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88J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C18doub1.38Å1.38ÅAromatic
C17C16sing1.38Å1.38ÅAromatic
C18C19sing1.38Å1.37ÅAromatic
C16C15doub1.39Å1.37ÅAromatic
C19C20doub1.38Å1.37ÅAromatic
CL13C12sing1.74Å1.72Å
C15C20sing1.39Å1.38ÅAromatic
C15C14sing1.48Å1.44Å
C12C14doub1.39Å1.37ÅAromatic
C12C11sing1.41Å1.37ÅAromatic
C14C4sing1.41Å1.38ÅAromatic
O22C21sing1.43Å1.41Å
C1N2sing1.47Å1.44Å
C10C11doub1.40Å1.38ÅAromatic
C10C9sing1.36Å1.38ÅAromatic
C11C6sing1.42Å1.37ÅAromatic
C28N27sing1.46Å1.45Å
C4N2sing1.38Å1.41Å
C4N5doub1.32Å1.34ÅAromatic
N2C3sing1.47Å1.45Å
N27C26sing1.35Å1.36ÅAromatic
N27C23sing1.37Å1.36ÅAromatic
C21C23sing1.51Å1.47Å
C21C9sing1.51Å1.49Å
C21C29sing1.51Å1.50Å
C26N25doub1.31Å1.31ÅAromatic
C23C24doub1.35Å1.38ÅAromatic
C9C8doub1.39Å1.37ÅAromatic
N25C24sing1.34Å1.37ÅAromatic
C6N5sing1.34Å1.34ÅAromatic
C6C7doub1.40Å1.38ÅAromatic
C30C29doub1.39Å1.38ÅAromatic
C30C31sing1.38Å1.38ÅAromatic
C29C34sing1.39Å1.37ÅAromatic
C8C7sing1.36Å1.38ÅAromatic
C31N32doub1.32Å1.33ÅAromatic
C34C33doub1.38Å1.38ÅAromatic
N32C33sing1.32Å1.33ÅAromatic
C18H46sing1.08Å1.08Å
C17H45sing1.08Å1.08Å
C19H47sing1.08Å1.08Å
C16H44sing1.08Å1.08Å
C20H48sing1.08Å1.08Å
C8H42sing1.08Å1.08Å
C7H41sing1.08Å1.08Å
C30H55sing1.08Å1.08Å
C34H58sing1.08Å1.08Å
C10H43sing1.08Å1.08Å
C31H56sing1.08Å1.08Å
C33H57sing1.08Å1.08Å
C24H50sing1.08Å1.08Å
C26H51sing1.08Å1.08Å
C28H54sing1.09Å1.10Å
C28H53sing1.09Å1.10Å
C28H52sing1.09Å1.10Å
C1H36sing1.09Å1.10Å
C1H37sing1.09Å1.10Å
C1H35sing1.09Å1.10Å
C3H38sing1.09Å1.10Å
C3H39sing1.09Å1.10Å
C3H40sing1.09Å1.10Å
O22H49sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C17C16120.5°120.2°
C17C18C19119.9°120.2°
C17C18H46120.0°119.9°
C18C17H45119.7°119.9°
C17C16C15119.5°119.8°
C16C17H45119.8°120.0°
C17C16H44120.2°120.1°
C18C19C20119.5°120.2°
C19C18H46120.1°119.9°
C18C19H47120.2°119.9°
C16C15C20119.9°119.8°
C16C15C14121.5°120.1°
C15C16H44120.3°120.1°
C19C20C15120.6°119.9°
C20C19H47120.2°120.0°
C19C20H48119.7°120.1°
CL13C12C14118.6°120.9°
CL13C12C11119.4°120.9°
C20C15C14118.6°120.1°
C15C20H48119.7°120.1°
C15C14C12118.2°120.3°
C15C14C4123.3°120.3°
C14C12C11122.0°118.1°
C12C14C4118.4°119.4°
C12C11C10122.1°121.2°
C12C11C6116.6°119.2°
C14C4N2119.8°119.3°
C14C4N5120.2°121.4°
O22C21C23106.1°109.5°
O22C21C9108.1°109.5°
O22C21C29105.2°109.4°
C21O22H49109.5°114.0°
C1N2C4116.1°111.0°
C1N2C3116.8°111.0°
N2C1H36109.5°109.5°
N2C1H37109.5°109.5°
N2C1H35109.5°109.4°
C11C10C9120.5°119.7°
C10C11C6121.3°119.6°
C11C10H43119.7°120.1°
C10C9C21121.2°119.6°
C10C9C8118.6°120.8°
C9C10H43119.7°120.2°
C11C6N5122.1°120.2°
C11C6C7117.6°119.0°
C28N27C26125.2°126.4°
C28N27C23126.8°126.4°
N27C28H54109.5°109.5°
N27C28H53109.5°109.5°
N27C28H52109.5°109.5°
N2C4N5120.0°119.3°
C4N2C3110.5°111.0°
C4N5C6120.8°121.6°
N2C3H38109.5°109.4°
N2C3H39109.4°109.5°
N2C3H40109.5°109.5°
C26N27C23107.9°107.2°
N27C26N25111.9°108.7°
N27C26H51124.0°125.7°
N27C23C21122.7°126.6°
N27C23C24104.2°106.8°
C23C21C9115.9°109.5°
C23C21C29112.7°109.4°
C21C23C24133.2°126.5°
C9C21C29108.2°109.5°
C21C9C8120.2°119.6°
C21C29C30120.4°120.8°
C21C29C34120.9°120.8°
C26N25C24104.3°109.3°
N25C26H51124.1°125.7°
C23C24N25111.8°108.0°
C23C24H50124.1°126.0°
C9C8C7120.4°121.0°
C9C8H42119.8°119.5°
N25C24H50124.1°126.0°
N5C6C7120.3°120.8°
C6C7C8121.6°119.9°
C6C7H41119.2°120.1°
C29C30C31118.8°119.1°
C30C29C34118.7°118.5°
C29C30H55120.6°120.5°
C30C31N32123.7°120.7°
C31C30H55120.6°120.4°
C30C31H56118.2°119.6°
C29C34C33118.4°119.1°
C29C34H58120.8°120.5°
C7C8H42119.8°119.5°
C8C7H41119.2°120.1°
C31N32C33116.3°121.7°
N32C31H56118.1°119.6°
C34C33N32124.2°120.8°
C33C34H58120.8°120.4°
C34C33H57117.9°119.6°
N32C33H57117.9°119.6°
H54C28H53109.4°109.5°
H54C28H52109.4°109.4°
H53C28H52109.5°109.5°
H36C1H37109.5°109.5°
H36C1H35109.4°109.5°
H37C1H35109.5°109.5°
H38C3H39109.5°109.5°
H38C3H40109.5°109.5°
H39C3H40109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C17C16H45180.0°180.0°
C17C18C19H46180.0°179.7°
C18C17C16C150.4°0.0°
C17C18C19C200.3°0.3°
C17C18C19H47179.6°179.8°
C18C17C16H44179.6°180.0°
C16C17C18C190.3°0.0°
C17C16C15H44180.0°179.9°
C17C16C15C200.6°0.2°
C17C16C15C14178.3°180.0°
C16C17C18H46179.7°179.7°
C18C19C20H47180.0°180.0°
C18C19C20C150.5°0.6°
C19C18C17H45179.7°180.0°
C18C19C20H48179.5°180.0°
C16C15C20C190.6°0.5°
C16C15C20C14177.8°179.7°
C16C15C14C1261.5°65.0°
C16C15C14C4121.8°115.0°
C15C16C17H45179.6°180.0°
C16C15C20H48179.4°180.0°
C19C20C15H48180.0°179.5°
C19C20C15C14178.5°179.7°
C20C19C18H46179.6°180.0°
CL13C12C14C154.2°0.0°
CL13C12C14C11180.0°180.0°
CL13C12C14C4179.0°180.0°
CL13C12C11C100.6°0.0°
CL13C12C11C6179.7°179.2°
C20C15C14C12116.3°114.7°
C20C15C14C460.4°65.2°
C15C20C19H47179.5°179.5°
C20C15C16H44179.4°179.7°
C15C14C12C4176.8°179.9°
C15C14C12C11175.8°180.0°
C15C14C4N21.9°0.1°
C15C14C4N5176.3°179.3°
C14C15C16H441.6°0.0°
C14C15C20H481.5°0.3°
C14C12C11C10179.4°180.0°
C14C12C11C60.3°0.8°
C12C14C4N2178.5°180.0°
C12C14C4N50.4°0.8°
C11C12C14C41.0°0.0°
C12C11C10C6179.7°179.2°
C12C11C10C9180.0°180.0°
C12C11C6N51.0°0.8°
C12C11C6C7179.8°179.8°
C12C11C10H430.0°0.8°
C14C4N2C159.4°124.2°
C14C4N2N5178.2°179.2°
C14C4N2C3164.6°111.8°
C14C4N5C60.9°0.8°
O22C21C9C103.7°9.3°
O22C21C23N2753.2°56.8°
O22C21C23C9120.0°120.0°
O22C21C23C29114.6°119.9°
O22C21C9C29113.5°120.0°
O22C21C23C24126.6°123.1°
O22C21C9C8174.6°170.7°
O22C21C29C3037.2°30.1°
O22C21C29C34143.2°150.0°
C1N2C4C3135.9°124.0°
C1N2C4N5122.4°56.6°
N2C1H36H37120.0°120.0°
N2C1H36H35120.0°120.0°
N2C1H37H35120.0°120.0°
C1N2C3H38180.0°179.0°
C1N2C3H3960.0°61.0°
C1N2C3H4060.0°59.0°
C11C10C9H43180.0°179.2°
C11C10C9C21178.8°179.5°
C11C10C9C80.4°0.6°
C10C11C6N5179.3°180.0°
C10C11C6C70.1°0.6°
C9C10C11C60.3°0.8°
C10C9C21C23115.1°110.7°
C10C9C21C8178.4°179.9°
C10C9C21C29117.2°129.3°
C10C9C8C70.4°0.1°
C10C9C8H42179.6°179.7°
C11C6N5C41.6°0.0°
C11C6N5C7179.2°179.4°
C11C6C7C80.1°0.1°
C11C6C7H41179.9°180.0°
C6C11C10H43179.7°180.0°
C28N27C26C23178.9°180.0°
C28N27C23C210.8°0.2°
C28N27C26N25179.2°180.0°
C28N27C23C24179.1°179.9°
C28N27C26H510.8°0.1°
N27C28H54H53120.0°120.0°
N27C28H54H52120.0°120.0°
N27C28H53H52120.0°120.0°
N2C4N5C6177.3°179.9°
C4N2C1H36180.0°60.0°
C4N2C1H3760.0°180.0°
C4N2C1H3560.0°60.0°
C4N2C3H3844.4°55.0°
C4N2C3H3975.6°175.0°
C4N2C3H40164.4°65.0°
N5C4N2C313.5°67.4°
C4N5C6C7179.2°179.4°
C3N2C1H3646.8°64.0°
C3N2C1H3773.2°56.0°
C3N2C1H35166.8°176.0°
N2C3H38H39120.0°120.0°
N2C3H38H40120.0°120.0°
N2C3H39H40120.0°120.0°
C26N27C23C21179.7°179.8°
N27C26N25H51180.0°179.9°
C26N27C23C240.2°0.1°
N27C26N25C240.2°0.2°
C26N27C28H54180.0°90.0°
C26N27C28H5360.0°150.0°
C26N27C28H5260.0°29.9°
N27C23C21C24179.9°179.9°
N27C23C21C9173.2°176.8°
N27C23C21C2961.4°63.2°
C23N27C26N250.3°0.0°
N27C23C24N250.1°0.2°
N27C23C24H50179.9°179.9°
C23N27C26H51179.7°179.9°
C23N27C28H541.3°90.0°
C23N27C28H53118.7°30.0°
C23N27C28H52121.3°150.1°
C23C21C9C29127.6°120.0°
C23C21C9C866.5°69.3°
C21C23C24N25179.8°179.7°
C23C21C29C30152.4°150.0°
C23C21C29C3428.0°30.0°
C21C23C24H500.2°0.0°
C23C21O22H49180.0°180.0°
C9C21C23C246.7°3.1°
C9C21C29C3078.2°90.0°
C9C21C29C34101.4°90.0°
C21C9C8C7178.8°180.0°
C21C9C8H421.2°0.2°
C21C9C10H431.2°0.3°
C9C21O22H4955.1°60.0°
C29C21C23C24118.7°116.9°
C29C21C9C861.1°50.7°
C21C29C30C34179.6°179.9°
C21C29C30C31179.7°180.0°
C21C29C34C33179.7°180.0°
C21C29C30H550.3°0.3°
C21C29C34H580.3°0.1°
C29C21O22H4960.4°60.1°
C26N25C24C230.1°0.3°
C26N25C24H50180.0°180.0°
C23C24N25H50180.0°179.7°
C9C8C7C60.3°0.2°
C9C8C7H42180.0°179.8°
C9C8C7H41179.7°179.8°
C8C9C10H43179.6°179.8°
C24N25C26H51179.8°180.0°
N5C6C7C8179.3°179.5°
N5C6C7H410.7°0.6°
C6C7C8H41180.0°180.0°
C6C7C8H42179.8°180.0°
C29C30C31H55180.0°179.7°
C29C30C31N320.1°0.0°
C30C29C34C330.1°0.1°
C30C29C34H58179.9°180.0°
C29C30C31H56179.9°180.0°
C31C30C29C340.1°0.0°
C30C31N32H56180.0°180.0°
C30C31N32C330.2°0.0°
C29C34C33H58180.0°179.9°
C29C34C33N320.0°0.0°
C34C29C30H55179.9°179.7°
C29C34C33H57179.9°180.0°
C31N32C33C340.1°0.0°
N32C31C30H55179.9°179.7°
C31N32C33H57179.9°180.0°
C34C33N32H57180.0°180.0°
N32C33C34H58180.0°179.9°
C33N32C31H56179.8°180.0°
H46C18C17H450.3°0.3°
H46C18C19H470.4°0.0°
H45C17C16H440.4°0.0°
H47C19C20H480.5°0.0°
H42C8C7H410.2°0.0°
H55C30C31H560.1°0.3°
H58C34C33H570.0°0.1°
H54C28H53H52119.9°119.9°
H36C1H37H35120.0°120.0°
H38C3H39H40120.0°120.1°

222415

PDB entries from 2024-07-10

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