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80K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O07C06doub1.22Å1.26Å
C28C27doub1.38Å1.43ÅAromatic
C28N29sing1.32Å1.36ÅAromatic
C01C02sing1.53Å1.56Å
C27C26sing1.39Å1.45ÅAromatic
C04C02sing1.53Å1.56Å
N29C30doub1.32Å1.37ÅAromatic
C06O05sing1.35Å1.42Å
C06N08sing1.35Å1.42Å
C02O05sing1.45Å1.45Å
C02C03sing1.53Å1.48Å
C26C25doub1.39Å1.41ÅAromatic
N08C09sing1.47Å1.49Å
C30C25sing1.38Å1.41ÅAromatic
C25C24sing1.51Å1.60Å
C09C10sing1.53Å1.59Å
C12S11sing1.81Å1.87Å
C12C13sing1.53Å1.51Å
N14C13sing1.47Å1.52Å
N14C15sing1.40Å1.50Å
C24N23sing1.46Å1.47Å
S11C10sing1.81Å1.95Å
N23C21sing1.35Å1.41Å
C13C21sing1.51Å1.59Å
C21O22doub1.21Å1.29Å
C16C15doub1.39Å1.42ÅAromatic
C16C17sing1.38Å1.46ÅAromatic
C15C20sing1.39Å1.42ÅAromatic
C17C18doub1.38Å1.42ÅAromatic
C20C19doub1.38Å1.45ÅAromatic
C18C19sing1.38Å1.43ÅAromatic
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C03H4sing1.09Å1.10Å
C03H5sing1.09Å1.10Å
C03H6sing1.09Å1.10Å
C04H7sing1.09Å1.10Å
C04H8sing1.09Å1.10Å
C04H9sing1.09Å1.10Å
C09H10sing1.09Å1.10Å
C09H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C16H17sing1.08Å1.08Å
C17H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C20H21sing1.08Å1.08Å
C24H22sing1.09Å1.10Å
C24H23sing1.09Å1.10Å
C26H24sing1.08Å1.08Å
C27H25sing1.08Å1.08Å
C28H26sing1.08Å1.08Å
C30H27sing1.08Å1.08Å
N08H28sing0.97Å1.00Å
N14H29sing0.97Å1.00Å
N23H30sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O07C06O05117.8°120.0°
O07C06N08120.8°120.0°
C27C28N29117.8°120.8°
C28C27C26118.5°119.1°
C28C27H25120.7°120.4°
C27C28H26121.1°119.6°
C28N29C30124.4°121.7°
N29C28H26121.1°119.6°
C01C02C04109.9°109.5°
C01C02O05112.6°109.4°
C01C02C03110.8°109.5°
C02C01H1109.5°109.5°
C02C01H2109.4°109.4°
C02C01H3109.4°109.5°
C27C26C25121.3°118.4°
C27C26H24119.4°120.8°
C26C27H25120.8°120.4°
C04C02O05106.1°109.5°
C04C02C03109.7°109.5°
C02C04H7109.5°109.6°
C02C04H8109.5°109.5°
C02C04H9109.5°109.5°
N29C30C25120.8°120.8°
N29C30H27119.6°119.6°
O05C06N08121.3°120.0°
C06O05C02124.1°117.0°
C06N08C09122.2°120.0°
C06N08H28118.9°120.0°
O05C02C03107.5°109.4°
C02C03H4109.5°109.5°
C02C03H5109.5°109.5°
C02C03H6109.5°109.5°
C26C25C30117.2°119.1°
C26C25C24121.9°120.4°
C25C26H24119.4°120.8°
N08C09C10110.8°109.5°
N08C09H10109.1°109.5°
N08C09H11109.2°109.5°
C09N08H28118.9°120.0°
C30C25C24120.9°120.5°
C25C30H27119.6°119.6°
C25C24N23112.5°109.4°
C25C24H22108.7°109.5°
C25C24H23108.7°109.5°
C09C10S11115.4°109.5°
C10C09H10109.2°109.5°
C10C09H11109.2°109.5°
C09C10H12108.0°109.5°
C09C10H13108.0°109.5°
S11C12C13113.0°109.5°
C12S11C10114.7°103.0°
S11C12H14108.6°109.4°
S11C12H15108.6°109.5°
C12C13N14111.7°109.5°
C12C13C21108.3°109.5°
C13C12H14108.6°109.5°
C13C12H15108.6°109.5°
C12C13H16109.9°109.5°
C13N14C15122.6°120.0°
N14C13C21108.1°109.5°
N14C13H16109.8°109.5°
C13N14H29106.1°120.0°
N14C15C16122.2°120.1°
N14C15C20119.7°120.1°
C15N14H29106.1°120.0°
C24N23C21129.7°120.0°
N23C24H22108.7°109.4°
N23C24H23108.7°109.5°
C24N23H30115.1°120.0°
S11C10H12108.0°109.4°
S11C10H13108.0°109.5°
N23C21C13123.7°120.0°
N23C21O22116.1°120.0°
C21N23H30115.1°120.0°
C13C21O22120.2°120.0°
C21C13H16109.0°109.4°
C15C16C17120.8°120.0°
C16C15C20118.1°119.8°
C15C16H17119.6°120.0°
C16C17C18120.6°120.0°
C17C16H17119.6°120.0°
C16C17H18119.7°120.0°
C15C20C19121.4°119.9°
C15C20H21119.3°120.0°
C17C18C19118.7°120.1°
C18C17H18119.7°120.0°
C17C18H19120.6°119.9°
C20C19C18120.3°120.1°
C20C19H20119.9°119.9°
C19C20H21119.3°120.1°
C19C18H19120.7°120.0°
C18C19H20119.8°119.9°
H1C01H2109.5°109.5°
H1C01H3109.5°109.5°
H2C01H3109.5°109.4°
H4C03H5109.5°109.5°
H4C03H6109.5°109.4°
H5C03H6109.5°109.5°
H7C04H8109.5°109.5°
H7C04H9109.5°109.4°
H8C04H9109.5°109.4°
H10C09H11109.5°109.4°
H12C10H13109.5°109.5°
H14C12H15109.5°109.5°
H22C24H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O07C06O05N08179.7°179.9°
O07C06O05C0221.9°0.1°
O07C06N08C09143.2°0.1°
O07C06N08H2836.9°180.0°
C27C28N29H26180.0°180.0°
C28C27C26H25180.0°179.9°
C27C28N29C301.0°0.3°
C28C27C26C250.4°0.0°
C28C27C26H24179.5°180.0°
N29C28C27C260.7°0.0°
C28N29C30C251.0°0.6°
N29C28C27H25179.3°180.0°
C28N29C30H27179.0°179.7°
C01C02C04O05122.1°119.9°
C01C02C04C03122.1°120.1°
C01C02O05C0661.8°60.0°
C01C02O05C03122.3°120.0°
C02C01H1H2120.0°119.9°
C02C01H1H3120.0°120.1°
C02C01H2H3120.0°119.9°
C01C02C03H4180.0°60.0°
C01C02C03H560.0°180.0°
C01C02C03H660.0°59.9°
C01C02C04H7180.0°60.0°
C01C02C04H860.0°180.0°
C01C02C04H960.0°60.1°
C27C26C25H24180.0°180.0°
C27C26C25C300.4°0.3°
C27C26C25C24179.8°180.0°
C26C27C28H26179.3°180.0°
C04C02O05C0658.6°179.9°
C04C02O05C03117.3°120.0°
C04C02C01H1180.0°59.9°
C04C02C01H260.0°60.1°
C04C02C01H360.0°180.0°
C04C02C03H458.4°60.0°
C04C02C03H5178.4°60.0°
C04C02C03H661.6°179.9°
C02C04H7H8120.0°120.0°
C02C04H7H9120.0°120.1°
C02C04H8H9120.0°120.0°
N29C30C25C260.7°0.6°
N29C30C25H27180.0°179.7°
N29C30C25C24180.0°179.7°
C30N29C28H26179.0°179.7°
C06O05C02C03175.9°60.0°
O05C06N08C0937.2°180.0°
O05C06N08H28142.8°0.1°
N08C06O05C02158.5°179.9°
C06N08C09H28180.0°179.9°
C06N08C09C10103.7°179.9°
C06N08C09H1016.5°60.1°
C06N08C09H11136.1°59.9°
O05C02C01H161.9°60.0°
O05C02C01H258.1°180.0°
O05C02C01H3178.1°60.1°
O05C02C03H456.6°180.0°
O05C02C03H563.5°60.0°
O05C02C03H6176.6°60.1°
O05C02C04H757.9°60.0°
O05C02C04H8177.9°60.1°
O05C02C04H962.1°180.0°
C03C02C01H158.5°180.0°
C03C02C01H2178.5°60.0°
C03C02C01H361.4°59.9°
C02C03H4H5120.0°120.0°
C02C03H4H6120.0°120.0°
C02C03H5H6120.0°120.1°
C03C02C04H757.9°180.0°
C03C02C04H862.1°59.9°
C03C02C04H9177.9°60.0°
C26C25C30C24179.4°179.7°
C26C25C24N2321.5°90.1°
C26C25C24H2298.9°150.0°
C26C25C24H23142.0°30.0°
C25C26C27H25179.5°180.0°
C26C25C30H27179.3°179.7°
N08C09C10H10120.2°120.0°
N08C09C10H11120.2°120.0°
N08C09C10S119.5°180.0°
N08C09H10H11119.4°120.0°
N08C09C10H12111.4°60.0°
N08C09C10H13130.4°60.0°
C30C25C24N23157.9°90.3°
C30C25C24H2281.7°29.7°
C30C25C24H2337.4°149.7°
C30C25C26H24179.6°179.7°
C25C24N23H22120.5°120.0°
C25C24N23H23120.4°120.0°
C25C24N23C21100.5°180.0°
C25C24H22H23118.6°120.0°
C24C25C26H240.2°0.0°
C24C25C30H270.1°0.0°
C25C24N23H3079.5°0.1°
C09C10S11C1268.9°180.0°
C09C10S11H12120.9°120.0°
C09C10S11H13120.9°120.0°
C10C09H10H11119.4°120.0°
C09C10H12H13117.3°120.0°
C10C09N08H2876.3°0.0°
S11C12C13H14120.5°120.0°
S11C12C13H15120.5°120.0°
S11C12C13N14122.1°65.3°
S11C12C13C21119.0°174.6°
C12S11C10H1251.9°60.0°
C12S11C10H13170.2°60.0°
S11C12H14H15118.4°120.0°
S11C12C13H160.0°54.7°
C12C13N14C21119.0°120.0°
C12C13N14H16122.2°120.0°
C12C13N14C15155.2°157.3°
C13C12S11C10104.2°180.0°
C12C13C21N23121.3°79.9°
C12C13C21H16119.5°120.0°
C12C13C21O2257.9°100.0°
C13C12H14H15118.4°120.0°
C12C13N14H2933.5°22.7°
C13N14C15H29121.8°179.9°
N14C13C21N230.2°160.1°
N14C13C21H16119.3°120.0°
N14C13C21O22179.1°20.0°
C13N14C15C16156.8°2.7°
C13N14C15C2022.4°177.5°
N14C13C12H141.6°174.7°
N14C13C12H15117.4°54.6°
C15N14C13C2185.8°82.7°
N14C15C16C20179.3°179.8°
N14C15C16C17179.4°179.8°
N14C15C20C19179.9°179.8°
C15N14C13H1633.0°37.2°
N14C15C16H170.6°0.3°
N14C15C20H210.1°0.2°
C24N23C21H30180.0°179.8°
C24N23C21C13178.0°180.0°
C24N23C21O221.3°0.1°
N23C24H22H23118.6°120.0°
S11C10C09H10129.6°60.0°
S11C10C09H11110.7°60.0°
S11C10H12H13117.3°120.0°
C10S11C12H14135.3°60.0°
C10S11C12H1516.3°60.0°
N23C21C13O22179.2°179.9°
N23C21C13H16119.1°40.1°
C21N23C24H22139.1°60.1°
C21N23C24H2319.9°60.0°
C21C13C12H14120.5°54.7°
C21C13C12H151.6°65.4°
C21C13N14H29152.5°97.4°
C13C21N23H302.0°0.2°
O22C21C13H1661.6°140.0°
O22C21N23H30178.8°179.9°
C15C16C17H17180.0°180.0°
C15C16C17C180.0°0.0°
C16C15C20C190.6°0.0°
C15C16C17H18180.0°180.0°
C16C15C20H21179.4°180.0°
C16C15N14H2935.1°177.2°
C17C16C15C200.1°0.0°
C16C17C18H18180.0°180.0°
C16C17C18C190.3°0.0°
C16C17C18H19179.7°180.0°
C15C20C19H21180.0°179.9°
C15C20C19C180.9°0.0°
C20C15C16H17179.9°179.9°
C15C20C19H20179.2°180.0°
C20C15N14H29144.2°2.5°
C17C18C19C200.7°0.0°
C17C18C19H19180.0°180.0°
C18C17C16H17180.0°180.0°
C17C18C19H20179.3°180.0°
C20C19C18H20180.0°180.0°
C20C19C18H19179.3°180.0°
C19C18C17H18179.7°180.0°
C18C19C20H21179.1°179.9°
H1C01H2H3120.0°120.1°
H4C03H5H6120.0°119.9°
H7C04H8H9120.0°119.9°
H10C09C10H128.8°60.0°
H10C09C10H13109.5°180.0°
H10C09N08H28163.5°120.0°
H11C09C10H12128.4°179.9°
H11C09C10H1310.1°60.0°
H11C09N08H2843.9°120.0°
H14C12C13H16120.5°65.3°
H15C12C13H16120.5°174.7°
H16C13N14H2988.8°142.7°
H17C16C17H180.0°0.0°
H18C17C18H190.3°0.0°
H19C18C19H200.7°0.0°
H20C19C20H210.8°0.0°
H22C24N23H3041.0°120.1°
H23C24N23H30160.1°119.9°
H24C26C27H250.5°0.0°
H25C27C28H260.7°0.0°

248636

PDB entries from 2026-02-04

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