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3PC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C14sing1.53Å1.55Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C15H153sing1.09Å1.12Å
C14C13sing1.53Å1.53Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C13C12sing1.53Å1.53Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
C12C11sing1.53Å1.54Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C11C10sing1.51Å1.55Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C10O7doub1.21Å1.25Å
C10O6sing1.34Å1.49Å
O6C9sing1.45Å1.47Å
C9C8sing1.53Å1.55Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.11Å
C8O5sing1.45Å1.44Å
C8C7sing1.53Å1.50Å
C8H8sing1.09Å1.11Å
O5C16sing1.34Å1.46Å
C16O8doub1.21Å1.25Å
C16C17sing1.51Å1.55Å
C17C18sing1.53Å1.53Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.12Å
C18C19sing1.53Å1.53Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.11Å
C19C20sing1.53Å1.53Å
C19H191sing1.09Å1.12Å
C19H192sing1.09Å1.12Å
C20C21sing1.53Å1.54Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.11Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.11Å
C21H213sing1.09Å1.12Å
C7C6sing1.53Å1.56Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.12Å
C6P1sing1.82Å1.78Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.12Å
P1O2sing1.54Å1.43Å
P1O3doub1.55Å1.53Å
P1O1sing1.61Å1.69Å
O1C5sing1.43Å1.47Å
C5C4sing1.53Å1.58Å
C5H51sing1.09Å1.12Å
C5H52sing1.09Å1.11Å
C4N1sing1.47Å1.57Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.11Å
N1C1sing1.47Å1.50Å
N1C2sing1.47Å1.48Å
N1C3sing1.47Å1.52Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.11Å
C1H13sing1.09Å1.11Å
C2H21sing1.09Å1.12Å
C2H22sing1.09Å1.12Å
C2H23sing1.09Å1.11Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
C3H33sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C15H151111.7°109.5°
C14C15H152111.4°109.5°
C14C15H153111.4°109.5°
C15C14C13111.7°109.4°
C15C14H141111.4°109.4°
C15C14H142111.4°109.4°
H151C15H152111.4°109.4°
H151C15H153111.4°109.5°
H152C15H15398.9°109.5°
C13C14H141111.3°109.5°
C13C14H142111.4°109.5°
C14C13C12109.0°109.4°
C14C13H131112.4°109.5°
C14C13H132112.4°109.5°
H141C14H14299.0°109.6°
C12C13H131112.4°109.5°
C12C13H132112.4°109.4°
C13C12C11110.4°109.4°
C13C12H121111.9°109.5°
C13C12H122111.8°109.5°
H131C13H13298.0°109.5°
C11C12H121111.8°109.5°
C11C12H122111.9°109.4°
C12C11C10120.5°109.5°
C12C11H111108.3°109.5°
C12C11H112108.3°109.5°
H121C12H12298.6°109.5°
C10C11H111108.3°109.4°
C10C11H112108.2°109.4°
C11C10O7120.3°120.0°
C11C10O6122.4°120.0°
H111C11H112101.6°109.5°
O7C10O6117.3°120.1°
C10O6C9127.9°117.0°
O6C9C8112.8°109.5°
O6C9H91111.0°109.5°
O6C9H92111.0°109.5°
C8C9H91111.0°109.5°
C8C9H92111.0°109.5°
C9C8O5111.0°109.5°
C9C8C7111.1°109.5°
C9C8H8106.1°109.5°
H91C9H9299.4°109.4°
O5C8C7105.6°109.4°
O5C8H8111.6°109.5°
C8O5C16131.2°117.0°
C7C8H8111.5°109.4°
C8C7C6127.3°109.5°
C8C7H71106.0°109.5°
C8C7H72106.0°109.4°
O5C16O8120.3°120.0°
O5C16C17118.7°120.0°
O8C16C17120.9°120.0°
C16C17C18116.9°109.4°
C16C17H171109.5°109.5°
C16C17H172109.5°109.4°
C18C17H171109.5°109.5°
C18C17H172109.5°109.5°
C17C18C19111.4°109.4°
C17C18H181111.5°109.5°
C17C18H182111.5°109.5°
H171C17H172100.6°109.5°
C19C18H181111.5°109.4°
C19C18H182111.5°109.5°
C18C19C20109.2°109.5°
C18C19H191112.3°109.4°
C18C19H192112.3°109.5°
H181C18H18298.9°109.5°
C20C19H191112.4°109.5°
C20C19H192112.3°109.5°
C19C20C21112.3°109.5°
C19C20H201111.1°109.5°
C19C20H202111.1°109.5°
H191C19H19298.1°109.5°
C21C20H201111.2°109.4°
C21C20H202111.2°109.5°
C20C21H211112.3°109.4°
C20C21H212111.2°109.5°
C20C21H213111.2°109.5°
H201C20H20299.2°109.5°
H211C21H212111.2°109.5°
H211C21H213111.2°109.5°
H212C21H21399.1°109.5°
C6C7H71106.0°109.5°
C6C7H72106.0°109.5°
C7C6P1112.8°109.5°
C7C6H61111.0°109.5°
C7C6H62110.9°109.4°
H71C7H72103.4°109.5°
P1C6H61111.0°109.5°
P1C6H62111.0°109.5°
C6P1O2115.3°109.5°
C6P1O3117.8°109.4°
C6P1O198.2°109.5°
H61C6H6299.3°109.5°
O2P1O3109.0°109.4°
O2P1O1112.4°109.5°
O3P1O1102.9°109.5°
P1O1C5127.8°123.0°
O1C5C4118.0°109.5°
O1C5H51109.1°109.5°
O1C5H52109.1°109.4°
C4C5H51109.1°109.5°
C4C5H52109.1°109.5°
C5C4N1129.8°109.4°
C5C4H41105.2°109.5°
C5C4H42105.1°109.5°
H51C5H52101.0°109.5°
N1C4H41105.1°109.5°
N1C4H42105.1°109.5°
C4N1C1115.5°109.5°
C4N1C2118.0°109.5°
C4N1C3107.3°109.5°
H41C4H42104.1°109.5°
C1N1C2102.4°109.4°
C1N1C3107.4°109.5°
N1C1H11115.5°109.5°
N1C1H12110.1°109.5°
N1C1H13110.0°109.4°
C2N1C3105.3°109.5°
N1C2H21118.0°109.5°
N1C2H22109.2°109.4°
N1C2H23109.1°109.4°
N1C3H31107.3°109.5°
N1C3H32113.0°109.5°
N1C3H33113.0°109.5°
H11C1H12110.0°109.5°
H11C1H13110.0°109.4°
H12C1H13100.2°109.4°
H21C2H22109.1°109.5°
H21C2H23109.1°109.5°
H22C2H23101.0°109.5°
H31C3H32113.0°109.5°
H31C3H33113.0°109.4°
H32C3H3397.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C15H151H152125.3°120.0°
C14C15H151H153125.3°120.0°
C14C15H152H153117.2°120.0°
C15C14C13H141125.2°119.9°
C15C14C13H142125.3°119.9°
C15C14H141H142117.3°120.0°
C15C14C13C12153.7°180.0°
C15C14C13H13128.4°60.1°
C15C14C13H13281.0°60.1°
H151C15H152H153117.3°119.9°
H151C15C14C13180.0°60.0°
H151C15C14H14154.8°60.0°
H151C15C14H14254.7°180.0°
H152C15C14C1354.7°60.0°
H152C15C14H14170.5°180.0°
H152C15C14H142179.9°60.0°
H153C15C14C1354.7°180.0°
H153C15C14H141179.9°60.0°
H153C15C14H14270.6°60.0°
C13C14H141H142117.3°120.1°
C14C13C12H131125.3°120.0°
C14C13C12H132125.3°119.9°
C14C13H131H132118.3°120.1°
C14C13C12C11150.8°180.0°
C14C13C12H12184.0°60.0°
C14C13C12H12225.5°60.1°
H141C14C13C1281.1°60.0°
H141C14C13H131153.6°180.0°
H141C14C13H13244.2°59.9°
H142C14C13C1228.5°60.1°
H142C14C13H13196.8°59.9°
H142C14C13H132153.7°180.0°
C12C13H131H132118.3°120.0°
C13C12C11H121125.2°120.0°
C13C12C11H122125.2°119.9°
C13C12H121H122117.8°120.0°
C13C12C11C10163.9°180.0°
C13C12C11H11170.8°60.0°
C13C12C11H11238.7°60.1°
H131C13C12C1125.5°60.0°
H131C13C12H121150.7°180.0°
H131C13C12H12299.8°59.9°
H132C13C12C1183.9°60.1°
H132C13C12H12141.3°60.0°
H132C13C12H122150.8°180.0°
C11C12H121H122117.8°120.0°
C12C11C10H111125.3°120.0°
C12C11C10H112125.3°120.0°
C12C11H111H112113.9°120.1°
C12C11C10O77.3°0.1°
C12C11C10O6172.2°180.0°
H121C12C11C1038.7°60.0°
H121C12C11H111164.0°180.0°
H121C12C11H11286.6°59.9°
H122C12C11C1070.9°60.1°
H122C12C11H11154.4°59.9°
H122C12C11H112163.9°180.0°
C10C11H111H112113.9°119.9°
C11C10O7O6179.5°179.9°
C11C10O6C9178.7°180.0°
H111C11C10O7118.0°120.0°
H111C11C10O662.5°60.0°
H112C11C10O7132.5°120.0°
H112C11C10O647.0°60.1°
O7C10O6C91.8°0.1°
C10O6C9C8173.4°180.0°
C10O6C9H9161.3°60.0°
C10O6C9H9248.2°60.0°
O6C9C8H91125.2°120.0°
O6C9C8H92125.2°120.0°
O6C9H91H92116.9°120.0°
O6C9C8O533.5°65.0°
O6C9C8C783.7°175.0°
O6C9C8H8154.9°55.1°
C8C9H91H92116.9°120.1°
C9C8O5C7120.5°120.0°
C9C8O5H8118.2°120.1°
C9C8C7H8118.2°120.0°
C9C8O5C1660.5°90.0°
C9C8C7C6122.7°175.0°
C9C8C7H71112.0°65.0°
C9C8C7H722.5°55.0°
H91C9C8O5158.7°55.0°
H91C9C8C741.6°65.0°
H91C9C8H879.8°175.0°
H92C9C8O591.7°175.0°
H92C9C8C7151.1°55.0°
H92C9C8H829.7°64.9°
O5C8C7H8121.4°120.0°
C8O5C16O86.9°0.0°
C8O5C16C17175.5°180.0°
O5C8C7C6116.8°65.0°
O5C8C7H718.5°55.0°
O5C8C7H72117.9°175.0°
C7C8O5C16179.0°150.0°
C8C7C6H71125.3°120.0°
C8C7C6H72125.3°120.0°
C8C7H71H72111.3°120.0°
C8C7C6P186.0°180.0°
C8C7C6H6139.3°60.0°
C8C7C6H62148.8°60.0°
H8C8O5C1657.7°30.1°
H8C8C7C64.6°55.0°
H8C8C7H71129.8°175.0°
H8C8C7H72120.7°65.0°
O5C16O8C17177.5°180.0°
O5C16C17C18129.4°180.0°
O5C16C17H1714.2°60.0°
O5C16C17H172105.3°60.0°
O8C16C17C1853.1°0.0°
O8C16C17H171178.3°119.9°
O8C16C17H17272.2°120.1°
C16C17C18H171125.3°120.0°
C16C17C18H172125.3°120.0°
C16C17H171H172115.3°120.0°
C16C17C18C1973.9°180.0°
C16C17C18H181160.8°60.0°
C16C17C18H18251.4°60.0°
C18C17H171H172115.2°120.1°
C17C18C19H181125.2°120.0°
C17C18C19H182125.3°120.0°
C17C18H181H182117.4°120.1°
C17C18C19C20161.8°180.0°
C17C18C19H19136.5°60.0°
C17C18C19H19272.9°60.0°
H171C17C18C1951.3°60.1°
H171C17C18H18173.9°180.0°
H171C17C18H182176.6°59.9°
H172C17C18C19160.8°60.0°
H172C17C18H18135.5°59.9°
H172C17C18H18273.9°180.0°
C19C18H181H182117.4°120.0°
C18C19C20H191125.3°120.0°
C18C19C20H192125.3°120.0°
C18C19H191H192118.2°120.0°
C18C19C20C21155.0°NaN°
C18C19C20H20129.8°60.0°
C18C19C20H20279.7°60.0°
H181C18C19C2072.9°60.0°
H181C18C19H191161.7°180.0°
H181C18C19H19252.3°60.0°
H182C18C19C2036.6°59.9°
H182C18C19H19188.8°60.0°
H182C18C19H192161.8°180.0°
C20C19H191H192118.2°120.1°
C19C20C21H201125.2°120.0°
C19C20C21H202125.2°120.1°
C19C20H201H202117.0°120.1°
C19C20C21H211180.0°60.0°
C19C20C21H21254.7°59.9°
C19C20C21H21354.7°180.0°
H191C19C20C2179.7°60.0°
H191C19C20H201155.1°NaN°
H191C19C20H20245.6°60.0°
H192C19C20C2129.8°60.0°
H192C19C20H20195.5°60.0°
H192C19C20H202155.0°180.0°
C21C20H201H202117.1°120.0°
C20C21H211H212125.3°120.0°
C20C21H211H213125.3°120.0°
C20C21H212H213117.1°120.0°
H201C20C21H21154.8°180.0°
H201C20C21H212179.9°60.0°
H201C20C21H21370.5°60.0°
H202C20C21H21154.8°60.0°
H202C20C21H21270.5°180.0°
H202C20C21H213179.9°59.9°
H211C21H212H213117.0°120.0°
C6C7H71H72111.2°120.0°
C7C6P1H61125.3°120.0°
C7C6P1H62125.2°119.9°
C7C6H61H62116.8°119.9°
C7C6P1O284.6°64.9°
C7C6P1O3144.4°55.0°
C7C6P1O135.1°175.0°
H71C7C6P1148.8°60.0°
H71C7C6H6185.9°180.0°
H71C7C6H6223.5°60.0°
H72C7C6P139.3°60.0°
H72C7C6H61164.6°60.0°
H72C7C6H6285.9°180.0°
P1C6H61H62116.9°120.0°
C6P1O2O3135.1°120.0°
C6P1O2O1111.5°120.0°
C6P1O3O1106.7°120.0°
C6P1O1C5144.1°175.0°
H61C6P1O240.7°175.0°
H61C6P1O390.3°65.0°
H61C6P1O1160.4°55.0°
H62C6P1O2150.2°55.0°
H62C6P1O319.2°175.0°
H62C6P1O190.1°65.1°
O2P1O3O1119.5°120.0°
O2P1O1C522.3°64.9°
O3P1O1C594.7°55.1°
P1O1C5C4161.6°180.0°
P1O1C5H5173.1°59.9°
P1O1C5H5236.4°60.1°
O1C5C4H51125.2°120.1°
O1C5C4H52125.3°119.9°
O1C5H51H52114.9°119.9°
O1C5C4N143.7°66.5°
O1C5C4H41169.0°173.5°
O1C5C4H4281.5°53.4°
C4C5H51H52114.9°120.0°
C5C4N1H41125.3°120.0°
C5C4N1H42125.2°120.0°
C5C4H41H42110.3°120.0°
C5C4N1C187.0°54.4°
C5C4N1C234.6°174.4°
C5C4N1C3153.3°65.6°
H51C5C4N181.5°53.5°
H51C5C4H4143.7°66.5°
H51C5C4H42153.3°173.5°
H52C5C4N1169.0°173.5°
H52C5C4H4165.7°53.5°
H52C5C4H4243.8°66.5°
N1C4H41H42110.2°120.0°
C4N1C1C2129.7°120.0°
C4N1C1C3119.7°120.0°
C4N1C2C3119.7°120.0°
C4N1C1H11180.0°60.0°
C4N1C1H1254.8°180.0°
C4N1C1H1354.8°60.0°
C4N1C2H21180.0°60.0°
C4N1C2H2254.8°180.0°
C4N1C2H2354.7°60.0°
C4N1C3H31180.0°71.1°
C4N1C3H3254.7°168.9°
C4N1C3H3354.8°48.9°
H41C4N1C1147.8°65.6°
H41C4N1C290.6°54.4°
H41C4N1C328.0°174.4°
H42C4N1C138.3°174.4°
H42C4N1C2159.9°65.6°
H42C4N1C381.5°54.4°
C1N1C2C3112.2°120.0°
N1C1H11H12125.3°120.1°
N1C1H11H13125.3°119.9°
N1C1H12H13115.9°120.0°
C1N1C2H2151.9°180.0°
C1N1C2H2273.3°60.0°
C1N1C2H23177.2°60.0°
C1N1C3H3155.2°49.0°
C1N1C3H32179.5°71.0°
C1N1C3H3370.0°168.9°
C2N1C1H1150.4°60.0°
C2N1C1H12175.6°60.0°
C2N1C1H1374.9°180.0°
N1C2H21H22125.3°120.0°
N1C2H21H23125.3°120.0°
N1C2H22H23114.9°120.0°
C2N1C3H3153.4°169.0°
C2N1C3H3271.8°49.0°
C2N1C3H33178.7°71.1°
C3N1C1H1160.3°180.0°
C3N1C1H1264.9°59.9°
C3N1C1H13174.5°60.1°
C3N1C2H2160.3°60.0°
C3N1C2H22174.5°60.0°
C3N1C2H2364.9°180.0°
N1C3H31H32125.3°120.0°
N1C3H31H33125.3°120.0°
N1C3H32H33119.0°120.0°
H11C1H12H13115.8°120.0°
H21C2H22H23114.8°120.0°
H31C3H32H33118.9°120.0°

222415

PDB entries from 2024-07-10

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