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PM4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O23P24sing1.61Å1.54Å
O23H23sing0.97Å0.95Å
P24O26doub1.48Å1.52Å
P24O27sing1.61Å1.54Å
P24H24sing1.42Å1.42Å
O27C28sing1.43Å1.41Å
C28C29sing1.53Å1.54Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C29C30sing1.53Å1.54Å
C29C31sing1.53Å1.55Å
C29C32sing1.53Å1.55Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C30H303sing1.09Å1.10Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C31H313sing1.09Å1.10Å
C32O33sing1.43Å1.43Å
C32C34sing1.51Å1.54Å
C32H32sing1.09Å1.10Å
O33H33sing0.97Å0.95Å
C34O35doub1.21Å1.23Å
C34N36sing1.35Å1.33Å
N36C37sing1.47Å1.47Å
N36H36sing0.97Å1.00Å
C37C38sing1.53Å1.53Å
C37H371sing1.09Å1.10Å
C37H372sing1.09Å1.10Å
C38C39sing1.51Å1.51Å
C38H381sing1.09Å1.10Å
C38H382sing1.09Å1.10Å
C39O40doub1.21Å1.23Å
C39N41sing1.35Å1.33Å
N41C42sing1.47Å1.46Å
N41H41sing0.97Å1.00Å
C42C43sing1.53Å1.52Å
C42H421sing1.09Å1.10Å
C42H422sing1.09Å1.10Å
C43S1sing1.81Å1.81Å
C43H431sing1.09Å1.10Å
C43H432sing1.09Å1.10Å
S1C1sing1.71Å1.77Å
C1O1doub1.21Å1.23Å
C1C2sing1.51Å1.53Å
C2C3sing1.53Å1.51Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3C4sing1.53Å1.53Å
C3H31sing1.09Å1.10Å
C3H32Asing1.09Å1.10Å
C4C5sing1.53Å1.48Å
C4H41Asing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C5C6sing1.53Å1.54Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H63sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
P24O23H23109.5°114.0°
O23P24O26110.0°109.5°
O23P24O27107.2°109.5°
O23P24H24110.4°109.5°
O26P24O27109.0°109.4°
O26P24H24108.7°109.4°
O27P24H24111.4°109.4°
P24O27C28122.6°123.0°
O27C28C29109.0°109.5°
O27C28H281109.8°109.5°
O27C28H282109.6°109.4°
C29C28H281109.8°109.5°
C29C28H282109.6°109.5°
C28C29C30108.4°109.5°
C28C29C31107.2°109.5°
C28C29C32111.4°109.5°
H281C28H282109.1°109.5°
C30C29C31109.4°109.5°
C30C29C32110.1°109.4°
C29C30H301109.4°109.4°
C29C30H302109.5°109.5°
C29C30H303109.5°109.5°
C31C29C32110.2°109.5°
C29C31H311109.5°109.5°
C29C31H312109.4°109.5°
C29C31H313109.5°109.5°
C29C32O33108.3°109.4°
C29C32C34107.4°109.5°
C29C32H32111.7°109.5°
H301C30H302109.5°109.5°
H301C30H303109.5°109.5°
H302C30H303109.5°109.5°
H311C31H312109.5°109.4°
H311C31H313109.4°109.5°
H312C31H313109.5°109.4°
O33C32C34109.8°109.5°
O33C32H32109.4°109.5°
C32O33H33109.5°114.0°
C34C32H32110.2°109.5°
C32C34O35120.6°120.0°
C32C34N36117.3°120.0°
O35C34N36122.0°120.0°
C34N36C37123.2°120.0°
C34N36H36118.4°120.0°
C37N36H36118.4°120.0°
N36C37C38115.0°109.4°
N36C37H371106.4°109.5°
N36C37H372107.7°109.5°
C38C37H371106.4°109.5°
C38C37H372107.7°109.4°
C37C38C39114.4°109.5°
C37C38H381106.8°109.5°
C37C38H382107.8°109.5°
H371C37H372113.9°109.5°
C39C38H381106.7°109.5°
C39C38H382107.9°109.5°
C38C39O40121.8°120.0°
C38C39N41113.8°120.0°
H381C38H382113.4°109.5°
O40C39N41124.4°120.0°
C39N41C42127.2°120.0°
C39N41H41116.4°120.0°
C42N41H41116.4°120.0°
N41C42C43106.9°109.4°
N41C42H421110.9°109.5°
N41C42H422110.3°109.5°
C43C42H421110.9°109.5°
C43C42H422110.3°109.5°
C42C43S1120.9°109.4°
C42C43H431103.2°109.5°
C42C43H432105.8°109.4°
H421C42H422107.5°109.5°
S1C43H431103.2°109.5°
S1C43H432105.8°109.5°
C43S1C1106.0°100.0°
H431C43H432118.9°109.5°
S1C1O1120.3°120.0°
S1C1C2117.1°120.0°
O1C1C2122.6°120.0°
C1C2C3113.4°109.5°
C1C2H21107.3°109.5°
C1C2H22108.2°109.4°
C3C2H21107.3°109.4°
C3C2H22108.2°109.5°
C2C3C4111.3°109.5°
C2C3H31108.4°109.4°
C2C3H32A108.8°109.5°
H21C2H22112.6°109.5°
C4C3H31108.4°109.5°
C4C3H32A108.9°109.5°
C3C4C5114.2°109.5°
C3C4H41A106.9°109.5°
C3C4H42107.9°109.5°
H31C3H32A110.9°109.4°
C5C4H41A106.9°109.4°
C5C4H42107.9°109.5°
C4C5C6109.1°109.5°
C4C5H51109.7°109.4°
C4C5H52109.6°109.5°
H41AC4H42113.2°109.4°
C6C5H51109.7°109.5°
C6C5H52109.6°109.5°
C5C6H61109.4°109.4°
C5C6H62109.5°109.5°
C5C6H63109.5°109.5°
H51C5H52109.2°109.4°
H61C6H62109.5°109.4°
H61C6H63109.5°109.5°
H62C6H63109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O23P24O26O27117.3°120.0°
O23P24O26H24121.0°120.1°
O23P24O27H24120.9°120.1°
O23P24O27C28175.9°165.0°
H23O23P24O2644.7°60.1°
H23O23P24O27163.2°180.0°
H23O23P24H2475.3°59.9°
O26P24O27H24119.9°119.9°
O26P24O27C2856.8°75.0°
P24O27C28C29172.3°180.0°
P24O27C28H28152.1°60.0°
P24O27C28H28267.7°60.1°
H24P24O27C2863.2°44.9°
O27C28C29H281120.2°120.0°
O27C28C29H282120.0°119.9°
O27C28H281H282120.1°120.0°
O27C28C29C30166.6°60.0°
O27C28C29C3148.6°60.0°
O27C28C29C3272.0°179.9°
C29C28H281H282120.1°120.0°
C28C29C30C31116.6°120.0°
C28C29C30C32122.2°120.0°
C28C29C31C32121.4°120.0°
C28C29C30H30123.6°66.4°
C28C29C30H302143.6°173.6°
C28C29C30H30396.4°53.6°
C28C29C31H31161.4°63.5°
C28C29C31H312178.6°176.6°
C28C29C31H31358.6°56.6°
C28C29C32O3360.2°65.7°
C28C29C32C34178.7°54.2°
C28C29C32H3260.3°174.3°
H281C28C29C3046.4°180.0°
H281C28C29C3171.6°60.0°
H281C28C29C32167.8°60.0°
H282C28C29C3073.4°59.9°
H282C28C29C31168.6°179.9°
H282C28C29C3248.0°60.0°
C30C29C31C32121.2°120.0°
C29C30H301H302120.0°120.0°
C29C30H301H303120.0°120.0°
C29C30H302H303120.0°120.0°
C30C29C31H31156.0°176.5°
C30C29C31H31264.0°56.6°
C30C29C31H313176.0°63.4°
C30C29C32O3360.2°174.3°
C30C29C32C3458.3°65.8°
C30C29C32H32179.3°54.3°
C31C29C30H301140.2°53.6°
C31C29C30H30299.8°66.4°
C31C29C30H30320.2°173.6°
C29C31H311H312120.0°120.0°
C29C31H311H313120.0°120.1°
C29C31H312H313120.0°120.0°
C31C29C32O33179.0°54.3°
C31C29C32C3462.5°174.2°
C31C29C32H3258.5°65.7°
C32C29C30H30198.5°173.6°
C32C29C30H30221.5°53.6°
C32C29C30H303141.5°66.4°
C32C29C31H311177.2°56.6°
C32C29C31H31257.2°63.4°
C32C29C31H31362.8°176.6°
C29C32O33C34117.0°120.0°
C29C32O33H32122.0°120.0°
C29C32C34H32121.9°120.1°
C29C32O33H3363.1°60.0°
C29C32C34O3569.9°111.8°
C29C32C34N36110.1°68.2°
H301C30H302H303120.0°120.0°
H311C31H312H313120.0°120.0°
O33C32C34H32120.6°120.0°
O33C32C34O35172.6°8.1°
O33C32C34N367.4°171.9°
C34C32O33H3353.9°59.9°
C32C34O35N36180.0°180.0°
C32C34N36C37179.5°175.6°
C32C34N36H360.6°4.4°
H32C32O33H33174.9°180.0°
H32C32C34O3552.0°128.1°
H32C32C34N36127.9°51.9°
O35C34N36C370.5°4.4°
O35C34N36H36179.4°175.5°
C34N36C37H36180.0°179.9°
C34N36C37C38156.9°180.0°
C34N36C37H37139.4°60.0°
C34N36C37H37283.1°60.1°
N36C37C38H371117.5°120.0°
N36C37C38H372120.0°120.0°
N36C37H371H372118.5°120.1°
N36C37C38C3962.8°180.0°
N36C37C38H381179.4°60.0°
N36C37C38H38257.2°60.0°
H36N36C37C3823.1°0.1°
H36N36C37H371140.6°119.9°
H36N36C37H37296.9°120.0°
C38C37H371H372118.4°120.0°
C37C38C39H381117.8°120.0°
C37C38C39H382120.0°120.0°
C37C38H381H382118.6°120.0°
C37C38C39O4086.0°0.0°
C37C38C39N4194.1°180.0°
H371C37C38C3954.7°60.0°
H371C37C38H38163.1°180.0°
H371C37C38H382174.8°60.0°
H372C37C38C39177.2°60.0°
H372C37C38H38159.4°60.0°
H372C37C38H38262.8°180.0°
C39C38H381H382118.7°120.0°
C38C39O40N41179.9°180.0°
C38C39N41C42179.3°180.0°
C38C39N41H410.7°0.0°
H381C38C39O40156.2°120.0°
H381C38C39N4123.7°60.0°
H382C38C39O4034.0°120.0°
H382C38C39N41145.9°60.0°
O40C39N41C420.6°0.0°
O40C39N41H41179.4°179.9°
C39N41C42H41180.0°179.9°
C39N41C42C4393.1°180.0°
C39N41C42H42127.9°60.0°
C39N41C42H422146.9°60.0°
N41C42C43H421121.0°120.0°
N41C42C43H422120.0°120.0°
N41C42H421H422120.7°120.0°
N41C42C43S1177.8°180.0°
N41C42C43H43163.5°60.0°
N41C42C43H43262.2°60.0°
H41N41C42C4386.9°0.1°
H41N41C42H421152.1°119.9°
H41N41C42H42233.1°120.0°
C43C42H421H422120.7°120.0°
C42C43S1H431114.4°120.0°
C42C43S1H432120.0°119.9°
C42C43H431H432116.7°119.9°
C42C43S1C164.7°180.0°
H421C42C43S161.1°60.0°
H421C42C43H431175.5°180.0°
H421C42C43H43258.8°60.0°
H422C42C43S157.8°60.0°
H422C42C43H43156.6°60.0°
H422C42C43H432177.8°180.0°
S1C43H431H432116.7°120.1°
C43S1C1O10.6°0.0°
C43S1C1C2179.4°180.0°
H431C43S1C149.7°60.0°
H432C43S1C1175.3°60.0°
S1C1O1C2179.9°180.0°
S1C1C2C3119.5°180.0°
S1C1C2H211.2°60.0°
S1C1C2H22120.5°60.0°
O1C1C2C360.4°0.0°
O1C1C2H21178.7°120.0°
O1C1C2H2259.6°120.0°
C1C2C3H21118.3°120.0°
C1C2C3H22120.0°120.0°
C1C2H21H22118.9°120.0°
C1C2C3C4175.8°180.0°
C1C2C3H3164.9°60.0°
C1C2C3H32A55.8°60.0°
C3C2H21H22118.9°120.0°
C2C3C4H31119.2°120.0°
C2C3C4H32A120.0°120.0°
C2C3H31H32A119.5°119.9°
C2C3C4C558.8°180.0°
C2C3C4H41A176.7°60.0°
C2C3C4H4261.2°59.9°
H21C2C3C457.5°60.0°
H21C2C3H31176.7°180.0°
H21C2C3H32A62.5°60.0°
H22C2C3C464.2°60.0°
H22C2C3H3155.0°60.0°
H22C2C3H32A175.8°179.9°
C4C3H31H32A119.5°120.0°
C3C4C5H41A117.9°120.0°
C3C4C5H42120.0°120.1°
C3C4H41AH42118.7°120.0°
C3C4C5C6179.0°180.0°
C3C4C5H5160.8°60.0°
C3C4C5H5259.0°59.9°
H31C3C4C560.4°60.0°
H31C3C4H41A57.5°180.0°
H31C3C4H42179.6°60.1°
H32AC3C4C5178.8°60.0°
H32AC3C4H41A63.3°60.0°
H32AC3C4H4258.8°180.0°
C5C4H41AH42118.7°120.0°
C4C5C6H51120.2°120.0°
C4C5C6H52120.0°120.0°
C4C5H51H52120.1°119.9°
C4C5C6H61117.0°180.0°
C4C5C6H62123.0°60.1°
C4C5C6H632.9°60.0°
H41AC4C5C661.1°60.0°
H41AC4C5H51178.7°180.0°
H41AC4C5H5258.9°60.1°
H42C4C5C661.0°60.0°
H42C4C5H5159.2°60.0°
H42C4C5H52179.0°180.0°
C6C5H51H52120.1°120.0°
C5C6H61H62120.0°120.0°
C5C6H61H63120.0°120.0°
C5C6H62H63120.0°120.0°
H51C5C6H613.1°60.0°
H51C5C6H62116.9°180.0°
H51C5C6H63123.1°60.0°
H52C5C6H61122.9°60.0°
H52C5C6H622.9°59.9°
H52C5C6H63117.1°180.0°
H61C6H62H63120.0°120.0°

223166

PDB entries from 2024-07-31

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