summaryrefslogtreecommitdiff
path: root/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
diff options
context:
space:
mode:
Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf16
1 files changed, 8 insertions, 8 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
index 2fd8222db10..bdc74d444bd 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.12.12
+% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.12.20
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
@@ -440,8 +440,8 @@ Cat:biological;EN:Febrifugine;MW:301.34;EXA:1
+------------------------------------------------------------------------------
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,
+<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
@@ -481,7 +481,7 @@ Cat:biological;EN:Reserpine;MW:608.688;EXA:1
+------------------------------------------------------------------------------
Cat:biological;EN:Rotenone;MW:394.423;EXA:1
+
-<-60,?5,{-3,-2,-3,-4}=?6,{3<,7,9,17<,-2,-4}=dl,
+<-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!,@1,*\,/_,!!
+------------------------------------------------------------------------------
Cat:biological;EN:Pyrethrin I;MW:328.452;EXA:1
@@ -608,13 +608,13 @@ Cat:synthetic;EN:Pyrene;MW:202.25;EXA:-
+------------------------------------------------------------------------------
Cat:synthetic;EN:Coronene;MW:300.35;EXA:1
+
-<30,Ph,{1,(11,2),(15,3),(19,4),(23,5),(27<,7)}=?6,
+<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
+<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:-
@@ -1673,7 +1673,7 @@ Cat:pesticide;EN:Uniconazole-P;MW:291.779;EXA:-
%******************************************************************************
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
+<-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:-
+