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A1BV3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C2C3sing1.53Å1.53Å
C2C4sing1.51Å1.51Å
C4O5doub1.21Å1.21Å
C4N6sing1.35Å1.35Å
N6C7sing1.47Å1.47Å
N6C11sing1.47Å1.47Å
C7C8sing1.53Å1.54Å
C8N9sing1.47Å1.47Å
C8C26sing1.51Å1.51Å
N9C10sing1.47Å1.47Å
N9C13sing1.35Å1.35Å
C10C11sing1.53Å1.53Å
C11C12sing1.53Å1.53Å
C13O14doub1.21Å1.21Å
C13C15sing1.49Å1.49Å
C15O16doub1.21Å1.22Å
C15N17sing1.35Å1.36Å
N17C18sing1.40Å1.41Å
C18C19doub1.39Å1.39ÅAromatic
C18C25sing1.39Å1.40ÅAromatic
C19N20sing1.32Å1.32ÅAromatic
N20C21doub1.32Å1.32ÅAromatic
C21N22sing1.39Å1.39Å
C21C23sing1.39Å1.39ÅAromatic
C23C24sing1.51Å1.51Å
C23C25doub1.38Å1.38ÅAromatic
C26C27doub1.38Å1.38ÅAromatic
C26C32sing1.38Å1.38ÅAromatic
C27C28sing1.38Å1.38ÅAromatic
C28C29doub1.38Å1.38ÅAromatic
C29F30sing1.35Å1.35Å
C29C31sing1.38Å1.39ÅAromatic
C31C32doub1.38Å1.38ÅAromatic
C7H40sing1.09Å1.10Å
C7H41sing1.09Å1.10Å
C8H42sing1.09Å1.10Å
C10H43sing1.09Å1.10Å
C10H44sing1.09Å1.10Å
C24H53sing1.09Å1.10Å
C24H54sing1.09Å1.10Å
C24H55sing1.09Å1.10Å
C28H58sing1.08Å1.08Å
C1H35sing1.09Å1.10Å
C1H33sing1.09Å1.10Å
C1H34sing1.09Å1.10Å
C11H45sing1.09Å1.10Å
C12H46sing1.09Å1.10Å
C12H48sing1.09Å1.10Å
C12H47sing1.09Å1.10Å
C19H50sing1.08Å1.08Å
C2H36sing1.09Å1.10Å
C25H56sing1.08Å1.08Å
C27H57sing1.08Å1.08Å
C3H38sing1.09Å1.10Å
C3H37sing1.09Å1.10Å
C3H39sing1.09Å1.10Å
C31H59sing1.08Å1.08Å
C32H60sing1.08Å1.08Å
N17H49sing0.97Å1.00Å
N22H51sing0.97Å1.00Å
N22H52sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3109.0°109.4°
C1C2C4109.8°109.5°
C2C1H35109.5°109.5°
C2C1H33109.4°109.4°
C2C1H34109.5°109.5°
C1C2H36109.6°109.5°
C3C2C4108.9°109.5°
C3C2H36109.6°109.5°
C2C3H38109.5°109.5°
C2C3H37109.5°109.5°
C2C3H39109.5°109.5°
C2C4O5119.2°120.0°
C2C4N6121.2°119.9°
C4C2H36109.9°109.5°
O5C4N6119.6°120.0°
C4N6C7119.6°120.6°
C4N6C11120.8°120.5°
C7N6C11119.6°118.8°
N6C7C8111.0°108.6°
N6C7H40109.1°109.6°
N6C7H41109.1°109.8°
N6C11C10109.3°108.6°
N6C11C12109.9°109.6°
N6C11H45109.8°109.8°
C7C8N9108.5°108.7°
C7C8C26111.3°109.6°
C8C7H40109.1°109.6°
C8C7H41109.1°109.6°
C7C8H42108.6°109.7°
N9C8C26110.0°109.6°
C8N9C10118.4°118.7°
C8N9C13121.3°120.6°
N9C8H42109.5°109.6°
C8C26C27119.6°120.0°
C8C26C32120.5°120.0°
C26C8H42109.0°109.7°
C10N9C13120.4°120.6°
N9C10C11108.4°108.7°
N9C10H43109.8°109.6°
N9C10H44109.7°109.7°
N9C13O14119.8°120.0°
N9C13C15120.6°120.0°
C10C11C12109.7°109.6°
C11C10H43109.8°109.6°
C11C10H44109.7°109.6°
C10C11H45109.1°109.6°
C12C11H45109.1°109.6°
C11C12H46109.5°109.5°
C11C12H48109.4°109.4°
C11C12H47109.5°109.5°
O14C13C15119.6°120.0°
C13C15O16118.3°120.0°
C13C15N17118.5°120.0°
O16C15N17123.2°120.0°
C15N17C18127.4°120.0°
C15N17H49116.3°120.0°
N17C18C19123.5°120.4°
N17C18C25118.6°120.4°
C18N17H49116.3°120.0°
C19C18C25117.9°119.2°
C18C19N20121.5°120.7°
C18C19H50119.2°119.6°
C18C25C23119.2°118.4°
C18C25H56120.4°120.8°
C19N20C21121.7°121.7°
N20C19H50119.3°119.6°
N20C21N22119.7°119.6°
N20C21C23120.5°120.7°
N22C21C23119.8°119.6°
C21N22H51109.5°120.0°
C21N22H52109.5°120.0°
C21C23C24120.3°120.4°
C21C23C25119.1°119.2°
C24C23C25120.5°120.4°
C23C24H53109.5°109.5°
C23C24H54109.5°109.4°
C23C24H55109.5°109.4°
C23C25H56120.4°120.8°
C27C26C32119.9°120.1°
C26C27C28120.2°120.0°
C26C27H57119.9°120.0°
C26C32C31120.1°120.0°
C26C32H60120.0°120.0°
C27C28C29120.0°120.0°
C27C28H58120.0°120.0°
C28C27H57119.9°120.0°
C28C29F30120.0°120.0°
C28C29C31119.9°120.0°
C29C28H58120.0°120.0°
F30C29C31120.1°120.0°
C29C31C32120.0°119.9°
C29C31H59120.0°120.0°
C32C31H59120.0°120.0°
C31C32H60119.9°120.0°
H40C7H41109.5°109.7°
H43C10H44109.5°109.6°
H53C24H54109.5°109.5°
H53C24H55109.4°109.5°
H54C24H55109.5°109.5°
H35C1H33109.5°109.5°
H35C1H34109.5°109.5°
H33C1H34109.5°109.4°
H46C12H48109.5°109.5°
H46C12H47109.5°109.5°
H48C12H47109.5°109.4°
H38C3H37109.5°109.5°
H38C3H39109.4°109.5°
H37C3H39109.5°109.4°
H51N22H52109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C4119.7°120.0°
C1C2C3H36120.0°120.0°
C1C2C4H36120.7°120.0°
C1C2C4O585.2°9.0°
C1C2C4N695.0°171.3°
C2C1H35H33120.0°120.0°
C2C1H35H34120.0°120.0°
C2C1H33H34120.0°120.0°
C1C2C3H38180.0°65.2°
C1C2C3H3760.0°174.8°
C1C2C3H3960.0°54.9°
C3C2C4H36120.1°120.1°
C3C2C4O534.0°110.9°
C3C2C4N6145.8°68.7°
C3C2C1H35180.0°60.0°
C3C2C1H3360.0°180.0°
C3C2C1H3460.0°60.0°
C2C3H38H37120.0°120.0°
C2C3H38H39120.0°120.1°
C2C3H37H39120.0°120.0°
C2C4O5N6179.8°179.7°
C2C4N6C7179.8°2.5°
C2C4N6C110.2°177.5°
C4C2C1H3560.8°180.0°
C4C2C1H33179.2°60.0°
C4C2C1H3459.2°60.0°
C4C2C3H3860.2°54.8°
C4C2C3H3759.8°65.2°
C4C2C3H39179.8°174.9°
O5C4N6C70.1°177.8°
O5C4N6C11179.7°2.2°
O5C4C2H36154.1°129.0°
C4N6C7C11179.6°180.0°
C4N6C7C8131.8°124.8°
C4N6C11C10129.6°124.8°
C4N6C11C12110.1°5.0°
C4N6C7H4011.6°5.1°
C4N6C7H41108.0°115.5°
C4N6C11H459.9°115.4°
N6C4C2H3625.7°51.3°
N6C7C8H40120.2°119.7°
N6C7C8H41120.2°119.9°
N6C7C8N945.6°49.5°
N6C7C8C2675.6°169.2°
C7N6C11C1050.8°55.2°
C7N6C11C1269.5°175.0°
N6C7H40H41119.3°120.6°
N6C7C8H42164.5°70.3°
C7N6C11H45170.5°64.6°
C11N6C7C848.6°55.2°
N6C11C10N950.5°49.4°
N6C11C10C12120.5°119.8°
N6C11C10H45120.1°119.9°
N6C11C12H45120.5°120.6°
C11N6C7H40168.8°174.9°
C11N6C7H4171.6°64.6°
N6C11C10H4369.3°70.4°
N6C11C10H44170.3°169.3°
N6C11C12H46180.0°54.4°
N6C11C12H4860.0°65.6°
N6C11C12H4760.0°174.5°
C7C8N9C26121.9°119.8°
C7C8N9H42118.3°119.8°
C7C8C26H42119.7°120.5°
C7C8N9C1055.5°55.3°
C7C8N9C13124.0°124.7°
C7C8C26C27169.0°122.1°
C7C8C26C3211.4°58.2°
C8C7H40H41119.3°120.3°
N9C8C26H42120.1°120.3°
C8N9C10C13179.5°180.0°
C8N9C10C1158.5°55.2°
C8N9C13O14179.8°8.0°
C8N9C13C150.5°172.0°
N9C8C26C2748.7°118.7°
N9C8C26C32131.6°61.0°
N9C8C7H40165.8°169.2°
N9C8C7H4174.7°70.4°
C8N9C10H4361.3°64.6°
C8N9C10H44178.3°175.0°
C26C8N9C1066.4°175.0°
C26C8N9C13114.1°5.0°
C8C26C27C32179.6°179.7°
C8C26C27C28179.9°180.0°
C8C26C32C31179.9°180.0°
C26C8C7H4044.6°71.1°
C26C8C7H41164.2°49.3°
C8C26C27H570.1°0.0°
C8C26C32H600.1°0.0°
N9C10C11H43119.9°119.8°
N9C10C11H44119.8°119.9°
N9C10C11C1270.0°169.2°
C10N9C13O140.3°172.0°
C10N9C13C15180.0°8.0°
C10N9C8H42173.8°64.6°
N9C10H43H44120.5°120.5°
N9C10C11H45170.6°70.5°
C13N9C10C11120.9°124.7°
N9C13O14C15179.7°179.9°
N9C13C15O1678.3°6.5°
N9C13C15N17101.6°173.5°
C13N9C8H425.7°115.5°
C13N9C10H43119.2°115.5°
C13N9C10H441.1°4.9°
C10C11C12H45119.4°120.3°
C11C10H43H44120.5°120.3°
C10C11C12H4659.9°64.7°
C10C11C12H4860.2°175.3°
C10C11C12H47179.9°55.4°
C12C11C10H43170.2°49.4°
C12C11C10H4449.8°70.9°
C11C12H46H48120.0°120.0°
C11C12H46H47120.0°120.0°
C11C12H48H47120.0°120.0°
O14C13C15O16101.4°173.5°
O14C13C15N1778.7°6.5°
C13C15O16N17179.9°180.0°
C13C15N17C18179.9°175.5°
C13C15N17H490.1°4.4°
O16C15N17C180.2°4.5°
O16C15N17H49179.8°175.6°
C15N17C18H49180.0°179.9°
C15N17C18C199.4°139.1°
C15N17C18C25170.4°41.2°
N17C18C19C25179.8°179.7°
N17C18C19N20179.9°180.0°
N17C18C25C23179.9°180.0°
N17C18C19H500.1°0.3°
N17C18C25H560.2°0.1°
C18C19N20H50180.0°179.7°
C18C19N20C210.1°0.0°
C19C18C25C230.1°0.3°
C19C18C25H56180.0°179.7°
C19C18N17H49170.6°40.9°
C25C18C19N200.1°0.3°
C18C25C23C210.0°0.0°
C18C25C23C24180.0°180.0°
C18C25C23H56180.0°180.0°
C25C18C19H50179.9°180.0°
C25C18N17H499.6°138.8°
C19N20C21N22180.0°180.0°
C19N20C21C230.0°0.3°
N20C21N22C23179.9°179.7°
N20C21C23C24179.9°179.7°
N20C21C23C250.1°0.3°
C21N20C19H50180.0°179.7°
N20C21N22H510.0°179.7°
N20C21N22H52120.0°0.3°
N22C21C23C240.0°0.0°
N22C21C23C25180.0°180.0°
C21N22H51H52120.0°180.0°
C21C23C24C25180.0°180.0°
C21C23C24H5390.0°90.0°
C21C23C24H54150.0°150.0°
C21C23C24H5530.0°30.0°
C21C23C25H56180.0°180.0°
C23C21N22H51179.9°0.0°
C23C21N22H5259.9°180.0°
C23C24H53H54120.0°119.9°
C23C24H53H55120.0°120.0°
C23C24H54H55120.0°119.9°
C24C23C25H560.0°0.0°
C25C23C24H5390.0°89.9°
C25C23C24H5430.0°30.0°
C25C23C24H55150.0°150.0°
C26C27C28H57180.0°180.0°
C26C27C28C290.2°0.0°
C27C26C32C310.2°0.3°
C27C26C8H4271.3°1.6°
C26C27C28H58179.9°179.7°
C27C26C32H60179.8°179.7°
C32C26C27C280.2°0.3°
C26C32C31C290.1°0.0°
C26C32C31H60180.0°180.0°
C32C26C8H42108.3°178.7°
C32C26C27H57179.8°179.7°
C26C32C31H59179.9°179.7°
C27C28C29H58180.0°179.7°
C27C28C29F30180.0°179.7°
C27C28C29C310.0°0.3°
C28C29F30C31180.0°179.9°
C28C29C31C320.0°0.3°
C29C28C27H57179.9°180.0°
C28C29C31H59180.0°180.0°
F30C29C31C32180.0°179.7°
F30C29C28H580.0°0.1°
F30C29C31H590.0°0.1°
C29C31C32H59180.0°179.7°
C31C29C28H58180.0°180.0°
C29C31C32H60179.9°180.0°
H40C7C8H4275.3°49.4°
H41C7C8H4244.2°169.8°
H43C10C11H4550.7°169.7°
H44C10C11H4569.6°49.4°
H53C24H54H55120.0°120.1°
H58C28C27H570.1°0.3°
H35C1H33H34120.0°120.0°
H35C1C2H3660.0°60.0°
H33C1C2H3660.0°60.0°
H34C1C2H36180.0°180.0°
H45C11C12H4659.5°175.0°
H45C11C12H48179.6°55.0°
H45C11C12H4760.5°65.0°
H46C12H48H47120.0°120.0°
H36C2C3H3860.0°174.8°
H36C2C3H37179.9°54.9°
H36C2C3H3959.9°65.1°
H38C3H37H39119.9°120.0°
H59C31C32H600.1°0.3°

248942

PDB entries from 2026-02-11

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