% '21-deoxycortisol'


config('21-deoxycortisol',[
        model('17-alpha-hydroxyprogesterone',[
                diff(methandiyl(11),car(11,hyd&&hydroxyl))])]).

%%%% Model/Diff Config Rules for compound '21-deoxycortisol' %%%%

config('17-alpha-hydroxyprogesterone',[
        model(testosterone,[
                diff(car(17,hyd&&hydroxyl),car(17,hydroxyl&& (keto(20,methyl)~)))])]).

%%%% Model/Diff Config Rules for compound '17-alpha-hydroxyprogesterone' %%%%

config(testosterone,[
        model(perhydrocyclopentanophenanthrene,[
                diff(methandiyl(3),keto(3)),
                diff(methandiyl(4),car(4,hyd)),
                diff(car(5,hyd),car(5)~~),
                diff(methandiyl(17),car(17,hyd&&hydroxyl))])]).

%%%% Model/Diff Config Rules for compound testosterone %%%%

config(perhydrocyclopentanophenanthrene,[
        ring_system([
                ring([
                        car(10,methyl(19)),
                        car(5,hyd),
                        methandiyl(4),
                        methandiyl(3),
                        methandiyl(2),
                        methandiyl(1)]),
                ring([
                        (car(10),left)~,
                        (car(5),up)~,
                        (methandiyl(6),right)~,
                        (methandiyl(7),right)~,
                        (car(8,hyd),right)~,
                        (car(9,hyd),up)~]),
                ring([
                        (car(8),right)~,
                        (car(9),down)~,
                        (methandiyl(11),left)~,
                        (methandiyl(12),left)~,
                        (car(13,methyl(18)),left)~,
                        (car(14,hyd),up)~]),
                ring([
                        (car(13),left)~,
                        (car(14),down)~,
                        (methandiyl(15),right)~,
                        (methandiyl(16),right)~,
                        (methandiyl(17),up)~])],
                conjugate(1,pseudopos([car(10),car(5)]),2,pseudopos([car(10),car(5)])),
                conjugate(2,pseudopos([car(9),car(8)]),3,pseudopos([car(9),car(8)])),
                conjugate(3,pseudopos([car(13),car(14)]),4,pseudopos([car(13),car(14)]))])]).