-scantokens(MW)),(0,0));) fi
%--default outputtemplate:="%j-%3c."&"svg"------------------------------------------------
if outputformat="svg": outputtemplate:="s%3c-%{EN_}.svg";
ef outputformat="png": outputtemplate:="p%3c-%{EN_}.png";
@@ -109,17 +108,13 @@
ef (outputformat="eps")and(ahangle=3): outputtemplate:="%j-%3c.mps";
else: outputtemplate:="%j-%3c."&outputformat; fi
%-----------------------------------------------------------------------------------------
-if sw_output>=Info:
- message "* jobname="&jobname; message "* numbersystem="&numbersystem;
- if (ahlength=1)or(ahlength=2):
- message "* output information file"; message "* file name="&jobname&"-info.aux";
- message "* info delimiter="&aux_delimiter;
- ef ahlength=3: message "* output library file";
- message "* library file name="&jobname&"-lib.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
+message "* jobname="&jobname;
+message "* numbersystem="&numbersystem;
+message "* outputformat="&outputformat;
+message "* outputtemplate="&outputtemplate;
+if ahlength=5: message "* output MOL file(V2000)"; message "* "&jobname&"-nnn-"&"EN"&".mol";
+ef ahlength=6: message "* output MOL file(V3000)"; message "* "&jobname&"-nnn-"&"EN"&".mol";
+ef ahlength=7: message "* output report file"; message "* file name="&jobname&"-report.txt";
fi
clearit;
%--------------------------------------------------------------------------------------------------
@@ -134,6 +129,7 @@
fsize:=(30mm,20mm); fmargin:=(0.4mm,0.4mm); msize:=(1,1); mposition:=(0.5,0.5);
%=== bboxmargin:=0; % 2bp => 0 ====================================================================
ahangle:=45; ahlength:=4; defaultsize:=8; defaultscale:=1; labeloffset:=3; ext_defaultline:=0.5;
+outputformatoptions:="";
lonepairdiam:=lonepairspace:=circlediam:=circlepen:=bboxmargin:=0; mc_length:=100;
%==================================================================================================
parts_emb_start:=1000; % 1001 => 2000 for embedded parts (max 1900)
@@ -177,156 +173,142 @@
endfor
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-def beginfigm(text s)=
+def beginfigm=
begingroup
- save ',mc,f_ext,blen,ext,add,ang_br,fw_n,bw_n,at_colon,info_cnt,group_num,bond_cntA,warning_cnt,
- hideH,hideH_cnt,filter_s,mc_indent,cntM,cntA,cntB,minX,minY,maxX,maxY,posA,posM,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,mol_pic,
- sC,sI,sS,sT,sV,color_list,unit_cnt,f_end,semic_cnt,f_match,var_n,tag_a,var_a;
- numeric mc_indent[],op_indent[],ex_indent[],ad_indent[],hideH[],lineB[],sB[],eB[],angB[],angA[],
- lenB[],angX[],strA[],sumA[],bond_num[],wdM[],htM[],chargeA[],addA[],add_rot[];
+ save ',f_ext,blen,ext,add,ang_br,fw_n,bw_n,at_colon,at_dot,info_cnt,group_cnt,bond_cntA,firstc,
+ warning_cnt,hideH,hideH_cnt,cntM,cntA,cntB,minX,minY,maxX,maxY,posA,posM,lineB,sB,eB,angB,
+ angA,lenB,angX,numS,sumA,bond_num,wdM,htM,chargeA,addA,add_rot,mol_pic,color_list,filter_s,
+ no,mw,mi,fm;
+ numeric hideH[],lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],strA[],sumA[],bond_num[],
+ wdM[],htM[],chargeA[],addA[],add_rot[];
pair posA[],posM[][];
- string mc[],ex[],ad[],op[],tag_a[],var_a[],mc,ex,ad,op,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,sC,sI,sS,sT,sV,firstc;
+ string mi,no,fm,mw,firstc,filter_s;
picture mol_pic[];
color color_list[];
%------------------------------------------------------------------------------------------------
store_par(parameter_list);
- %------------------------------------------------------------------------------------------------
+ no:=mc:=ex:=ad:=op:=temps:=mw:=mi:=fm:=filter_s:="";
+ EN:=JN:=MW:=FM:=MI:=CAS:=CAT:=EXA:=EXB:=USE:="-";
+ f_ext:=cntM:=mc_row:=ex_row:=ad_row:=op_row:=info_cnt:=0;
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:=ex:=ad:=op:=temps:=cal_MW:=cal_MI:=cal_FM:=filter_s:=""; file_input:=default_library;
- %------------------------------------------------------------------------------------------------
parts_num:=parts_usr_start; parts_int:=parts_int_start;
- fig_num:=fig_num+1; f_ext:=cntM:=mc_row:=ex_row:=ad_row:=op_row:=info_cnt:=f_EOF:=0;
- %------------------------------------------------------------------------------------------------
- for list=s:
- at_colon:=scan_c(":",list); firstc:=subc(1,list);
- fw_n:=scan_char(" ",list,1,2); bw_n:=scan_char(" ",list,-1,2);
- if firstc=":": mc_indent[incr mc_row]:=fw_n-2;
- mc[mc_row]:=substring(fw_n-1,bw_n) of list; mc:=mc&mc[mc_row];
- ef firstc="*": ex_indent[incr ex_row]:=fw_n-2;
- ex[ex_row]:=substring(fw_n-1,bw_n) of list; ex:=ex&ex[ex_row];
- ef firstc="+": ad_indent[incr ad_row]:=fw_n-2;
- ad[ad_row]:=substring(fw_n-1,bw_n) of list; ad:=ad&ad[ad_row];
- ef firstc="=": op_indent[incr op_row]:=fw_n-2;
- op[op_row]:=substring(fw_n-1,bw_n) of list; op:=op&op[op_row];
- ef at_colon>=1:
- info_s[incr info_cnt]:=list;
- sT:=substring(0,at_colon-1) of list; sV:=substring(at_colon,length(list)) of list;
- if sT="f": if scan_c(".",sV)=0: file_input:=sV&".mcf"; else: file_input:=sV; fi
- 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
- endfor
- if inf_EN<>"-": EN_:=forbidden_to_underbar(inf_EN); fi
- %------------------------------------------------------------------------------------------------
+ fig_num:=fig_num+1;
mol_pic[0]:=nullpicture;
enddef;
-%==================================================================================================
+%--------------------------------------------------------------------------------------------------
def endfigm=
- if f_EOF=0:
- %--------------------------------------------------------------------------------------------
- if scan_bit(sw_output,Fig):
- beginfig(fig_num)
- %------------------------------------------------------------------------------------------
- if cntM>=1:
- if sw_ext_all=1: ext_to_fig(EXT_ALL); fi
- if sw_trimming>=1:
- nA:=nC:=4095; nB:=nD:=-4095;
- for i=1 upto cntM:
- if xpart(posM[1][i])<nA: nA:=xpart(posM[1][i]); fi
- if xpart(posM[2][i])>nB: nB:=xpart(posM[2][i]); fi
- 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);
- 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);
- endfor
- fi
- %----------------------------------------------------------------------------------------
- if scan_bit(sw_frame,Outside): draw_frame((0,0),fig_wd,fig_ht,thickness_frame);
- else: draw_corner((0,0),fig_wd,fig_ht,0.004);
- fi
- if scan_bit(sw_frame,Inside):
- draw_frame((margin_lr,margin_tb),fig_wd-2margin_lr,fig_ht-2margin_tb,thickness_frame);
- fi
+ %---------------------------------------------------------------------------------------------
+ if cntM>=1:
+ %--------------------------------------------------------------------------------------------
+ if scan_bit(sw_output,Fig):
+ if EN<>"-": EN_:=forbidden_to_underbar(EN); fi
+ beginfig(fig_num)
+ %------------------------------------------------------------------------------------------
+ if sw_ext_all=1: ext_to_fig(EXT_ALL); fi
+ if sw_trimming>=1:
+ nA:=nC:=4095; nB:=nD:=-4095;
for i=1 upto cntM:
- addto currentpicture also mol_pic[i] shifted posM[0][i]; mol_pic[i]:=nullpicture;
- if scan_bit(sw_frame,Mol): ext(draw_frame(p[i],w[i],h[i],thickness_frame)) fi
+ if xpart(posM[1][i])<nA: nA:=xpart(posM[1][i]); fi
+ if xpart(posM[2][i])>nB: nB:=xpart(posM[2][i]); fi
+ 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
- if f_ext=1: addto currentpicture also mol_pic[0]; mol_pic[0]:=nullpicture; fi
- else:
- draw_frame((0,0),fig_wd,fig_ht,thickness_frame);
- draw (0,fig_ht)--(fig_wd,0) wpcs thickness_frame;
+ fig_wd:=nB-nA+2xpart(fmargin); fig_ht:=nD-nC+2ypart(fmargin); fsize:=(fig_wd,fig_ht);
+ for i=1 upto cntM:
+ posM[0][i]:=posM[0][i]+fmargin-(nA,nC); posM[1][i]:=posM[1][i]+fmargin-(nA,nC);
+ endfor
fi
- %-----------------------------------------------------------------------------------------
- endfig;
- clearit;
- fi
- %-------------------------------------------------------------------------------------------
- if scan_bit(sw_output,Info):
- if scan_bit(sw_output,Table): proc_info_out(2);
- ef scan_bit(sw_output,Mcode): proc_info_out(3);
- else: proc_info_out(1);
+ %----------------------------------------------------------------------------------------
+ if scan_bit(sw_frame,Outside): draw_frame((0,0),fsize,thickness_frame);
+ else: draw_corner(fsize,0.004);
fi
- fi
- if scan_bit(sw_output,Mcode): proc_mc_out(0); fi
- if scan_bit(sw_output,Report): proc_report_out(0); fi
- if scan_bit(sw_output,MOL2k): proc_mol_out(1); fi
- if scan_bit(sw_output,MOL3k): proc_mol_out(2); fi
- %-------------------------------------------------------------------------------------------
- %% 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);
- %-------------------------------------------------------------------------------------------
+ if scan_bit(sw_frame,Inside): draw_frame(fmargin,fsize-2fmargin,thickness_frame); fi
+ for i=1 upto cntM:
+ addto currentpicture also mol_pic[i] shifted posM[0][i]; mol_pic[i]:=nullpicture;
+ if scan_bit(sw_frame,Mol): ext(draw_frame(p[i],(w[i],h[i]),thickness_frame)) fi
+ endfor
+ if f_ext=1: addto currentpicture also mol_pic[0]; mol_pic[0]:=nullpicture; fi
+ %-----------------------------------------------------------------------------------------
+ endfig;
+ clearit;
fi
%---------------------------------------------------------------------------------------------
+ if scan_bit(sw_output,Report): proc_report_out; fi
+ if scan_bit(sw_output,MOL2k): proc_mol_out(2000); fi
+ if scan_bit(sw_output,MOL3k): proc_mol_out(3000); fi
+ %---------------------------------------------------------------------------------------------
+ %% 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);
+ %---------------------------------------------------------------------------------------------
+ ef scan_bit(sw_output,Fig):
+ EN_:="no_figure";
+ beginfig(fig_num)
+ defaultscale:=.6; draw_frame((0,0),fsize,thickness_frame) label("no figure",0.5fsize);
+ endfig;
+ clearit;
+ %---------------------------------------------------------------------------------------------
+ fi
+ %---------------------------------------------------------------------------------------------
+ if scan_bit(sw_output,Mcode): proc_mc_out; fi
+ if scan_bit(sw_output,Report): proc_report_out; fi
+ if scan_bit(sw_output,MOL2k): proc_mol_out(2000); fi
+ if scan_bit(sw_output,MOL3k): proc_mol_out(3000); fi
+ %---------------------------------------------------------------------------------------------
restore_par(parameter_list);
endgroup;
enddef;
+%==================================================================================================
+def readm(text s)=
+ save fw_n,bw_n;
+ for list=s:
+ fw_n:=scan_char(" ",list,1,1)-1; bw_n:=scan_char(" ",list,-1,1);
+ mc_indent[incr mc_row]:=fw_n; mc[mc_row]:=substring(fw_n,bw_n) of list; mc:=mc&mc[mc_row];
+ endfor
+enddef;
+%=================================================================================================
+def getm(expr a)=if string a: read_unit(get_adr("EN",a)) ef numeric a: read_unit(a) fi enddef;
%-------------------------------------------------------------------------------------------------
-def pickup_data_unit(expr t,v,f)=
- f_end:=unit_cnt:=semic_cnt:=f_match:=inf_num:=0;
- if t="n": var_n:=scantokens(v); fi
- forever:
- temps:=readfrom file_input; if temps=EOF: f_EOF:=1; fi exitif f_EOF=1; firstc:=subc(1,temps);
- if firstc="%":
- ef (firstc=":")or(firstc="="):
- if firstc=":": nF:=1; ef firstc="=": nF:=2; fi
- unit_cnt:=unit_cnt+1; if v="*": f_match:=1; ef t="n": if unit_cnt=var_n: f_match:=1; fi fi
- if f_match=1:
- forever:
- sS:=readfrom file_input; firstc:=subc(1,sS); nS:=length(sS);
- if sS=EOF: f_EOF:=1; fi exitif f_EOF=1; exitif firstc=";";
- if firstc=":": nF:=1; ef firstc="=": nF:=2; ef firstc="*": nF:=3; ef firstc="+": nF:=4;
- else: fw_n:=scan_char(" ",sS,1,1)-1; temps:=substring(fw_n,nS) of sS;
- if nF=1: mc_indent[incr mc_row]:=fw_n; mc[mc_row]:=temps; mc:=mc&mc[mc_row];
- ef nF=2: op_indent[incr op_row]:=fw_n; op[op_row]:=temps; op:=op&op[op_row];
- ef nF=3: ex_indent[incr ex_row]:=fw_n; ex[ex_row]:=temps; ex:=ex&ex[ex_row];
- ef nF=4: ad_indent[incr ad_row]:=fw_n; ad[ad_row]:=temps; ad:=ad&ad[ad_row]; fi fi
- endfor
- for i=1 upto inf_num:
- if known scantokens("inf_"&tag_a[i]): scantokens("inf_"&tag_a[i]):=var_a[i]; fi endfor
- f_end:=1;
+def read_unit(expr n)=
+ save nF; nF:=0;
+ if (n>=1)and(n<=unitcount):
+ for i=1 upto info[n]:
+ for j=1 upto tag_cnt: if lib_tag[n][i]=tag[j]: scantokens(tag[j]):=lib_val[n][i]; fi endfor
+ endfor
+ for i=1 upto unit_lines[n]:
+ temps:=row[n][i]; firstc:=subc(1,temps); exitif firstc=";";
+ if firstc=":": nF:=1; ef firstc="=": nF:=2; ef firstc="*": nF:=3; ef firstc="+": nF:=4;
+ ef firstc="%":
else:
- forever: sS:=readfrom file_input;
- if sS=EOF: f_EOF:=1; fi exitif f_EOF=1; exitif subc(1,sS)=";"; endfor
+ fw_n:=scan_char(" ",temps,1,1)-1;
+ temps:=substring(fw_n,length(temps)) of temps;
+ if nF=1: mc_indent[incr mc_row]:=fw_n; mc[mc_row]:=temps; mc:=mc&temps;
+ ef nF=2: op_indent[incr op_row]:=fw_n; op[op_row]:=temps; op:=op&temps;
+ ef nF=3: ex_indent[incr ex_row]:=fw_n; ex[ex_row]:=temps; ex:=ex&temps;
+ ef nF=4: ad_indent[incr ad_row]:=fw_n; ad[ad_row]:=temps; ad:=ad&temps;
+ fi
fi
- else:
- inf_num:=split_str(temps,";")(arg_s);
- for i=1 upto inf_num:
- get_tag_var(arg_s[i])(tag_a[i],var_a[i]); if t=tag_a[i]: if v=var_a[i]: f_match:=1; fi fi
- endfor
- fi
- exitif f_end=1;
+ endfor
+ fi
+enddef;
+%=================================================================================================
+vardef get_adr(expr t,v)=
+ save adr_n; adr_n:=0;
+ for n=1 upto unitcount:
+ for i=1 upto info[n]:
+ for j=1 upto tag_cnt: if (lib_tag[n][i]=t)and(lib_val[n][i]=v): adr_n:=n; fi endfor
+ exitif adr_n>=1;
+ endfor
endfor
- if f=1: closefrom file_input; fi
+ message if adr_n>1: "* found [" else: "* not found [" fi &v&"]"&"("&decimal(adr_n)&")";
+ adr_n
enddef;
+%-------------------------------------------------------------------------------------------------
+def putm=
+ if op_row>=1: scantokens(op) fi
+ if mc_row>=1: if checkm(mc)=0: cv(scantokens(mc)) fi fi
+ if ad_row>=1: add(scantokens(ad)) fi
+ if ex_row>=1: ext(scantokens(ex)) fi
+enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
vardef '(text t)= parts_num:=parts_num+1; read_mcf(parts_num)(t); parts_num enddef;
vardef read_id(text t)= parts_num:=parts_num+1;
@@ -359,9 +341,9 @@
def read_mcf(expr n)(text t)=
begingroup
save nCP;
- if unknown inside_MC::
+ if unknown inside_cv::
save /,//,/*,*/,**,*/*,~,^,',`,<,>,:,=,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,CP,CA,
- --,---,----,inside_MC;
+ --,---,----,inside_cv;
| :=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_lth; let `==op_bqu;
@@ -371,7 +353,7 @@
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;
+ inside_cv:=1;
fi
%----------------------------------------------------------------------------------------------
nCP:=0;
@@ -559,12 +541,12 @@
%-------------------------------------------------------------------------------------------------
def add_to_molecule(text t)=
begingroup
- save w,h,n,l,p,am,aw,A,B,plus,minus,lonepair,wave_line,__,**,=>,<<,/*;
+ save w,h,n,l,p,am,aw,A,B,plus,minus,lonepair,__,**,=>,<<,/*;
numeric A[]dir,B[]up,A[]ang,B[]ang;
pair __,p[],A[],B[]s,B[]e,B[]m,A[]up,A[]left,A[]right,A[]down,B[]up,B[]left,B[]right,B[]down;
path B[];
def plus = circled_plus_add enddef; def minus = circled_minus_add enddef;
- def lonepair = lone_pair_add enddef; def wave_line = wave_line_add enddef;
+ def lonepair = lone_pair_add enddef;
ext_setup;
w:=mol_wd; h:=mol_ht; l:=blen; aw:=atom_wd; p0:=(minX,minY);
lonepairdiam:=0.3aw; lonepairspace:=.7aw; circlediam:=.6aw; circlepen:=.2;
@@ -585,7 +567,7 @@
pair __,p[];
ext_setup;
w:=xpart(fsize); h:=ypart(fsize);
- w0:=w-2margin_lr; h0:=h-2margin_tb; p0:=(margin_lr,margin_tb); aw:=atom_wd; n:=cntM;
+ w0:=w-2xpart(fmargin); h0:=h-2ypart(fmargin); p0:=fmargin; aw:=atom_wd; n:=cntM;
for i=1 upto n: p[i]:=posM[1][i]; w[i]:=wdM[i]; h[i]:=htM[i]; endfor
t addto mol_pic[0] also currentpicture; clearit; f_ext:=1;
endgroup;
@@ -601,15 +583,11 @@
vardef lone_pair_add expr n=
image(draw (0,0) wpcs lonepairdiam; draw ((0,lonepairspace) rotated n) wpcs lonepairdiam;)
enddef;
-%-------------------------------------------------------------------------------------------------
-vardef wave_line_add expr n=
- image()
-enddef;
%=================================================================================================
-def MCat(expr w,h)(text t)=
- save_mposition:=mposition; mposition:=(w,h); MC(t) mposition:=save_mposition; enddef;
+def cv_at(expr w,h)(text t)=
+ save_mposition:=mposition; mposition:=(w,h); cv(t) mposition:=save_mposition; enddef;
%-------------------------------------------------------------------------------------------------
-def MC(text t)=
+def cv(text t)=
begingroup
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,
@@ -624,14 +602,13 @@
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
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;
+ cntA:=cntB:=cntC:=group_cnt:=0; str_tbl[0]:=cC; str_cnt:=2000;
%-----------------------------------------------------------------------------------------------
fig_wd:=xpart(fsize); fig_ht:=ypart(fsize);
- margin_lr:=xpart(fmargin); margin_tb:=ypart(fmargin);
%===============================================================================================
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
+ if (group_cnt>0)and(not scan_bit(sw_abbreviate,Group)): read_group(0)(1); fi
%-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;
@@ -644,10 +621,10 @@
proc_skeleton(0); proc_scaling;
if (mol_ht/mol_wd)>(m_ht/m_wd):
if ypart(msize)>1: factor:=ypart(msize)/mol_ht;
- else: factor:=((fig_ht-2margin_tb)*ypart(msize))/mol_ht; fi
+ else: factor:=((fig_ht-2ypart(fmargin))*ypart(msize))/mol_ht; fi
else:
if xpart(msize)>1: factor:=xpart(msize)/mol_wd;
- else: factor:=((fig_wd-2margin_lr)*xpart(msize))/mol_wd; fi fi
+ else: factor:=((fig_wd-2xpart(fmargin))*xpart(msize))/mol_wd; fi fi
exitif (factor>=1-eps)and(factor<=1+eps); blen:=blen*factor; proc_size_setup;
endfor
if blen>max_blength: blen:=max_blength; proc_size_setup; proc_skeleton(0); proc_scaling; fi
@@ -698,9 +675,9 @@
fi
%---------------------------------------------------------------------------------------------
if xpart(mposition)>1: nX:=xpart(mposition)-minX;
- else: nX:=margin_lr-minX+(fig_wd-mol_wd-2margin_lr)*xpart(mposition); fi
+ else: nX:=xpart(fmargin)-minX+(fig_wd-mol_wd-2xpart(fmargin))*xpart(mposition); fi
if ypart(mposition)>1: nY:=ypart(mposition)-minY;
- else: nY:=margin_tb-minY+(fig_ht-mol_ht-2margin_tb)*ypart(mposition); fi
+ else: nY:=ypart(fmargin)-minY+(fig_ht-mol_ht-2ypart(fmargin))*ypart(mposition); fi
posM[0][incr cntM]:=(nX,nY);
posM[1][cntM]:=(minX+nX,minY+nY); posM[2][cntM]:=(maxX+nX,maxY+nY);
wdM[cntM]:=mol_wd; htM[cntM]:=mol_ht;
@@ -713,7 +690,7 @@
%-------------------------------------------------------------------------------------------------
def add_group=
if f_at=1: nE:=getA(adrT); check_adrA(nE); else: nE:=cntA+1; fi
- group_cnt[incr group_num]:=0; store_group(_jp_absA,nE) store_group(_com,_len_s)
+ group_cnt[incr group_cnt]:=0; store_group(_jp_absA,nE) store_group(_com,_len_s)
if lineT<>nb: store_group(_tmp_line,lineT) fi
if rotT<>0: store_group(_rot_ang,rotT) fi
if lenT<>rate_cr: store_group(_chg_len,lenT)
@@ -732,12 +709,12 @@
enddef;
%-------------------------------------------------------------------------------------------------
def store_group(expr a,b)=
- group_com[group_num][incr group_cnt[group_num]]:=a;
- group_par[group_num][group_cnt[group_num]]:=b; enddef;
+ group_com[group_cnt][incr group_cnt[group_cnt]]:=a;
+ group_par[group_cnt][group_cnt[group_cnt]]:=b; enddef;
%=================================================================================================
def read_group(expr a)(expr n)=
- save_group_cnt:=group_num; save_cntD:=parts_cnt[a];
- for i=n upto group_num:
+ save_group_cnt:=group_cnt; save_cntD:=parts_cnt[a];
+ for i=n upto group_cnt:
for j=1 upto group_cnt[i]:
parts_com[a][incr parts_cnt[a]]:=group_com[i][j];
parts_par[a][parts_cnt[a]]:=group_par[i][j];
@@ -744,14 +721,14 @@
endfor
endfor
proc_bond_atom(a)(save_cntD+1);
- if group_num>save_group_cnt: read_group(a)(save_group_cnt+1); fi enddef;
+ if group_cnt>save_group_cnt: read_group(a)(save_group_cnt+1); fi enddef;
%=================================================================================================
-def draw_frame(expr p,x,y,n)=
- draw ((0,0)--(x,0)--(x,y)--(0,y)--cycle) shifted p withpen pensquare scaled n; enddef;
+def draw_frame(expr o,p,n)=
+ draw ((0,0)--(xpart p,0)--p--(0,ypart p)--cycle) shifted o withpen pensquare scaled n;
+enddef;
%-------------------------------------------------------------------------------------------------
-def draw_corner(expr p,x,y,n)=
- draw(0,0) shifted p wpcs n; draw(x,0) shifted p wpcs n;
- draw(x,y) shifted p wpcs n; draw(0,y) shifted p wpcs n; enddef;
+def draw_corner(expr p,n)=
+ draw (0,0) wpcs n; draw(xpart p,0) wpcs n; draw p wpcs n; draw(0,ypart p) wpcs n; enddef;
%-------------------------------------------------------------------------------------------------
def proc_size_setup=
atom_wd:= blen*ratio_atom_bond+offset_atom;
@@ -758,7 +735,8 @@
wedge_wd:= blen*ratio_wedge_bond+offset_wedge;
hash_gap:= blen*ratio_hashgap_bond+offset_hash_gap;
bondgap:= blen*ratio_bondgap_bond+offset_bond_gap;
- bond_pen_wd:= blen*ratio_thickness_bond+offset_thickness; enddef;
+ bond_pen_wd:= blen*ratio_thickness_bond+offset_thickness;
+enddef;
%-------------------------------------------------------------------------------------------------
def proc_scaling=
minX:=minY:=4095; maxX:=maxY:=-4095;
@@ -1208,46 +1186,16 @@
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_char(tbl_atom_str[i]) if sumA[i]>=2: &decimal(sumA[i]) fi; fi
+ fm:=fm&erase_char(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);
+ mw:=substring(0,8) of decimal(num_MW); MI:=substring(0,10) of decimal(num_MI);
enddef;
%=================================================================================================
-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&"-lib.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
- %--------------------------------------------------------------------------------------
- for i=1 upto aux_max: exitif tag[i]="";
- if i=1: printf "" else: &aux_delimiter fi
- if (f=1)or(f=3): &tag[i]&":" fi
- %---------------------------------------------------------------------------------
- if tag[i]="J": & jobname ef tag[i]="C": & decimal(fig_num)
- ef tag[i]="mw": & cal_MW ef tag[i]="fm": & cal_FM
- ef tag[i]="mi": & cal_MI ef tag[i]="mc": & mc
- ef tag[i]="w": & decimal(xpart(fsize)) ef tag[i]="h": & decimal(ypart(fsize))
- ef tag[i]="w1": & decimal(mol_wd) ef tag[i]="h1": & decimal(mol_ht)
- ef tag[i]="An": & decimal(cntA) ef tag[i]="Bn": & decimal(cntB)
- %---------------------------------------------------------------------------------
- ef tag[i]="NO": & inf_NO ef tag[i]="EN": & inf_EN
- 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
- endfor ;
- if f=3: printf "+";
- for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blanks)&mc[i]; endfor
- printf "+";
- printf "%-----------------------------------------------------------------------------";
- fi
-enddef;
-%=================================================================================================
-def proc_report_out(expr f)=
- message "["&decimal(fig_num)&"]:"&inf_EN;
- if f=1: file_output:="temp-report.aux"; else: file_output:=jobname&"-report.txt"; fi
+def proc_report_out=
+ message "["&decimal(fig_num)&"]:"&EN;
+ file_output:=jobname&"-report.txt";
printf "===========================================================================";
- printf " No["&decimal(fig_num)&"],Name<"& inf_EN&">,Category<"&inf_Cat&">,File<"&file_input&">";
+ printf " No["&decimal(fig_num)&"],Name<"& EN&">,Category<"&CAT&">,File<"&file_input&">";
if mc_row>=1:
printf "---------------------------------------------------------------------------";
for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blanks)&mc[i]; endfor
@@ -1263,9 +1211,9 @@
"],|["&decimal(cnt_bar-cnt_bars)&"],||["&decimal(cnt_bars)&
"],#["&decimal(cnt_hsh-cnt_hshs)&"],##["&decimal(cnt_hshs)&"]"; fi
printf "---------------------------------------------------------------------------";
- printf " Width["&decimal(mol_wd)&"],Height["&decimal(mol_ht)&"],"&
- " Shift x["& decimal(minX)&"],Shift y["&decimal(minY)&"]";
- printf " Bond length["&decimal(blen)&"],Atom size["&decimal(atom_wd)&"]";
+ printf " Width["&fdr(8)(mol_wd)&"],Height["&fdr(8)(mol_ht)&"],"&
+ " Shift x["& fdr(8)(minX)&"],Shift y["&fdr(8)(minY)&"]";
+ printf " Bond length["&fdr(8)(blen)&"],Atom size["&fdr(8)(atom_wd)&"]";
printf "---------------------------------------------------------------------------";
printf " Atom["&decimal(cntA)&"],Bond["&decimal(cntB)&
"],Ring["&decimal(cntB-cntA+1)&"],Hide H["&decimal(hideH_cnt)&"]";
@@ -1289,25 +1237,25 @@
for i=1 upto tbl_atom_max:
if sumA[i]>=1:
printf " "&fsl(5)(erase_char(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
+ "("&fdr(9)(tbl_atom_wt[i])&")"&"["&fdr(9)(tbl_atom_mi[i])&"]"&" * "&fdr(8)(sumA[i])
+ &" "&fdr(7)(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 " Molecular Weight [Mono Isotopic] = "&fsr(12)(mw)&"["&fsr(12)(MI)&"]";
printf "---------------------------------------------------------------------------";
- printf " Weight Calc: " &cal_MW &" / Input: "
- if inf_MW<>"-": &inf_MW &" / weight gap= " &decimal(num_MW-scantokens(inf_MW)) fi;
- printf " Fomula Calc: "&cal_FM &" / Input: "
- if inf_FM<>"-": &inf_FM&" / "& iif(inf_FM=cal_FM,"MACTCH","NOT MACTCH") fi;
+ printf " Weight Calc: " &mw &" / Input: "
+ if MW<>"-": &mw &" / weight gap= " &fdr(9)(num_MW-scantokens(MW)) fi;
+ printf " Fomula Calc: "&fm
+ if FM<>"-": &" / Input: "&FM&" ( "& iif(fm=FM,"MACTCH )","NOT MACTCH )") fi;
printf "===========================================================================";
- if f=1: printf EOF; fi
enddef;
%=================================================================================================
def proc_mol_out(expr n)=
- message "["&decimal(fig_num)&"]:"&inf_EN;
- file_output:=jobname&"-"&fit_zero(fig_num)&"-"&EN_&".mol";
+ message "["&decimal(fig_num)&"]:"&EN;
+ if EN<>"-": EN_:=forbidden_to_underbar(EN); fi
+ file_output:="m"&fit_zero(fig_num)&"-"&EN_&".mol";
%-V2000---------------------------------------------------------------------------------------
- if n=1:
- printf ""; printf " -MCFtoMOL- "&fsl(20)(info_s[1]); printf "";
+ if n=2000:
+ printf ""; printf " -MCFtoMOL- "&fsl(20)(EN); printf "";
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)&" "&
@@ -1319,8 +1267,8 @@
endfor
printf "M END";
%-V3000---------------------------------------------------------------------------------------
- elseif n=2:
- printf ""; printf " -MCFtoMOL- "&fsl(20)(info_s[1]); printf "";
+ elseif n=3000:
+ printf ""; printf " -MCFtoMOL- "&fsl(20)(EN); printf "";
printf " 0 0 0 0 0 0 0 0 0 0 0 V3000";
printf "M V30 BEGIN CTAB";
printf "M V30 COUNTS "&decimal(cntA)&" "&decimal(cntB)&" 0 0 0";
@@ -1340,8 +1288,8 @@
printf "M V30 END BOND"; printf "M V30 END CTAB"; printf "M END"; fi
enddef;
%=================================================================================================
-def proc_mc_out(expr f)=
- message "["&decimal(fig_num)&"]:"&inf_EN;
+def proc_mc_out=
+ message "["&decimal(fig_num)&"]:"&EN;
file_output:="temp-mc.aux";
if mc_length<100:
nN:=split_str(mc,",")(arg_s); nA:=0; temps:="";
@@ -1454,7 +1402,7 @@
Pyranose_hp:='(#1.4,-35~wf_r,35~bd_r`1,30~wb_r,130`1.66,O,&1,##);
%-------------------------------------------------------------------------------------------------
xCH3:='(/H,/H^60,/H^-60); xNH:='(N,/H~nl); xNH2:='(N,/H~nl^60,/H~nl^-60);
-xNO2:='(N,//O^60,//O^-60); xOH:='(O,/H~nl); xNO:='(N,//O);
+xNO2:='(N,//O^60,//O^-60); xOH:='(O,/H~nl); xNO:='(N,//O); xCONH2:='(//O,!,xNH2);
xSO2H:='(S,//O^60,/OH^-60); xSO3H:='(S,/OH,//O^60,//O^-60);
xCHO:='(//O^-60,/H^60); xCOOH:='(//O^-60,/xOH^60); xCN:='(/N~tm); xSH:='(S,/H~nl);
!xOH:='(!,xOH); !xCHO:='(!,xCHO); !xCOOH:='(!,xCOOH); !xCH3:='(!,xCH3); !xCN:='(!,xCN);
@@ -1467,10 +1415,10 @@
%-------------------------------------------------------------------------------------------------
def expand_set=
CH3:=xCH3; NH:=xNH; NH2:=xNH2; NO:=xNO; NO2:=xNO2; OH:=xOH; CHO:=xCHO; COOH:=xCOOH; CN:=xCN;
- SH:=xSH; SO2H:=xSO2H; SO3H:=xSO3H; !SH:=!xSH;
+ CONH2:=xCONH2; xSH:=xSH; SO2H:=xSO2H; SO3H:=xSO3H; !SH:=!xSH;
!CH3:=!xCH3; !OH:=!xOH; !NH2:=!xNH2; !CHO:=!xCHO; !COOH:=!xCOOH; !CN:=!xCN; !NO2:=!xNO2; enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-vardef mc_check(expr s)=
+vardef checkm(expr s)=
save mc_char,err_cnt,char_cnt,f_depth,cnt_prn_s,cnt_prn_e,cnt_brc_s,cnt_brc_e,cnt_brk_s,
cnt_brk_e,cmm_adr;
string err_str[],err_type[];
@@ -1550,24 +1498,32 @@
enddef;
%-------------------------------------------------------------------------------------------------
def proc_err(expr e,n)= err_adr[incr err_cnt]:=n; err_code[err_cnt]:=e;
- if e<=6: err_str[err_cnt]:=" "; else: err_str[err_cnt]:=substring(n-3,n+2) of mc; fi enddef;
+ if e<=6: err_str[err_cnt]:=" "; else: err_str[err_cnt]:=substring(n-3,n+2) of mc; fi
+enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-def mc_query(text s)=
+def savem(expr s)=
+ file_output:=s;
+ for i=1 upto unitcount: for j=1 upto unit_lines[i]: printf row[i][j]; endfor endfor
+ closefrom file_output;
+enddef;
+%-------------------------------------------------------------------------------------------------
+def loadm(text s)=
begingroup
- save f_mcf,f_line,unit_row,unit_cnt,line_s,row_cnt,semic_cnt,info_cnt,order,min_n,max_n,firstc,
+ save f_mcf,f_line,lines,unit_cnt,row_s,row_cnt,semic_cnt,info_cnt,order,min_n,max_n,firstc,
sign_at,sign_n,filter_n,filter_tag,filter_var,filter_sign,filter_cnt,filter_p,lib_unit_cnt,
- at_colon,at_equal,at_less,at_greater,at_n,sort_tbl,key_s,sort_s,sign_s,sV,sS,sT,sort_oder;
- string line_s[][],sort_s,sort_tbl[],key_s,filter_tag[],filter_var[],sign_s[],sV,sS,sT,firstc;
+ at_colon,at_equal,at_less,at_greater,at_n,sort_tbl,key_s,sort_s,sign_s,sV,sS,sT,sort_oder,
+ tag_s,val_s;
+ string row_s[][],sort_s,sort_tbl[],key_s,filter_tag[],filter_var[],sign_s[],sV,sS,sT,firstc,
+ tag_s[][],val_s[][];
numeric row_cnt[],order[],order_tbl[],filter_sign[],filter_p[];
- unit_row:=f_mcf:=mc_row:=info_cnt:=filter_cnt:=lib_unit_cnt:=0; unit_cnt:=1;
- file_input:=default_library; file_output:=default_temp_file;
+ lines:=f_mcf:=mc_row:=info_cnt:=filter_cnt:=lib_unit_cnt:=0; unit_cnt:=1;
+ file_input:=default_library;
sign_s[1]:="="; sign_s[2]:="<>"; sign_s[3]:="<"; sign_s[4]:=">"; sign_s[5]:="<=";
sign_s[6]:=">=";
%-----------------------------------------------------------------------------------------------
for list=s:
at_colon:=scan_c(":",list); at_equal:=scan_c("=",list); at_less:=scan_c("<",list);
- at_greater:=scan_c(">",list);
- key_s:="";
+ at_greater:=scan_c(">",list); key_s:="";
%---------------------------------------------------------------------------------------------
if at_colon>=2: sign_at:=at_colon; sign_n:=0; at_n:=1;
ef at_equal>=2: if (at_equal-1)=at_less: sign_at:=at_equal; sign_n:=5; at_n:=2;
@@ -1575,12 +1531,12 @@
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_c(".",sV)=0: file_input:=sV&".mcf"; else: file_input:=sV; fi
- ef sT="o": if scan_c(".",sV)=0: file_output:=sV&".aux"; else: file_output:=sV; fi
ef sT="a": key_s:=sV; sort_oder:=0;
ef sT="d": key_s:=sV; sort_oder:=1;
fi
@@ -1587,19 +1543,22 @@
else:
filter_tag[incr 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 fi
+ else: filter_var[filter_cnt]:=sV;
+ fi
+ fi
endfor
%-----------------------------------------------------------------------------------------------
forever:
temps:=readfrom file_input; exitif temps=EOF; firstc:=subc(1,temps);
- if firstc<>"%":
- line_s[unit_cnt][incr unit_row]:=temps;
+ if (firstc<>"%")or(sw_comment=1):
+ row_s[unit_cnt][incr lines]:=temps;
if firstc=";":
- row_cnt[unit_cnt]:=unit_row; f_mcf:=unit_row:=0; filter_n:=1;
+ row_cnt[unit_cnt]:=lines; f_mcf:=lines:=0; filter_n:=1;
for i=1 upto filter_cnt: filter_p[i]:=0; endfor
sort_s:="";
for i=1 upto info_cnt:
get_tag_var(arg_s[i])(sT,sV);
+ tag_s[unit_cnt][i]:=sT; val_s[unit_cnt][i]:=sV;
if sT=key_s: if is_num(sV)=1: sort_s:=fix_num(sV); else: sort_s:=sV; fi fi
for j=1 upto filter_cnt:
if filter_tag[j]=sT:
@@ -1610,27 +1569,35 @@
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 fi endfor
+ ef filter_sign[j]=6: if not(temps>=filter_var[j]): filter_n:=0; fi
+ fi
+ fi
+ endfor
endfor
for i=1 upto filter_cnt: if filter_p[i]=0: filter_n:=0; fi endfor
info_cnt:=0; lib_unit_cnt:=lib_unit_cnt+1;
if filter_n=1: if key_s<>"": sort_tbl[unit_cnt]:=sort_s; fi unit_cnt:=unit_cnt+1; fi
ef (firstc=":")or(firstc="="): f_mcf:=1; mc_row:=1;
- ef firstc<>"%":
- if f_mcf=1: mc_row:=mc_row+1; else: info_cnt:=split_str(temps,";")(arg_s); fi fi
+ ef (firstc<>"%")or(sw_comment=1):
+ if f_mcf=1: mc_row:=mc_row+1;
+ else: info[unit_cnt]:=info_cnt:=split_str(temps,";")(arg_s);
+ fi
+ fi
fi
endfor
- unit_cnt:=unit_cnt-1;
+ unitcount:=unit_cnt:=unit_cnt-1;
%=============================================================================================
- printf "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%";
- printf "% Input : "&file_input&" ["&decimal(lib_unit_cnt)&"]";;
- printf "% Output : "&file_output&" ["&decimal(unit_cnt)&"]";
+ message "* Input : "&file_input&" ["&decimal(lib_unit_cnt)&"]";
+ message "* Output : unitcount ["&decimal(unitcount)&"]";
if filter_cnt>=1:
for i=1 upto filter_cnt:
- printf "% Filter("&decimal(i)&"): "&filter_tag[i]&" "&sign_s[filter_sign[i]]&filter_var[i];
+ message "* Filter("&decimal(i)&"): "&filter_tag[i]&" "&sign_s[filter_sign[i]]&filter_var[i];
endfor
- if key_s<>"": printf "% Sort key : "&key_s&iif(sort_oder=0," (ascending)"," (descending)"); fi
- printf "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%";
+ if key_s<>"":
+ message "* Sort key : "&key_s&iif(sort_oder=0," (ascending)"," (descending)");
+ fi
+ fi
+ message "";
%-----------------------------------------------------------------------------------------
if key_s<>"":
for i=1 upto unit_cnt: order[i]:=0; endfor
@@ -1645,11 +1612,23 @@
order[max_n]:=i; order_tbl[i]:=max_n;
fi
endfor
+ %---------------------------------------------------------------------------
for i=1 upto unit_cnt:
- for j=1 upto row_cnt[order_tbl[i]]: printf line_s[order_tbl[i]][j]; endfor
+ for j=1 upto info[order_tbl[i]]:
+ lib_tag[i][j]:=tag_s[order_tbl[i]][j]; lib_val[i][j]:=val_s[order_tbl[i]][j];
+ endfor
+ unit_lines[i]:=row_cnt[order_tbl[i]];
+ for j=1 upto row_cnt[order_tbl[i]]: row[i][j]:=row_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 fi
- closefrom file_input; closefrom file_output;
+ %-------------------------------------------------------------------------
+ else:
+ for i=1 upto unit_cnt:
+ for j=1 upto info[i]: lib_tag[i][j]:=tag_s[i][j]; lib_val[i][j]:=val_s[i][j]; endfor
+ unit_lines[i]:=row_cnt[i];
+ for j=1 upto row_cnt[i]: row[i][j]:=row_s[i][j]; endfor
+ endfor
+ fi
+ closefrom file_input;
endgroup;
enddef;
%=============================================================================================
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2023-05-07 15:06:34 UTC (rev 67041)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2023-05-07 19:25:26 UTC (rev 67042)
@@ -1,58 +1,32 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format by Akira Yamaji 2023.01.29
+% MCF metapost souce file example by Akira Yamaji 2023.05.07
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 4.92
-message "* mcf_exa_soc 2023.01.29";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.00
+message "* mcf_template 2023.05.07";
message "";
%------------------------------------------------------------------------------
-%%%%sw_frame:=Outside;
-%%%%sw_numbering:=Bond;
-%%%%sw_numbering:=Atom;
-%%%%sw_frame:=Atom;
-%%%%sw_expand:=1;
-tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
+fsize:=(30mm,20mm);
+max_blength:=4mm;
+%%%%sw_output:=Fig+Info;
+%%%%sw_output:=Fig+Calc;
+%ext(defaultscale:=.3; label.rt(EN,(0,0));)
%------------------------------------------------------------------------------
-%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="p%3c-%{EN_}.png";
-%% outputformat:="eps"; outputtemplate:="%j-%3c.eps";
-%------------------------------------------------------------------------------
-%ext(defaultscale:=.3; label.rt(inf_EN,(0,0));)
-%------------------------------------------------------------------------------
-%sw_output:=Fig+Info;
%ext(defaultfont:=mpfont; defaultscale:=.3;
-%label.rt(inf_EN&" / "&cal_MW&" / "&decimal(num_MW-scantokens(inf_MW)),(0,0));)
+%label.rt(EN&" / "&cal_MW&" / "&decimal(num_MW-scantokens(MW)),(0,0));)
%------------------------------------------------------------------------------
-%%%%mc_query("Cat=biological","MW<200","a:MW");
-%%%%mc_query("Cat=biological","MW<50.0","a:EN");
-%%%%mc_query("Cat=biological","MW>=150","MW<=200","a:EN");
-%%%%mc_query("Cat=biological","MW>=100","MW<=250","a:MW");
-%******************************************************************************
-fsize:=(35mm,24mm);
-max_blength:=4mm;
-mc_length:=20;
+%%%%loadm("CAT=biological","MW<200","a:MW");
+%%%%loadm("CAT=biological","MW<50.0","a:EN");
+%%%%loadm("CAT=biological","MW>=285","MW<=288","a:EN");
+%%%%sw_comment:=1; loadm("CAT=biological","MW>=100","MW<=250","a:MW");
+%%%%savem("temp.mcf"); % save to temp.mcf
+%%%%loadm("EN<>*"); % select all
+loadm("EXA=1"); % select EXA=1
%------------------------------------------------------------------------------
-message "* outputformat="&outputformat;
-message "* outputtemplate="&outputtemplate;
-if outputformat="png": message "* hppp="&decimal(hppp)&"/vppp="&decimal(vppp); fi
-message "* atomfont="&atomfont; message "* defaultfont="&defaultfont;
-message "";
-%------------------------------------------------------------------------------
-%%%% beginfigm("t:EN","v:Caffeine") % select EN=Caffeine
-forever:
-%%%% beginfigm("f:mcf_library","v+:*") % 'mcf_library.mcf'(default)
-%%%% beginfigm("f:temp","v+:*") % use query output 'temp.mcf'
-%%%% beginfigm("v+:*") % select all
-%%%% beginfigm("t:EXA","v+:1","* defaultscale:=.3; label.rt(inf_EN,(0,0));")
-%%%% beginfigm("t:EXA","v+:1","+ defaultscale:=.5; label(decimal(fig_num),p0);")
-%%%% beginfigm("t:EXA","v+:1","= sw_frame:=Outside;")
- beginfigm("t:EXA","v+:1") % 'v+:1': select EXA=1
- if f_EOF=0:
- if op_row>=1: scantokens(op) fi
- if mc_check(mc)=0: MC(scantokens(mc)) fi
- if ex_row>=1: ext(scantokens(ex)) fi
- if ad_row>=1: add(scantokens(ad)) fi
- fi
+for i=1 upto unitcount:
+ beginfigm
+ getm(i);
+ putm;
endfigm
- exitif f_EOF=1; % exit if file end
endfor
%******************************************************************************
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2023-05-07 15:06:34 UTC (rev 67041)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2023-05-07 19:25:26 UTC (rev 67042)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2023.01.29
+% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2023.05.07
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.92
+% ** mcf2graph.mf must be version 5.00
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
%-------------------------------------------------------------------------
@@ -11,12 +11,6 @@
\mplibcodeinherit{enable}
\mplibnumbersystem{double}
\mpliblegacybehavior{disabled}
-\begin{mplibcode}
- input mcf2graph;
- sw_output:=Fig+Calc;
- fsize:=(35mm,24mm);
- max_blength:=4mm;
-\end{mplibcode}
%-------------------------------------------------------------------------
\pagestyle{empty}
\topmargin=-24mm
@@ -36,7 +30,7 @@
Located at : http://www.ctan.org/pkg/mcf2graph
\end{center}
{\small *typeset with LuaLaTeX \quad
- *use molecular library file 'mcf\_library.mcf' \\
+ *use molecular library file 'main\_lib.mcf' \\
** FM(fm):molecular formula (calculated) \quad
* MW(mw):molecular weight (calculated)} \vspace{3mm} \\
\fi%
@@ -50,48 +44,53 @@
\fig at num=0%
\col at num=0%
\unitlength=0.01mm%
-\edef\zero{0}%
\noindent%
%-------------------------------------------------------------------------
\newif\ifCONT@%
\CONT at true%
+%-------------------------------------------------------------------------
+\begin{mplibcode}
+ input mcf2graph;
+ sw_output:=Fig+Calc;
+ fsize:=(35mm,24mm);
+ max_blength:=4mm;
+ loadm("EXA>=1","EXA<=2","a:EXA");
+\end{mplibcode}
+%-------------------------------------------------------------------------
\loop%
\advance\fig at num\@ne\relax%
\advance\col at num\@ne\relax%
+\ifnum\fig at num=156 \CONT at false%
+\else%
\sbox{\fig at box}{%
\begin{mplibcode}
- beginfigm("t:EXA","v+:1")
- if mc_check(mc)=0:
- MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}");
- VerbatimTeX("\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}");
- VerbatimTeX("\gdef\fm{"&cal_FM&"}");
- fi
+ beginfigm
+ getm(fig_num);
+ if checkm(mc)=0:
+ cv(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&EN&"}");
+ VerbatimTeX("\gdef\MW{"&MW&"}");
+ VerbatimTeX("\gdef\mw{"&mw&"}");
+ VerbatimTeX("\gdef\fm{"&fm&"}");
+ fi
endfigm
- VerbatimTeX("\gdef\EOF{"&decimal(f_EOF)&"}");
\end{mplibcode}
}%
%------------------------------------------------------------------------
-\ifx\EOF\zero%
+ \message{[\the\fig at num:\EN]}%
\begin{picture}(3750,3350)%
\put(20,3000){\footnotesize\bf \EN}%
- \put(20,2750){\labelM mw:\mw { / }fm:\fm}%
- \put(20,2530){\labelM MW:\MW { / }[\the\fig at num]}%
+ \put(20,2750){\labelM MW:\MW { / }fm:\fm}%
+ \put(20,2530){\labelM mw:\mw { / }[\the\fig at num]}%
\put(0,0){\makebox(3750,2530){\usebox{\fig at box}}}%
\end{picture}%
\ifnum\col at num=5 \\ \col at num=\z@ \fi%
-\else%
- \CONT at false%
\fi%
%------------------------------------------------------------------------
-\message{[\the\fig at num:\EN]}%
-\ifCONT@ \repeat%
+\ifCONT@\repeat%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF example with Mcode
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{mplibcode}
- fsize:=(35mm,34mm);
+ fsize:=(50mm,34mm);
fmargin:=(1mm,1mm);
max_blength:=4mm;
row_h:=3.8mm;
@@ -106,61 +105,32 @@
enddef;
\end{mplibcode}
%-------------------------------------------------------------------------
-\newcount \fig at num%
-\edef\one{1}%
-\fig at num=0%
-%-------------------------------------------------------------------------
\noindent%
-\begin{mplibcode}
- beginfigm(":<0,0~nb")
- if mc_check(mc)=0:
- MC(scantokens(mc))
- ext(
- defaultfont:="cmtt9";
- label.lrt("[(No)]",(0,h));
- label.llft("(EXA)",(w,h));
- label.lrt("(Structure)",(8mm,18mm));
- label.lrt("(Name)",(w,h));
- label.lrt("(Category)",(75mm,h));
- label.lrt("(MW)*1",(105mm,h));
- label.lrt("(mw)*2",(130mm,h));
- label.lrt("(fm)*3",(155mm,h));
- label.lrt("(Molecular_Coding_Format)",(46mm,18mm));
- label.lrt("*1_(MW):Molecular_weight(data)",(105mm,26mm));
- label.lrt("*2_(mw):Molecular_weight(calculated)",(105mm,21mm));
- label.lrt("*3_(fm):Molecular_formula(calculated)",(105mm,16mm));
- make_frame;
- )
- fi
- endfigm
- fig_num:=0;
-\end{mplibcode}\vspace{-1.2pt}\\
-%------------------------------------------------------------------------
\CONT at true%
\loop%
\advance\fig at num\@ne\relax%
+\ifnum\fig at num=165 \CONT at false%
+\else%
\begin{mplibcode}%
-%%%%%% beginfigm("t:EXA","v+:*")
-%%%%%% beginfigm("t:EXA","v+:1")
-%%%%%% beginfigm("t:EXA","v+:9")
- beginfigm("t:EXA","v+:2")
- if mc_check(mc)=0:
- MC(scantokens(mc))
+ beginfigm
+ getm(fig_num);
+ if checkm(mc)=0:
+ cv(scantokens(mc))
ext(
defaultfont:="cmtt9";
label.lrt("["&decimal(fig_num)&"]",(0,h));
- label.llft(inf_EXA,(w,h));
- if length(inf_EN)>23:
+ label.llft(EXA,(w,h));
+ if length(EN)>23:
nA:=defaultscale;
- defaultscale:=23/length(inf_EN); label.lrt(inf_EN, (w,h));
+ defaultscale:=23/length(EN); label.lrt(EN, (w,h));
defaultscale:=nA;
else:
- label.lrt(inf_EN, (w,h));
+ label.lrt(EN, (w,h));
fi
- label.lrt(inf_Cat,(75mm,h));
- label.lrt(inf_MW,(105mm,h));
- label.lrt(cal_MW,(130mm,h));
- label.lrt(cal_FM,(155mm,h));
+ label.lrt(CAT,(75mm,h));
+ label.lrt(MW,(105mm,h));
+ label.lrt(mw,(130mm,h));
+ label.lrt(fm,(155mm,h));
make_frame;
if mc_row>12: defaultscale:=0.6; row_h:=5.25;
ef mc_row>8: defaultscale:=0.8; row_h:=6.5;
@@ -170,13 +140,12 @@
label.lrt(mc[i],(w+mc_indent[i]*4.25,h-(i-1)*row_h-11.5));
endfor
)
- VerbatimTeX("\gdef\EN{"&inf_EN&"}");
+ VerbatimTeX("\gdef\EN{"&EN&"}");
fi
endfigm
- VerbatimTeX("\gdef\EOF{"&decimal(f_EOF)&"}");
\end{mplibcode}\vspace{-1.2pt}\\
%------------------------------------------------------------------------
-\ifx\EOF\one \CONT at false \fi%
+\fi%
\message{[\the\fig at num:\EN]}%
\ifCONT@ \repeat%
%------------------------------------------------------------------------------
Deleted: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf 2023-05-07 15:06:34 UTC (rev 67041)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf 2023-05-07 19:25:26 UTC (rev 67042)
@@ -1,2865 +0,0 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file mcf_library.mcf by Akira Yamaji 2023.01.29
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% tag1:var1;tag2:var2;tag3:var3 .....
-% first character of line "%" comment out
-% first character of line ":" start MCF
-% first character of line "=" start parameter setting
-% first character of line "*" start ext(...)
-% first character of line "+" start add(...)
-% first character of line ";" stop MCF
-% Cat = Category,EN = Name,MW = Molecular weight
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-Cat:Category;EN:Example;MW:100.00;EXA:%
-=
- sw_frame:=Atom;
-:
-<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
-*
- defaultscale:=.5;
- label.bot(decimal(fig_num)&":"&inf_EN,(.5w,0));
-+
- defaultscale:=.3;
- label.bot("A2",A2) withcolor red;
- label.top("A6",A6) withcolor red;
- label.top("A9",A9) withcolor red;
-;
-%==============================================================================
-% molecular data for mcf_example.tex EXA:1[155] EXA:2[7] EXA:*[525]
-%==============================================================================
-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
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Guanine;MW:151.13;EXA:1
-:
-<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Cytosine;MW:111.10;EXA:1
-:
-<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Thymine;MW:126.11;EXA:1
-:
-<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Uracil;MW:112.09;EXA:1
-:
-<30,?6,6=dl,{3,5}://O,{2,4}:NH
-;
-%== Amino acid ================================================================
-Cat:biological;EN:Glycine;MW:75.07;EXA:-
-:
-<30,NH2,!2,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Glycine;MW:75.07;EXA:-
-:
-<30,NH2,!2,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Alanine;MW:89.10;EXA:-
-:
-<30,NH2,!~wb,?!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Valine;MW:117.15;EXA:-
-:
-<30,NH2,!~wb,/?!,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Leucine;MW:131.16;EXA:1
-:
-<30,NH2,!~wb,/!?!,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Isoleucine;MW:131.16;EXA:-
-:
-<30,NH2,!~wb,/'(/*_,!2),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Serine;MW:105.09;EXA:-
-:
-<30,NH2,!~wb,/!OH,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Threonine;MW:119.12;EXA:-
-:
-<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Cysteine;MW:121.16;EXA:-
-:
-<30,NH2,!~wb,/!SH,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Methionine;MW:149.21;EXA:-
-:
-<30,NH2,!~wb,/'(!2,S,!),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Phenylalanine;MW:165.19;EXA:-
-:
-<30,NH2,!~wb,/!Ph,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Tyrosine;MW:181.19;EXA:-
-:
-<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Triptophan;MW:204.21;EXA:-
-:
-<30,NH2,!~wb,!,COOH, at 2,\,!,<24,|,?5,{2',5}=dl,2=Ph,4:NH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Proline;MW:115.13;EXA:-
-:
-<18,?5,3:NH,4:*/COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Glutamine;MW:146.15;EXA:-
-:
-<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!,//O,!,NH2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Asparagine;MW:132.12;EXA:-
-:
-<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Aspartic acid;MW:133.10;EXA:-
-:
-<30,NH2,!~wb,/!COOH,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Glutamic acid;MW:147.13;EXA:-
-:
-<30,NH2,!~wb,/'(!2,COOH),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Lysine;MW:146.19;EXA:-
-:
-<30,NH2,!~wb,/'(!4,NH2),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Arginine;MW:174.21;EXA:-
-:
-<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!2,NH,!,//NH,!,NH2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Hystidine;MW:155.16;EXA:-
-:
-<30,NH2,!~wb,!,COOH, at 2,\,!,|,?5,{1,3}=dl,3:N,5:NH
-;
-%==============================================================================
-Cat:biological;EN:L-DOPA;MW:197.19;EXA:-
-:
-<30,NH2,!~wb,!,COOH, at 2,\,!,Ph,{-3,-4}:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Ornithine;MW:132.16;EXA:-
-:
-<30,NH2,!~wb,/'(!3,NH2),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Citrulline;MW:175.2;EXA:-
-:
-<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:GABA;MW:103.12;EXA:-
-:
-<30,NH2,!4,COOH
-;
-%==============================================================================
-Cat:biological;EN:Citrate;MW:192.12;EXA:-
-:
-<30,COOH,!,!2`1.2,!,COOH, at -4`1,\,COOH,4:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:cis-Aconitate;MW:174.11;EXA:-
-:
-<30,COOH,!2,!!,!,COOH, at -4`1,\,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Isocitrate;MW:192.12;EXA:-
-:
-<30,COOH,!4,COOH, at -3,\`1,COOH,4:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Oxalosuccinate;MW:190.11;EXA:-
-:
-<30,COOH,!,!2`1.2,//O,!,COOH, at -4,\`1,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:alfa-Ketoglutarate;MW:146.1;EXA:-
-:
-<30,COOH,!3,//O,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Succinate;MW:118.09;EXA:-
-:
-<30,COOH,!3,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Fumarate;MW:116.07;EXA:-
-:
-<30,COOH,!,!!,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Malate;MW:132.07;EXA:-
-:
-<30,COOH,!3,COOH,3:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Oxaloacetate;MW:132.07;EXA:-
-:
-<30,COOH,!,//O,!2,COOH
-;
-%==============================================================================
-Cat:biological;EN:Glucose 1;MW:180.16;EXA:1
-:
-<30,?6,5:O,2:*/OH,{1,3}:/*OH,4:*/*OH,6:*/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Glucose 2;MW:180.16;EXA:1
-:
-<-30,OH,!2,*/OH,!,/*OH,!,/*OH,!,/*OH,!,//O,!,H
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:D-Glucose;MW:180.16;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Fructose 1;MW:180.16;EXA:1
-:
-<30,OH,!2,/*OH,!,*/OH,!,*/OH,!,//O,!2,OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Fructose 2;MW:180.16;EXA:1
-:
-<-18,?5,5:O,1^-48:*/*!OH,1^48:/OH,{2',3}:*/OH,4:/*!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:D-Fluctose;MW:180.16;EXA:1
-:
-Pyranose_hp,#.5,1^$-90:/OH,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:D-Galactose;MW:180.16;EXA:1
-:
-hexose_hp,#.5,{1^$90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:D-Mannose;MW:180.16;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,3^$90,4^$-90}:/OH,6^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:L-Fucose;MW:164.16;EXA:1
-:
-hexose_hp,#.5,{1^$-90,,2^$-90,3^$90,4^$90}:/OH,6^$-90:/_
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:D-Ribose;MW:150.13;EXA:1
-:
-Pyranose_hp,#.5,{2^$-90,3^$-90,4^$90}:/OH,1^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:D-Deoxyribose;MW:134.13;EXA:1
-:
-Pyranose_hp,#.5,{2^$-90,4^$90}:/OH,1^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:D-Glucosamine;MW:179.17;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90:/NH2,6^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:N-acetyl-Glucosamine;MW:221.21;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90>lr:/NHCO!,6^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Glucuronic acid;MW:194.14;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Maltose;MW:342.3;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
- @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0,
- |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Sucrose;MW:342.3;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
- @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0,
- |,#1.4,-35~wf_r,35~bd_r`1,30~wb_r,130`1.66,O,&1,##,
- #.5,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Lactose;MW:342.3;EXA:1
-:
-hexose_hp,#.5,{1^$90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
- @4,$0~arc_ltr,O,$0~arc_lbr,
- |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Cellobiose;MW:342.3;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
- @4,$0~arc_lbr,O,$0~arc_ltr,
- |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Trehalose;MW:342.3;EXA:1
-:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
- @4,@(1,0),|,hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
- ||, at 4,$-37~arc_lb`3.25,O,&10~arc_br
-;
-%==============================================================================
-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:-
-:
-<30,?6,2=dl,2:/_, at 5,*\,/_,!!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:l-Menthol;MW:156.27;EXA:1
-:
-<30,?6,2:/*?!,5:*/_,3:*/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Allicin;MW:162.28;EXA:1
-:
-<-30,!!,!2,SO,!,S,!2,!!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Benzoic acid;MW:122.12;EXA:-
-:
-<30,Ph,3:/COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Gallic acid;MW:170.12;EXA:-
-:
-<30,Ph,3:/COOH,{1,5,6}:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Salicylic acid;MW:138.12;EXA:-
-:
-<30,Ph,3:/COOH,4:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Cinnamic acid;MW:148.16;EXA:-
-:
-<30,Ph, at 3,\,!!,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Cinnamaldehyde;MW:132.16;EXA:-
-:
-<30,Ph, at 3,\,!!,!,CHO
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Caffeic acid;MW:180.16;EXA:1
-:
-<30,Ph,{1,6}:/OH, at 3,\,!!,!,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Vanillin;MW:152.15;EXA:1
-:
-<30,Ph,2:/OH,3:/O!,5:/CHO
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Stearic acid;MW:284.48;EXA:1
-:
-<30,!17,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Linoleic acid;MW:280.45;EXA:1
-:
-<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Sphingosine;MW:299.50;EXA:1
-:
-<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Tocopherol;MW:430.717;EXA:1
-:
-<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Thiamine;MW:265.35;EXA:1
-:
-<30,Ph,4:/NH2, at 3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
- @-3,\^-12,!2,OH,8:p_^72
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Riboflavin;MW:376.37;EXA:1
-:
-<30,Ph,{3,9}=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
- @10,\`1.5,!,*/OH,!,/*OH,!,*/OH,!2,OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Nicotinic acid;MW:123.11;EXA:1
-:
-<30,Ph,2:N,4:/COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Nicotinamide;MW:122.12;EXA:1
-:
-<30,Ph,2:N,4:/CONH2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Pantothenic acid;MW:219.23;EXA:1
-:
-<30,OH,!8,COOH,3:??,4^35:/*H,4^-20:*/OH,5://O,6:NH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Pyridoxine;MW:169.18;EXA:1
-:
-<30,Ph,2:N,3:/_,4:/OH,{5,6}:/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Biotin;MW:244.31;EXA:1
-:
-<18,?5,4=?5,2:S,{6,8}:NH,7://O,{4^-54,5^54}:*/H,
- @3,\*^-12,!4,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Folic acid;MW:441.3975;EXA:1
-:
-<30,?6,3=Ph2,1=dl,{2,7,10}:N,6:NH,5://O,1:/NH2,
- @9,\,!,NH,!,Ph, at -3,\,//O,!,NH,!,/*COOH,!3,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Carotene;MW:536.8726;EXA:1
-:
-<30,?6,4=dl,3:??,5:/_,
- @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,?6,-6=dl,-5:/_,-1:??
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Adrenalin;MW:183.21;EXA:1
-:
-<30,Ph,{1,6}:/OH, at 4,\,*/OH,!2,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Caffeine;MW:194.194;EXA:1
-:
-<30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Nicotine;MW:162.23;EXA:1
-:
-<30,Ph,2:N, at 4,\,?5,8:N!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Capsaicin;MW:305.418;EXA:1
-:
-<30,Ph,1:/OH,6:/O!, at 4,\,!,NH,!,//O,!7,?!,-3=dl
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Gibberellin A3;MW:346.379;EXA:1
-:
-<18,?5,3=?7,5=?6[12], at 8,160`1.3,&3,13=dl,6=wf,8=wb,
- @5,40~zf`1,O,50,//O^180,&14~zb,2:/COOH,7://_,{13,8'}:*/OH,14:*/_,{1,4}:*/H^60
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Cholesterol;MW:386.664;EXA:1
-:
-<30,?6,{-4,-2}=?6,-4=?5,7=dl,
- 1:*/OH,{4,12}:*/_^60,{9'^60,10^180,11^-60,-1^-60}:/*H, at -1,17,/*_,!4,?!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Resveratrol;MW:228.24;EXA:1
-:
-<30,Ph, at 4,\,!!,!,Ph,{2,6,-3}:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Glutathione;MW:307.33;EXA:1
-:
-<-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Trenbolone;MW:270.37;EXA:1
-:
-<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,{9^60,11'^-60}:*/H
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Luciferin;MW:280.33;EXA:1
-:
-<30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Chlorophyll a;MW:893.509;EXA:1
-:
-<-36,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5, at 6,22,70,&8,##,
- {4,6,8,10,14,16,18,21,23,27}=dl, at 4,\`1.48~vf,Mg,&17~vb, at 11,&27, at 27,&23,
- {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O,
- @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Alizarin;MW:240.21;EXA:1
-:
-<30,Ph,3=?6,-3=Ph2,{7,10}://O,{13,14}:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Indigo;MW:262.26;EXA:1
-:
-<30,Ph,3=?5, at -2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:6,6'-dibromoindigo;MW:420.0549;EXA:1
-:
-<30,Ph,3=?5, at -2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O,{1,-2}:/Br
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Carminic Acid;MW:492.39;EXA:1
-:
-<30,Ph,3=?6,-3=Ph2,{7,10}://O,{2,5,6,13}:/OH,11:/_,12:/COOH,
- @1,\~wb`1,?6,-5:O,{-1,-2',-3}:/*OH,-4:*/!OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Curcumin;MW:368.38;EXA:1
-:
-<30,Ph, at 3,\,!7,Ph,{8,13}=dr,{9,11}://O,{6,-3}:/OH,{5,-4}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Berberine;MW:336.36;EXA:1
-:
-<30,Ph,3=Ph,-3=?6,-2=Ph2,-3=?5,8:N,8:p_^60,{-1,-3}:O,{1>vt,2}:/!OH
-;
-%==============================================================================
-Cat:biological;EN:Apigenin;MW:270.24;EXA:-
-:
-<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14}:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Luteolin;MW:286.24;EXA:-
-:
-<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14,15}:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Flavone;MW:222.24;EXA:1
-:
-<30,Ph,3=?6,9=dl,10:O,7://O,9:/Ph,
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Isoflavone;MW:222.24;EXA:-
-:
-<30,Ph,3=?6,9=dl,10:O,7://O,8:/Ph,
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Flavanone;MW:224.25;EXA:-
-:
-<30,Ph,3=?6,10:O,7://O,9:/Ph,
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Flavonol;MW:238.24;EXA:1
-:
-<30,Ph,3=?6,9=dl,10:O,7://O,8:/OH,9:/Ph,
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Cianidanol;MW:290.27;EXA:1
-:
-<30,Ph,3=?6, at 8,*\,Ph,7:O,{1,5,9~zf,13,14}:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Quercetin;MW:302.24;EXA:1
-:
-<30,Ph,3=?6, at 9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH
-;
-%==============================================================================
-Cat:biological;EN:Limonin;MW:470.518;EXA:1
-:
-<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,{4^60,8'^60}:*/_,18:??,{1^60,5^180,16^60}:/*H,
- @14,\*,|,?5,{1,4}=dl,3:O
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Cromolyn;MW:468.37;EXA:1
-:
-<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
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Emetine;MW:480.649;EXA:1
-:
-<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,
- @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Acronycine;MW:321.376;EXA:1
-:
-<30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Piperine;MW:285.343;EXA:1
-:
-<30,Ph,-1=?5,{-1,-3}:O, at 4,\,!!,!,!!,!,//O,!,?6,-6:N
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Febrifugine;MW:301.34;EXA:1
-:
-<30,Ph,3=?6, at 9,8=dl,\,!2,!~zb,?6,{7,9}:N,-5:NH,{10,12}://O,-1:*/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Hypericin;MW:504.44;EXA:1
-:
-<30,Ph,{-4,-3,11--4,16---17,19,23---24,22--29}=?6,
- {12,14,16,17,22',24,26,28,33,35}=dl,
- {7,25}://O,{13,26}:/_, {2,6,11,21,23,28}:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Camphor;MW:152.23;EXA:1
-:
-#1,15,-30,90,90,30,##,&1, at 2,0~si_`1.6,&5,{-1^45,-1^-65,5^-45}:/_,4://O
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Sparteine;MW:234.3803;EXA:1
-:
-<30,?6,3=?6,9=wf,10=wb, at 8,#1,60,60,N,60,##,&10,-3=?6,3:N,{4^60,11'^-60}:*/H
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Mitomycine C;MW:334.332;EXA:1
-:
-<30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N,
- 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,@$9,\,!,O,60,//O,!,NH2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Podophyllotoxin;MW:414.41;EXA:1
-:
-<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^-60,12'^60}:*/H
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Warfarin;MW:308.333;EXA:1
-:
-<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O, at 8,\,/Ph`1,60,!,//O,!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Genistein;MW:270.24;EXA:1
-:
-<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O, at 8,\,Ph,-3:/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Baicalein;MW:270.24;EXA:1
-:
-<30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O, at 8,\,Ph
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Reserpine;MW:608.688;EXA:1
-:
-<54,Ph,-4=?5,{-2,-4,-3}=?6,9=dl,11:N,7:NH,{10'^-60,15^-60,16^60}:/*H,
- @20,*\,O,!,//O,!,Ph,{-2,-3,-4,1,19~zf>rl}:/O!,18:*/COO!>lr
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Rotenone;MW:394.423;EXA:1
-:
-<-60,?5,{-3,-2,-3,-4}=?6,{3',7,9,17',-2,-4}=dl,
- {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!, at 1,*\,/_,!!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Pyrethrin I;MW:328.452;EXA:1
-:
-<30,?3,{3^35,3'^-35}:*/_, at 1,*\,!!,?!,
- @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O, at -2,\,!4,{-1,-3}=dl
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Oseltamivir;MW:312.40;EXA:1
-:
-<30,?6,3=dl,6:*/NH2, at 1,\*,NH,!,//O,!, at 2,*\,O,!,/!,!2, at 4,\,//O,!,O,!2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Paclitaxel;MW:853.918;EXA:1
-:
-?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
- 4:??,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>rl,12'^-15>lr}:*/OCO!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Mevastatin;MW:390.52;EXA:1
-:
-<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,
- @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH, at 5,\*,O,60,//O,!,*/_,!2
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Sesamine;MW:354.35;EXA:1
-:
-<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Morphine;MW:285.343;EXA:1
-:
-<30,Ph,{2,-4}=?6,1---12=?5,-1:O,-1=zb,
- @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Quinine;MW:324.424;EXA:1
-:
-<30,Ph,3=Ph,7:N,6:/O!,
- @10,\,*/OH,/*H^-60,!,|,?6,2:N,1:*/H^60, at 4,*\,!!, at 2,165~zf,60,&5~zb
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Atoropin;MW:289.375;EXA:1
-:
-<30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1, at 6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Colchicine;MW:399.443;EXA:1
-:
-<30,Ph,{1,2,6}:/O!,{-4,-5}=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Lycorine;MW:287.315;EXA:1
-:
-<30,Ph,{-4,-2}=?6,{6,9--12}=?5,13=dl,8:N,{15,17}:O,
- {9'^180,10^60}:*/H,{13,14'}:*/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Ibotenic acid;MW:158.113;EXA:1
-:
-<18,?5,4=dl,3:O,2:NH,1://O, at 4,-24,/NH2,!COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Illudin S;MW:264.3;EXA:1
-:
-<30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_,
- {1^35,8^35}:*/_,{1'^-35,9}:*/OH,8:/*!OH^-35
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Muscarine;MW:174.26;EXA:1
-:
-<18,?5,2:O,1:*/_,5:/*OH, at 3,*\,48,N,??,p_^180,!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Psilocybin;MW:284.248;EXA:1
-:
-<30,Ph,3=?5,8=dl,9:NH, at 2,\,O,-60,P,//O^-45,/OH^45,90,OH, at 7,\,!,-60,N?!
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Tetrodotoxine;MW:319.27;EXA:1
-:
-#1,<60,-90,60,-30`1.15,150,60,&1, at 3,-135,60,-30`1.15,150,&4,
- @10,\,O,60`1.33,60,&($3)~si_, at 8,-15~si_,O,&12,##,
- @9,45,-60,OH,1^120://NH,{5~zf^-15,7,9^-75,12,13~zf}:/OH,2:NH,6^180:NH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Aflatoxin B1;MW:312.27;EXA:1
-:
-<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
- 2:/O!,{8,11}://O,{15^-54,16^54}:*/H
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Aflatoxin B2;MW:314.3;EXA:-
-:
-<30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O,
- 2:/O!,{8,11}://O,{15^-54,16^54}:*/H
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Aflatoxin G1;MW:328.27;EXA:2
-:
-<30,Ph,6=?6,-2=?6,4=?5,-2=?5,{-2,10}=dl,{7,12,15,18}:O,
- 2:/O!,{8,11}://O,{16^-54,17^54}:*/H
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Aflatoxin G2;MW:330.29;EXA:-
-:
-<30,Ph,6=?6,-2=?6,4=?5,-2=?5,10=dl,{7,12,15,18}:O,
- 2:/O!,{8,11}://O,{16^-54,17^54}:*/H
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Aflatoxin M1;MW:328.3;EXA:-
-:
-<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
- 2:/O!,{8,11}://O,15^-54:*/H,16^54:*/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Aflatoxin M2;MW:330.29;EXA:-
-:
-<30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O,
- 2:/O!,{8,11}://O,15^-54:*/H,16^54:*/OH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Ochratoxin A;MW:403.813;EXA:1
-:
-<30,Ph, at 4,\,!,/*COOH,!`1.2,NH,!`1.2,//O,!,
- Ph,-2:/Cl,-5:/OH,-4=?6,-3:O,-2:*/_,-4://O
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Deoxynivalenol;MW:296.32;EXA:1
-:
-<30,?6,3=?6,5=dl,1://O,6:/_,-1:O,{4'^60,-2}:*/H,7^30:*/_, at 7,72`.9,80`1.3,&9,
- @8,?3,-3=wf_,-1=si_,-1:O,{2,12^18}:/*OH,3:/*!OH^-60`1
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Patulin;MW:154.12;EXA:1
-:
-<30,?6,3=?5,{2,10}=dl,{6,7}:O,5:/OH,8://O
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Citrinin;MW:250.247;EXA:1
-:
-<30,?6,3=?6,{2,5,11}=dl,9:O,1://O,2:/_,{7,8'}:*/_,5:/OH,6:/COOH
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Zearalenone;MW:318.364;EXA:1
-:
-<30,Ph, at 3,#1,\,!5,60,60,!4,&4,##,{1,5,8}=dl,17:O,16:*/_,{1,5}:/OH,{12,18}://O
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Fumonisin B1;MW:721.83;EXA:1
-:
-<30,!19, at 6,*\,O,!,//O,!2,/COOH,!2,COOH, at 7,\*`1.2,O,!,//O,!2,/COOH,!2,COOH,
- {5,9}:/*_,{11,16,18'}:*/OH,19:/*NH2
-;
-%==============================================================================
-Cat:synthetic;EN:Benzene;MW:78.11;EXA:-
-:
-<30,Ph
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Phenol;MW:94.11;EXA:-
-:
-<30,Ph,3:/OH
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Aniline;MW:93.13;EXA:-
-:
-<30,Ph,3:/NH2
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Picric acid;MW:229.10;EXA:-
-:
-<30,Ph,{1,3,5}:/NO2,2:/OH
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1
-:
-<30,Ph,{1,2,3,4,5,6}:/Ph
-;
-%==============================================================================
-Cat:synthetic;EN:Naphthalene;MW:128.17;EXA:-
-:
-<30,Ph,3=Ph
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Anthracene;MW:178.23;EXA:-
-:
-<30,Ph,{3,6}=Ph
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Phenanthrene;MW:178.23;EXA:-
-:
-<30,Ph,{4,6}=Ph
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Naphthacene;MW:228.3;EXA:-
-:
-<30,Ph,{6,3,-3}=Ph
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Chrysene;MW:228.3;EXA:-
-:
-<30,Ph2,{6,4,-4}=Ph
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Pyrene;MW:202.25;EXA:-
-:
-<30,Ph2,{6,4}=Ph,16---7=?6,-2=dl
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Coronene;MW:300.35;EXA:1
-:
-<30,Ph,{1,11--2,15--3,19--4,23--5,27---7}=?6,{9,12,14,17,20,22,25,28,30}=dl
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Kekulene;MW:600.7;EXA:1
-:
-<30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,-2----5,5---- -4}=?6,
- {1,5',7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl
-;
-%==============================================================================
-Cat:synthetic;EN:12-Crown-4;MW:176.21;EXA:-
-:
-<-180,O,30,60,60,O,-30,60,60,O,-30,60,60,O,-30,60,&1
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:15-Crown-5;MW:220.26;EXA:2
-:
-<-180,O,48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,&1
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:18-Crown-6;MW:264.32;EXA:1
-:
-<-180,O,60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,&1
-;
-%==============================================================================
-Cat:synthetic;EN:Porphyrin;MW:310.4;EXA:1
-:
-<9,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5,##,
- {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Sulflower;MW:448.69;EXA:1
-:
-<67.5,?8,{1,3,5,7}=?5, at 11,30`1.15,&12, at 14,30`1.15,&15,
- @17,30`1.15,&18, at 20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
- {10,13,16,19,21,22,23,24}:S
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Arsphenamine x5;MW:915.2;EXA:1
-:
-<18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Melamine;MW:126.12;EXA:1
-:
-<30,Ph,{2,4,6}:N,{1,3,5}:/NH2
-;
-%==============================================================================
-Cat:synthetic;EN:Tartrazine;MW:534.3;EXA:1
-:
-<30,Ph,1:/SO3Na, at 4,\,N,!!,N,!,<-12,?5,{-2,-5}=dl,{-2,-3}:N,-1:/COONa,-4:/OH,
- @-3,-12,Ph,-3:/SO3Na
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Erythrosine;MW:835.9;EXA:1
-:
-<30,Ph,{3,9}=?6,{8,13,16}=dl,10:O,-2://O,{1,5,12,14}:/I, at 7,\,Ph,-1:/COOH,6:/OH
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Sudan red 1;MW:248.28;EXA:1
-:
-<30,Ph,1=Ph,4:/OH, at 3,\,N,!!,N,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Basic blue 1;MW:319.86;EXA:
-:
-<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_, at 2,@(3.5,1.5),Cl,n_^15
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Disperse violet 1;MW:238.25;EXA:1
-:
-<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2
-;
-%------------------------------------------------------------------------------
-Cat:synthetic;EN:Vat blue 1;MW:262.27;EXA:1
-:
-<30,Ph,3=?5, at 8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O
-;
-%==============================================================================
-Cat:antibiotics;EN:Amoxicillin;MW:365.4042;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,-3:/OH
-;
-%------------------------------------------------------------------------------
-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:Penicillin G;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,!2,Ph
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Penicillin V;MW:350.3895;EXA:1
-:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!2,O,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Mecillinam;MW:325.4264;EXA:1
-:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,N,!!,!,?7,-7:N
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Nafcillin;MW:414.4748;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,-2=Ph,-9:/O!2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Oxacillin;MW:401.4363;EXA:1
-:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, at -1,-24,Ph
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Cloxacillin;MW:435.8813;EXA:1
-:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, at -1,-24,Ph,-5:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Dicloxacillin;MW:470.3264;EXA:1
-:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
- @-1,-24,Ph,{-1,-5}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Cefalexin;MW:347.3889;EXA:1
-:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,6:/_,
- @4,*\^15,NH,!,//O,!,*/NH2,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Cefalonium;MW:458.5107;EXA:1
-:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15, at 5,\*,//O,!,O,n_^40,
- @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
- @6,\,!,|,Ph,1:N,1:p_^180, at 4,\,//O,!,NH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Cefazorin;MW:454.51;EXA:1
-:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
- @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Cefoperazone;MW:645.67;EXA:1
-:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!2,NH,!,//O,!,?6,{-3,-6}:N,{-4,-5}://O,-3:/!,
- @6,\,!,S,!,?5,{-3,-5}=dl,-1:/_,{-1,-2,-3,-4}:N,
- @11,\*,Ph,-3:/OH
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Cefquinome;MW:528.6;EXA:1
-:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15, at 5,\*,//O,!,O,n_^40,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
- @6,\,!,Ph,-2=?6,-10:N,-10:p_^180
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Ceftiofur;MW:523.5626;EXA:-
-:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
- @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Cefuroxime;MW:424.3852;EXA:1
-:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O, at 6,\,!,O,!,//O,!,NH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Apramycin;MW:539.58;EXA:1
-:
-<30,?6,-4=?6,{2,10}:O, at 1,\*,O,60~zb,?6, at 9,\*,O,-60~zb,?6,-5:O,
- {7,13,14',-1',-2}:*/OH,{6',15,17,-3'}:*/NH2,8:*/NH!^-20,
- -4:*/!OH,{3'^-60,4^60}:*/H
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Gentamycin;MW:477.596;EXA:1
-:
-<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\*,O,0~zb,?6,-5:O,{2,4,20'}:*/NH2,6:*/OH,
- 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Kanamycin;MW:484.499;EXA:1
-:
-<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
- {2,4,12}:*/NH2,{6',11,13,18,19',20}:/*OH,10:*/!OH,17:*/!NH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Neomycin;MW:614.644;EXA:1
-:
-<30,?6,3:O,2:/*!NH2,{1,6'}:*/OH,5:*/NH2,
- @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
- @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
- @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,{-2,-3'}:*/OH,-4:/*!NH2>60
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Streptmycin;MW:581.574;EXA:1
-:
-<54,?5,3:O,4:/*_,5:/OH^45, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
- @5,-48,!!,O,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
- @17,*\^-18,NH,!,//NH,!,NH2, at 19,*\,NH,!,//NH,!,NH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Streptmycin_H2O;MW:599.574;EXA:-
-:
-<54,?5,3:O,4:/*_,5:/OH^60, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
- @5,-18,/OH^15,45,OH,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
- @17,*\^-18,NH,!,//NH,!,NH2, at 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, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
- {10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
- @17,*\^-18,NH,!,//NH,!,NH2, at 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,{1,5',8^-60}:*/OH,
- 13:/*_,{2,6}:*/NH!
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Tobramycin;MW:467.51;EXA:1
-:
-<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
- {2,4,12,20'}:*/NH2,{6',11,13,18}:/*OH,10:*/!OH,17:*/!NH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Spiramycin;MW:843.1;EXA:1
-:
-<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt,
- @-6,\*^-30,O,!~wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
- @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##,
- @8,\*,!,!!,O
-;
-%------------------------------------------------------------------------------
-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,##,
- {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt,
- @-6,\*^-30,O,!~wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
- @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-4:*/_,{-1,-3}:/*OH,##,
- @8,\*,!,!!,O
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Josamycin;MW:827.995;EXA:1
-:
-<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*_,3://O,10:/*_,6:/*O!>vt,-6:/*OH,
- @5,\*^-25,O,!,//O,!,
- @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##,
- @-3,*\,O,60,//O,60,-60,/_,!,
- @8,\*,!,!!,O
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Leucomycin A5;MW:771.942;EXA:1
-:
-<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*_,3://O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*OH,
- @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##,
- @-3,*\,O,60,//O,60,-60,60,
- @8,\*,!,!!,O
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Erythromycin;MW:733.93;EXA:1
-:
-<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',4,6^-35,8,10',12^35}:/*_,
- {6^35,11,12^-35}:*/OH,
- @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
- @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Emamectine;MW:886.133;EXA:1
-:
-<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60,
- @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
- {-1,-3,-7}=dl,-11--(-10)=?6, at -2,?6,-6=wf,-1=zb,-5=dl,
- {-1,-6}:O,-3:*/_, at -2,\,*/_,!2,
- 17:/_,19:/*_, at 18,\,O,!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##,
- @-3,\,O,60,?6`.7,-5:O,#.5,-4:*/_,-3:/*NH!,-2:*/O!
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Spinosad;MW:731.968;EXA:2
-:
-<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
- 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,
- {-1^35,-2'^-60}:*/H,-2=?5,2:O,{3^25,7^-25}://O,1:*/!,
- @-2,\*,O,66~zb,?6`.7,-1:O,#.5,-2:*/_,{-3',-4,-5}:*/O!,8:*/_,5^-65:*/H,##,
- @9,\*,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,4:*/N?!
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Natamycin;MW:665.733;EXA:1
-:
-<-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60,
- 60,60,-60,60,-60,60,-60,60,60,-60,&1,##,12--13=?6,
- {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH,
- 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH,
- @10,*\^15,O,90,?6`.7,-1:O,#.5,{-3,-5'}:*/OH,-4:/*NH2,-2:/*_
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Tylocin;MW:916.10;EXA:1
-:
-<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_,
- @-1,*\,-60,O,0~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/*O!,##,
- @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##,
- @8,\*,!,!!,O
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Tilmicosin;MW:869.133;EXA:1
-:
-<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_,
- @-1,*\,-60,O,0~zb,?6`.7,-5:O,#.5,{-1,-2}:*/O!,-3:*/OH,-4:/*_,##,
- @7,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,{-1,-3}:/*OH,-4:*/_,##,
- @8,\*,!2,?6`.7,-6:N,#.5,{-2,-4}:*/_
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Mirosamicin;MW:727.8791;EXA:1
-:
-<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- @8,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- {5,13}=dl,15=?3,-2=wf,-1=wb,-1:O,3:O,2:/*!,{4,12}://O,{7,9,11'}:*/_,1:/*OH^-80,
- @1,*\,!,O,!~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Chlortetracyclin;MW:478.88;EXA:1
-:
-<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl,
- {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Oxytetracyclin;MW:460.434;EXA:1
-:
-<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH,
- {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Tetracyclin;MW:444.435;EXA:1
-:
-<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,
- {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Doxycyclin;MW:444.43;EXA:1
-:
-<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_,
- {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!, at 17,\,//O,!,NH2
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Tiamulin;MW:493.74;EXA:1
-:
-<-45.5,?8,-3=?5, at 8,#.8,-210~zf,/_^60,45,56,##,&6~zb,
- {3^-45,5,8}:*/_, at 3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60,
- @1,15,O,!,//O,!2,S,60,60,-60,N!2,60,-60
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Rifampicin;MW:822.94;EXA:2
-:
-<30,Ph,6:/_^30,5:/OH,-6=?5,-3:O,-8=?6,{-2,-4}=dl,{-1,-4}:/OH,
- #1, at -2,\,NH,60,-60,60~dl,60,60~dl,-60,
- 60,-60,60,60,-60,60,-53,66,-53~dl,66`1.2,O,##,&$8,
- ||,{9,15}://O,16:/_,{20,24^30}:*/_,{21,23}:/*OH,{8^60,22,26^30}:/*_,
- -4:/*O!, at -6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N!
-;
-%==============================================================================
-Cat:pesticide;EN:BHC;MW:290.83;EXA:-
-:
-<30,?6,{1,2',3,4,5',6}:*/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:pp-DDT;MW:354.49;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,/CCl3,!,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:op-DDT;MW:354.49;EXA:-
-:
-<30,Ph,4:/Cl, at 3,\,/CCl3,!,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:pp-DDD;MW:320;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,/CCl2,!,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:pp-DDE;MW:318;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,//CCl2,!,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:EPN;MW:323.303;EXA:-
-:
-<30,!2,O,!,P,//S,/Ph^170,!,O,!,Ph,-3:/NO2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:XMC;MW:179.2;EXA:-
-:
-<30,Ph,{1,5}:/_, at 3,\,O,!,//O,!,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Acrinathrin;MW:541.45;EXA:-
-:
-<-30,?3,{2^-35,2'^35}:*/_,
- @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3, at 3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Azaconazole;MW:300.139;EXA:-
-:
-<30,Ph,{4,6}:/Cl, at 3,\,!2,?5,{-2,-4}=dl,{-2,-4,-5}:N, at 7,?5,{-1,-4}:O
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Acetochlor;MW:269.769;EXA:-
-:
-<30,Ph,2:/_,4:/!, at 3,\,N,!2,O,!2, at 7,\,//O,!2,Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Atrazine;MW:215.7;EXA:-
-:
-<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2, at 3,\,NH,!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Anilofos;MW:367.9;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,N,/?!,!,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Alachrol;MW:269.8;EXA:-
-:
-<-30,!,O,!2,N,!,//O,!2,Cl, at 4,\,|,Ph,{2,6}:/!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Isazofos;MW:313.74;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?5,{2,5}=dl,{2,4,5}:N,4:/Cl,3:/?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Isoprcarb;MW:193.246;EXA:-
-:
-<30,Ph,2:/?!, at 3,\,O,!,//O,!,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Isoprothiolane;MW:290.4;EXA:-
-:
-<30,!?!,O,!,//O,!2,//O,!,O,!?!, at 5,\\,|,?5,{2,5}:S
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Iprobenfos;MW:288.34;EXA:-
-:
-<30,!?!,O,!,P,//O,/O!?!^170,!,S,!2,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Uninnazole-P;MW:291.779;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,!~dl,!,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Esprocarb;MW:265.4;EXA:-
-:
-<30,Ph, at 3,\,!,S,!,//O,!,N,/!,!,/?!,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Ethalfluralin;MW:333.3;EXA:-
-:
-<30,Ph,{1,3}:/NO2,5:/CF3, at 2,\`1.1,/!,N,!2,/_,!!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Ethion;MW:384.46;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,S,!,P,//S,/O!2^200>lr,!,O,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Edifenphos;MW:310.37;EXA:-
-:
-<30,Ph, at 3,\,O,!,P,//S,/O!2>rl^160,!,S,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Ethofenprox;MW:376.5;EXA:-
-:
-<30,Ph, at 5,\,O,!,Ph, at 10,\,O,!3,??,!,Ph,-3:/O!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Ethoprophos;MW:242.33;EXA:-
-:
-<-30,!3,S,!,P,//O,/S!3^160>rl,!,O,!2
-;
-%------------------------------------------------------------------------------
-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:-
-:
-<30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
- @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Oxadiazon;MW:345.2;EXA:-
-:
-<30,Ph,{4,6}:/Cl,1:/O!?!, at 3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Oxadixyl;MW:278.3;EXA:-
-:
-<30,Ph,{2,4}:/_, at 3,\,N,!1,//O,!2,O,!, at 7,\,|,?5,1:N,2:O,5://O
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Oxyfluorfen;MW:361.701;EXA:-
-:
-<30,Ph,6:/CF3,4:/Cl, at 3,\,O,!,Ph,-3:/NO2, at -4,\,O,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cadusafos;MW:270.386;EXA:-
-:
-<-30,!2,?!,S,!,P,//O,/O!2^160>rl,!,S,!?,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cafenstrole;MW:350.4;EXA:-
-:
-<30,Ph,{2,4,6}:/_, at 3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N, at -2,\,//O,!,N,/!,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19;EXA:-
-:
-<30,Ph,4:/F,6:/Cl, at 1,\,!,/Cl,!,//O,!,O,!2,
- @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Carboxin;MW:235.301;EXA:-
-:
-<30,?6,3=dl,2:S,5:O,4:/_, at 3,\,//O,!,NH,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Quinalphos;MW:298.30;EXA:-
-:
-<30,!,O,!2,P,//S,/O!2^160>rl,!,O,!,|,Ph,3=Ph,{2,5}:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Quinoxyfen;MW:308.13;EXA:-
-:
-<30,Ph,4=Ph,10:N,{2,6}:/Cl, at 7,\,O,!,|,Ph,4:/F
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Quitozene;MW:295.3;EXA:-
-:
-<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:-
-:
-<30,Ph, at 3,\,/COO!,!!,N,!,O,!, at 4,\,!,O,!,Ph,-1:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Clomazone;MW:239.7;EXA:-
-:
-<30,Ph,2:/Cl, at 3,\,!,|,?5,1:N,2:O,-2:??,-1://O
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorpyrifos;MW:350.59;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,6:N,{2,4,5}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorpyrifos-methyl;MW:322.53;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160>rl,!,O,!,|,Ph,6:N,{2,4,5}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorfenapyr;MW:407.62;EXA:-
-:
-<18,?5,3=dl,5=dl,2:N,4:/CN,5:/Br,1:/CF3, at 2,\,!,O,!2, at 3,\,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorfenson;MW:303.153;EXA:-
-:
-<30,Ph, at 3,\,O,!,SOO,!,Ph,{6,12}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorfenvinphos;MW:359.58;EXA:-
-:
-<30,!2,O,!,P,//O,/O!2^160>rl,!,O,!,!!,!,Cl, at 6,\`1,|,Ph,{2,4}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorpropham;MW:213.7;EXA:-
-:
-<30,Ph,6:/Cl, at 4,\,NH,!,//O,!,O,!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorbenside;MW:269.183;EXA:-
-:
-<30,Ph, at 3,\,S,!2,Ph,{6,12}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorobenzilate;MW:325.2;EXA:-
-:
-<30,Ph, at 3,\,/OH^-35,/COO!2^30>lr,!,Ph,{6,11}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chlorantraniliprole;MW:483.15;EXA:-
-:
-<30,Ph, at 5,\,//O,60,NH,!, at 4,\,NH,!,//O,!,<24,?5,{-1,-3}=db,{-3,-4}:N,-2:/Br,
- @-4,24,Ph,-5:N,-1:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Azoxystrobin;MW:403.4;EXA:-
-:
-<30,Ph,2:/OH, at 3,\,O,!,Ph,{-1,-3}:N, at -4,\,O,!,Ph, at -5,\,/O!,!,//O,!,O!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Thiuram;MW:240.43;EXA:-
-:
-<30,!,N!,!,//S,!,S,!,S,!,//S,!,N!,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Probenazole;MW:223.25;EXA:-
-:
-<12,Ph,3=?5,9=dl,7:S,8:N,{7^35,7^-35}://O, at 9,\,O,!2,!!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Penflufen;MW:317.41;EXA:-
-:
-<30,Ph, at 3,\,NH,!,//O,!,?5,{-1,-4}=db,{-2,-3}:N,{-2,-4}:/_,-1:/F, at 4,\,/_,60,!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:MCPA;MW:200.62;EXA:-
-:
-<30,Ph,1:/Cl,5:/_, at 4,\,O,!2,COOH
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Asulam;MW:230.2;EXA:-
-:
-<30,Ph, at 3,\,SOO,!,NH,!,//O,!,O!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Imazasulfuron;MW:412.81;EXA:-
-:
-<-11.8,?6,3=?5,{1,5,7,9}=db,-3:N,8:/Cl,
- @-1,\,SOO,!,NH,!,//O,!,NH,!,Ph,{-1,-5}:N,{-3,-5}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Triaziflam;MW:333.4;EXA:-
-:,
-<30,Ph,{2,6}:/_, at 4,\,O,!2,?!,NH,!,Ph,{-1,-3,-5}:N,-2:/NH2, at -4,\,??,!,F
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Trichlopyr;MW:256.47;EXA:-
-:,
-<30,Ph,2:N,{1,4,6}:/Cl, at 3,\,O,!2,COOH
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Halosulfuron-methyl;MW:434.82;EXA:-
-:,
-<6,?5,{3,5}=db,{1,2}:N,5:/Cl, at 3,\,SOO,!,NH,!,//O,!,NH,!,Ph, at 4,\,//O,!,O,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Flupoxam;MW:460.8;EXA:2
-:
-<30,Ph,4:/Cl, at 1,\,?5,{-2,-4}=db,{-2,-4,-5}:N,-1:/Ph, at -3,\,//O,!,NH2,
- @3,\,!,O,!,/F^35,/F^-35,!,CF3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyanazine;MW:240.7;EXA:-
-:
-<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2, at 3,\,NH,!,??,!,CN
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyanophos;MW:243.22;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,4:/CN
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Diethofencarb;MW:267.3;EXA:-
-:
-<30,Ph, at 4,\,NH,!,//O,!,O,!?!,{1,6}:/O!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dichlofenthion;MW:315.2;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{2,4}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Diclofop-methyl;MW:341.2;EXA:-
-:
-<30,Ph,{4,6}:/Cl, at 3,\,O,!,Ph, at -4,\,O,!?!,COO!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyhalothrin;MW:449.86;EXA:-
-:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!~dl,/CF3,!,Cl,
- @3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;EXA:-
-:
-<30,Ph,1:/CN,4:/F, at 3,\,O,!,|,Ph, at -3,\,O,!?!,//O,!,O,!4
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Diphenamid;MW:239.3;EXA:-
-:
-<30,Ph, at 3,\,!,Ph, at -5,\,//O,!,N,?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyfluthrin;MW:434.3;EXA:-
-:
-<-30,?3,{2^-35,2'^35}:*/_,
- @1,\,!~dl,/Cl,!,Cl, at 3,\,//O,!,O,!,/CN,!,Ph,-3:/F,-4:/OPh>rl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Diflufenican;MW:394.29;EXA:-
-:
-<30,Ph,{1,5}:/F, at 4,\,NH,!,//O,!,Ph,6:N, at -5,\,O,!,Ph,-3:/CF3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyproconazole;MW:291.8;EXA:-
-:
-<30,?3, at 2,\,?!,/OH^30,-90,!,|,<-18,?5,{2,4}=dl,{1,3,5}:N,@$5,-30,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cypermethrin;MW:416.3;EXA:-
-:
-<-30,?3,{2^-35,2'^35}:*/_,
- @1,\,!~dl,/Cl,!,Cl, at 3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Simazine;MW:201.7;EXA:-
-:
-<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dimethametryn;MW:255.4;EXA:-
-:
-<30,Ph,{2,4,6}:N,5:/S!,1:/NH!2, at 3,\,NH,!?!,?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dimethylvinphos;MW:331.52;EXA:-
-:
-<-30,!,O,!,P,//O,/O!^160,!,O,!,!~dl,!,Cl, at 5,\`1,Ph,{-5,-3}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dimethenamid;MW:275.8;EXA:-
-:
-<-6,?5,{3,5}=dl,2:S,{3,5}:/_, at 4,\,N,!,//O,!2,Cl, at 6,\,?!2,O,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dimethoate;MW:229.25;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Simetryn;MW:213.3;EXA:-
-:
-<30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dimepiperate;MW:263.4;EXA:-
-:
-<30,Ph, at 3,\,??,!,S,!,//O,!,|,?6,1:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Diazinon;MW:304.35;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{4,6}:N,5:/_,3:/?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Thiobencarb;MW:257.776;EXA:-
-:
-<30,Ph,1:/Cl, at 4,\,!,S,!,//O,!,N,/!,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Thiometon;MW:246.34;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,S,!3,S,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Thifluzamide;MW:528.08;EXA:-
-:
-<-12,?5,{3,5}=dl,2:S,5:N,3:/CF3,1:/_,
- @4,\,//O,!,NH,!,<6,|,Ph,{2,6}:/Br, at -3,\,O,!,CF3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dieldrin;MW:380.895;EXA:-
-:
-<30,?6`1.2,3=?6,6=dl,9=?3,-1:O, at 2,148~wf`1.4,&5~wb,
- @7,*\^145`1.3,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Aldrin;MW:364.908;EXA:-
-:
-<30,?6`1.3,3=?6,{6,9}=dl,
- @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,11^-210,11^-150}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tecnazene;MW:260.879;EXA:-
-:
-<30,Ph,{1,3,4,6}:/Cl,5:/NO2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tetrachlorvinfos;MW:365.97;EXA:-
-:
-<-30,!,O,!,P,//O,/O!^160,!,O,!,!!,!,Cl, at 5,\`1,|,Ph,{2,4,5}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tetraconazole;MW:372.14;EXA:-
-:
-<-6,?5,{2,5}=dl,{1,2,4}:N, at 4,\,!3,O,!,/F^35,/F^-35,!,CF2, at 7,\,|,Ph,{4,6}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tetradifon;MW:356.038;EXA:-
-:
-<30,Ph, at 3,\,SOO,!,Ph,{6,10,11,13}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Thenylchlor;MW:323.835;EXA:-
-:
-<6,?5,{2,5}=dl,4:S,2:/O!, at 3,\,!,N,!,//O,!2,Cl, at 7,-15,Ph,{-1,-5}:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tebuconazole;MW:307.8;EXA:-
-:
-<36,?5,{1,4}=dl,{1,3,5}:N, at 3,30,!4,Ph,-3:/Cl,7^-30:/??!,7^30:/OH
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tebufenpyrad;MW:333.86;EXA:-
-:
-<6,?5,{3,5}=dl,{1,2}:N,4:/Cl,5:/!,2:/_, at 3,\,//O,!,NH,!2,Ph,-3:/??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tefluthrin;MW:418.736;EXA:-
-:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!!,/CF3,!,Cl,
- @3,\,//O,!,O,!2,|,Ph,{2,3,5,6}:/F,4:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Terbutryn;MW:241.4;EXA:-
-:
-<30,Ph,{2,4,6}:N,5:/S!,1:/NH!2, at 3,\,NH,!,??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Terbufos;MW:288.42;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,S,!,??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Triadimefon;MW:293.8;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,O,!2,//O,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Triazophos;MW:313.31;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,<-12,|,?5,{2,5}=dl,{2,4,5}:N,4:/Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Triallate;MW:304.7;EXA:-
-:
-<-30,!?!,N,/?!,!,//O,!,S,!2,/Cl,!!,/Cl,!,Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tribufos;MW:314.50;EXA:-
-:
-<30,!4,S,!,P,//O,/'(S,!4)^160>rl,!,S,!4
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tolclofos-methyl;MW:301.13;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,6}:/Cl,4:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Trifluralin;MW:335.3;EXA:-
-:
-<30,Ph,{1,3}:/NO2,5:/CF3, at 2,\,N,/!2,!3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Napropamide;MW:271.4;EXA:-
-:
-<-30,Ph,4=Ph, at 10,\,O,!,??,!,//O,!,N,/!,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Nitrothal-isopropyl;MW:295.3;EXA:-
-:
-<30,Ph,5:/NO2, at 1,\,//O,!,O,!?!, at 3,\,//O,!,O,!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Norflurazon;MW:303.7;EXA:-
-:
-<30,?6,{1,5}=dl,{4,5}:N,1:/NH!,3://O,2:/Cl, at 4,\,Ph,-4:/CF3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Paclobutrazole;MW:293.795;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,!2,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Picolinafen;MW:376.331;EXA:-
-:
-<30,Ph,5:/CF3, at 3,\,O,!,|,|,Ph,2:N, at 3,\,//O,!,NH,!,|,Ph,4:/F
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bitertanol;MW:337.4;EXA:-
-:
-<30,Ph, at 3,\,Ph, at -3,\,O,!2,/OH,!,??!, at 14,\,|,?5,{2,4}=dl,{1,2,4}:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bifenox;MW:342.14;EXA:-
-:
-<30,Ph,{4,6}:/Cl, at 3,\,O,!,Ph,-4:/COO!,-3:/NO2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bifenthrin;MW:422.88;EXA:-
-:
-<-30,?3,{2^-35,2'^35}:*/_,
- @1,\,!~dl,/Cl,!,CF3, at 3,\,//O,!,O,!,-60,Ph,-1:/_,-2:/Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Piperophos;MW:353.48;EXA:-
-:
-<-30,!3,O,!,P,//S,/O!?!^160>rl,!,S,!2,//O,!,|,?6,1:N,6:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyraclofos;MW:360.80;EXA:-
-:
-<30,!2,O,!,P,//O,/S!3^160>rl,!,O,!,
- <-12,|,?5,{1,4}=dl,{3,4}:N, at -3,-12,|,Ph,4:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyrazophos;MW:373.37;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,
- |,?5,3=?6,{2,5,7,9}=dl,{4,5,6}:N,7:/_,-2:/COO!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyraflufen-ethyl;MW:413.174;EXA:-
-:
-<30,Ph,6:/Cl,4:/F, at 3,\,|,?5,{1,4}=dl,{2,3}:N,-3:/_,5:/Cl,
- @-2,\,O,!,/F,!,F,@$1,\,O,!2,//O,!,O,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyridaben;MW:364.9;EXA:-
-:
-<30,?6,{2,4}=dl,{5,6}:N,6:/??!,1://O,2:/Cl, at -4,\,S,!2,|,Ph,4:/??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyridaphenthion;MW:340.34;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyributicarb;MW:330.4;EXA:-
-:
-<30,Ph,5:/??!, at 3,\,//O,!,S,!,N,?!,|,Ph,2:N,3:/O!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyriproxyfen;MW:321.5;EXA:-
-:
-<30,Ph, at 5,\,O,!,Ph, at -3,\,O,!2,?!,O,-60,|,Ph,2:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:-
-:
-<30,Ph,2:/OCO!, at 5,\,/_,!!,N,!,O,!, at 3,\,O,!,|,Ph,{2,6}:N,{3,5}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pirimiphos-methyl;MW:305.333;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/_, at -4,\,N,/!,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyrimethanil;MW:199.257;EXA:-
-:
-<30,Ph, at 3,\,NH,!,|,Ph,{2,6}:N,{3,5}:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyroquilon;MW:173.2;EXA:-
-:
-<30,Ph,3=?6,10:N,9://O,11--4=?5
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Vinclozolin;MW:286.108;EXA:-
-:
-<36,?5,3:N,5:O,{2,4}://O,1:/_^54, at 1,-30,!!, at 3,\,|,Ph,{3,5}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fipronil;MW:437.2;EXA:-
-:
-<30,Ph,{2,4}:/Cl,6:/CF3, at 3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,
- @-2,\,S,//O,!,CF3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenomiphos;MW:303.36;EXA:-
-:
-<30,!2,O,!,P,//O,/NH!?!^160,!,O,!,|,Ph,3:/_,4:/S!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenarimol;MW:331.2;EXA:-
-:
-<30,Ph, at 3,\,!,Ph,{4,11}:/Cl,7:/OH^30, at 7,-30,|,Ph,{3,5}:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenitrothion;MW:277.23;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenothiocarb;MW:253.4;EXA:-
-:
-<30,Ph, at 3,\,O,!5,S,!,//O,!,N,?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fensulfothion;MW:308.35;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph, at -3,\,S,//O,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenthion;MW:278.33;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,4:/S!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Phenthoate;MW:320.358;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,S,!,/Ph,!,//O,!,O,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenvalerate;MW:419.91;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,/?!,!,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenpropathrin;MW:349.4;EXA:-
-:
-<-30,?3,{1^35,2^-35}:*/_,{1^-35,2^35}:/*_,
- @3,\,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenpropimorph;MW:303.49;EXA:-
-:
-<30,?6,3:N,6:O,{1,5}:*/_, at 3,\,!?,!2,|,Ph,4:/??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Phthalide;MW:271.9;EXA:-
-:
-<30,Ph,3=?5,8:O,9://O,{1,2,5,6}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Butachlor;MW:311.85;EXA:-
-:
-<30,!4,O,!2,N,!,//O,!2,Cl, at 7,\,Ph,{-1,-5}:/!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Butamifos;MW:332.36;EXA:-
-:
-<-30,!2,?!,NH,!,P,//S,/O!2^170>rl,!,O,!,|,Ph,2:/NO2,5:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bupirimate;MW:316.42;EXA:-
-:
-<30,Ph,{4,6}:N,1:/_, at 3,\,O,!,SOO,!,N,?!,2:/!3, at 5,\,NH,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Buprofezin;MW:305.4;EXA:-
-:
-<-30,?6,{1,5}:N,1:/Ph,3:S,6://O,5:/?!, at 4,\~dm,N,!,??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Flamprop-methyl;MW:335.8;EXA:-
-:
-<30,Ph,1:/Cl,6:/F, at 3,\,N,!?!,//O,!,O,!, at 7,\,//O,-60,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fluacrypyrim;MW:426.392;EXA:-
-:
-<30,Ph,{4,6}:N,1:/CF3,5:/O!?!, at 3,\,O,!2,Ph, at -1,\,|,!!,!,O,!,1:/COO!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fluquinconazole;MW:376.2;EXA:-
-:
-<30,Ph,3=?6,8=dl,{7,9}:N,6:/F,10://O, at 8,\,
- |,?5,{2,4}=dl,{1,3,5}:N,@$9,\,|,Ph,{4,6}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fludioxonil;MW:248.2;EXA:-
-:
-<30,Ph,5=?5,{7,9}:O,{8^-40,8^40}:/F, at 4,\,|,?5,{2,5}=dl,-2:NH,-4:/CN
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Flucythrinate;MW:451.5;EXA:-
-:
-<30,Ph, at 6,\,O,!,/F,!,F, at 3,\,/?!,!,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Flutolanil;MW:323.3;EXA:-
-:
-<30,Ph,2:/CF3, at 3,\,//O,!,NH,!,Ph,-1:/O!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fluvalinate;MW:502.92;EXA:-
-:
-<30,Ph,5:/Cl,1:/CF3, at 4,\,NH,!,/?!,!,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Flumioxazin;MW:354.337;EXA:-
-:
-<30,Ph,6:/F,3=?6,-1:O,-4:N,-3://O, at -4,\,!,!!!,
- @1,\,|,?5,3=?6,3=dr,1:N,{2,5}://O
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pretilachlor;MW:311.85;EXA:-
-:
-<30,Ph,{2,4}:/!, at 3,\,N,!3,O,!3,@$7,\,//O,!2,Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Procymidone;MW:284.136;EXA:-
-:
-?6,1:N, at 3,&5,{2,6}://O,{3,5}:/_, at 1,\,|,Ph,{3,5}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Prothyophos;MW:329.18;EXA:-
-:
-<-30,!3,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{2,4}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Propachlor;MW:211.689;EXA:-
-:
-<30,Ph, at 3,\,N,/?!,!,//O,!2,Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Propazine;MW:229.7;EXA:-
-:
-<30,Ph,{2,4,6}:N,5:/Cl,{1,3}:/NH!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Propanil;MW:218.077;EXA:-
-:
-<30,Ph,{1,6}:/Cl, at 3,\,NH,!,//O,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Propaphos;MW:304.343;EXA:-
-:
-<-30,!3,O,!,P,//O,/O!3^160>rl,!,O,!,|,Ph,4:/S!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Propyzamide;MW:256.1;EXA:-
-:
-<30,Ph,{1,5}:/Cl, at 3,\,//O,!,NH,!,??,!,!!!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Propiconazole;MW:342.22;EXA:-
-:
-<30,Ph,{4,6}:/Cl, at 3,\,!2,|,?5,{2,4}=dl,{1,2,4}:N,@$7,?5,{-1,-4}:O,-3:/!2^-15
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Prohydrojasmon;MW:254.37;EXA:-
-:
-<18,?5,2://O,3:*\^-12,!4, at 4,\*,!,//O,!,O,!3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Profenofos;MW:373.6;EXA:-
-:
-<30,!2,O,!,P,//S,/O!3^160>rl,!,O,!,|,Ph,2:/Cl,4:/Br
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bromacil;MW:261.119;EXA:-
-:
-<30,?6,6=dl,3:N,1:/Br,{2,4}://O,5:NH,6:/_,3:/?!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Prometryn;MW:241.4;EXA:-
-:
-<30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bromobutide;MW:312.2;EXA:-
-:
-<30,Ph, at 3,\,??,!,NH,!,//O,!,/Br,!,??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bromophos;MW:365.99;EXA:-
-:
-<-30,!,O,!, P,//S,/O!^160,!,O,!,|,Ph,{3,6}:/Cl,4:/Br
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bromopropylate;MW:428.12;EXA:-
-:
-<30,Ph, at 3,\,!,Ph,{6,11}:/Br,7:/OH^-45, at 7,30,//O,!,O,-60,?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Hexaconazole;MW:314.2;EXA:-
-:
-<36,?5,{1,4}=dl,{1,3,5}:N, at 3,30,!5,-4^30:/OH, at -5,-30,|,Ph,{4,6}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Hexazinone;MW:252.31;EXA:-
-:
-<30,?6,3=dl,{2,4,6}:N,2:/_,{1,5}://O,6:/?6,3:/N?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Benalaxyl;MW:325.4;EXA:-
-:
-<30,Ph, at 3,\,!,//O,!,N,!?!,//O,!,O,!, at -5,\,|,Ph,{2,6}:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Benoxacor;MW:260.1;EXA:-
-:
-<90,Ph,3=?6,7:N,10:O,8:/_, at 7,\,//O,!,/Cl,!,Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Heptachlor;MW:373.35;EXA:-
-:
-<30,?6`1.3,3=?5,{6,8}=dl, at 2,210~wf`1.5,&5~wb,{1,2,5,6,9,10^-210,10^-150}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Permethrin;MW:391.30;EXA:-
-:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!~dl,/Cl,!,Cl,
- @3,\,//O,!,O,!2,Ph, at -4,\,O,-60,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Penconazole;MW:284.184;EXA:-
-:
-<30,Ph,{4,6}:/Cl, at 3,\,/!2,!2,|,<30,?5,{2,4}=dl,{1,2,4}:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pendimethalin;MW:281.3;EXA:-
-:
-<30,Ph,{3,5}:/NO2,{1,2}:/_, at 4,\,NH,!?,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Benfluralin;MW:335.3;EXA:-
-:
-<30,Ph,{1,3}:/NO2,5:/CF3, at 2,\,N,/!,!4
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Benfuresate;MW:256.3;EXA:-
-:
-<30,Ph,3=?5,7:O,9:??, at 6,\,O,!,SOO,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bensulide;MW:397.5;EXA:-
-:
-<30,!?!,O,!,P,//S,/O!?!^160>rl,!,S,!3,NH,!,SOO,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Phosalone;MW:367.80;EXA:-
-:
-<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,|,?5,4=Ph,4=dr,1:N,2://O,3:O,8:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Phosmet;MW:317.32;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?5,3=Ph2,1:N,{2,5}://O
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Phorate;MW:260.4;EXA:-
-:
-<30,!2,O,!,P,//S,!,S,!2,S,!2,4^160>rl:/O!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Malathion;MW:330.35;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,O,!2, at 5,\`1,!,//O,!,O,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Myclobutanil;MW:288.8;EXA:-
-:
-<36,?5,{1,4}=dl,{1,3,5}:N, at 3,30,!5,7:/CN^30, at 7,-30,|,Ph,4:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Methidathion;MW:302.32;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?5,4=dl,{1,5}:N,3:S,2://O,4:/O!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Methoxychlor;MW:345.644;EXA:-
-:
-<30,Ph, at 3,\,!,Ph,{6,11}:/O!,7:/CCl3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Metolachlor;MW:283.8;EXA:-
-:
-<30,Ph,5:/!,3:/_, at 4,\,N,!,//O,!2,Cl, at 7,\,?!2,O,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Mevinphos;MW:224.15;EXA:-
-:
-<-30,!,O,!,P,//O,/O!^160,!,O,!?,!!,!,//O,!,O,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Mefenacet;MW:298.4;EXA:-
-:
-<12,Ph,3=?5,9=dl,9:N,7:S, at 8,\,O,!2,//O,!,N,?!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Mefenpyr-diethyl;MW:373.23;EXA:-
-:
-<18,?5,5=dl,{4,5}:N,3^65:/_,{1^12,3^-12}:/COO!2, at 4,-24,|,Ph,{4,6}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Mepronil;MW:269.3;EXA:-
-:
-<30,Ph,2:/_, at 3,\,//O,!,NH,!,|,Ph,5:/O!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Molinate;MW:187.3;EXA:-
-:
-<47,?7,3:N, at 3,\,//O,!,S,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Resmethrin;MW:338.4;EXA:-
-:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!!,?!, at 3,\,//O,!,O,!2,
- |,?5,{3,5}=dl,2:O, at 3,\,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Lenacil;MW:234.3;EXA:-
-:
-<30,?6,3=?5,3=dl,6:N,2:NH,{1,5}://O,6:/?6
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Halfenprox;MW:477.4;EXA:-
-:
-<30,Ph, at 6,\,O,!,/F^35,/F^-35,!,Br, at 3,\,!,??,!,O,!2,Ph, at -2,\,O,60,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Paraquat;MW:257.16;EXA:-
-:
-Ph, at 4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90, at 1,@(0,1.2),Cl,n_^15,
- @10,@(0,1.2),Cl,n_^15
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Oxine-Copper;MW:351.852;EXA:-
-:
-Ph,4:N,5=Ph, at -4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, at 4,&12~vf, at 23,&12~vf
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Endosulfan;MW:406.904;EXA:-
-:
-<26,?7,7=?6[13], at 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
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Uniconazole-P;MW:291.779;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,!~dl,!,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
-;
-%******************************************************************************
-Cat:pesticide;EN:Azinphos-methyl;MW:317.318;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?6,-3=?6,{2,4,8,10}=dl,{1:3}:N,6://O
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Azoxystorbin;MW:403.394;EXA:-
-:
-<30,Ph,2:/CN, at 3,\,O,!,Ph,{-1,-3}:N, at -4,\,O,!,Ph, at -5,\,//!O!,!,//O,!,O,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Aramite;MW:334.859;EXA:-
-:
-<30,Ph,6:/??!, at 3,\,O,!2,?!,O,!,S,//O,!,O,!3,Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Aldicarb;MW:190.3;EXA:-
-:
-<-30,!,S,!,??,!,!!,N,!,O,!,//O,!,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Aldoxycarb;MW:222.3;EXA:-
-:
-<30,!,//O,!,NH,!,O,!,N,!!,!,??,!,SOO,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Isoxaflutole;MW:359.319;EXA:-
-:
-<30,Ph,6:/CF3, at 4,\,SOO,!, at 3,\`1,//O,!`1,<-12,|,?5,{1,4}=dl,3:O,4:N,2:/?3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Iprovalicarb;MW:320.4;EXA:-
-:
-<30,Ph,6:/_, at 3,\,!?!,NH,!,//O,!,??,!,NH,!,//O,!,O,!?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Imazalil;MW:297.2;EXA:-
-:
-<-30,!2,O,!2,!!, at 1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Imidacloprid;MW:255.662;EXA:-
-:
-<30,Ph,1:N,6:/Cl, at 3,\,!,|,?5,1:N,3:NH, at 2,\\,N,!,NO2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Indanofan;MW:340.80;EXA:-
-:
-<30,Ph,3=?5,{7,9}://O,8^55>lr:/!, at 8,-30,!2,|,Ph,5:/Cl,||, at 11,?3,-2:O
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Indoxacarb;MW:527.837;EXA:-
-:
-<-6,Ph,3=?5,9=?6,15=dl,10:O,{12,13}:N,1:/Cl,8`1^-54:/COO!,
- @12,\,//O,!,N,/COO!,!,Ph, at -3,\,O,!,CF3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Oxamyl;MW:219.3;EXA:-
-:
-<-30,!,N,?!,//O,!,/S!,!!,N,!,O,!,//O,!,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Oryzalin;MW:346.4;EXA:-
-:
-<30,Ph,{1,3}:/NO2, at 5,\,SOO,!,NH2, at 2,\,/!2,N,!3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Carbaryl;MW:201.22;EXA:-
-:
-<30,Ph,5=Ph, at 4,\,//O,!,O,!,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Carpropamid;MW:334.665;EXA:-
-:
-<-30,?3,1:/_,{2^-35,2'^35}:*/Cl,3^70:/!, at 3,\,//O,!,NH,!?!,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cumyluron;MW:302.802;EXA:-
-:
-<30,Ph, at 4,\,??,!,NH,!,//O,!,NH,!2,|,Ph,6:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cloquintocet-methyl;MW:335.83;EXA:-
-:
-<90,Ph,4=Ph,2:N,10:/Cl, at 7,\,O,!2,//O,!,O,!?,!5
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Clotianidin;MW:249.673;EXA:-
-:
-<6,?5,{3,5}=dl,2:S,5:N,1:/Cl, at 3,\,!,NH,!,/NH!,!!,N,!,NO2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chromafenozide;MW:394.515;EXA:-
-:
-<30,?6,3=?6,5:O,{7,9,11}=dl,7:/_, at 8,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Clomeprop;MW:324.2;EXA:-
-:
-<30,Ph,{4,6}:/Cl,5:/_, at 3,\,O,!?!,//O,!,NH,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chloridazon;MW:221.6;EXA:-
-:
-<30,?6,{3,4}:N,{2,6}=dl,5://O,1:/NH2,6:/Cl,4:/Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Chloroxuron;MW:290.745;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,O,!,Ph, at -3,\,NH,!,//O,!,N,?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyazofamid;MW:324.783;EXA:-
-:
-<18,?5,{2,5}=dl,{2,4}:N,1:/Cl,3:/CN, at 4,\,SOO,!,N,?!, at 5,\,Ph,-3:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Diuron;MW:233.1;EXA:-
-:
-<30,Ph,{1,6}:/Cl, at 3,\,NH,!,//O,!,N,?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyflufenamid;MW:412.36;EXA:-
-:
-<30,Ph,4^20:/CF3,{1,2}:/F, at 3,\,!,NH,!,//O,!2,Ph, at -10,\\,N,!,<-12,O,!2,?3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Diflubenzuron;MW:310.7;EXA:-
-:
-<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Cyprodinil;MW:225.295;EXA:-
-:
-<30,Ph,{2,4}:N,5:/_,1:/?3, at 3,\,NH,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Simeconazole;MW:293.417;EXA:-
-:
-<36,?5,{1,3,5}:N,{1,4}=dl, at 3,30,!,/OH^30,!2,Si,??!, at 7,-30,Ph,-3:/F
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dimethirimol;MW:209.29;EXA:-
-:
-<30,?6,{3,5}=dl,1://O,2:NH,3:/N?!,4:N,5:/_,6:/??!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Dimethomorph;MW:387.86;EXA:-
-:
-<30,?6,1:O,4:N, at 4,\,//O,!,!!`1,!,|,Ph,{4,5}:/O!,||, at 9,\,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Silafluofen;MW:408.588;EXA:-
-:
-<30,Ph, at 5,\,O,!,Ph,-1:/F, at 10,\,!3,Si,??,!,Ph,-3:/O!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Di-allate;MW:270.212;EXA:-
-:
-<-30,!?!,N,!,//O,!,S,!2,!!,!,Cl,3:/?!,7:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Daimuron;MW:268.4;EXA:-
-:
-<30,Ph, at 4,\,??,!,NH,!,//O,!,NH,!,Ph,-3:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Thiacloprid;MW:252.72;EXA:-
-:
-<30,Ph,1:N,6:/Cl, at 3,\,!,<-12,|,?5,1:N,3:S, at -4,\\,N,!,CN
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Thiabendazole;MW:201.247;EXA:-
-:
-<30,Ph,3=?5,8=dl,9:NH,7:N, at 8,\,|,?5,{1,4}=dl,3:S,5:N
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Thiamethoxam;MW:291.71;EXA:-
-:
-<30,?6,2:O,{4,6}:N,6:/_, at 5,\\,N,!,NO2, at 4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tebuthiuron;MW:228.3;EXA:-
-:
-<18,?5,{3,5}=dl,{4,5}:N,2:S,1:/??!, at 3,\,N,?!,//O,!,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tebufenozide;MW:352.5;EXA:-
-:
-<30,Ph,6:/!, at 3,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Teflubenzuron;MW:381.1;EXA:-
-:
-<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,|,Ph,{3,5}:/Cl,{4,6}:/F
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Tridemorph;MW:297.5;EXA:-
-:
-<30,?6,3:N,6:O,{1,5}:/_,3:/!12
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Triflumuron;MW:358.701;EXA:-
-:
-<30,Ph,4:/Cl, at 3,\,//O,!,NH,!,//O,!,NH,!,|,Ph, at 5,\,O,!,CF3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Naproanilide;MW:291.35;EXA:-
-:
-<30,Ph,4=Ph, at 8,\,O,!?!,//O,!,NH,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Novaluron;MW:492.706;EXA:-
-:
-<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,
- Ph,-4:/Cl, at -3,\,O,!,/F^-35,/F^35,!,/F,!,O,!,CF3
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pyraclostrobin;MW:387.817;EXA:-
-:
-<30,Ph, at 3,\,!,O,!,<12,|,?5,{2,5}=dl,{4,5}:N,
- at 4,12,Ph,-3:/Cl,||, at 2,\,N,/O!,!,COO!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pirimicarb;MW:238.291;EXA:-
-:
-<30,Ph,{1,5}:N,{2,3}:/_,6:/N?!, at 4,\,O,!,//O,!,N,?!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenoxycarb;MW:301.35;EXA:-
-:
-<30,Ph, at 5,\,O,!,Ph, at -3,\,O,!3,NH,!,//O,!,O,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenobucarb;MW:207.3;EXA:-
-:
-<30,Ph,5:/?!2, at 4,\,O,!,//O,!,NH!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Ferimzone;MW:254.337;EXA:-
-:
-<30,Ph,4:/_, at 3,\,/_,!!,N,!,NH,!,|,Ph,{2,6}:N,{3,5}:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenamidone;MW:311.403;EXA:-
-:
-<18,?5,4=dl,{3,5}:N,2://O, at 3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48:/*Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fenpyroximate;MW:421.49;EXA:-
-:
-<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/_, at 3,-15,O,!,Ph,
- @4,\,!!,N,!,O,!2,|,Ph, at 4,\,//O,-60,O,!4
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Phenmedipham;MW:300.32;EXA:-
-:
-<30,Ph,5:/_, at 3,\,NH,!,//O,!,O,!,Ph, at -4,\,NH,!,//O,!,O!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Butafenacil;MW:474.817;EXA:-
-:
-<30,?6,6=dl,{3,5}:N,{2,4}://O,5:/_,6:/CF3,
- @3,\,Ph,-3:/Cl, at -2,\,//O,!,O,!,??,!,//O,!,O,!2,!!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Flufenacet;MW:363.331;EXA:-
-:
-<6,?5,{2,5}=dl,{1,2}:N,4:S,5:/CF3, at 3,\,O,!,-60,//O,!,N,/?!,!,|,Ph,4:/F
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Flufenoxuron;MW:488.77;EXA:-
-:
-<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,Ph,-1:/F, at -3,\,O,!,|,Ph,4:/CF3,6:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Fluridone;MW:329.3;EXA:-
-:
-<30,?6,{3,6}=dl,2:N,2:/_,5://O, at 4,\,Ph,-4:/CF3,6:/Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Propaquizafop;MW:443.884;EXA:-
-:
-<90,Ph,3=?6,{8,10}=dl,{7,10}:N,1:/Cl,
- @8,\,O,!,|,Ph, at 4,\,O,|,!2,//O,!,O,!,-60,!,O,-60,N,-60~dr,!,{2,9}:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Hexaflumuron;MW:461.14;EXA:-
-:
-<30,Ph,{2,4}:/F, at 3,\,//O,!,NH,!,//O,!,NH,!,
- |,Ph,{3,5}:/Cl, at 4,\,O,!,/F^-35,/F^35,!,/F,!,F
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Hexathiazox;MW:352.877;EXA:-
-:
-<30,?6, at 3,\,NH,!,//O,!,<-24,|,?5,1:N,3:S,2://O,5:/_, at 4,\,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pencycuron;MW:328.84;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,!,N,/?5,!,//O,!,NH,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Bendiocarb;MW:223.228;EXA:-
-:
-<30,Ph,5=?5,{7,9}:O,8:??, at 4,\,O,!,//O,!,NH!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Pentoxazone;MW:353.774;EXA:-
-:
-<66,?5,5://?!,1:O,3:N,{2,4}://O, at 3,\,|,Ph,4:/Cl,6:/F, at 3,\,O,!,?5
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Boscalid;MW:343.21;EXA:-
-:
-<30,Ph,5:N,4:/Cl, at 3,\,//O,!,NH,!,Ph, at -1,\,Ph,-3:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Methabenzthiazuron;MW:221.3;EXA:-
-:
-Ph,3=?5,9=dl,7:S,9:N, at 8,\,N,?!,//O,!,NH,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Methoxyfenozide;MW:368.48;EXA:-
-:
-<30,Ph,2:/_,1:/O!, at 3,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Monolinuron;MW:214.6;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,NH,!,//O,!,N,?!,O,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Lactofen;MW:461.78;EXA:-
-:
-<30,Ph,4:/Cl,6:/CF3, at 3,\,O,!,Ph,-3:/NO2, at -4,\,//O,!,O,!?!,//O,!,O,!2
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Linuron;MW:249.1;EXA:-
-:
-<30,Ph,{1,6}:/Cl, at 3,\,NH,!,//O,!,N,?!,O,!
-;
-%------------------------------------------------------------------------------
-Cat:pesticide;EN:Lufenuron;MW:511.15;EXA:-
-:
-<30,Ph,{2,4}:/F,
- @3,\,//O,!,NH,!,//O,!,NH,!,Ph,{-1,-4}:/Cl, at -3,\,O,!,/F^35,/F^-35,!,/F,!,CF3
-;
-%******************************************************************************
-Cat:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,//O,!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,?5,{1,3}=dl,2:N,5:S
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Chlopidol;MW:192.039;EXA:-
-:
-<30,Ph,{1,3}:/_,2:N,{4,6}:/Cl,5:/OH
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfadiadine;MW:250.276;EXA:1
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,6}:N
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Levamisole;MW:204.29;EXA:-
-:
-?5,3=?5,6=dl,2:S,{4,6}:N, at 7,\,Ph
-;
-%------------------------------------------------------------------------------
-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
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfapyrizine;MW:249.288;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,6:N
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Marbofloxacin;MW:362.361;EXA:-
-:
-<30,Ph,{3,2--7}=?6,9=dl,6:/F,{7,13}:N,11:O,9:/COOH,10://O,13:/_,
- @1,\,|,?6,{1,4}:N,4:/_
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Trimethoprim;MW:290.323;EXA:-
-:
-<30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,{3,4,5}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:-
-:
-<30,Ph,{3,2--7}=?6,9=dl,7:N,11:O,
- 6:/F,9:/COOH,10://O,13:/_, at 1,\,|,?6,{1,4}:N,4:/_
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:-
-:
-<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,1:N,4:NH
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Enrofloxacin;MW:359.401;EXA:-
-:
-<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,{1,4}:N,4:/!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Danofloxacin;MW:357.385;EXA:-
-:
-<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,
- @1,\,|,?6, at 2,-200`1.1,&5,{1,4}:N,4:*/_
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Ormetoprim;MW:274.324;EXA:-
-:
-<30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,2:/_,{4,5}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Orbifloxacin;MW:395.382;EXA:-
-:
-<30,Ph,-4=?6,9=dl,7:N,{2,5,6}:/F,7:/?3,9:/COOH,10://O,
- @1,\,|,?6,1:N,{3,5}:*/_,4:NH
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfamethoxypyridazine;MW:280.302;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/O!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sarafloxacin;MW:385.371;EXA:-
-:
-<30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10://O, at 1,\,?6,-6:N,-3:NH, at 7,\,Ph,-3:/F
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Difloxacin;MW:399.398;EXA:-
-:
-<30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O, at 1,\,|,?6,{1,4}:N,4:/_,
- ||, at 7,\,Ph,-3:/F
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,3:/O!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/Cl
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfadoxine;MW:310.328;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfamethoxazole;MW:253.276;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Pirimethamin;MW:248.714;EXA:-
-:
-<30,Ph,6:/Cl, at 3,\,Ph,{-2,-4}:N,-1:/!,{-3,-5}:/NH2
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Oxibendazole;MW:249.27;EXA:-
-:
-<30,Ph,-4=?5,9=dl,7:NH,9:N,1:/O!3, at 8,\,NH,!,COOH
-;
-%------------------------------------------------------------------------------
-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
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfabenzamide;MW:276.31;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,//O,!,Ph
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Ethopabate;MW:237.255;EXA:-
-:
-<30,Ph,1:/NHCO!,3:/O!2,4:/COO!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfadimethoxine;MW:310.33;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/O!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfaquinoxaline;MW:300.337;EXA:-
-:
-<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,3=Ph,{2,5}:N
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Nalidixic acid;MW:232.239;EXA:-
-:
-<30,Ph,3=?6,9=dl,{5,10}:N,6:/_,7://O,8:/COOH,10:/!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Flubendazole;MW:313.288;EXA:-
-:
-<30,Ph,-4=?5,9=dl,7:NH,9:N, at 1,\,O,!,Ph, at 8,\,NH,!,COO!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Flumequine;MW:261.225;EXA:-
-:
-<30,Ph,{3,2--7}=?6,9=dl,7:N,6:/F,9:/COOH,10://O,13:/_
-;
-%------------------------------------------------------------------------------
-34;Cat:antibacterial;EN:Sulfanitran;MW:335.334;EXA:-
-:
-<30,Ph, at 1,\,NH,!,//O,!, at 4,\,SOO,!,NH,!,|,Ph,4:/NO2
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Xylazine;MW:220.334;EXA:-
-:
-<30,?6,3=dl,2:S,4:N, at 3,\,NH,!,|,Ph,{2,6}:/_
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Famphur;MW:325.3;EXA:-
-:
-<-30,!,O,!,P,//S,/O!^160,!,O,!,Ph, at -3,\,SOO,!,N!,!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Lincomycin;MW:406.54;EXA:1
-:
-<6,?5,5:N,5:*/_,2:*/!2,
- @3,\*,//O,!,NH,!,!~wb,?6,-1:O,{-3',-4,-5}:*/OH,-2:/*S!, at 8,-30,/_,60,OH
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:2-acethylamino-5-nitrothiazole;MW:187.178;EXA:-
-:
-<18,?5,{2,5}=dl,2:N,4:S,3:/NHCO!,5:/NO2
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Chlorsulron;MW:357.77;EXA:-
-:
-<30,Ph,6:/NH2, at 1,\,SOO,!,NH2, at 3,\,SOO,!,NH2, at 4,\,/Cl,60~dl,/Cl,!,Cl
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Florfenicol;MW:358.21;EXA:-
-:
-<30,Ph, at 1,\,SOO,!, at 4,\,/OH,!,/!F,!,NH,!,//O,!,/Cl,!,Cl
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Thiamphenicol;MW:355;EXA:-
-:
-<30,Ph, at 1,\,SOO,!, at 4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Oxadiargyl;MW:341.19;EXA:-
-:
-<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!), at 4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
-;
-%------------------------------------------------------------------------------
-Cat:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:-
-:
-<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph, at 4,\,??,!,|,Ph,{3,5}:/Cl
-;
-%******************************************************************************
-Cat:biological;EN:Okadaic acid;MW:805.00;EXA:2
-:
-<30,?6, at 4,?6, at -4,\,!3,<-12,?5, at -3,<-12,?6,-3=?6, at -3,*\,!3,
- ?6, at -4,?6, at 6,\,!,/*_^-40,*/OH^20,!,//O,!1,OH,
- 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
- 32:*/H^60,10:/_,{12,31,37'}:*/_,27://_,28:/OH,{3,29}:/*OH
-;
-%------------------------------------------------------------------------------
-Cat:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2
-:
-<-30,#1,!12,{1,3,12}=zf,7=wf,60,60,Ph, at -3,\,O,!,Ph, at -4,\,O,!,Ph, at -3,\,&1,
- @7,&26,@$1,60,60,NH,60,-60,Ph, at -1,\,Ph, at -2,&4,##,
- {36,3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180,7'^-60,10'^60,14'^60,35^-60}:*/H,
- {41,43,46}:/OH,{14,35'}:*/OH,{17,34^15}:/Cl,38^180:*/COOH,
- @10,*\^-60,60,//O,!,NH2, at 13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
- @23,\,O,!~zf,|,?6`.7,2:O,3^10:*/!OH,{4',5}:*/OH,
- @-1,\*,O,!~wb,|,?6`.7,6:O,{3'^35,5}:*/_,3^-35:/NH2,4:/*OH,
-;
-%------------------------------------------------------------------------------
-Cat:biological;EN:Maitotoxin;MW:3425.86;EXA:-
-:
-<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6, at -3,\,!3,?6,{-4,-3,-3,-3}=?6, at -3,\,?6,-3=?6,
- @-3,\,!3,60,<-30,?6,-3=?6, at -3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
- @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
- {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
- 100,107,113,114,122,123,130,131,140,141,148,149}:O,
- {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
- {11,20,35,45,52,55,65,69,86}:/*OH,
- {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
- {4,14,22,34,39,43,47',57',71',81,89,98,102,116,121,125,129,133}:*/H^60,
- {6,46,50,53,60,67,74}:*/H^-60,
- {9,18,85,93,112,139,143,147}:*/_^60`1,{80,88,97,108',115,120,124}:/*_^-60`1,
- @$6,\,|,!11,60~dr,-60,60,OH,{2',7,10}:*/OH,{1,3,8'}:*/_,11://_,12:/_,
- @6,\,O,30,SO3Na,
- @$36,-45~zf,O,30,SO3Na,
- @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
-;
-%------------------------------------------------------------------------------
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2023-05-07 15:06:34 UTC (rev 67041)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2023-05-07 19:25:26 UTC (rev 67042)
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2023.01.29
+% Molecular Coding Format manual by Akira Yamaji 2023.05.07
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.92
-% ** use mcf_library.mcf
+% ** mcf2graph.mf must be version 5.00
+% ** use main_lib.mcf
% ** typeset by LuaLaTeX(luamplib)
%----------------------------------------------------------------------------
\documentclass[a4paper]{article}
@@ -21,17 +21,6 @@
\begin{mplibcode}
input mcf2graph;
\end{mplibcode}
-\everymplib{%
- sw_output:=Fig+Calc;
- tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
- fsize:=(60mm,35mm);
- blength:=0mm;
- max_blength:=10mm;
- ratio_thickness_bond:=0.015;
- ratio_atom_bond:=0.36;
- sw_frame:=Outside;
- fmargin:=(2mm,1mm);
-}%
%----------------------------------------------------------------------------
\edef\fext{mps}%
\topmargin=-18mm
@@ -54,126 +43,93 @@
\vspace{5mm}%
\quad
\begin{mplibcode}
-fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
-beginfigm("EN:Glycine",":<30,NH2,!2,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Alanine",":<30,NH2,!~wb,/_,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Valine",":<30,NH2,!~wb,/?!,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Leucine",":<30,NH2,!~wb,/'(!,?!),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
+sw_output:=Fig+Calc;
+max_blength:=10mm;
+ratio_thickness_bond:=0.015;
+ratio_atom_bond:=0.36;
+fmargin:=(2mm,1mm);
+fsize:=(40mm,25mm);
+blength:=6mm;
+sw_frame:=0;
+% Glycine",
+beginfigm cv(<30,NH2,!2,COOH) endfigm
+% L-Alanine
+beginfigm cv(<30,NH2,!~wb,/_,!,COOH) endfigm
+% L-Valine
+beginfigm cv(<30,NH2,!~wb,/?!,!,COOH) endfigm
+% L-Leucine
+beginfigm cv(<30,NH2,!~wb,/'(!,?!),!,COOH) endfigm
\end{mplibcode}
\\
\begin{mplibcode}
-fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
-beginfigm("EN:L-Isoleucine",":<30,NH2,!~wb,/'(/*_,!2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Serine",":<30,NH2,!~wb,/!OH,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Threonine",":<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Cysteine",":<30,NH2,!~wb,/!SH,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
+% L-Isoleucine
+beginfigm cv(<30,NH2,!~wb,/'(/*_,!2),!,COOH) endfigm
+% L-Serine
+beginfigm cv(<30,NH2,!~wb,/!OH,!,COOH) endfigm
+% L-Threonine
+beginfigm cv(<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH) endfigm
+% L-Cysteine
+beginfigm cv(<30,NH2,!~wb,/!SH,!,COOH) endfigm
\end{mplibcode}
\\
\begin{mplibcode}
-fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
-beginfigm("EN:L-Methionine",":<30,NH2,!~wb,/'(!2,S,!),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Phenylalanine",":<30,NH2,!~wb,/!Ph,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Tyrosine",":<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Triptophan",
- ":<30,NH2,!~wb,!,COOH, at 2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
+% L-Methionine
+beginfigm cv(<30,NH2,!~wb,/'(!2,S,!),!,COOH) endfigm
+% L-Phenylalanine
+beginfigm cv(<30,NH2,!~wb,/!Ph,!,COOH) endfigm
+% L-Tyrosine
+beginfigm cv(<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH) endfigm
+% L-Triptophan
+beginfigm cv(<30,NH2,!~wb,!,COOH, at 2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH) endfigm
\end{mplibcode}
\\
\begin{mplibcode}
-fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
-beginfigm("EN:L-Prorine",":<18,?5,3:NH,4:*/COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Glutamine",
- ":<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!,//O,!,NH2")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Asparagine",":<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Aspartic acid",":<30,NH2,!~wb,/!COOH,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
+% L-Prorine
+beginfigm cv(<18,?5,3:NH,4:*/COOH) endfigm
+% L-Glutamine
+beginfigm cv(<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!,//O,!,NH2) endfigm
+% L-Asparagine
+beginfigm cv(<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH) endfigm
+% L-Aspartic acid
+beginfigm cv(<30,NH2,!~wb,/!COOH,!,COOH) endfigm
\end{mplibcode}
\\
\begin{mplibcode}
-fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
-beginfigm("EN:L-Glutamic acid",":<30,NH2,!~wb,/'(!2,COOH),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Lysine",":<30,NH2,!~wb,/'(!4,NH2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Arginine",
- ":<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!2,NH,!,//NH,!,NH2")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Hystidine",
- ":<30,NH2,!~wb,!,COOH, at 2,\,!,|,?5,{1,3}=dl,3:N,5:NH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
+% L-Glutamic acid
+beginfigm cv(<30,NH2,!~wb,/'(!2,COOH),!,COOH) endfigm
+% L-Lysine
+beginfigm cv(<30,NH2,!~wb,/'(!4,NH2),!,COOH) endfigm
+% L-Arginine
+beginfigm cv(<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!2,NH,!,//NH,!,NH2) endfigm
+% L-Hystidine
+beginfigm cv(<30,NH2,!~wb,!,COOH, at 2,\,!,|,?5,{1,3}=dl,3:N,5:NH) endfigm
\end{mplibcode}
\\
\begin{mplibcode}
-fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
-beginfigm("EN:L-DOPA",":<30,NH2,!~wb,!,COOH, at 2,\,!,Ph,{-3,-4}:/OH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:Ornithine",":<30,NH2,!~wb,/'(!3,NH2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:Citrulline",":<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:GABA",":<30,NH2,!4,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
+% L-DOPA
+beginfigm cv(<30,NH2,!~wb,!,COOH, at 2,\,!,Ph,{-3,-4}:/OH) endfigm
+% Ornithine
+beginfigm cv(<30,NH2,!~wb,/'(!3,NH2),!,COOH) endfigm
+% Citrulline
+beginfigm cv(<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH) endfigm
+% GABA
+beginfigm cv(<30,NH2,!4,COOH) endfigm
\end{mplibcode}
\\
\begin{mplibcode}
-fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
-beginfigm("EN:amino Levulinic acid",":<30,NH2,!2,//O,!3,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:4-amino benzoic acid",":<30,Ph,1:/NH2,4:/COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Carboxyl glutamic acid",
- ":<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-beginfigm("EN:L-Hydroxy Prorine",":<18,?5,1:/OH,3:NH,4:*/COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
+% amino Levulinic acid
+beginfigm cv(<30,NH2,!2,//O,!3,COOH) endfigm
+% 4-amino benzoic acid
+beginfigm cv(<30,Ph,1:/NH2,4:/COOH) endfigm
+% L-Carboxyl glutamic acid
+beginfigm cv(<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH) endfigm
+% L-Hydroxy Prorine
+beginfigm cv(<18,?5,1:/OH,3:NH,4:*/COOH) endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
\twocolumn
\thispagestyle{empty}
\tableofcontents
-%-----------------------------------------------------------------------------
\linethickness{0.08mm}%
%----------------------------------------------------------------------------
\newpage
@@ -199,13 +155,15 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Chain 1")
+sw_frame:=Outside;
+blength:=0;
+beginfigm
fsize:=(60mm,17mm);
sw_numbering:=Bond;
numbering_end:=6;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MC(<15,-30,45,-45,60,$300,$0,
+ cv(<15,-30,45,-45,60,$300,$0,
{1^$15,2^$345,3^$30,4^$345}:/_~dt,{5,6}=vf,
)
add(
@@ -230,13 +188,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Chain 2")
+beginfigm
fsize:=(60mm,17mm);
sw_numbering:=Bond;
numbering_end:=6;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MC(<-30,!6,
+ cv(<-30,!6,
{1^-120,2^60,3^-60,4^60,5^-60,6^60}:/_~dt
)
add(
@@ -262,13 +220,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Jump and Branch")
+beginfigm
fsize:=(60mm,16mm);
fmargin:=(2mm,2mm);
sw_trimming:=1;
sw_numbering:=Atom;
ratio_chain_ring:=1;
- MC(<-30,!6, at 3,0,!, at 5,-30)
+ cv(<-30,!6, at 3,0,!, at 5,-30)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -281,13 +239,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Jump and Branch")
+beginfigm
fsize:=(60mm,16mm);
fmargin:=(2mm,2mm);
sw_numbering:=Atom;
sw_trimming:=1;
ratio_chain_ring:=1;
- MC(<-30,!6, at 3,\,!)
+ cv(<-30,!6, at 3,\,!)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -308,7 +266,7 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:branch1")
+beginfigm
fsize:=(60mm,16mm);
fmargin:=(2mm,2mm);
sw_numbering:=Atom;
@@ -315,7 +273,7 @@
sw_trimming:=1;
numbering_end:=10;
ratio_chain_ring:=1;
- MC(<30,!10, at 2,\,!, at 4,*\,!, at 6,\*,!, at 8,\\,!, at 10,*\*,!)
+ cv(<30,!10, at 2,\,!, at 4,*\,!, at 6,\*,!, at 8,\\,!, at 10,*\*,!)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -330,7 +288,7 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:branch2")
+beginfigm
fsize:=(60mm,20mm);
fmargin:=(2mm,2mm);
sw_trimming:=1;
@@ -338,7 +296,7 @@
numbering_end:=7;
ratio_chain_ring:=1;
%-------------------------
- MC(<30,!6, at 2,\~dr,!, at 4,\`1.5,-90, at 6,15,-60)
+ cv(<30,!6, at 2,\~dr,!, at 4,\`1.5,-90, at 6,15,-60)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -351,7 +309,7 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Connect atom")
+beginfigm
fsize:=(60mm,20mm);
fmargin:=(2mm,2mm);
sw_trimming:=1;
@@ -358,7 +316,7 @@
sw_numbering:=Atom;
ratio_chain_ring:=1;
%----------------------------------
- MC(<-30,!6, at 3,\,!3,&6~bd, at 9,&4~bz)
+ cv(<-30,!6, at 3,\,!3,&6~bd, at 9,&4~bz)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -371,13 +329,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:ring")
+beginfigm
fsize:=(60mm,20mm);
sw_trimming:=1;
fmargin:=(2mm,3mm);
sw_numbering:=Bond;
%---------------------------
- MC(?6)
+ cv(?6)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -390,7 +348,7 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:rotate 1")
+beginfigm
fsize:=(60mm,20mm);
fmargin:=(2mm,3mm);
sw_trimming:=1;
@@ -399,7 +357,7 @@
numbering_end:=7;
defaultscale:=0.5;
labeloffset:=2bp;
- MC(#1,0,0,<90,0,<-90,0,<$315,0,<$90,0,<$0,0,{1:7}=vf,
+ cv(#1,0,0,<90,0,<-90,0,<$315,0,<$90,0,<$0,0,{1:7}=vf,
{3,4^180}:/_~dt)
add(
drawarrow B8/*.7{B8left}..{B3left}B3/*.7; label.urt("90",B8/*.7);
@@ -434,12 +392,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change bond 1")
+beginfigm
fsize:=(70mm,10mm);
fmargin:=(2mm,2mm);
sw_trimming:=0;
ratio_chain_ring:=1;
- MC(<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm)
+ cv(<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm)
add(defaultscale:=0.6; labeloffset:=0;
label.rt("(dm)",A1+(0,-0.7l));
label.rt("(dl)",A3+(0,-0.7l));
@@ -474,12 +432,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change bond 2")
+beginfigm
fsize:=(70mm,10mm);
fmargin:=(2mm,2mm);
sw_trimming:=0;
ratio_chain_ring:=1;
- MC(<-30,!~wf,!,!~wb,!,!~zf,!,!~zb,!,!~vf,!,!~vb)
+ cv(<-30,!~wf,!,!~wb,!,!~zf,!,!~zb,!,!~vf,!,!~vb)
add(defaultscale:=0.6; labeloffset:=0;
label.rt("(wf)",A1+(0,-0.7l));
label.rt("(wb)",A3+(0,-0.7l));
@@ -508,13 +466,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change bond 3")
+beginfigm
fsize:=(70mm,10mm);
fmargin:=(2mm,2mm);
blength:=9mm;
sw_trimming:=1;
ratio_chain_ring:=1;
- MC(<-30,!7,1=dt,3=wv,5=bd,7=bz)
+ cv(<-30,!7,1=dt,3=wv,5=bd,7=bz)
add(defaultscale:=0.6; labeloffset:=0;
label.rt("(dt)",A1+(0,-0.6l));
label.rt("(wv)",A3+(0,-0.6l));
@@ -552,11 +510,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:over line")
+beginfigm
sw_trimming:=1;
fsize:=(75mm,20mm);
ratio_chain_ring:=1;
- MC(<30,!18,$90`1.5,90`15.5,
+ cv(<30,!18,$90`1.5,90`15.5,
{2~si_,4~wf_,6~wb_,8~zf_,10~zb_,
12~bd_,14~dl_,16~dr_,18~dm_}:/_`2)
endfigm
@@ -577,17 +535,17 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Steric ring")
+beginfigm
fsize:=(75mm,16mm);
- MCat(0.05,0.5)(#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##,
+ cv_at(0.05,0.5)(#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##,
#.5,{1^$-90,2^$90,3^$-90,4^$90}:/OH,6^$90:/!OH)
defaultscale:=0.6;
- MCat(0.5,0.7)(0~wf_r) add(label.lft("wf_r:",A1);)
- MCat(0.5,0.2)(0~wf) add(label.lft("wf:",A1);)
- MCat(0.75,0.7)(0~bd_r) add(label.lft("bd_r:",A1);)
- MCat(0.75,0.2)(0~bd) add(label.lft("bd:",A1);)
- MCat(1,0.7)(0~wb_r) add(label.lft("wb_r:",A1);)
- MCat(1,0.2)(0~wb) add(label.lft("wb:",A1);)
+ cv_at(0.5,0.7)(0~wf_r) add(label.lft("wf_r:",A1);)
+ cv_at(0.5,0.2)(0~wf) add(label.lft("wf:",A1);)
+ cv_at(0.75,0.7)(0~bd_r) add(label.lft("bd_r:",A1);)
+ cv_at(0.75,0.2)(0~bd) add(label.lft("bd:",A1);)
+ cv_at(1,0.7)(0~wb_r) add(label.lft("wb_r:",A1);)
+ cv_at(1,0.2)(0~wb) add(label.lft("wb:",A1);)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -600,11 +558,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change multi bond")
+beginfigm
fsize:=(60mm,8mm);
fmargin:=(2mm,3mm);
ratio_chain_ring:=1;
- MC(<30,!9,{2,4,6,8'}=dl)
+ cv(<30,!9,{2,4,6,8'}=dl)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -618,10 +576,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change bond length1")
+beginfigm
fsize:=(55mm,8mm);
sw_numbering:=Bond;
- MC(<-30,!2,!4`1.2,!2)
+ cv(<-30,!2,!4`1.2,!2)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -635,10 +593,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change bond length2")
+beginfigm
fsize:=(55mm,8mm);
sw_numbering:=Bond;
- MC(<-30,!2,#1.2,!4,##,!2)
+ cv(<-30,!2,#1.2,!4,##,!2)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -650,12 +608,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change ring length")
+beginfigm
fsize:=(60mm,16mm);
fmargin:=(2mm,2mm);
sw_trimming:=1;
sw_numbering:=Bond;
- MC(?6, at 4,\,?6`1.2)
+ cv(?6, at 4,\,?6`1.2)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -668,10 +626,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Insert atom")
+beginfigm
sw_trimming:=1;
fsize:=(50mm,7mm);
- MC(<-30,!2,O,!2,N,!2)
+ cv(<-30,!2,O,!2,N,!2)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -685,12 +643,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change atom",":<30,!5,2:O,{3,4}:N")
+beginfigm
fsize:=(70mm,10mm);
msize:=(0.48,1);
- MCat(0,0.5)(scantokens(mc))
+ cv_at(0,0.5)(<30,!5,2:O,{3,4}:N)
sw_numbering:=Atom;
- MCat(1,0.5)(scantokens(mc))
+ cv_at(1,0.5)(<30,!5,2:O,{3,4}:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -703,13 +661,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change atom brock address 1",":?6, at 4,\,|,?6,2:O")
+beginfigm
fsize:=(70mm,14mm);
fmargin:=(3mm,1.5mm);
- MCat(0,.5)(scantokens(mc))
+ cv_at(0,.5)(?6, at 4,\,|,?6,2:O)
sw_numbering:=Atom;
msize:=(1,.88);
- MCat(1,.5)(scantokens(mc))
+ cv_at(1,.5)(?6, at 4,\,|,?6,2:O)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -722,13 +680,14 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change atom brock address 2",":?6, at 4,\,|,?6,||,2:N")
+beginfigm
+ cv(?6, at 4,\,|,?6,||,2:N)
fsize:=(70mm,14mm);
fmargin:=(3mm,1.5mm);
- MCat(0,.5)(scantokens(mc))
+ cv_at(0,.5)(?6, at 4,\,|,?6,||,2:N)
sw_numbering:=Atom;
msize:=(1,.88);
- MCat(1,.5)(scantokens(mc))
+ cv_at(1,.5)(?6, at 4,\,|,?6,||,2:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -741,13 +700,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change atom absolute address",":?6, at 4,\,?6,$2:N")
+beginfigm
fsize:=(70mm,14mm);
fmargin:=(3mm,1.5mm);
- MCat(0,.5)(scantokens(mc))
+ cv_at(0,.5)(?6, at 4,\,?6,$2:N)
sw_numbering:=Atom;
msize:=(1,.88);
- MCat(1,.5)(scantokens(mc))
+ cv_at(1,.5)(?6, at 4,\,?6,$2:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -759,13 +718,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change atom relative adress",":?6, at 4,\,?6,-2:N")
+beginfigm
fsize:=(70mm,14mm);
fmargin:=(3mm,1.5mm);
- MCat(0,.5)(scantokens(mc))
+ cv_at(0,.5)(?6, at 4,\,?6,-2:N)
sw_numbering:=Atom;
msize:=(1,.88);
- MCat(1,.5)(scantokens(mc))
+ cv_at(1,.5)(?6, at 4,\,?6,-2:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -778,10 +737,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Charged atom")
+beginfigm
sw_trimming:=1;
fsize:=(60mm,12mm);
- MC(<-30,!2,N,??,p_,!2,S,n_^180,!6,7:N,7:??,9:S,7:p_,9:n_^180)
+ cv(<-30,!2,N,??,p_,!2,S,n_^180,!6,7:N,7:??,9:S,7:p_,9:n_^180)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -799,12 +758,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:fused ring")
+beginfigm
fsize:=(60mm,18mm);
fmargin:=(2mm,1.5mm);
sw_trimming:=1;
sw_numbering:=Bond;
- MC(<30,?6,3=?6,3=dt,{7:11}=bd_r)
+ cv(<30,?6,3=?6,3=dt,{7:11}=bd_r)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -816,12 +775,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change ring length")
+beginfigm
fsize:=(60mm,25mm);
fmargin:=(2mm,2mm);
sw_trimming:=1;
sw_numbering:=Bond;
- MC(?6, at 4,\,?6`1.2,5=?6,11=?6,
+ cv(?6, at 4,\,?6`1.2,5=?6,11=?6,
{14:23}=bd_r,{5,11}=dt)
endfigm
\end{mplibcode}
@@ -835,13 +794,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:fused large 6 ring")
+beginfigm
fsize:=(60mm,18mm);
fmargin:=(2mm,1.5mm);
margin_top_bottom:=1.5mm;
sw_numbering:=Bond;
sw_trimming:=1;
- MC(<30,?6,3=?6[13],3=dt,{7:11}=bd_r)
+ cv(<30,?6,3=?6[13],3=dt,{7:11}=bd_r)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -851,12 +810,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:fuse multi ring")
+beginfigm
fsize:=(70mm,20mm);
fmargin:=(2mm,2mm);
sw_numbering:=Bond;
sw_trimming:=1;
- MC(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt)
+ cv(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -874,18 +833,18 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:fused ring 2")
+beginfigm
fsize:=(75mm,20mm);
fmargin:=(2mm,2mm);
sw_numbering:=Bond;
msize:=(1,.9);
- MCat( 0,.5)(<30,?6,{3,11--4}=?6,{11,4}=dt,{12:15}=bd_r)
+ cv_at( 0,.5)(<30,?6,{3,11--4}=?6,{11,4}=dt,{12:15}=bd_r)
add(defaultscale:=0.4; label("(1)",p0);)
msize:=(1,.9);
- MCat(.5,.5)(<30,?6,3=?6,{11--4}=?5,{11,4}=dt,{12:14}=bd_r)
+ cv_at(.5,.5)(<30,?6,3=?6,{11--4}=?5,{11,4}=dt,{12:14}=bd_r)
add(defaultscale:=0.4; label("(2)",p0);)
msize:=(1,.9);
- MCat( 1,.5)(<30,?6,3=?6,{11--4}=?4,{11,4}=dt,{12,13}=bd_r)
+ cv_at( 1,.5)(<30,?6,3=?6,{11--4}=?4,{11,4}=dt,{12,13}=bd_r)
add(defaultscale:=0.4; label("(3)",p0);)
endfigm
\end{mplibcode}
@@ -904,13 +863,13 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:fused ring 3")
+beginfigm
fsize:=(60mm,20mm);
fmargin:=(2mm,2mm);
sw_numbering:=Bond;
- MCat(0,1)(?6,{3,10}=?6,16---4=?6,{16,4}=dt,{17:19}=bd_r)
+ cv_at(0,1)(?6,{3,10}=?6,16---4=?6,{16,4}=dt,{17:19}=bd_r)
add(defaultscale:=0.4; label("(1)",p0);)
- MCat(1,0)(?6,{3,10}=?6,16---4=?5,{16,4}=dt,{17,18}=bd_r)
+ cv_at(1,0)(?6,{3,10}=?6,16---4=?5,{16,4}=dt,{17,18}=bd_r)
add(defaultscale:=0.4; label("(2)",p0);)
endfigm
\end{mplibcode}
@@ -927,11 +886,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:fused ring 4")
+beginfigm
fsize:=(60mm,20mm);
fmargin:=(2mm,2mm);
sw_numbering:=Bond;
- MC(<-30,?6,{3,10,15}=?6,21----4=?6,{21,4}=dt,{22,23}=bd_r)
+ cv(<-30,?6,{3,10,15}=?6,21----4=?6,{21,4}=dt,{22,23}=bd_r)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -943,12 +902,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Spiro ring ")
+beginfigm
fsize:=(40mm,15mm);
sw_numbering:=Atom;
numbering_end:=7;
ratio_chain_ring:=1;
- MC(<30,!6, at 4,?5)
+ cv(<30,!6, at 4,?5)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -971,9 +930,9 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:group 1")
+beginfigm
fsize:=(75mm,18mm);
- MC(<30,!,/_,!2,/!,!2,/!,!4,/?!,!4,/??!,!2,/'(Ph`0.8)^-60,!)
+ cv(<30,!,/_,!2,/!,!2,/!,!4,/?!,!4,/??!,!2,/'(Ph`0.8)^-60,!)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -994,9 +953,9 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:group 2")
+beginfigm
fsize:=(70mm,14mm);
- MC(<30,!`1,//O,!2`1,*/H,!2`1,/*H,!2`1,*/*H,!2`1,**?3,!`1)
+ cv(<30,!`1,//O,!2`1,*/H,!2`1,/*H,!2`1,*/*H,!2`1,**?3,!`1)
add(defaultscale:=0.75;
label("//",A2-(0,0.45l));
label("*/",A4-(0,0.45l));
@@ -1022,10 +981,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:group 3")
+beginfigm
fsize:=(60mm,16mm);
sw_trimming:=1;
- MC(<-30,#1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!)
+ cv(<-30,#1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1037,12 +996,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:group 3")
+beginfigm
fsize:=(75mm,25mm);
fmargin:=(2mm,2mm);
sw_numbering:=Atom;
numbering_end:=17;
- MC(<30,!17,2:/_,3:/!,4:/!2,7:/iPr,8:/tBu,10:/'(Ph`0.6)^-15,
+ cv(<30,!17,2:/_,3:/!,4:/!2,7:/iPr,8:/tBu,10:/'(Ph`0.6)^-15,
{11,12,13'}:*/_,{15,16,17'}:/*_)
endfigm
\end{mplibcode}
@@ -1055,12 +1014,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:group 4")
+beginfigm
fsize:=(60mm,18mm);
sw_trimming:=1;
fmargin:=(2mm,2mm);
sw_numbering:=Atom; numbering_end:=9;
- MC(<30,!8`1,{2~wf,4~zf,6^-30,8^$120}:/_)
+ cv(<30,!8`1,{2~wf,4~zf,6^-30,8^$120}:/_)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1072,12 +1031,12 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:group 5")
+beginfigm
fsize:=(60mm,16mm);
sw_trimming:=1;
sw_numbering:=Atom;
numbering_end:=8;
- MC(<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl)
+ cv(<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1098,11 +1057,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:chain strech direction mode 1")
+beginfigm
fsize:=(50mm,25mm);
sw_trimming:=1;
ratio_chain_ring:=1;
- MC(?4,{3^-90,3^-30,3^90}:/!3>hz,
+ cv(?4,{3^-90,3^-30,3^90}:/!3>hz,
{1^-60,1,1^60}:/!3>vt
)
add(defaultscale:=0.5; labeloffset:=2bp;
@@ -1129,10 +1088,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Left-right_right-left")
+beginfigm
+%%%%% EN:Left-right_right-left
fsize:=(40mm,20mm);
sw_trimming:=1;
- MC(<30,!4,2:/!6>30,4:/!4>-45)
+ cv(<30,!4,2:/!6>30,4:/!4>-45)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1148,10 +1108,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Fixed rotate angle")
+beginfigm
fsize:=(40mm,20mm);
sw_trimming:=1;
- MC(<30,!4,2:/!6>30,4:/!4>-45)
+ cv(<30,!4,2:/!6>30,4:/!4>-45)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1163,10 +1123,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Multiple rotate angle")
+beginfigm
fsize:=(60mm,20mm);
sw_trimming:=1;
- MC(<30,!6,6>'(90,-90,90,-90,90):/!5)
+ cv(<30,!6,6>'(90,-90,90,-90,90):/!5)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1187,10 +1147,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:change atom and group")
+beginfigm
fsize:=(60mm,12mm);
sw_trimming:=1;
- MC(<-30,!2,NH,!2,N!,!2,N!2,!2,SO,!2,SOO,!)
+ cv(<-30,!2,NH,!2,N!,!2,N!2,!2,SO,!2,SOO,!)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1207,10 +1167,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:methyl*2,isopropyl,tert-butyl")
+beginfigm
fsize:=(60mm,12mm);
sw_trimming:=1;
- MC(<30,!9`1,?!,!,??,!,2:??,4:/?!,6:/??!,8:/N?!)
+ cv(<30,!9`1,?!,!,??,!,2:??,4:/?!,6:/??!,8:/N?!)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1219,15 +1179,15 @@
'(..) : user defined parts
iBuOH:='(!,/_,!,OH);
-MC(<30,?6,{4,6}:/iBuOH)
+cv(<30,?6,{4,6}:/iBuOH)
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:User definition")
+beginfigm
fsize:=(60mm,13mm);
sw_trimming:=1;
iBuOH:='(!,/_,!,OH);
- MC(<30,?6,{4,6}:/iBuOH)
+ cv(<30,?6,{4,6}:/iBuOH)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1237,11 +1197,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Inline definition")
+beginfigm
fsize:=(60mm,13mm);
fmargin:=(2mm,1mm);
sw_trimming:=1;
- MC(<30,!8,{2,6}:/'(!,/_,!,OH))
+ cv(<30,!8,{2,6}:/'(!,/_,!,OH))
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1256,11 +1216,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Move position")
+beginfigm
fsize:=(70mm,16mm);
fmargin:=(2mm,1mm);
sw_trimming:=1;
- MC(<30,?6, at 3,\,!3,//O,!,O,n_^60,@$(6,1),H,p_^15)
+ cv(<30,?6, at 3,\,!3,//O,!,O,n_^60,@$(6,1),H,p_^15)
add(drawdot A1 withpen pencircle scaled 2bp;
pickup pencircle scaled 0.1bp;
for i=0 upto 6:
@@ -1280,11 +1240,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Serial number")
+beginfigm
fsize:=(75mm,14mm);
max_blength:=8mm;
sw_numbering:=Atom; numbering_end:=15;
- MC(<30,!14,{2,6:10,14}:/_~bd_r`0.5)
+ cv(<30,!14,{2,6:10,14}:/_~bd_r`0.5)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1294,8 +1254,8 @@
\index{blue}%
\index{green}%
\begin{verbatim}
-beginfigm()
- MC(
+beginfigm
+ cv(
<30,Ph,{2,5}:N,3:/NH2,4:/COOH,
%---------------------
2:red, % red A2
@@ -1307,10 +1267,10 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Change color")
+beginfigm
fsize:=(50mm,20mm);
max_blength:=8mm;
- MC(
+ cv(
<30,Ph,{2,5}:N,3:/NH2,4:/COOH,
2:red,5:blue,3=green
)
@@ -1320,20 +1280,20 @@
\subsubsection{Change font}
\index{atomfont}%
\begin{verbatim}
-beginfigm()
+beginfigm
%----------------
atomfont:="cmr8";
%----------------
- MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
+ cv(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
endfigm
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:Change font")
+beginfigm
fsize:=(50mm,20mm);
max_blength:=8mm;
atomfont:="cmr8";
- MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
+ cv(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
endfigm
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -1344,20 +1304,21 @@
\begin{verbatim}
mangle=0 ** default
-MCat(0.2,0.5)(Ph)
+cv_at(0.2,0.5)(Ph)
mangle:=30;
-MCat(0.8,0.5)(Ph)
+cv_at(0.8,0.5)(Ph)
\end{verbatim}
%-----------------------------------------
+%% mangle
\begin{mplibcode}
-beginfigm("EN:mangle")
+beginfigm
fsize:=(50mm,15mm);
blength:=6mm;
mangle:=0;
- MCat(0.2,0.5)(Ph)
+ cv_at(0.2,0.5)(Ph)
add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);)
mangle:=30;
- MCat(0.8,0.5)(Ph)
+ cv_at(0.8,0.5)(Ph)
add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);)
endfigm
\end{mplibcode}
@@ -1372,10 +1333,11 @@
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
-beginfigm("EN:blength=0")
+%%% blength=0
+beginfigm
sw_frame:=Bothside;
fsize:=(40mm,15mm);
- MC(<30,Ph)
+ cv(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -1392,11 +1354,12 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:0<blength=<1")
+%% 0<blength=<1
+beginfigm
sw_frame:=Bothside;
fsize:=(40mm,15mm);
blength:=0.1;
- MC(<30,Ph)
+ cv(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -1413,11 +1376,12 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:blength>1")
+%%%% blength>1
+beginfigm
sw_frame:=Bothside;
fsize:=(40mm,15mm);
blength:=8mm;
- MC(<30,Ph)
+ cv(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -1433,12 +1397,13 @@
msize=(1,1) ** default
\end{verbatim}
%---------------------------------------------
+%% msize=(1)
\begin{mplibcode}
-beginfigm("EN:msize=(1)")
+beginfigm
sw_frame:=Bothside+Mol;
fsize:=(40mm,15mm);
msize:=(1,1);
- MC(<30,Ph)
+ cv(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -1453,12 +1418,13 @@
msize=40mm-4mm*0.25=9mm
\end{verbatim}
%---------------------------------------------
+%% msize=(0.25,1)
\begin{mplibcode}
-beginfigm("EN:msize=(0.25,1)")
+beginfigm
sw_frame:=Bothside+Mol;
fsize:=(40mm,15mm);
msize:=(0.25,1);
- MC(<30,Ph)
+ cv(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -1472,12 +1438,13 @@
msize=(11mm,11mm)
\end{verbatim}
%---------------------------------------------
+%% msize=(11mm,11mm)
\begin{mplibcode}
-beginfigm("EN:msize=(11mm,11mm)")
+beginfigm
sw_frame:=Bothside+Mol;
fsize:=(40mm,15mm);
msize:=(11mm,11mm);
- MC(<30,Ph)
+ cv(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -1493,13 +1460,14 @@
mposition=(0.5,0.5) ** default
\end{verbatim}
%---------------------------------------------
+%% mposition
\begin{mplibcode}
-beginfigm("EN:mposition")
+beginfigm
sw_frame:=Bothside+Mol;
fsize:=(40mm,15mm);
msize:=(1,0.8);
mposition:=(0.5,0.5);
- MC(<30,Ph)
+ cv(<30,Ph)
endfigm
\end{mplibcode}
%--------------------------------------------------------------
@@ -1507,13 +1475,14 @@
mposition=(1,0)
\end{verbatim}
%---------------------------------------------
+%% mposition
\begin{mplibcode}
-beginfigm("EN:mposition")
+beginfigm
sw_frame:=Bothside+Mol;
fsize:=(40mm,15mm);
msize:=(1,0.8);
mposition:=(1,0);
- MC(<30,Ph)
+ cv(<30,Ph)
endfigm
\end{mplibcode}
%--------------------------------------------------------------
@@ -1522,12 +1491,12 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:mposition")
+beginfigm
sw_frame:=sw_frame+Mol;
fsize:=(40mm,15mm);
msize:=(1,0.8);
mposition:=(10mm,4mm);
- MC(<30,Ph)
+ cv(<30,Ph)
ext(drawdot p1 withpen pencircle scaled 3pt;
pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
@@ -1549,11 +1518,12 @@
fsize=(40mm,15mm)
\end{verbatim}
%---------------------------------------------
+%% Figure size
\begin{mplibcode}
-beginfigm("EN:Figure size")
+beginfigm
fsize:=(40mm,12mm);
sw_frame:=Outside;
- MC(<30,Ph)
+ cv(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -1572,12 +1542,13 @@
fmargin=(10mm,2mm)
\end{verbatim}
%---------------------------------------------
+%% fmargin
\begin{mplibcode}
-beginfigm("EN:fmargin")
+beginfigm
fsize:=(40mm,12mm);
sw_frame:=Bothside+Mol;
- fmargin:=(10mm,1mm);
- MC(<30,Ph)
+ fmargin:=(10mm,2mm);
+ cv(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -1594,12 +1565,13 @@
default: offset_thickness=0.2pt
\end{verbatim}
%---------------------------------------------
+%%offset_thickness
\begin{mplibcode}
-beginfigm("EN:offset_thickness",":<30,Ph")
+beginfigm
fsize:=(60mm,12mm);
- offset_thickness:=0.0pt; MCat(0.1,0.5)(scantokens(mc))
- offset_thickness:=0.2pt; MCat(0.55,0.5)(scantokens(mc))
- offset_thickness:=0.5pt; MCat(1,0.5)(scantokens(mc))
+ offset_thickness:=0.0pt; cv_at(0.1,0.5)(<30,Ph)
+ offset_thickness:=0.2pt; cv_at(0.55,0.5)(<30,Ph)
+ offset_thickness:=0.5pt; cv_at(1,0.5)(<30,Ph)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.0pt",(0,1bp));
label.urt("0.2pt",(0.36w,1bp));
@@ -1615,11 +1587,11 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:offset_bond_gap",":<30,Ph")
+beginfigm
fsize:=(60mm,12mm);
- offset_bond_gap:=0.0pt; MCat(0.1, 0.5)(scantokens(mc))
- offset_bond_gap:=0.3pt; MCat(0.55,0.5)(scantokens(mc)) %<<== default
- offset_bond_gap:=1.0pt; MCat(1, 0.5)(scantokens(mc))
+ offset_bond_gap:=0.0pt; cv_at(0.1, 0.5)(<30,Ph)
+ offset_bond_gap:=0.3pt; cv_at(0.55,0.5)(<30,Ph) %<<== default
+ offset_bond_gap:=1.0pt; cv_at(1, 0.5)(<30,Ph)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.0pt",(0,1bp));
label.urt("0.3pt",(0.36w,1bp));
@@ -1635,11 +1607,11 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:offset_atom")
+beginfigm
fsize:=(60mm,12mm);
- offset_atom:=0.0pt; MCat(0.1, .5)(<30,?6,3:O)
- offset_atom:=0.8pt; MCat(.55, .5)(<30,?6,3:O) %<<== default
- offset_atom:=2.0pt; MCat(1, .5)(<30,?6,3:O)
+ offset_atom:=0.0pt; cv_at(0.1, .5)(<30,?6,3:O)
+ offset_atom:=0.8pt; cv_at(.55, .5)(<30,?6,3:O) %<<== default
+ offset_atom:=2.0pt; cv_at(1, .5)(<30,?6,3:O)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.0pt",(0,1bp));
label.urt("0.8pt",(0.36w,1bp));
@@ -1655,11 +1627,11 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:offset_wedge")
+beginfigm
fsize:=(60mm,12mm);
- offset_wedge:=0.0pt; MCat(0.1,0.5)(<30,?6,5:*/_)
- offset_wedge:=0.4pt; MCat(0.55,0.5)(<30,?6,5:*/_) %<<== default
- offset_wedge:=1.0pt; MCat(1, 0.5)(<30,?6,5:*/_)
+ offset_wedge:=0.0pt; cv_at(0.1,0.5)(<30,?6,5:*/_)
+ offset_wedge:=0.4pt; cv_at(0.55,0.5)(<30,?6,5:*/_) %<<== default
+ offset_wedge:=1.0pt; cv_at(1, 0.5)(<30,?6,5:*/_)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.0pt",(0,1bp));
label.urt("0.4pt",(0.36w,1bp));
@@ -1675,12 +1647,12 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:max_blength")
+beginfigm
fsize:=(60mm,20mm);
sw_frame:=sw_frame+Mol;
- max_blength:=5mm; MCat(0, .5)(<30,Ph)
- max_blength:=8mm; MCat(.4,.5)(<30,Ph)
- max_blength:=10mm; MCat(1, .5)(<30,Ph) %<<== default
+ max_blength:=5mm; cv_at(0, .5)(<30,Ph)
+ max_blength:=8mm; cv_at(.4,.5)(<30,Ph)
+ max_blength:=10mm; cv_at(1, .5)(<30,Ph) %<<== default
ext(defaultscale:=0.6; labeloffset:=1bp;
label("5mm", (0.1w,0.5h));
label("8mm", (0.42w,0.5h));
@@ -1698,11 +1670,11 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:ratio_thickness_bond")
+beginfigm
fsize:=(60mm,12mm);
- ratio_thickness_bond:=0.005; MCat(0.1,0.5)(<30,Ph)
- ratio_thickness_bond:=0.015; MCat(.55,0.5)(<30,Ph) %<<== default
- ratio_thickness_bond:=0.03; MCat(1, 0.5)(<30,Ph)
+ ratio_thickness_bond:=0.005; cv_at(0.1,0.5)(<30,Ph)
+ ratio_thickness_bond:=0.015; cv_at(.55,0.5)(<30,Ph) %<<== default
+ ratio_thickness_bond:=0.03; cv_at(1, 0.5)(<30,Ph)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.005",(0,1bp));
label.urt("0.015",(0.36w,1bp));
@@ -1718,11 +1690,11 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:ratio_char_bond")
+beginfigm
fsize:=(60mm,12mm);
- ratio_char_bond:=1.0; MCat(0, .5)(<30,?6,6:O,3:NH)
- ratio_char_bond:=1.5; MCat(.5, .5)(<30,?6,6:O,3:NH) %<<== default
- ratio_char_bond:=2.0; MCat( 1, .5)(<30,?6,6:O,3:NH)
+ ratio_char_bond:=1.0; cv_at(0, .5)(<30,?6,6:O,3:NH)
+ ratio_char_bond:=1.5; cv_at(.5, .5)(<30,?6,6:O,3:NH) %<<== default
+ ratio_char_bond:=2.0; cv_at( 1, .5)(<30,?6,6:O,3:NH)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("1.0",(0,1bp));
label.urt("1.5",(0.36w,1bp));
@@ -1738,11 +1710,11 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:ratio_bondgap_bond")
+beginfigm
fsize:=(60mm,12mm);
- ratio_bondgap_bond:=0.10; MCat(0.1, .5)(<30,Ph)
- ratio_bondgap_bond:=0.15; MCat(.55, .5)(<30,Ph) %<<== default
- ratio_bondgap_bond:=0.20; MCat(1 , .5)(<30,Ph)
+ ratio_bondgap_bond:=0.10; cv_at(0.1, .5)(<30,Ph)
+ ratio_bondgap_bond:=0.15; cv_at(.55, .5)(<30,Ph) %<<== default
+ ratio_bondgap_bond:=0.20; cv_at(1 , .5)(<30,Ph)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.10",(0,1bp));
label.urt("0.15",(0.36w,1bp));
@@ -1758,11 +1730,11 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:ratio_atom_bond")
+beginfigm
fsize:=(60mm,12mm);
- ratio_atom_bond:=0.25; MCat(0.1, .5)(<30,?6,3:O)
- ratio_atom_bond:=0.33; MCat(.55, .5)(<30,?6,3:O) %<<== default
- ratio_atom_bond:=0.45; MCat(1, .5)(<30,?6,3:O)
+ ratio_atom_bond:=0.25; cv_at(0.1, .5)(<30,?6,3:O)
+ ratio_atom_bond:=0.33; cv_at(.55, .5)(<30,?6,3:O) %<<== default
+ ratio_atom_bond:=0.45; cv_at(1, .5)(<30,?6,3:O)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.25",(0,1bp));
label.urt("0.33",(0.36w,1bp));
@@ -1778,11 +1750,11 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:ratio_wedge_bond")
+beginfigm
fsize:=(70mm,12mm);
- ratio_wedge_bond:=0.1; MCat(0.05,.5)(?6,4:*/_)
- ratio_wedge_bond:=0.12; MCat(.55, .5)(?6,4:*/_) %<<== default
- ratio_wedge_bond:=0.2; MCat(1 , .5)(?6,4:*/_)
+ ratio_wedge_bond:=0.1; cv_at(0.05,.5)(?6,4:*/_)
+ ratio_wedge_bond:=0.12; cv_at(.55, .5)(?6,4:*/_) %<<== default
+ ratio_wedge_bond:=0.2; cv_at(1 , .5)(?6,4:*/_)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.10",(0,1bp));
label.urt("0.12",(0.36w,1bp));
@@ -1793,17 +1765,19 @@
%-----------------------------------------------------------------------------
\subsubsection{Figure atom gap/atom length}
\index{ratio\_atomgap\_atom}%
+\index{readm()}%
\begin{verbatim}
default: ratio_atomgap_atom= 0.050
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:ratio_atomgap_atom",":<30,!2`0.5,2:O")
+beginfigm
+ readm("<30,!2`0.5,2:O")
fsize:=(70mm,12mm);
sw_frame:=sw_frame+Atom;
- ratio_atomgap_atom:=0.00; MCat(0, .5)(scantokens(mc))
- ratio_atomgap_atom:=0.050; MCat(.5,.5)(scantokens(mc)) %<<== default
- ratio_atomgap_atom:=0.12; MCat(1, .5)(scantokens(mc))
+ ratio_atomgap_atom:=0.00; cv_at(0, .5)(scantokens(mc))
+ ratio_atomgap_atom:=0.050; cv_at(.5,.5)(scantokens(mc)) %<<== default
+ ratio_atomgap_atom:=0.12; cv_at(1, .5)(scantokens(mc))
ext(defaultscale:=0.75; labeloffset:=1bp;
label.urt("0.00",(0.05w,1bp));
label.urt("0.05",(0.45w,1bp));
@@ -1819,11 +1793,11 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:ratio_chain_ring")
+beginfigm
fsize:=(70mm,12mm);
- ratio_chain_ring:= 0.4; MCat(0.05,.5)(<30,?6,4:/!)
- ratio_chain_ring:= 0.66; MCat(.45, .5)(<30,?6,4:/!) %<<== default
- ratio_chain_ring:= 1; MCat(1, .5)(<30,?6,4:/!)
+ ratio_chain_ring:= 0.4; cv_at(0.05,.5)(<30,?6,4:/!)
+ ratio_chain_ring:= 0.66; cv_at(.45, .5)(<30,?6,4:/!) %<<== default
+ ratio_chain_ring:= 1; cv_at(1, .5)(<30,?6,4:/!)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.40",(0,1bp));
label.urt("0.66",(0.3w,1bp));
@@ -1839,11 +1813,12 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:ratio_hashgap_bond",":<30,!2,2:/*_`1.5")
+beginfigm
+ readm("<30,!2,2:/*_`1.5")
fsize:=(70mm,15mm);
- ratio_hashgap_bond:=0.06; MCat(0.08,.5)(scantokens(mc))
- ratio_hashgap_bond:=0.12; MCat( .55,.5)(scantokens(mc)) %<<== default
- ratio_hashgap_bond:=0.20; MCat(1, .5)(scantokens(mc))
+ ratio_hashgap_bond:=0.06; cv_at(0.08,.5)(scantokens(mc))
+ ratio_hashgap_bond:=0.12; cv_at( .55,.5)(scantokens(mc)) %<<== default
+ ratio_hashgap_bond:=0.20; cv_at(1, .5)(scantokens(mc))
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.06",(0,1bp));
label.urt("0.12",(0.4w,1bp));
@@ -1868,15 +1843,15 @@
default: sw_numbering=0
sw_numbering:=Atom;
-MC(<-30,!9)
+cv(<-30,!9)
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch numbering atom")
+beginfigm
fsize:=(60mm,10mm);
ratio_chain_ring:=1;
numbering_start:=3; numbering_end:=8;
- sw_numbering:=Atom; MC(<-30,!9)
+ sw_numbering:=Atom; cv(<-30,!9)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1891,15 +1866,15 @@
default: sw_numbering=0
sw_numbering:=Bond;
-MC(<-30,!9)
+cv(<-30,!9)
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch numbering bond")
+beginfigm
fsize:=(60mm,10mm);
ratio_chain_ring:=1;
numbering_start:=3; numbering_end:=8;
- sw_numbering:=Bond; MC(<-30,!9)
+ sw_numbering:=Bond; cv(<-30,!9)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1908,33 +1883,33 @@
\begin{verbatim}
sw_trimming:=0; ** default
msize:=(1,0.7);
-MCat(0.2,0.3)(Ph)
-MCat(0.8,0.7)(Ph)
+cv_at(0.2,0.3)(Ph)
+cv_at(0.8,0.7)(Ph)
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch trimming")
+beginfigm
fsize:=(60mm,20mm);
sw_frame:=Bothside+Mol;
- msize:=(1,.7); MCat(.2,.3)(Ph)
- MCat(.8,.7)(Ph)
+ msize:=(1,.7); cv_at(.2,.3)(Ph)
+ cv_at(.8,.7)(Ph)
endfigm
\end{mplibcode}
%------------------------------------------------------
\begin{verbatim}
sw_trimming:=1;
-MCat(0.2,0.3)(Ph)
-MCat(0.8,0.7)(Ph)
+cv_at(0.2,0.3)(Ph)
+cv_at(0.8,0.7)(Ph)
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch trimming")
+beginfigm
fsize:=(60mm,20mm);
sw_frame:=Bothside+Mol;
sw_trimming:=1;
msize:=(1,.7);
- MCat(.2,.3)(Ph)
- MCat(.8,.7)(Ph)
+ cv_at(.2,.3)(Ph)
+ cv_at(.8,.7)(Ph)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1941,18 +1916,19 @@
\subsubsection{Expand mode}
\index{sw\_expand}%
\begin{verbatim}
-MCat(0, .5)(<30,Ph,4:/COOH,3:/NH2)
+cv_at(0, .5)(<30,Ph,4:/COOH,3:/NH2)
sw_expand:=1;
-MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
+cv_at(1, .5)(<30,Ph,4:/COOH,3:/NH2)
** default: sw_expand=0
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch Expand",":<30,Ph,4:/COOH,3:/NH2")
+beginfigm
+ readm("<30,Ph,4:/COOH,3:/NH2")
fsize:=(60mm,20mm);
- MCat(0, .5)(scantokens(mc))
+ cv_at(0, .5)(scantokens(mc))
sw_expand:=1;
- MCat(1, .5)(scantokens(mc))
+ cv_at(1, .5)(scantokens(mc))
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1964,11 +1940,12 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch abbreviate group",":<30,Ph,4:/Cl,3:/F")
+beginfigm
+ readm("<30,Ph,4:/Cl,3:/F")
fsize:=(60mm,12mm);
- MCat(.15, .5)(scantokens(mc))
+ cv_at(.15, .5)(scantokens(mc))
sw_abbreviate:=Group;
- MCat(.85, .5)(scantokens(mc))
+ cv_at(.85, .5)(scantokens(mc))
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1980,11 +1957,12 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch abbreviate bondtype",":<30,Ph,4:/Cl,3:/F")
+beginfigm
+ readm("<30,Ph,4:/Cl,3:/F")
fsize:=(60mm,12mm);
- MCat(.15, .5)(scantokens(mc))
+ cv_at(.15, .5)(scantokens(mc))
sw_abbreviate:=Bond;
- MCat(.85, .5)(scantokens(mc))
+ cv_at(.85, .5)(scantokens(mc))
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -2003,11 +1981,11 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch font frame 1")
+beginfigm
fsize:=(30mm,10mm);
fmargin:=(5mm,1.5mm);
sw_frame:=Outside;
- MC(<30,Ph)
+ cv(<30,Ph)
endfigm
\end{mplibcode}
%------------------------------------------------------
@@ -2017,11 +1995,11 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch font frame 2")
+beginfigm
fsize:=(30mm,10mm);
fmargin:=(5mm,1.5mm);
sw_frame:=Inside;
- MC(<30,Ph)
+ cv(<30,Ph)
endfigm
\end{mplibcode}
%------------------------------------------------------
@@ -2031,11 +2009,11 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch font frame 3")
+beginfigm
fsize:=(30mm,10mm);
fmargin:=(5mm,1.5mm);
sw_frame:=Bothside;
- MC(<30,Ph)
+ cv(<30,Ph)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -2047,12 +2025,12 @@
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch molecular frame")
+beginfigm
sw_frame:=Outside;
fsize:=(40mm,11mm);
msize:=(1,1);
sw_frame:=sw_frame+Mol;
- MC(<30,Ph)
+ cv(<30,Ph)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -2062,33 +2040,33 @@
sw_frame=Atom
** default: sw_frame=0
-MC(<30,COOH,!,COOH)
+cv(<30,COOH,!,COOH)
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Switwch atom frame")
+beginfigm
fsize:=(60mm,10mm);
sw_frame:=sw_frame+Atom;
- MC(<30,COOH,!,COOH)
+ cv(<30,COOH,!,COOH)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Parameter setting}
\subsubsection{Local parameter setting}
-\index{beginfigm()}%
+\index{beginfigm}%
\index{endfigm}%
\begin{verbatim}
-beginfigm()
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
-beginfigm()
+beginfigm
%--------------------------
ratio_thickness_bond:=0.05;
%--------------------------
- MC(Ph)
+ cv(Ph)
endfigm
-beginfigm()
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
\end{verbatim}
%------------------------------------------------------
@@ -2095,31 +2073,31 @@
\quad
\begin{mplibcode}
fsize:=(15mm,12mm);
-beginfigm("EN:Local setting 1")
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
-beginfigm("EN:Local setting 2")
+beginfigm
ratio_thickness_bond:=0.05;
- MC(Ph)
+ cv(Ph)
endfigm
-beginfigm("EN:Local setting 3")
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Global parameter setting}
\begin{verbatim}
-beginfigm()
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
%--------------------------
ratio_thickness_bond:=0.05;
%--------------------------
-beginfigm()
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
-beginfigm()
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
\end{verbatim}
%----------------------------------------------------
@@ -2127,23 +2105,23 @@
\begin{mplibcode}
save_ratio:=ratio_thickness_bond;
fsize:=(15mm,12mm);
-beginfigm("EN:Global setting 1")
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
ratio_thickness_bond:=0.05;
-beginfigm("EN:Global setting 2")
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
-beginfigm("EN:Global setting 3")
- MC(Ph)
+beginfigm
+ cv(Ph)
endfigm
ratio_thickness_bond:=save_ratio;
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\section{Function}
+\section{Command}
%-----------------------------------------------------------------------------
-\subsection{Function MC()}
-\index{MC()}%
+\subsection{Command cv()}
+\index{cv()}%
\begin{verbatim}
(Draw molecule)
@@ -2155,28 +2133,28 @@
c: x axis position
d: y axis position
-beginfigm()
- MC(<30,Ph,3:/F,4:/Cl)
+beginfigm
+ cv(<30,Ph,3:/F,4:/Cl)
endfigm
\end{verbatim}
%------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:MC() ")
+beginfigm
fmargin:=(0.5mm,0.5mm);
fsize:=(40mm,15mm);
sw_frame:=Outside+Mol;
- MC(<30,Ph,4:/Cl,3:/F)
+ cv(<30,Ph,4:/Cl,3:/F)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsection{Function MCat()}
-\index{MCat()}%
+\subsection{Command cv\_at()}
+\index{cv\_at()}%
\begin{verbatim}
(Draw molecule at mposition)
-MCat(c,d)(....) :
+cv_at(c,d)(....) :
-mposition:=(c,d); MC(....)
+mposition:=(c,d); cv(....)
c: x axis position
d: y axis position
@@ -2187,7 +2165,7 @@
mangle:=0;
for i=1 step -0.5 until 0:
for j=0 step 0.33 until 1:
- MCat(j,i)(Ph,4:N)
+ cv_at(j,i)(Ph,4:N)
add(drawarrow((A1+A1up**aw)..A1);
label(decimal(mangle),
p0+(0.5w,0.5h));
@@ -2199,7 +2177,7 @@
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
-beginfigm("EN:MCat()")
+beginfigm
defaultscale:=0.6;
fsize:=(60mm,40mm);
fmargin:=(3mm,3mm);
@@ -2208,7 +2186,7 @@
mangle:=0;
for i=1 step -0.5 until 0:
for j=0 step 0.33 until 1:
- MCat(j,i)(Ph,4:N)
+ cv_at(j,i)(Ph,4:N)
add(
drawarrow((A1+A1up**aw)..A1);
label(decimal(mangle),p0+(0.5w,0.5h));
@@ -2219,22 +2197,22 @@
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsection{Function mc\_check()}
-\index{mc\_check()}%
+\subsection{Command checkm()}
+\index{checkm()}%
\begin{verbatim}
(immediately compile)
-beginfigm("EN:Pyridine")
- MC(<30,Ph,2:N)
+beginfigm
+ cv(<30,Ph,2:N)
endfigm
(check mcf and compile)
-** mc_check(mc) : error count
+** checkm(mc) : error count
-beginfigm("EN:Pyridine",
- ":<30,Ph,}2:N") % ** extra '}'
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+beginfigm
+ readm("<30,Ph,}2:N") % ** extra '}'
+ putm;
endfigm
\end{verbatim}
@@ -2241,24 +2219,22 @@
%-----------------------------------------------------
\quad
\begin{mplibcode}
-beginfigm("EN:Pyridine",":<30,Ph,2:N")
+beginfigm
+ readm("<30,Ph,2:N")
sw_trimming:=0;
fsize:=(12mm,12mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ putm;
endfigm
-beginfigm("EN:Pyridine",":<30,Ph,2):N")
+beginfigm
+ readm("<30,Ph,2):N")
sw_trimming:=0;
fsize:=(12mm,12mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ putm;
endfigm
\end{mplibcode}
-%-----------------------------------------------------
-\begin{verbatim}
-mc_check(mc)=0 mc_check(mc)>=1
-\end{verbatim}
%===============================================================================
\newpage
-\subsection{Function add()}
+\subsection{Command add()}
\index{add()}%
\index{plus}%
\index{minus}%
@@ -2337,12 +2313,12 @@
<< : rotated
a /* b : point b of a
-beginfigm("EN:add() 1")
+beginfigm
fsize:=(70mm,40mm);
sw_frame:=sw_frame+Atom+Mol;
max_blength:=10mm;
msize:=(.91,.9);
- MCat(.5,.85)(<30,?6,{2,5}:O)
+ cv_at(.5,.85)(<30,?6,{2,5}:O)
add(
defaultscale:=.8;
labeloffset:=.3aw;
@@ -2370,12 +2346,12 @@
\end{verbatim}
%------------------------------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:add() 1")
+beginfigm
fsize:=(70mm,40mm);
sw_frame:=sw_frame+Atom+Mol;
max_blength:=10mm;
msize:=(.91,.9);
- MCat(.5,.85)(<30,?6,{2,5}:O)
+ cv_at(.5,.85)(<30,?6,{2,5}:O)
add(
defaultscale:=.8;
labeloffset:=.3aw;
@@ -2403,11 +2379,11 @@
\end{mplibcode}
%------------------------------------------------------------------------------
\begin{verbatim}
-beginfigm("EN:add() 2")
+beginfigm
fsize:=(60mm,20mm);
msize:=(1,0.85);
%---------------------------------------
- MCat(0,0)(<30,Ph,3=dl,4:/NH2)
+ cv_at(0,0)(<30,Ph,3=dl,4:/NH2)
%---------------------------------------
add(
labeloffset:=.7aw;
@@ -2419,7 +2395,7 @@
B3m..A3+B2up**1.5aw..{A3down}A3;
)
%---------------------------------------
- MCat(1,0)(<30,?6,{1,5}=dl,4://NH2)
+ cv_at(1,0)(<30,?6,{1,5}=dl,4://NH2)
%---------------------------------------
add(
labeloffset:=.7aw;
@@ -2434,11 +2410,11 @@
\end{verbatim}
%-------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:add() 2")
+beginfigm
fsize:=(70mm,20mm);
msize:=(1,0.85);
%-------------------------------------------
- MCat(0,0)(<30,Ph,3=dl,4:/NH2)
+ cv_at(0,0)(<30,Ph,3=dl,4:/NH2)
%-------------------------------------------
add(labeloffset:=.7aw;
label.top(lonepair 90,A7);
@@ -2446,7 +2422,7 @@
drawarrow B3m..A3+B2up**1.5aw..{A3down}A3;
)
%-------------------------------------------
- MCat(1,0)(<30,?6,{1,5}=dl,4://NH2)
+ cv_at(1,0)(<30,?6,{1,5}=dl,4://NH2)
%-------------------------------------------
add(labeloffset:=.7aw;
label.top(plus,A7);
@@ -2458,7 +2434,7 @@
\end{mplibcode}
%-----------------------------------------------------------------------------
\newpage
-\subsection{Function ext()}
+\subsection{Command ext()}
\index{ext()}%
\index{w0}%
\index{h0}%
@@ -2486,11 +2462,11 @@
ratio_thickness_char:
pen thickness / char width
%----------------------------------------
-beginfigm()
+beginfigm
fsize:=(70mm,30mm;);
blength:=0.065;
%---------------------------------------
- MCat(0.1,0.5)(
+ cv_at(0.1,0.5)(
<-210,60`1,60`1,60`1,{1,3}=dl,
1:/R1,4:/R2^-60
)
@@ -2498,12 +2474,12 @@
defaultscale:=0.6;
label.bot("Diene",p0+(0.5w,0));
)
- MCat(0.4,0.5)(
+ cv_at(0.4,0.5)(
<-30,-60`1,1=dl,1:/R3,2:/R4^60)
add(defaultscale:=0.6;
label.bot("Dienophile",p0+(.5w,0));
)
- MCat(0.9,0.5)(
+ cv_at(0.9,0.5)(
<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1
)
%---------------------------------------
@@ -2520,11 +2496,11 @@
\end{verbatim}
%------------------------------------------------------------------------------
\begin{mplibcode}
-beginfigm()
+beginfigm
fsize:=(70mm,30mm);
blength:=0.065;
%---------------------------------------
- MCat(0.1,0.5)(
+ cv_at(0.1,0.5)(
<-210,60`1,60`1,60`1,{1,3}=dl,
1:/R1,4:/R2^-60
)
@@ -2532,12 +2508,12 @@
defaultscale:=0.6;
label.bot("Diene",p0+(0.5w,0));
)
- MCat(0.4,0.5)(
+ cv_at(0.4,0.5)(
<-30,-60`1,1=dl,1:/R3,2:/R4^60)
add(defaultscale:=0.6;
label.bot("Dienophile",p0+(.5w,0));
)
- MCat(0.9,0.5)(
+ cv_at(0.9,0.5)(
<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1
)
%---------------------------------------
@@ -2555,47 +2531,47 @@
%-----------------------------------------------------------------------------
\subsubsection{Local ext() setting}
\begin{verbatim}
-beginfigm("EN:?3")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(<30,?3)
+beginfigm
+ EN:="?3"; cv_at(0.5,1)(<30,?3)
endfigm
-beginfigm("EN:?4")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?4)
+beginfigm
+ EN:="?4"; cv_at(0.5,1)(?4)
%-------------------------------
- ext(label.top(inf_EN,(0.5w,0));)
+ ext(label.top(EN,(0.5w,0));)
%-------------------------------
endfigm
-beginfigm("EN:?5")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?5)
+beginfigm
+ EN:="?5"; cv_at(0.5,1)(?5)
endfigm
-beginfigm("EN:?5")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?6)
+beginfigm
+ EN:="?6"; cv_at(0.5,1)(?6)
endfigm
\end{verbatim}
%----------------------------------------------------
\quad
\begin{mplibcode}
-beginfigm("EN:?3")
+beginfigm
fsize:=(12mm,15mm);
- MCat(0.5,1)(<30,?3)
+ EN:="?3";
+ cv_at(0.5,1)(<30,?3)
endfigm
-beginfigm("EN:?4")
+beginfigm
fsize:=(12mm,15mm);
- MCat(0.5,1)(?4)
+ EN:="?4";
+ cv_at(0.5,1)(?4)
%-------------------------------
- ext(label.top(inf_EN,(0.5w,0));)
+ ext(label.top(EN,(0.5w,0));)
%-------------------------------
endfigm
-beginfigm("EN:?5")
+beginfigm
fsize:=(12mm,15mm);
- MCat(0.5,1)(?5)
+ EN:="?5";
+ cv_at(0.5,1)(?5)
endfigm
-beginfigm("EN:?5")
+beginfigm
fsize:=(12mm,15mm);
- MCat(0.5,1)(?6)
+ EN:="?6";
+ cv_at(0.5,1)(?6)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -2604,105 +2580,117 @@
\begin{verbatim}
ext_clear: reset global ext()
-beginfigm("EN:?3")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(<30,?3)
+beginfigm
+ EN:="?3"; cv_at(0.5,1)(<30,?3)
endfigm
%-------------------------------
-ext(label.top(inf_EN,(0.5w,0));)
+ext(label.top(EN,(0.5w,0));)
%-------------------------------
-beginfigm("EN:?4")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?4)
+beginfigm
+ EN:="?4"; cv_at(0.5,1)(?4)
endfigm
-beginfigm("EN:?5")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?5)
+beginfigm
+ EN:="?5"; cv_at(0.5,1)(?5)
endfigm
%---------
ext_clear;
%---------
-beginfigm("EN:?6")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?6)
+beginfigm
+ EN:="?6"; cv_at(0.5,1)(?6)
endfigm
\end{verbatim}
%-------------------------------------
\quad
\begin{mplibcode}
-beginfigm("EN:?3")
+beginfigm
fsize:=(12mm,15mm);
- MCat(0.5,1)(<30,?3)
+ EN:="?3";
+ cv_at(0.5,1)(<30,?3)
endfigm
%-------------------------------
-ext(label.top(inf_EN,(0.5w,0));)
+ext(label.top(EN,(0.5w,0));)
%-------------------------------
-beginfigm("EN:?4")
+beginfigm
fsize:=(12mm,15mm);
- MCat(0.5,1)(?4)
+ EN:="?4";
+ cv_at(0.5,1)(?4)
endfigm
-beginfigm("EN:?5")
+beginfigm
+ EN:="?5";
fsize:=(12mm,15mm);
- MCat(0.5,1)(?5)
+ cv_at(0.5,1)(?5)
endfigm
%---------
ext_clear;
%---------
-beginfigm("EN:?6")
+beginfigm
fsize:=(12mm,15mm);
- MCat(0.5,1)(?6)
+ EN:="?6";
+ cv_at(0.5,1)(?6)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
+\subsubsection{Command getm()}
+\index{getm()}%
+\begin{verbatim}
+loadm(): load library data
+
+getm(number): get data when no=number
+ * number=numeric
+getm("name"): get data when EN="name"
+ * "name"=string
+
+\end{verbatim}
+%-----------------------------------------------------------------------------
\newpage
%-----------------------------------------------------------------------------
\onecolumn
-\section{MCF example}
+\section{Example}
%-----------------------------------------------------------------------------
-\subsection{Luciferin}
-\index{mc\_check()}%
+\subsection{cv() example}
+\paragraph{(Luciferin)}
\begin{verbatim}
-(use library file 'mcf_library')
-beginfigm("f:mcf_library",
- "t:EN","v:Luciferin")
+beginfigm
fsize:=(50mm,15mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ cv(<30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH)
endfigm
\end{verbatim}
%-------------------------------------------
\begin{mplibcode}
-beginfigm("t:EN","v:Luciferin")
+loadm("EN<>*");
+beginfigm
fsize:=(50mm,15mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ cv(<30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsection{Colchicine}
+\subsection{readm() example}
+%-----------------------------------------------------------------------------
+\paragraph{(Colchicine)}
\begin{verbatim}
-beginfigm("EN:Colchicine","MW:385.41",
- %-------------------------------------
- ": <30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
- ": {-1,-4,-6}=dl,-2://O,-3:/O!, ",
- ": @9,\,NH,!,//O,! ")
- %-------------------------------------
+beginfigm
+ readm(
+ "<30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
+ " {-1,-4,-6}=dl,-2://O,-3:/O!, ",
+ " @9,\,NH,!,//O,! ")
fsize:=(50mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ putm;
endfigm
\end{verbatim}
%---------------------------------------
+% Colchicine MW:385.41
\begin{mplibcode}
-beginfigm("EN:Colchicine","MW:385.41",
- %-------------------------------------
- ": <30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
- ": {-1,-4,-6}=dl,-2://O,-3:/O!, ",
- ": @9,\,NH,!,//O,! ")
- %-------------------------------------
+beginfigm
+ readm(
+ "<30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
+ " {-1,-4,-6}=dl,-2://O,-3:/O!, ",
+ " @9,\,NH,!,//O,! ")
fsize:=(50mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ putm;
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsection{Maltose}
+\paragraph{(Maltose)}
\index{arc\_lb}
\index{arc\_br}
\begin{verbatim}
@@ -2710,122 +2698,138 @@
arc_lb : arc left > bottom
arc_br : arc bottom right
-beginfigm("EN:Maltose","MW:342.3",
- %-------------------------------------------------------
- ": #1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
- ": #.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
- ": @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, ",
- ": |,#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
- ": #.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ")
- %-------------------------------------------------------
+beginfigm
+ %"EN:Maltose","MW:342.3",
+ readm(
+ %----------------------------------------------------
+ "#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
+ "#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
+ "@4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, ",
+ "|,#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
+ "#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ")
+ %----------------------------------------------------
fsize:=(50mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ putm;
endfigm
\end{verbatim}
%-------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Maltose","MW:342.3",
+beginfigm
+ %"EN:Maltose","MW:342.3",
+ readm(
%-------------------------------------------------------
- ": #1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
- ": #.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
- ": @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, ",
- ": |,#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
- ": #.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ")
+ "#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
+ "#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
+ "@4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, ",
+ "|,#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
+ "#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ")
%-------------------------------------------------------
fsize:=(50mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ putm;
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newpage
-\subsection{Erythromycin}
+\paragraph{(Erythromycin)}
\noindent%
%----------------------------------------------------------------------------
+%%%% EN:Erythromycin MW:733.93
\begin{verbatim}
-beginfigm("EN:Erythromycin","MW:733.93")
+beginfigm
fsize:=(120mm,30mm);
- MC(<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',4,6^-35,8,10',12^35}:/*_,
- {6^35,11,12^-35}:*/OH,
- @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
- @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!
- )
+ readm(
+ %-----------------------------------------------------------------------
+ "<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',4,6^-35,8,10',12^35}:/*_, ",
+ " {6^35,11,12^-35}:*/OH, ",
+ " @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##, ",
+ " @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?! ")
+ %-----------------------------------------------------------------------
+ putm;
ext(defaultscale:=0.8;
- label.lrt("fm: "&cal_FM,(0,h-5mm));
- label.lrt("mw: "&cal_MW,(0,h-9mm));
- label.lrt("MW: "&inf_MW,(0,h-13mm));
+ label.lrt("fm: "&fm,(0,h-5mm));
+ label.lrt("mw: "&mw,(0,h-9mm));
+ label.lrt("MW: "&MW,(0,h-13mm));
)
endfigm;
\end{verbatim}
%----------------------------------------------------------------------------
+%%%% EN:Erythromycin MW:733.93
\begin{mplibcode}
-beginfigm("EN:Erythromycin","MW:733.93")
+beginfigm
fsize:=(120mm,30mm);
- MC(<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',4,6^-35,8,10',12^35}:/*_,
- {6^35,11,12^-35}:*/OH,
- @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
- @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!)
+ readm(
+ %-----------------------------------------------------------------------
+ "<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',4,6^-35,8,10',12^35}:/*_, ",
+ " {6^35,11,12^-35}:*/OH, ",
+ " @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##, ",
+ " @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?! ")
+ %-----------------------------------------------------------------------
+ putm;
ext(defaultscale:=0.8;
- label.lrt("fm: "&cal_FM,(0,h-5mm));
- label.lrt("mw: "&cal_MW,(0,h-9mm));
- label.lrt("MW: "&inf_MW,(0,h-13mm));)
+ label.lrt("fm: "&fm,(0,h-5mm));
+ label.lrt("mw: "&mw,(0,h-9mm));
+ label.lrt("MW: "&MW,(0,h-13mm));)
endfigm;
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\subsection{Paclitaxel}
+\paragraph{(Paclitaxel)}
\noindent%
\begin{verbatim}
-beginfigm("EN:Paclitaxel","MW:853.918",
- %---------------------------------------------------------------------
- ": ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
- ": 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr ")
- %---------------------------------------------------------------------
+beginfigm
+ % "EN:Paclitaxel","MW:853.918",
+ readm(
+ %------------------------------------------------------------------
+ "?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
+ " 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr ")
+ %------------------------------------------------------------------
fsize:=(140mm,30mm);
- if mc_check(mc)=0:
- MCat(0,0.5)(scantokens(mc))
+ if checkm(mc)=0:
+ cv_at(0,0.5)(scantokens(mc))
sw_numbering:=Atom;
- MCat(0.6,0.5)(scantokens(mc))
+ cv_at(0.6,0.5)(scantokens(mc))
sw_numbering:=Bond;
- MCat(1,0.5)(scantokens(mc))
+ cv_at(1,0.5)(scantokens(mc))
fi
endfigm
\end{verbatim}
%----------------------------------------------------------------------------
\begin{mplibcode}
-beginfigm("EN:Paclitaxel","MW:853.918",
- %---------------------------------------------------------------------
- ": ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
- ": 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr ")
- %---------------------------------------------------------------------
+beginfigm
+ % "EN:Paclitaxel","MW:853.918",
+ readm(
+ %-------------------------------------------------------------------
+ "?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
+ " 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr ")
+ %-------------------------------------------------------------------
fsize:=(160mm,40mm);
- if mc_check(mc)=0: MCat(0,0.5)(scantokens(mc))
- sw_numbering:=Atom; MCat(0.5,0.5)(scantokens(mc))
- sw_numbering:=Bond; MCat(1,0.5)(scantokens(mc))
+ if checkm(mc)=0: cv_at(0, 0.5)(scantokens(mc))
+ sw_numbering:=Atom; cv_at(0.5,0.5)(scantokens(mc))
+ sw_numbering:=Bond; cv_at(1, 0.5)(scantokens(mc))
fi
endfigm
\end{mplibcode}
%----------------------------------------------------------------------------
\newpage
-\subsection{Chlorophyll a}
+\subsection{getm() example}
+\paragraph{(Chlorophyll a)}
\noindent%
\begin{verbatim}
-beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-",
- "= sw_output:=Fig+Calc+Mcode;",
- "= fsize:=(100mm,30mm);")
- if op_row>=1: scantokens(op) fi
- if mc_check(mc)=0:
- MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
- fi
+beginfigm
+ getm("Chlorophyll a");
+ sw_output:=Fig+Calc+Mcode;
+ fsize:=(100mm,30mm);
+ cv(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
+ VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
endfigm
\end{mplibcode}
\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
@@ -2833,30 +2837,30 @@
\end{verbatim}
%------------------------------------------------------------------------------------
\begin{mplibcode}
-beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-",
- "= sw_output:=Fig+Calc+Mcode;",
- "= fsize:=(100mm,30mm);")
- if op_row>=1: scantokens(op) fi
- if mc_check(mc)=0:
- MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
- fi
+beginfigm
+ getm("Chlorophyll a");
+ sw_output:=Fig+Calc+Mcode;
+ fsize:=(100mm,30mm);
+ cv(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
+ VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
endfigm
\end{mplibcode}
\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\subsection{Dinophysistoxin-1}
+\paragraph{(Dinophysistoxin-1)}
\noindent%
\begin{verbatim}
-beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
- "MW:819",":,38:*/_,65=red") %%%% add methyl group (color red) %%%%
+beginfigm
+ getm("Okadaic acid");
+ readm(",38:*/_,65=red") %%%% add methyl group (color red) %%%%
sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
+ EN:="Dinophysistoxin-1"; MW:="819";
fsize:=(120mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ if checkm(mc)=0: cv(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
+ VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
fi
endfigm;
\end{mplibcode}
@@ -2865,13 +2869,15 @@
\end{verbatim}
%----------------------------------------------------------------------------
\begin{mplibcode}
-beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
- "MW:819",":,38:*/_,65=red") %%%% add methyl group (color red) %%%%
+beginfigm
+ getm("Okadaic acid");
+ readm(",38:*/_,65=red") %%%% add methyl group (color red) %%%%
sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
+ EN:="Dinophysistoxin-1"; MW:="819";
fsize:=(120mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ if checkm(mc)=0: cv(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
+ VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
fi
endfigm;
\end{mplibcode}
@@ -2880,20 +2886,21 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newpage
%----------------------------------------------------------------------------
-\subsection{Maitotoxin}
+\paragraph{(Maitotoxin)}
\noindent%
%--------------------------------------------------------------------------------
\begin{verbatim}
%--------------------------------------------------------------------------------
\begin{mplibcode}
- beginfigm("t:EN","v:Maitotoxin")
+ beginfigm
+ getm("Maitotoxin");
sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
fsize:=(150mm,80mm);
fmargin:=(3mm,3mm);
sw_frame:=Outside;
- if mc_check(mc)=0: MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ if checkm(mc)=0: cv(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
+ VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
fi
endfigm
\end{mplibcode}
@@ -2903,12 +2910,13 @@
\end{verbatim}
%--------------------------------------------------------------------------------
\begin{mplibcode}
- beginfigm("t:EN","v:Maitotoxin")
+ beginfigm
+ getm("Maitotoxin");
sw_output:=Fig+Calc+Mcode;
fsize:=(150mm,80mm); fmargin:=(3mm,3mm); sw_frame:=Outside; %% mc_length:=40;
- if mc_check(mc)=0: MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ if checkm(mc)=0: cv(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
+ VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
fi
endfigm
\end{mplibcode}
@@ -2917,34 +2925,37 @@
%--------------------------------------------------------------------------------
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newpage
-\subsection{TCA cycle}
+\subsection{cv\_at() example}
\noindent%
+(TCA cycle)\\
\begin{mplibcode}
-beginfigm("EN:TCA cycle")
+beginfigm
fsize:=(160mm,75mm);
max_blength:=5mm;
%--------------------------------------------------------------------------------
COOH:='(//O,!,OH);
HOCO:='(OH,!,//O,);
-MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
-MCat(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
-MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH) % cis-Aconitate
-MCat(1, 0.58)(<30,HOCO,!4,COOH, at -4,\`1,COOH,5:/OH) % Isocitrate
-MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH) % Oxalosuccinate
-MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
-MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
-MCat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
-MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
-MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
+cv_at(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
+cv_at(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
+cv_at(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH) % cis-Aconitate
+cv_at(1, 0.58)(<30,HOCO,!4,COOH, at -4,\`1,COOH,5:/OH) % Isocitrate
+cv_at(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH) % Oxalosuccinate
+cv_at(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
+cv_at(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
+cv_at(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
+cv_at(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
+cv_at(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
%--------------------------------------------------------------------------------
ext(
-defaultfont:="uhvr8r";
-defaultscale:=0.75;
+defaultfont:="uhvr8r"; defaultscale:=0.75;
ext_setup;
def sel_dir(expr rot)=
save tx; nA:=rot; if nA>=360: nA:=nA-360; fi
- if (nA<30)or(nA>330): def tx=top enddef; elseif (nA>=30)and(nA<=150): def tx=lft enddef;
- elseif (nA>150)and(nA<210): def tx=bot enddef; elseif (nA>=210)and(nA<=330): def tx=rt enddef; fi
+ if (nA<30)or(nA>330): def tx=top enddef;
+ elseif (nA>=30)and(nA<=150): def tx=lft enddef;
+ elseif (nA>150)and(nA<210): def tx=bot enddef;
+ elseif (nA>=210)and(nA<=330): def tx=rt enddef;
+ fi
enddef;
def reaction_arrow(expr a)(expr r)(expr p)(expr sa,la)(expr sb,lb)(expr sc,lc)(expr sd,ld)=
drawarrow ((0,0)..(a,0)) rotated r shifted p;
@@ -2986,23 +2997,22 @@
\end{mplibcode}
%------------------------------------------------------------------------
\begin{verbatim}
-beginfigmy"EN:TCA cycle")
+beginfigm
fsize:=(160mm,75mm);
max_blength:=5mm;
COOH:='(//O,!,OH); HOCO:='(OH,!,//O,);
-MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
-MCat(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
-MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH) % cis-Aconitate
-MCat(1, 0.58)(<30,HOCO,!4,COOH, at -4,\`1,COOH,5:/OH) % Isocitrate
-MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH) % Oxalosuccinate
-MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
-MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
-MCat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
-MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
-MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
+cv_at(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
+cv_at(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
+cv_at(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH) % cis-Aconitate
+cv_at(1, 0.58)(<30,HOCO,!4,COOH, at -4,\`1,COOH,5:/OH) % Isocitrate
+cv_at(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH) % Oxalosuccinate
+cv_at(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
+cv_at(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
+cv_at(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
+cv_at(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
+cv_at(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
ext(
-defaultfont:="uhvr8r";
-defaultscale:=0.75;
+defaultfont:="uhvr8r"; defaultscale:=0.75;
ext_setup;
save dx; pair dx; dx:=(12mm,0);
label.bot("Oxaloacetate",p1+dx); label.bot("Citrate",p2+dx);
@@ -3027,69 +3037,70 @@
)
endfigm
\end{verbatim}
-%------------------------------------------------------------------------
+%------------------------------------------------------------------------------
\section{Example to use mcf2graph}
\subsection{MetaPost souce file}
\index{mcf2graph.mp}%
\index{sw\_output}%
-\index{tag}%
-\index{var}%
+\index{loadm()}%
+\index{cv()}%
+\index{plus}%
+\index{getm()}%
+\index{putm}%
+\index{unitcount}%
\begin{verbatim}
-%-------------------------------------------------------------------------
+%------------------------------------------------------------------------------
input mcf2graph; > input main macro
-%-------------------------------------------------------------------------
-sw_output:=Info; % aux(information) file output on > global setting
+%------------------------------------------------------------------------------
+sw_output:=Info; % aux(information) file output on > global setting
%%%% sw_output:=Report; > report output
-%%%% sw_output:=MOL2k; > MOL file output
+%%%% sw_output:=MOL2000; > MOL file output
fsize:=(60mm,40mm); % (figure width,figure height) >
-tag1:="J"; > jobname
-tag2:="C"; > char No
-tag3:="mw"; % calculated molecular weight >
-tag4:="fm"; % calculated molecular formula >
outputformat:="png"; hppp:=vppp:=0.1; > PNG output
outputtemplate:="c%3c-%{EN_}.png"; >
-%-------------------------------------------------------------------------
-beginfigm("EN:Ampicillin","MW:349.405") > information
- MC(<45,?4,-3=?5,2:N,7:S, > immediately compile
+%------------------------------------------------------------------------------
+beginfigm
+ % EN:Ampicillin MW:349.405
+ cv(<45,?4,-3=?5,2:N,7:S, > immediately compile
3^45:/*H,1://O^15,5:/*COOH^-18,6:??, >
@4,*\^15,NH,!,//O,!,/*NH2,!,Ph) >
endfigm >
-%------------------------------------------------------------------------
-beginfigm("EN:Cholesterol","MW:386.65", >information
- %---------------------------------------- >
+%------------------------------------------------------------------------------
+beginfigm
+ % EN:Cholesterol MW:386.65
+ readm( > read Mcode
": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ", > mc1
": 10:/*H^180,11:/*H^-60,17:/*H^-54, ", > mc2
": {4,12}:*/_^60, ", > mc3
": @-1,18,/*_,-60,!3,?! ") > mc4
- %---------------------------------------- >
- if mc_check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
+ putm; > put figure
endfigm >
%------------------------------------------------------------------------------
-beginfigm("f:mcf_library.mcf","t:EN","v:Adenine") > from mcf_library.mcf
- if mc_check(mc)=0: MC(scantokens(mc)) fi > select EN="Adenine"
+loadm("EN<>*); > load all unit
+beginfigm
+ getm("Adenine"); > get EN=Adenine
+ putm; > ** put figure
endfigm >
%------------------------------------------------------------------------------
-beginfigm("t:EN","v:Guanine") > select EN="Guanine"
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%------------------------------------------------------------------------------
-beginfigm("t:EN","v:Cytosine") > select EN="Cytosine"
- if mc_check(mc)=0: MC(scantokens(mc)) fi >
+beginfigm
+ getm(4); > select No.4
+ putm; > put figure
endfigm >
%------------------------------------------------------------------------------
-beginfigm("t:n","v+:4") > v+:4 = select No.4
- if mc_check(mc)=0: MC(scantokens(mc)) fi > keep file open
-endfigm >
-%------------------------------------------------------------------------------
-forever:
-%%%%%%%%%% beginfigm("f:mcf_library","v+:*") > select all
- beginfigm("f:mcf_library","t:EXA","v+:1") > 'v+:1'= select EXA=1
- if f_EOF=0: if mc_check(mc)=0: MC(scantokens(mc)) fi fi > keep file open
- endfigm >
- exitif f_EOF=1; > exit if file end
+for i=1 upto unitcount: > unit count
+ beginfigm
+ getm(i); > select No.i
+ putm; > put figure
+ endfigm
endfor
%------------------------------------------------------------------------------
bye
+
+** putm:
+ if op_row>=1: scantokens(op) fi
+ if mc_row>=1: if checkm(mc)=0: cv(scantokens(mc)) fi fi
+ if ad_row>=1: add(scantokens(ad)) fi
+ if ex_row>=1: ext(scantokens(ex)) fi
\end{verbatim}
%------------------------------------------------------------------------
\noindent%
@@ -3097,7 +3108,7 @@
\subsection{Molecular library file}
\begin{verbatim}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file mcf_library.mcf by Akira Yamaji 2022.10.10
+% molecular library file main_lib.mcf by Akira Yamaji 2022.10.10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
@@ -3106,9 +3117,9 @@
% first character of line "=" start parameter setting
% first character of line "*" start ext(...)
% first character of line "+" start add(...)
-% Cat = Category,EN = Name,MW = Molecular weight
+% CAT = Category,EN = Name,MW = Molecular weight
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-Cat:Category;EN:Example;MW:100.00;EXA:%
+CAT:-;EN:-;MW:0;EXA:-
=
sw_frame:=Atom;
:
@@ -3115,7 +3126,7 @@
<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
*
defaultscale:=.5;
- label.bot(decimal(fig_num)&":"&inf_EN,(.5w,0));
+ label.bot(decimal(fig_num)&":"&EN,(.5w,0));
+
defaultscale:=.3;
label.bot("A2",A2) withcolor red;
@@ -3123,32 +3134,32 @@
label.top("A9",A9) withcolor red;
;
%==============================================================================
-Cat:biological;EN:Adenine;MW:135.13;EXA:1
+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
;
%------------------------------------------------------------------------------
-Cat:biological;EN:Guanine;MW:151.13;EXA:1
+CAT:biological;EN:Guanine;MW:151.13;EXA:1
:
<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2
;
%------------------------------------------------------------------------------
-Cat:biological;EN:Cytosine;MW:111.10;EXA:1
+CAT:biological;EN:Cytosine;MW:111.10;EXA:1
:
<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
;
%------------------------------------------------------------------------------
-Cat:biological;EN:Thymine;MW:126.11;EXA:1
+CAT:biological;EN:Thymine;MW:126.11;EXA:1
:
<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
;
%------------------------------------------------------------------------------
-Cat:biological;EN:Uracil;MW:112.09;EXA:1
+CAT:biological;EN:Uracil;MW:112.09;EXA:1
:
<30,?6,6=dl,{3,5}://O,{2,4}:NH
;
%== Amino acid ================================================================
-Cat:biological;EN:Glycine;MW:75.07;EXA:-
+CAT:biological;EN:Glycine;MW:75.07;EXA:-
:
<30,NH2,!2,COOH
;
@@ -3157,143 +3168,69 @@
%------------------------------------------------------------------------------
\noindent%
\newpage
-\subsection{Function mc\_query()}
-\index{mc\_query()}%
+\subsection{Command loadm()}
+\index{sw\_comment}%
\paragraph{(Example)}
\begin{verbatim}
-%--------------------------------------------------------------
-% mc_query()
-%
-% "f:filename" : input file name (default "mcf_library.mcf")
-% "o:filename" : output file name (default "temp.mcf")
-%
-% "a:sort-key" : sort by sort-key ascending
-% "d:sort-key" : sort by sort-key descending
-%
-% operator : = , <> , <= , >= , < , >
-%
-% filter 1 : Cat=biological
-% filter 2 : MW>=285
-% filter 3 : MW<=295
-%
-%--------------------------------------------------------------
-mc_query("Cat=biological","MW>=285","MW<=290","a:EN");
-%--------------------------------------------------------------
+loadm("CAT=biological","MW>=285","MW<=288","a:EN");
\end{verbatim}
%---------------------------------------------------------------
\paragraph{(output)}
\begin{verbatim}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Input : mcf_library.mcf [506]
-% Output : temp.mcf [5]
-% Filter(1): Cat =biological
-% Filter(2): MW >= 285
-% Filter(3): MW <= 290
-% Sort key : EN (ascending)
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-Cat:biological;EN:Atoropin;MW:289.375;EXA:1
-:
-<30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1, at 6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv
-;
-Cat:biological;EN:Luteolin;MW:286.24;EXA:-
-:
-<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14,15}:/OH
-;
-Cat:biological;EN:Lycorine;MW:287.315;EXA:1
-:
-<30,Ph,{-4,-2}=?6,{6,(9,12)}=?5,13=dl,8:N,{15,17}:O,
- {9'^180,10^60}:*/H,{13,14'}:*/OH
-;
-Cat:biological;EN:Morphine;MW:285.343;EXA:1
-:
-<30,Ph,{2,-4}=?6,(1,12)=?5[2],-1:O,-1=zb,
- @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH
-;
-Cat:biological;EN:Piperine;MW:285.343;EXA:1
-:
-<30,Ph,-1=?5,{-1,-3}:O, at 4,\,!!,!,!!,!,//O,!,?6,-6:N
-;
+* jobname=mcf_exa_soc
+* numbersystem=double
+* output report file
+* file name=mcf_exa_soc-report.txt)
+* mcf_template 2023.05.07
+* Input : main_lib.mcf [525]
+* Output : unitcount [4]
+* Filter(1): CAT =biological
+* Filter(2): MW >= 285
+* Filter(3): MW <= 288
+* Sort key : EN (ascending)
+[1]:Luteolin
+[2]:Lycorine
+[3]:Morphine
+[4]:Piperine )
+
+row[1][1]="CAT:biological;EN:Luteolin;MW:286.24;EXA:-"
+row[1][2]=":"
+row[1][3]="<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14,15}:/OH"
+row[1][4]=";"
+row[2][1]="CAT:biological;EN:Lycorine;MW:287.315;EXA:1"
+row[2][2]=":"
+row[2][3]="<30,Ph,{-4,-2}=?6,{6,9--12}=?5,13=dl,8:N,{15,17}:O,"
+row[2][4]="{9'^180,10^60}:*/H,{13,14'}:*/OH"
+row[2][5]=";"
+row[3][1]="CAT:biological;EN:Morphine;MW:285.343;EXA:1"
+row[3][2]=":"
+row[3][3]="<30,Ph,{2,-4}=?6,1---12=?5,-1:O,-1=zb,"
+row[3][4]="@7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH"
+row[3][5]=";"
+row[4][1]CAT:biological;EN:Piperine;MW:285.343;EXA:1
+row[4][2]:
+row[4][3]<30,Ph,-1=?5,{-1,-3}:O, at 4,\,!!,!,!!,!,//O,!,?6,-6:N
+row[4][4];
\end{verbatim}
%------------------------------------------------------------------------------
-\noindent%
-\newpage
-\subsection{Information aux file output}
-\paragraph{(Option parameter setting)}
-\index{J}%
-\index{C}%
-\index{NO}%
-\index{MW}%
-\index{MI}%
-\index{EN}%
-\index{JN}%
-\index{FM}%
-\index{USE}%
-\index{mw}%
-\index{fm}%
-\index{mi}%
-\index{w}%
-\index{h}%
-\index{Info}%
-\index{Table}%
-\index{Temp}%
+\paragraph{(sw\_comment)}
\begin{verbatim}
- sw_output:=Info; %% tag1:var1;tag2:var2
- sw_output:=Info+Table; %% tag1;tag2 var1;var2
-\end{verbatim}
-\paragraph{(Command line)}
-\begin{verbatim}
- >mpost -s ahlength=1 FILENAME (sw_output=Info)
- >mpost -s ahlength=2 FILENAME (sw_output=Info+Table)
-\end{verbatim}
-\paragraph{(Sourse)}
-\begin{verbatim}
-beginfigm("EN:Ampicillin") .... endfigm
-beginfigm("EN:Cholesterol") .... endfigm
-beginfigm("EN:Limonin") .... endfigm
-beginfigm("EN:beta-Carotene") .... endfigm
-\end{verbatim}
-\paragraph{(Setting)}
-\begin{verbatim}
-tag1:="J"; tag2:="C"; tag3:="mw"; tag4:="fm"; tag5:="EN";
-\end{verbatim}
-\paragraph{(Output)}
-\index{aux\_delimiter}%
-\begin{verbatim}
-(sw_output=Info)
-F:mcf_man_soc;C:1;mw:349.40462;fm:C16H19N3O4S;EN:Ampicillin
-F:mcf_man_soc;C:2;mw:386.6532;fm:C27H46O;EN:Cholesterol
-F:mcf_exa_soc;C:3;mw:470.5113;fm:C26H30O8;EN:Limonin
-F:mcf_exa_soc;C:4;mw:536.8722;fm:C40H56;EN:beta-Carotene
+sw_comment=1:
-(sw_output=Info+Table)
-F;C;mw;fm
-mcf_man_soc;1;349.40462;C16H19N3O4S;Ampicillin
-mcf_man_soc;2;386.6532;C27H46O;Cholesterol
-mcf_exa_soc;3;470.5113;C26H30O8;Limonin
-mcf_exa_soc;4;536.8722;C40H56;beta-Carotene
+row[1][1]="%------------------------------------------------------------------"
+row[1][2]="CAT:biological;EN:Luteolin;MW:286.24;EXA:-"
+row[1][3]=":"
+row[1][4]="<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14,15}:/OH"
+row[1][5]=";"
-(aux_delimiter="/")
-F:mcf_man_soc/C:1/mw:349.40462/fm:C16H19N3O4S/EN:Ampicillin
-F:mcf_man_soc/C:2/mw:386.6532/fm:C27H46O/EN:Cholesterol
-F:mcf_exa_soc/C:3/mw:470.5113/fm:C26H30O8/EN:Limonin
-F:mcf_exa_soc/C:4/mw:536.8722/fm:C40H56/EN:beta-Carotene
+** default sw_comment=0
\end{verbatim}
\paragraph{(Tag)}
\begin{verbatim}
-J : jobname
-C : char number
-NO : serial number
-EN : english name
-JN : japanese name
-FM : formula from literature data
-MW : molecular weight from literature data
-MI : monoisotopic mass from literature data
-USE : the use
-mw : molecular weight calculated
-mi : monoisotopic mass calculated
-fm : molecular formula calculated
-w : figure width
-h : figure height
+J : jobname CAT : category
+EN : english name JN : japanese name
+FM : formula from data MW : molecular weight from data
+MI : monoisotopic mass from data USE : the use
\end{verbatim}
%------------------------------------------------------------------------
\noindent%
@@ -3301,7 +3238,6 @@
\subsection{MCF aux file output}
\paragraph{(Option parameter setting)}
\index{Mcode}%
-\index{Temp}%
\begin{verbatim}
sw_output:=Mcode; %% output 'temp-mc.aux'
\end{verbatim}
@@ -3322,10 +3258,10 @@
sw_output=Info+Mcode %% file name = 'jobname-lib.aux'
(result)
-Cat:biological;EN:Adenine;MW:135.13;EXA:1
-+
+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
-+--------------------------------------------------
+;
\end{verbatim}
%------------------------------------------------------------------------
@@ -3333,8 +3269,9 @@
%-----------------------------------------------------------------------
\begin{verbatim}
%-----------------------------------------------------------------------
+%% "EN:Vancomycin
\begin{mplibcode}
- beginfigm("t:EN","v:Vancomycin")
+ beginfigm
sw_output:=Mcode; %%%% output temp-mc.aux %%%%
endfigm;
\end{mplibcode}
@@ -3369,7 +3306,7 @@
\paragraph{(Output)}
\begin{verbatim}
===========================================================================
- No[3],Name<Cytosine>,Category<biological>,File<mcf_library.mcf>
+ No[3],Name<Cytosine>,Category<biological>,File<main_lib.mcf>
---------------------------------------------------------------------------
<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
---------------------------------------------------------------------------
@@ -3412,7 +3349,7 @@
Molecular Weight [Mono Isotopic] = 111.1019[ 111.04326]
---------------------------------------------------------------------------
Weight Calc: 111.1019 / Input: 111.10 / weight gap= 0.00195
- Fomula Calc: C4H5N3O / Input:
+ Fomula Calc: C4H5N3O
===========================================================================
\end{verbatim}
\newpage
@@ -3421,11 +3358,11 @@
\subsection{MOL file output}
\paragraph{(Option parameter setting)}
\index{sw\_output}%
-\index{MOL2k}%
-\index{MOL3k}%
+\index{MOL2000}%
+\index{MOL3000}%
\begin{verbatim}
- sw_output:=MOL2k; % MOL(V2000)
- sw_output:=MOL3k; % MOL(V3000)
+ sw_output:=MOL2000; % MOL(V2000)
+ sw_output:=MOL3000; % MOL(V3000)
\end{verbatim}
\paragraph{(Command line)}
\begin{verbatim}
@@ -3484,55 +3421,51 @@
\mplibverbatim{enable}%
\mplibnumbersystem{double}%
\begin{mplibcode}
- input mcf2graph;
- sw_output:=Fig; max_blength:=4.5mm;
- defaultfont:="uhvr8r"; defaultsize:=8bp; defaultscale:=1;
\end{mplibcode}
\begin{document}
\noindent%
%--------------------------------------------------------------------
\begin{mplibcode}
+ input mcf2graph;
+ sw_output:=Fig;
+ max_blength:=4.5mm;
+ defaultfont:="uhvr8r";
+ defaultsize:=8bp;
+ defaultscale:=1;
+ %--------------------------------------------------------
fsize:=(50mm,50mm);
- beginfigm("NO:1","EN:Limonin","MW:470.51",
- %----------------------------------------
- ": <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 ")
- %----------------------------------------
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ EN:="Limonin";
+ MW="470.51";
+ beginfigm
+ readm(
+ %---------------------------------------
+ "<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 ")
+ %---------------------------------------
+ putm;
endfigm
\end{mplibcode}\\
%--------------------------------------------------------------------
\begin{mplibcode}
fsize:=(80mm,50mm);
- beginfigm("NO:2","EN:beta-carotene","MW:536.87",
- %------------------------------------------
- ": <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=dl,{6,2^35,2^-35}:/_ ")
- %------------------------------------------
- if mc_check(mc)=0: MC(scantokens(mc)) fi
+ EN:="beta-carotene";
+ MW:="536.87";
+ beginfigm
+ readm(
+ %-----------------------------------------
+ "<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=dl,{6,2^35,2^-35}:/_ ")
+ %-----------------------------------------
+ putm;
endfigm
\end{mplibcode}\\
%--------------------------------------------------------------------
-\begin{mplibcode}
- fsize:=(50mm,50mm);
- beginfigm("NO:3","EN:Gibberellin A3","MW:346.37",
- %------------------------------------
- ": <18,?5,3=?7,5=?6[12], ",
- ": @8,160`1.3,&3,13=dl,6=wf,8=wb, ",
- ": @5,40~zf`1,O,60,//O^180,&14~zb, ",
- ": 2:/COOH,7://_,13:*/OH,8:/*OH, ",
- ": 14:*/_,{1^60,4^60}:*/H ")
- %------------------------------------
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm;
-%--------------------------------------------------------------------
-\end{mplibcode}\\
\end{document}
\end{verbatim}
%############################################################################
Added: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_to_graph.cmd
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_to_graph.cmd (rev 0)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_to_graph.cmd 2023-05-07 19:25:26 UTC (rev 67042)
@@ -0,0 +1,27 @@
+rem Batch file for compile MCF 2023.05.07
+rem rename filename by purpose
+rem <drag and drop library files on this batch>
+
+ at echo off
+for %%f in (%*) do (
+ mkdir %%~nf
+ copy %%f temp.mcf
+
+ rem *** mcf_to_svg create svg in ./filename (default)
+ mpost -output-directory=./%%~nf template_soc.mp
+
+ rem *** mcf_to_png create png in ./filename
+ rem mpost -output-directory=./%%~nf -s ahangle=1 template_soc.mp
+
+ rem *** mcf_to_mol2k create MOL(V2000) in ./filename
+ rem mpost -output-directory=./%%~nf -s ahlength=5 template_soc.mp
+
+ rem *** mcf_to_mol3k create MOL(V3000) in ./filename
+ rem mpost -output-directory=./%%~nf -s ahlength=6 template_soc.mp
+
+ rem *** mcf_to_report create report
+ rem mpost -numbersystem=double -s ahlength=7 template_soc.mp
+
+ del temp.mcf
+ )
+
\ No newline at end of file
Property changes on: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_to_graph.cmd
___________________________________________________________________
Added: svn:eol-style
## -0,0 +1 ##
+native
\ No newline at end of property
Added: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf (rev 0)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf 2023-05-07 19:25:26 UTC (rev 67042)
@@ -0,0 +1,81 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% mcf template file mcf_template.mcf by Akira Yamaji 2023.05.07
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% tag1:var1;tag2:var2;tag3:var3 .....
+% first character of line "%" comment out
+% first character of line ":" start MCF
+% first character of line "=" start parameter setting
+% first character of line "*" start ext(...)
+% first character of line "+" start add(...)
+% first character of line ";" end of unit
+% Cat = Category,EN = Name,MW = Molecular weight
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+Cat:biological;EN:Paclitaxel;MW:853.918;EXA:1
+%-------------------------------------------------------------------
+= %%%%%% start parameter setting %%%%%%
+ sw_output:=Fig+Calc;
+ sw_frame:=Outside;
+ fsize:=(50mm,30mm);
+ fmargin:=(2mm,2mm);
+ mposition:=(1,0);
+%-------------------------------------------------------------------
+: %%%%%%% start MCF %%%%%%
+ ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
+ 4:??,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>rl,12'^-15>lr}:*/OCO!
+%-------------------------------------------------------------------
+* %%%%%% start ext(...) %%%%%%
+ defaultscale:=0.5;
+ label.lrt("EN:"&EN,(0,h));
+ label.lrt("fm:"&fm,(0,h-em));
+ label.lrt("mw:"&mw,(0,h-2em));
+ label.lrt("MW:"&MW,(0,h-3em));
+; %% end of unit
+%==============================================================================
+Cat:biological;EN:Erythromycin;MW:733.93
+%-------------------------------------------------------------------
+= %%%%%% start parameter setting %%%%%%
+ sw_output:=Fig+Calc;
+ sw_frame:=Outside;
+ fsize:=(50mm,30mm);
+ fmargin:=(2mm,2mm);
+ mposition:=(1,0);
+%-------------------------------------------------------------------
+: %%%%%%% start 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',4,6^-35,8,10',12^35}:/*_,
+ {6^35,11,12^-35}:*/OH,
+ @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
+ @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!
+%-------------------------------------------------------------------
+* %%%%%% start ext(...) %%%%%%
+ defaultscale:=0.5;
+ label.lrt("EN: "&EN,(0,h));
+ label.lrt("fm:"&fm,(0,h-em));
+ label.lrt("mw:"&mw,(0,h-2em));
+ label.lrt("MW:"&MW,(0,h-3em));
+; %% end of unit
+%==============================================================================
+EN:chain strech direction
+= %%%%%% start parameter setting %%%%%%
+ fsize:=(40mm,30mm);
+ fmargin:=(2mm,2mm);
+ sw_frame:=Outside;
+ ratio_chain_ring:=1;
+%-------------------------------------------------------------------
+: %%%%%%% start MCF %%%%%%
+ ?4,{3^-90,3^-30,3^90}:/!3>hz,{1^-60,1,1^60}:/!3>vt
+%-------------------------------------------------------------------
++ %%%%%% start add(...) %%%%%%
+ defaultscale:=0.5;
+ labeloffset:=2bp;
+ label.rt(">hz", A8);
+ label.top(">hz",A12);
+ label.top(">hz",A16);
+ label.rt(">vt", A20);
+ label.top(">vt",A24);
+ label.rt(">vt", A28);
+; %% end of unit
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Added: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp (rev 0)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp 2023-05-07 19:25:26 UTC (rev 67042)
@@ -0,0 +1,25 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% MCF compile template file by Akira Yamaji 2023.05.07
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.00
+message "* mcf_template 2023.05.07";
+message "";
+%------------------------------------------------------------------------------
+%%%%ext(defaultscale:=.3; label.rt(EN,(0,0));)
+%------------------------------------------------------------------------------
+%%%%ext(defaultfont:=mpfont; defaultscale:=.3;
+%%%%label.rt(EN&" / "&mw&" / "&decimal(num_MW-scantokens(MW)),(0,0));)
+%------------------------------------------------------------------------------
+sw_output:=Fig+Calc;
+%------------------------------------------------------------------------------
+loadm("f:temp");
+%------------------------------------------------------------------------------
+for i=1 upto unitcount:
+ beginfigm
+ getm(i);
+ putm;
+ endfigm
+endfor
+%******************************************************************************
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+bye
Property changes on: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
___________________________________________________________________
Added: svn:eol-style
## -0,0 +1 ##
+native
\ No newline at end of property
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