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ONS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C21doub1.32Å1.34ÅAromatic
N2C22sing1.32Å1.34ÅAromatic
C21C20sing1.38Å1.41ÅAromatic
O3C19doub1.21Å1.25Å
C22C23doub1.38Å1.40ÅAromatic
C18C20sing1.51Å1.49Å
C18C19sing1.51Å1.50Å
C18C15sing1.51Å1.49Å
C20C24doub1.39Å1.40ÅAromatic
C19O2sing1.34Å1.26Å
C14C15doub1.38Å1.39ÅAromatic
C14C13sing1.38Å1.39ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C23C24sing1.39Å1.39ÅAromatic
C13C12doub1.38Å1.39ÅAromatic
C25Nsing1.47Å1.48Å
OC8doub1.22Å1.23Å
C16C17doub1.38Å1.40ÅAromatic
C12C17sing1.38Å1.41ÅAromatic
C12C9sing1.51Å1.52Å
C11C9sing1.54Å1.52Å
C11O1sing1.44Å1.44Å
C8C6sing1.47Å1.49Å
C8N1sing1.35Å1.33Å
NC6sing1.38Å1.36ÅAromatic
NC5sing1.38Å1.36ÅAromatic
C9N1sing1.47Å1.45Å
C9C10sing1.54Å1.52Å
O1C10sing1.44Å1.43Å
C6C7doub1.36Å1.38ÅAromatic
CC5doub1.39Å1.40ÅAromatic
CC1sing1.38Å1.40ÅAromatic
C5C4sing1.41Å1.39ÅAromatic
C7C4sing1.42Å1.41ÅAromatic
C1C2doub1.39Å1.40ÅAromatic
C4C3doub1.40Å1.38ÅAromatic
C2C3sing1.38Å1.36ÅAromatic
C2CL1sing1.74Å1.79Å
C3CLsing1.74Å1.79Å
O2H1sing0.97Å0.95Å
C18H2sing1.09Å1.10Å
C21H3sing1.08Å1.08Å
C22H4sing1.08Å1.08Å
C23H5sing1.08Å1.08Å
C24H6sing1.08Å1.08Å
C16H7sing1.08Å1.08Å
C17H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
N1H15sing0.97Å1.00Å
C7H16sing1.08Å1.08Å
C25H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
CH20sing1.08Å1.08Å
C1H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21N2C22120.0°121.7°
N2C21C20121.1°120.8°
N2C21H3119.4°119.6°
N2C22C23121.3°120.7°
N2C22H4119.3°119.6°
C21C20C18118.6°120.4°
C21C20C24119.8°119.2°
C20C21H3119.5°119.6°
O3C19C18115.0°120.1°
O3C19O2124.3°120.0°
C22C23C24120.0°119.2°
C23C22H4119.4°119.7°
C22C23H5120.0°120.4°
C20C18C19105.6°109.4°
C20C18C15119.8°109.4°
C18C20C24121.5°120.4°
C20C18H2107.7°109.5°
C19C18C15107.9°109.5°
C18C19O2120.8°120.0°
C19C18H2107.6°109.5°
C18C15C14115.0°120.0°
C18C15C16126.0°120.0°
C15C18H2107.7°109.5°
C20C24C23117.7°118.4°
C20C24H6121.1°120.8°
C19O2H1109.5°117.0°
C15C14C13121.5°120.0°
C14C15C16118.9°120.0°
C15C14H9119.2°120.0°
C14C13C12120.6°120.0°
C13C14H9119.2°120.0°
C14C13H10119.7°120.1°
C15C16C17119.4°120.0°
C15C16H7120.3°120.0°
C24C23H5120.0°120.4°
C23C24H6121.1°120.8°
C13C12C17117.7°120.0°
C13C12C9120.9°120.0°
C12C13H10119.7°119.9°
C25NC6124.2°125.6°
C25NC5124.4°125.6°
NC25H17109.5°109.5°
NC25H18109.5°109.4°
NC25H19109.4°109.5°
OC8C6119.3°120.0°
OC8N1121.9°120.0°
C16C17C12121.8°120.0°
C17C16H7120.3°120.0°
C16C17H8119.1°120.0°
C17C12C9121.4°120.0°
C12C17H8119.1°120.0°
C12C9C11116.2°113.8°
C12C9N1111.7°113.0°
C12C9C10114.5°113.8°
C9C11O191.1°85.4°
C11C9N1113.9°113.8°
C11C9C1085.5°86.0°
C9C11H13113.9°113.9°
C9C11H14113.8°113.9°
C11O1C1091.7°93.4°
O1C11H13113.9°113.9°
O1C11H14113.8°113.8°
C6C8N1118.4°120.0°
C8C6N128.0°125.4°
C8C6C7124.4°125.4°
C8N1C9121.9°120.0°
C8N1H15119.1°120.0°
C6NC5111.4°108.8°
NC6C7107.5°109.1°
NC5C134.0°133.1°
NC5C4106.0°107.4°
N1C9C10112.7°113.8°
C9N1H15119.1°120.1°
C9C10O191.6°85.5°
C9C10H11113.7°113.9°
C9C10H12113.7°113.9°
O1C10H11113.7°113.8°
O1C10H12113.7°114.0°
C6C7C4106.6°107.7°
C6C7H16126.7°126.2°
C5CC1119.4°119.9°
CC5C4120.0°119.6°
C5CH20120.3°120.0°
CC1C2119.0°120.7°
C1CH20120.3°120.1°
CC1H21120.5°119.6°
C5C4C7108.5°107.0°
C5C4C3120.2°119.7°
C7C4C3131.3°133.3°
C4C7H16126.7°126.1°
C1C2C3121.3°120.4°
C1C2CL1125.5°119.8°
C2C1H21120.5°119.6°
C4C3C2120.0°119.7°
C4C3CL124.1°120.1°
C3C2CL1113.1°119.7°
C2C3CL115.9°120.2°
H11C10H12109.5°113.0°
H13C11H14109.5°113.2°
H17C25H18109.5°109.5°
H17C25H19109.5°109.5°
H18C25H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C21C20H3180.0°179.9°
C21N2C22C230.0°0.0°
N2C21C20C18178.8°180.0°
N2C21C20C241.6°0.2°
C21N2C22H4180.0°180.0°
C22N2C21C200.9°0.0°
N2C22C23H4180.0°180.0°
N2C22C23C240.1°0.2°
C22N2C21H3179.1°179.9°
N2C22C23H5179.8°180.0°
C21C20C18C24177.1°179.8°
C21C20C18C19132.1°126.8°
C21C20C18C15106.0°113.2°
C21C20C24C231.5°0.4°
C21C20C18H217.4°6.8°
C21C20C24H6178.5°179.7°
O3C19C18C2090.5°0.0°
O3C19C18O2179.5°180.0°
O3C19C18C15140.3°120.0°
O3C19O2H10.0°0.0°
O3C19C18H224.4°120.0°
C22C23C24C200.6°0.4°
C22C23C24H5180.0°179.8°
C22C23C24H6179.4°179.7°
C20C18C19C15129.2°119.9°
C20C18C19H2114.9°120.0°
C20C18C15H2123.4°120.0°
C20C18C19O289.1°180.0°
C20C18C15C14169.5°68.0°
C20C18C15C1611.9°112.4°
C18C20C24C23178.5°179.8°
C18C20C21H31.2°0.1°
C18C20C24H61.5°0.1°
C19C18C15H2115.8°120.1°
C19C18C20C2444.9°53.4°
C19C18C15C1469.8°52.0°
C19C18C15C16108.8°127.7°
C18C19O2H1179.5°180.0°
C15C18C20C2476.9°66.5°
C15C18C19O240.2°60.0°
C18C15C14C16178.7°179.6°
C18C15C14C13178.7°180.0°
C18C15C16C17179.1°180.0°
C18C15C16H70.9°0.1°
C18C15C14H91.3°0.0°
C20C24C23H6180.0°179.9°
C24C20C18H2159.7°173.4°
C24C20C21H3178.3°179.8°
C20C24C23H5179.4°179.8°
O2C19C18H2156.1°60.0°
C15C14C13H9180.0°180.0°
C15C14C13C120.6°0.0°
C14C15C16C170.6°0.4°
C14C15C18H246.1°172.0°
C14C15C16H7179.4°179.8°
C15C14C13H10179.4°180.0°
C13C14C15C160.0°0.3°
C14C13C12H10180.0°179.9°
C14C13C12C170.6°0.4°
C14C13C12C9179.0°180.0°
C15C16C17H7180.0°179.9°
C15C16C17C120.5°0.1°
C16C15C18H2135.4°7.6°
C15C16C17H8179.5°179.9°
C16C15C14H9180.0°179.7°
C24C23C22H4179.9°179.8°
C13C12C17C160.1°0.3°
C13C12C17C9179.6°179.7°
C13C12C9C1125.6°111.5°
C13C12C9N1158.6°20.3°
C13C12C9C1071.7°152.1°
C13C12C17H8179.9°179.7°
C12C13C14H9179.4°180.0°
C25NC6C82.3°0.1°
C25NC6C5179.9°180.0°
C25NC6C7179.6°179.8°
C25NC5C0.3°0.1°
C25NC5C4179.8°179.9°
NC25H17H18120.0°119.9°
NC25H17H19120.0°120.0°
NC25H18H19120.0°120.0°
OC8C6N1172.7°180.0°
OC8C6N23.3°5.6°
OC8N1C96.5°5.1°
OC8C6C7153.6°174.7°
OC8N1H15173.5°175.0°
C16C17C12H8180.0°180.0°
C16C17C12C9179.5°180.0°
C17C12C9C11154.0°68.8°
C17C12C9N121.0°159.4°
C17C12C9C10108.7°27.6°
C12C17C16H7179.5°179.9°
C17C12C13H10179.4°179.7°
C12C9C11N1132.0°131.4°
C12C9C11C10115.2°114.3°
C12C9C11O1113.8°136.8°
C12C9N1C861.6°180.0°
C12C9N1C10130.7°131.8°
C12C9C10O1115.4°136.8°
C9C12C17H80.5°0.1°
C9C12C13H101.0°0.1°
C12C9C10H111.5°22.7°
C12C9C10H12127.8°108.9°
C12C9C11H13129.4°109.1°
C12C9C11H143.0°22.7°
C12C9N1H15118.5°0.0°
C9C11O1H13116.8°114.1°
C9C11O1H14116.8°114.1°
C11C9N1C872.5°48.2°
C11C9N1C1095.3°96.4°
C9C11O1C101.5°24.1°
C11C9C10H11118.3°91.6°
C11C9C10H12115.5°136.8°
C9C11H13H14128.7°132.1°
C11C9N1H15107.5°131.8°
O1C11C9N1114.3°91.8°
C11O1C10H11118.4°90.1°
C11O1C10H12115.4°138.3°
O1C11H13H14128.7°132.1°
C8C6NC7177.3°179.7°
C8C6NC5177.8°180.0°
C6C8N1C9166.0°175.0°
C8C6C7C4178.0°179.9°
C6C8N1H1514.0°5.0°
C8C6C7H162.1°0.0°
N1C8C6N164.0°174.4°
C8N1C9H15180.0°180.0°
C8N1C9C10167.8°48.2°
N1C8C6C719.1°5.3°
C6NC5C179.8°180.0°
C6NC5C40.3°0.2°
NC6C7C40.5°0.2°
NC6C7H16179.5°179.7°
C6NC25H17180.0°94.5°
C6NC25H1860.0°145.5°
C6NC25H1960.0°25.5°
C5NC6C70.5°0.2°
NC5CC4179.5°179.8°
NC5CC1179.5°180.0°
NC5C4C70.1°0.1°
NC5C4C3179.7°179.9°
C5NC25H170.1°85.4°
C5NC25H18120.1°34.5°
C5NC25H19119.9°154.5°
NC5CH200.5°0.1°
N1C9C10O1115.4°91.8°
N1C9C10H11127.7°154.1°
N1C9C10H121.4°22.5°
N1C9C11H132.5°22.3°
N1C9C11H14129.0°154.2°
C9C10O1H11116.9°114.1°
C9C10O1H12116.9°114.2°
C9C10H11H12128.4°132.1°
C10C9C11H13115.4°136.6°
C10C9C11H14118.1°91.6°
C10C9N1H1512.2°131.8°
O1C10H11H12128.4°132.1°
C10O1C11H13115.3°138.2°
C10O1C11H14118.3°90.0°
C6C7C4C50.4°0.1°
C6C7C4H16180.0°179.9°
C6C7C4C3179.9°179.9°
C5CC1H20180.0°179.9°
CC5C4C7179.5°179.9°
C5CC1C20.0°0.1°
CC5C4C30.1°0.1°
C5CC1H21180.0°180.0°
C1CC5C40.0°0.2°
CC1C2H21180.0°179.9°
CC1C2C30.1°0.2°
CC1C2CL1179.8°180.0°
C5C4C7C3179.6°180.0°
C5C4C3C20.2°0.2°
C5C4C3CL179.5°179.9°
C5C4C7H16179.7°179.9°
C4C5CH20180.0°179.8°
C7C4C3C2179.4°179.8°
C7C4C3CL0.9°0.1°
C1C2C3C40.2°0.3°
C1C2C3CL1179.7°179.8°
C1C2C3CL179.5°179.7°
C2C1CH20180.0°180.0°
C4C3C2CL179.7°180.0°
C4C3C2CL1179.9°179.9°
C3C4C7H160.1°0.1°
C3C2C1H21179.9°179.7°
CL1C2C3CL0.2°0.1°
CL1C2C1H210.3°0.1°
H4C22C23H50.2°0.0°
H5C23C24H60.6°0.1°
H7C16C17H80.5°0.1°
H9C14C13H100.6°0.1°
H17C25H18H19120.0°120.1°
H20CC1H210.0°0.1°

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PDB entries from 2024-07-17

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