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UNB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.41Å1.40ÅAromatic
C1C3sing1.42Å1.41ÅAromatic
C1C4doub1.41Å1.43ÅAromatic
C2S5sing1.76Å1.76Å
C2C6doub1.36Å1.38ÅAromatic
C3C7sing1.40Å1.41ÅAromatic
C3C8doub1.41Å1.42ÅAromatic
C4C9sing1.36Å1.36ÅAromatic
C4H4sing1.08Å1.08Å
S5N10sing1.66Å1.65Å
S5O11doub1.42Å1.42Å
S5O12doub1.42Å1.44Å
C6C13sing1.39Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C7C13doub1.36Å1.36ÅAromatic
C7H7sing1.08Å1.08Å
C8C14sing1.36Å1.38ÅAromatic
C8H8sing1.08Å1.08Å
C9C14doub1.39Å1.40ÅAromatic
C9H9sing1.08Å1.08Å
N10C15sing1.40Å1.41Å
N10H10sing0.97Å1.00Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15C16sing1.39Å1.40ÅAromatic
C15C17doub1.39Å1.40ÅAromatic
C16C18doub1.38Å1.39ÅAromatic
C16O19sing1.36Å1.36Å
C17C20sing1.38Å1.38ÅAromatic
C17H17sing1.08Å1.08Å
C18C21sing1.38Å1.40ÅAromatic
C18C22sing1.51Å1.53Å
O19H19sing0.97Å0.95Å
C20C21doub1.38Å1.40ÅAromatic
C20H20sing1.08Å1.08Å
C21C23sing1.51Å1.50Å
C22C24sing1.51Å1.51Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C24N25sing1.35Å1.35Å
C24O26doub1.21Å1.21Å
N25C27sing1.46Å1.46Å
N25H25sing0.97Å1.00Å
C27C28sing1.51Å1.50Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C28C29sing1.38Å1.39ÅAromatic
C28C30doub1.38Å1.38ÅAromatic
C29C31doub1.38Å1.39ÅAromatic
C29H29sing1.08Å1.08Å
C30C32sing1.38Å1.38ÅAromatic
C30H30sing1.08Å1.08Å
C31C33sing1.39Å1.39ÅAromatic
C31H31sing1.08Å1.08Å
C32C33doub1.40Å1.41ÅAromatic
C32H32sing1.08Å1.08Å
C33C34sing1.48Å1.48Å
C34N35sing1.38Å1.39Å
C34N36doub1.30Å1.31Å
N35H351sing0.97Å1.00Å
N35H352sing0.97Å1.00Å
N36H36sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C3118.6°119.4°
C2C1C4120.3°121.2°
C1C2S5117.4°120.2°
C1C2C6120.0°119.6°
C3C1C4121.1°119.4°
C1C3C7120.0°119.4°
C1C3C8117.9°119.3°
C1C4C9119.1°119.6°
C1C4H4120.4°120.2°
S5C2C6122.6°120.1°
C2S5N10107.5°107.4°
C2S5O11112.7°105.8°
C2S5O12104.3°105.7°
C2C6C13121.5°121.0°
C2C6H6119.2°119.5°
C7C3C8122.1°121.3°
C3C7C13120.6°119.6°
C3C7H7119.7°120.1°
C3C8C14119.6°119.7°
C3C8H8120.2°120.2°
C9C4H4120.5°120.2°
C4C9C14120.3°121.0°
C4C9H9119.9°119.5°
N10S5O11106.3°105.8°
N10S5O12103.8°105.8°
S5N10C15120.4°120.0°
S5N10H10106.0°120.0°
O11S5O12121.2°125.4°
C13C6H6119.3°119.6°
C6C13C7119.3°121.0°
C6C13H13120.3°119.5°
C13C7H7119.7°120.2°
C7C13H13120.3°119.5°
C14C8H8120.2°120.1°
C8C14C9122.0°121.0°
C8C14H14119.0°119.5°
C14C9H9119.9°119.5°
C9C14H14119.0°119.5°
C15N10H10106.0°120.0°
N10C15C16120.2°120.1°
N10C15C17121.0°120.1°
C16C15C17118.8°119.8°
C15C16C18120.0°119.8°
C15C16O19119.6°120.1°
C15C17C20122.0°120.0°
C15C17H17119.0°120.0°
C18C16O19120.5°120.1°
C16C18C21120.7°120.0°
C16C18C22118.7°120.0°
C16O19H19109.5°106.8°
C20C17H17119.0°120.0°
C17C20C21118.5°120.2°
C17C20H20120.7°119.9°
C21C18C22120.6°120.0°
C18C21C20120.0°120.2°
C18C21C23121.1°119.9°
C18C22C24111.9°109.5°
C18C22H221108.1°109.5°
C18C22H222108.7°109.4°
C21C20H20120.7°119.9°
C20C21C23118.9°120.0°
C21C23H231109.5°109.5°
C21C23H232109.4°109.5°
C21C23H233109.5°109.4°
C24C22H221108.1°109.5°
C24C22H222108.7°109.5°
C22C24N25117.6°120.0°
C22C24O26120.9°120.0°
H221C22H222111.4°109.5°
H231C23H232109.5°109.5°
H231C23H233109.5°109.5°
H232C23H233109.5°109.4°
N25C24O26121.5°120.0°
C24N25C27121.8°120.0°
C24N25H25119.1°119.9°
C27N25H25119.1°120.0°
N25C27C28104.1°109.5°
N25C27H271112.5°109.5°
N25C27H272111.3°109.5°
C28C27H271112.4°109.4°
C28C27H272111.3°109.5°
C27C28C29120.8°119.9°
C27C28C30119.7°119.8°
H271C27H272105.4°109.5°
C29C28C30119.4°120.3°
C28C29C31119.9°120.1°
C28C29H29120.1°119.9°
C28C30C32121.6°120.2°
C28C30H30119.2°120.0°
C31C29H29120.1°119.9°
C29C31C33120.8°119.9°
C29C31H31119.6°120.1°
C32C30H30119.2°119.9°
C30C32C33119.2°119.8°
C30C32H32120.4°120.1°
C33C31H31119.6°120.0°
C31C33C32119.0°119.7°
C31C33C34120.2°120.1°
C33C32H32120.4°120.0°
C32C33C34120.7°120.1°
C33C34N35119.5°120.0°
C33C34N36120.7°120.0°
N35C34N36119.8°120.0°
C34N35H351126.0°120.0°
C34N35H352107.9°120.0°
C34N36H36107.9°120.0°
H351N35H352126.1°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C3C4179.7°179.2°
C1C2S5C6176.7°179.8°
C2C1C3C70.0°0.5°
C2C1C3C8179.8°179.8°
C2C1C4C9179.7°179.7°
C2C1C4H40.3°0.5°
C1C2S5N1067.3°63.4°
C1C2S5O1149.6°176.0°
C1C2S5O12177.1°49.2°
C1C2C6C131.2°0.2°
C1C2C6H6178.8°179.8°
C3C1C2S5177.9°179.7°
C3C1C2C61.2°0.5°
C1C3C7C8179.8°179.7°
C3C1C4C90.0°0.5°
C3C1C4H4180.0°179.7°
C1C3C7C131.1°0.3°
C1C3C7H7178.9°179.7°
C1C3C8C140.6°0.3°
C1C3C8H8179.3°179.8°
C4C1C2S51.8°0.6°
C4C1C2C6178.6°179.7°
C4C1C3C7179.7°179.7°
C4C1C3C80.5°0.5°
C1C4C9H4180.0°179.8°
C1C4C9C140.4°0.3°
C1C4C9H9179.6°179.8°
C2S5N10O11120.9°112.6°
C2S5N10O12110.2°112.5°
C2S5O11O12124.5°123.1°
S5C2C6C13177.8°180.0°
S5C2C6H62.2°0.0°
C2S5N10C1542.5°67.8°
C2S5N10H1077.5°112.4°
C6C2S5N10109.4°116.9°
C6C2S5O11133.8°4.2°
C6C2S5O120.4°130.6°
C2C6C13H6180.0°180.0°
C2C6C13C70.1°0.0°
C2C6C13H13179.9°180.0°
C3C7C13C61.0°0.0°
C3C7C13H7180.0°180.0°
C7C3C8C14179.6°180.0°
C7C3C8H80.5°0.1°
C3C7C13H13179.0°180.0°
C8C3C7C13179.1°180.0°
C8C3C7H70.9°0.0°
C3C8C14H8180.0°179.9°
C3C8C14C90.3°0.0°
C3C8C14H14179.7°180.0°
C4C9C14C80.2°0.0°
C4C9C14H9180.0°180.0°
C4C9C14H14179.8°180.0°
H4C4C9C14179.6°179.9°
H4C4C9H90.4°0.1°
N10S5O11O12118.0°123.2°
S5N10C15H10120.0°179.9°
S5N10C15C1682.0°144.6°
S5N10C15C1797.9°35.4°
O11S5N10C15163.4°44.9°
O11S5N10H1043.4°135.0°
O12S5N10C1567.7°179.7°
O12S5N10H10172.3°0.2°
C6C13C7H13180.0°179.9°
C6C13C7H7179.0°180.0°
H6C6C13C7179.9°180.0°
H6C6C13H130.1°0.0°
H7C7C13H131.0°0.1°
C8C14C9H14180.0°180.0°
C8C14C9H9179.8°180.0°
H8C8C14C9179.7°179.9°
H8C8C14H140.4°0.0°
H9C9C14H140.2°0.0°
N10C15C16C17179.9°180.0°
N10C15C16C18179.4°179.7°
N10C15C16O190.1°0.0°
N10C15C17C20179.8°180.0°
N10C15C17H170.2°0.0°
H10N10C15C16158.0°35.3°
H10N10C15C1722.1°144.7°
C15C16C18O19179.5°179.7°
C16C15C17C200.3°0.0°
C16C15C17H17179.7°180.0°
C15C16C18C210.2°0.5°
C15C16C18C22179.7°180.0°
C15C16O19H1960.6°90.0°
C17C15C16C180.7°0.3°
C17C15C16O19179.8°180.0°
C15C17C20H17180.0°180.0°
C15C17C20C210.5°0.0°
C15C17C20H20179.5°180.0°
C16C18C21C22179.9°179.5°
C18C16O19H19119.9°89.7°
C16C18C21C200.7°0.5°
C16C18C21C23179.8°179.7°
C16C18C22C2456.5°90.0°
C16C18C22H221175.5°150.0°
C16C18C22H22263.5°30.0°
O19C16C18C21179.7°179.7°
O19C16C18C220.2°0.3°
C17C20C21C181.0°0.2°
C17C20C21H20180.0°180.0°
C17C20C21C23179.9°180.0°
H17C17C20C21179.5°180.0°
H17C17C20H200.5°0.0°
C18C21C20C23179.1°179.8°
C18C21C20H20179.0°179.8°
C21C18C22C24123.3°90.5°
C21C18C22H2214.4°29.5°
C21C18C22H222116.7°149.4°
C18C21C23H23155.2°90.3°
C18C21C23H232175.2°29.8°
C18C21C23H23364.7°149.7°
C22C18C21C20179.4°180.0°
C22C18C21C230.4°0.2°
C18C22C24H221119.0°120.0°
C18C22C24H222120.0°120.0°
C18C22H221H222119.3°119.9°
C18C22C24N25139.7°180.0°
C18C22C24O2640.8°0.0°
C20C21C23H231125.7°89.9°
C20C21C23H2325.7°150.0°
C20C21C23H233114.3°30.1°
H20C20C21C230.1°0.0°
C21C23H231H232120.0°120.1°
C21C23H231H233120.0°120.0°
C21C23H232H233120.0°119.9°
C24C22H221H222119.3°120.1°
C22C24N25O26179.4°179.9°
C22C24N25C27179.0°180.0°
C22C24N25H251.0°0.0°
H221C22C24N25101.3°60.0°
H221C22C24O2678.1°120.0°
H222C22C24N2519.7°60.0°
H222C22C24O26160.8°120.0°
H231C23H232H233120.0°120.0°
C24N25C27H25180.0°180.0°
C24N25C27C28131.8°180.0°
C24N25C27H2719.8°60.0°
C24N25C27H272108.2°60.0°
O26C24N25C271.6°0.1°
O26C24N25H25178.4°180.0°
N25C27C28H271122.0°120.0°
N25C27C28H272120.0°120.0°
N25C27H271H272121.4°120.1°
N25C27C28C2989.9°90.0°
N25C27C28C3088.9°90.3°
H25N25C27C2848.2°0.0°
H25N25C27H271170.2°120.0°
H25N25C27H27271.8°120.0°
C28C27H271H272121.5°120.0°
C27C28C29C30178.8°179.7°
C27C28C29C31178.6°180.0°
C27C28C29H291.4°0.0°
C27C28C30C32179.4°179.7°
C27C28C30H300.6°0.3°
H271C27C28C29148.1°30.0°
H271C27C28C3033.1°149.7°
H272C27C28C2930.1°150.0°
H272C27C28C30151.1°29.7°
C28C29C31H29180.0°180.0°
C29C28C30C320.6°0.6°
C29C28C30H30179.4°180.0°
C28C29C31C332.4°0.0°
C28C29C31H31177.6°180.0°
C30C28C29C310.2°0.3°
C30C28C29H29179.8°179.7°
C28C30C32H30180.0°179.4°
C28C30C32C330.8°0.6°
C28C30C32H32179.2°179.7°
C29C31C33H31180.0°180.0°
C29C31C33C323.8°0.0°
C29C31C33C34178.8°180.0°
H29C29C31C33177.6°180.0°
H29C29C31H312.4°0.0°
C30C32C33C313.0°0.3°
C30C32C33H32180.0°179.7°
C30C32C33C34179.7°179.7°
H30C30C32C33179.2°180.0°
H30C30C32H320.9°0.3°
C31C33C32C34177.3°180.0°
C31C33C32H32177.0°180.0°
C31C33C34N35158.1°180.0°
C31C33C34N3621.0°0.0°
H31C31C33C32176.2°180.0°
H31C31C33C341.1°0.0°
C32C33C34N3524.6°0.1°
C32C33C34N36156.3°180.0°
H32C32C33C340.3°0.0°
C33C34N35N36179.1°179.9°
C33C34N35H3510.0°180.0°
C33C34N35H352180.0°0.1°
C33C34N36H360.4°179.9°
C34N35H351H352180.0°180.0°
N35C34N36H36179.5°0.0°
N36C34N35H351179.1°0.0°
N36C34N35H3520.9°180.0°

246905

PDB entries from 2025-12-31

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