1 files changed, 15 insertions, 9 deletions
diff --git a/graphics/mcf2graph/mcf_data_base.mcf b/graphics/mcf2graph/mcf_data_base.mcf
index cdcc642523..2fd8222db1 100644
--- a/graphics/mcf2graph/mcf_data_base.mcf
+++ b/graphics/mcf2graph/mcf_data_base.mcf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file    mcf_data_base.mcf   by Akira Yamaji   2021.11.23
+% molecular data base file    mcf_data_base.mcf   by Akira Yamaji   2021.12.12
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %  tag1:var1;tag2:var2;tag3:var3 .....
 %  first character of line "%" comment out
@@ -440,9 +440,9 @@ Cat:biological;EN:Febrifugine;MW:301.34;EXA:1
 +------------------------------------------------------------------------------
 Cat:biological;EN:Hypericin;MW:504.44;EXA:1
 +
-<30,Ph,{-4,(11,4),(10,12),(9,-4),(19,13),(27,14),(18,24)}=?6,
- {12,20,22,29,31,33,35}=dl,{16,18,27}=dr,
- {7,21}://O,{2,6,17,23,25,28}:/OH,{19,26}:/_
+<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,{7,9,-2,-4}=dl,{3,17}=dr,            
+<-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
@@ -525,7 +525,7 @@ Cat:biological;EN:Atoropin;MW:289.375;EXA:1
 +------------------------------------------------------------------------------
 Cat:biological;EN:Colchicine;MW:399.443;EXA:1
 +
-<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!
+<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
 +
@@ -581,6 +581,7 @@ 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
@@ -605,10 +606,15 @@ Cat:synthetic;EN:Pyrene;MW:202.25;EXA:-
 +
 <30,Ph2,{6,4}=Ph,(16,7)=?6[3],-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,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6,
- {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=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:-
@@ -2039,7 +2045,7 @@ Cat:antibacterial;EN:Difloxacin;MW:399.398;EXA:1
 <30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,|,?6,{1,4}:N,4:/_,
  ||,@7,\,Ph,-3:/F
 +------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:1
+Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:-
 +
 <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,3:/O!
 +------------------------------------------------------------------------------