Thank you very much for that very clear tip, John. Thinking *chemically*
was the key to understanding this logic. atomic masses are subtleties that
should not radically change the picture. Jmol is applying Rules 1 and 2
correctly now based on the suite of structures Mikko gave me. (See
https://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol-datafiles/cip/)
$ load "$CC[C@@](CO)([H])[14CH2]C"
$ print {chirality != ""}.label("%i%[chirality]").join(" ");
3S
$ load
"cip/S/1-(bicyclo[2.2.2]octan-1-yl)-1-[1,5-dicyclopropyl-3(2-cyclopropylethyl)-pentan-3-yl]methan-1-ol-new.mol"
$ print {chirality != ""}.label("%i%[chirality]").join(" ");
7S
$ load "cip/RS/(1S,5R)-bicyclo[3.1.0]hex-2-ene_2D.mol" filter "2D"
$ print {*}.find("SMILES")
$ print {chirality != ""}.label("%i%[chirality]").join(" ");
[C@@H]12[C@H]3C1.C2=CC3
1S 5R
$ load "cip/RS/(1S,5R)-bicyclo[3.1.0]hex-2-ene_2D.mol" filter "2D"
$ @1.element = "13C"
$ print {*}.find("SMILES")
$ print {chirality != ""}.label("%i%[chirality]").join(" ");
[13C@@H]12C3C1.C2=CC3
1S 5R
:)
Time to work on Rule 3....
​Bob
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