diff options
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.mcf | 16 |
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:- + |