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-rw-r--r--graphics/mcf2graph/mcf_library.mcf12
1 files changed, 6 insertions, 6 deletions
diff --git a/graphics/mcf2graph/mcf_library.mcf b/graphics/mcf2graph/mcf_library.mcf
index 3235ad1292..bf01583d62 100644
--- a/graphics/mcf2graph/mcf_library.mcf
+++ b/graphics/mcf2graph/mcf_library.mcf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file mcf_library.mcf by Akira Yamaji 2022.11.06
+% molecular library file mcf_library.mcf by Akira Yamaji 2022.11.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
@@ -706,7 +706,7 @@ Cat:biological;EN:Sesamine;MW:354.35;EXA:1
%------------------------------------------------------------------------------
Cat:biological;EN:Morphine;MW:285.343;EXA:1
:
-<30,Ph,{2,-4}=?6,{1---12}=?5,-1:O,-1=zb,
+<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
;
%------------------------------------------------------------------------------
@@ -881,7 +881,7 @@ Cat:synthetic;EN:Chrysene;MW:228.3;EXA:-
%------------------------------------------------------------------------------
Cat:synthetic;EN:Pyrene;MW:202.25;EXA:-
:
-<30,Ph2,{6,4}=Ph,{16---7}=?6,-2=dl
+<30,Ph2,{6,4}=Ph,16---7=?6,-2=dl
;
%------------------------------------------------------------------------------
Cat:synthetic;EN:Coronene;MW:300.35;EXA:1
@@ -1180,7 +1180,7 @@ 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,@-2,?6,-6=wf,-1=zb,-5=dl,
+ {-1,-3,-7}=dl,-11--(-10)=?6,@-2,?6,-6=wf,-1=zb,-5=dl,
{-1,-6}:O,-3:*/_,@-2,\,*/_,!2,
17:/_,19:/*_,@18,\,O,!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##,
@-3,\,O,60,?6`.7,-5:O,#.5,-4:*/_,-3:/*NH!,-2:*/O!
@@ -1198,7 +1198,7 @@ Cat:antibiotics;EN:Spinosad;MW:731.968;EXA:2
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,
+ 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:/*_
@@ -1880,7 +1880,7 @@ Cat:pesticide;EN:Pyrimethanil;MW:199.257;EXA:-
%------------------------------------------------------------------------------
Cat:pesticide;EN:Pyroquilon;MW:173.2;EXA:-
:
-<30,Ph,3=?6,10:N,9://O,{11_4}=?5
+<30,Ph,3=?6,10:N,9://O,11--4=?5
;
%------------------------------------------------------------------------------
Cat:pesticide;EN:Vinclozolin;MW:286.108;EXA:-