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54S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC17sing1.74Å1.73Å
C17C18doub1.38Å1.38ÅAromatic
C17C16sing1.39Å1.39ÅAromatic
C18C13sing1.38Å1.39ÅAromatic
C23C24doub1.38Å1.38ÅAromatic
C23C22sing1.38Å1.38ÅAromatic
C24C19sing1.39Å1.39ÅAromatic
C22C21doub1.38Å1.38ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
C19C20doub1.39Å1.39ÅAromatic
C19C16sing1.48Å1.49Å
C16C15doub1.39Å1.39ÅAromatic
C13C12sing1.51Å1.51Å
C13C14doub1.38Å1.39ÅAromatic
C12N2sing1.47Å1.46Å
C15C14sing1.38Å1.38ÅAromatic
N2C11sing1.47Å1.46Å
C11C10sing1.53Å1.51Å
O3C9doub1.21Å1.23Å
C10C9sing1.51Å1.51Å
C9N1sing1.35Å1.33Å
N1C8sing1.47Å1.46Å
C8C7sing1.53Å1.51Å
C7C6sing1.51Å1.51Å
C6Nsing1.35Å1.35Å
C6O2doub1.21Å1.23Å
NC5sing1.40Å1.42Å
C5C25doub1.39Å1.39ÅAromatic
C5C4sing1.39Å1.39ÅAromatic
C25C1sing1.39Å1.39ÅAromatic
O1Cdoub1.22Å1.22Å
C4C3doub1.38Å1.38ÅAromatic
C1Csing1.48Å1.49Å
C1C2doub1.40Å1.39ÅAromatic
COsing1.35Å1.30Å
C3C2sing1.38Å1.38ÅAromatic
C11H1sing1.09Å1.10Å
C11H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C14H5sing1.08Å1.08Å
C18H6sing1.08Å1.08Å
C20H7sing1.08Å1.08Å
C21H8sing1.08Å1.08Å
C22H9sing1.08Å1.08Å
C23H10sing1.08Å1.08Å
C24H11sing1.08Å1.08Å
C15H12sing1.08Å1.08Å
N2H13sing1.01Å1.00Å
C10H15sing1.09Å1.10Å
C10H16sing1.09Å1.10Å
N1H17sing0.97Å1.00Å
C8H18sing1.09Å1.10Å
C8H19sing1.09Å1.10Å
C7H20sing1.09Å1.10Å
C7H21sing1.09Å1.10Å
NH22sing0.97Å1.00Å
C4H23sing1.08Å1.08Å
C3H24sing1.08Å1.08Å
C2H25sing1.08Å1.08Å
C25H26sing1.08Å1.08Å
OH27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC17C18117.9°120.1°
CLC17C16120.4°120.1°
C18C17C16121.7°119.8°
C17C18C13120.3°120.1°
C17C18H6119.8°119.9°
C17C16C19123.8°120.1°
C17C16C15117.6°119.8°
C18C13C12120.5°119.8°
C18C13C14118.3°120.3°
C13C18H6119.8°120.0°
C24C23C22120.3°120.2°
C23C24C19120.8°119.8°
C24C23H10119.9°119.9°
C23C24H11119.6°120.1°
C23C22C21119.7°120.3°
C23C22H9120.1°119.9°
C22C23H10119.9°119.9°
C24C19C20118.0°119.8°
C24C19C16121.0°120.1°
C19C24H11119.6°120.1°
C22C21C20120.3°120.1°
C22C21H8119.8°120.0°
C21C22H9120.2°119.9°
C21C20C19120.8°119.9°
C21C20H7119.6°120.0°
C20C21H8119.8°119.9°
C20C19C16120.9°120.1°
C19C20H7119.6°120.1°
C19C16C15118.6°120.1°
C16C15C14120.7°119.9°
C16C15H12119.6°120.0°
C12C13C14121.2°119.9°
C13C12N2113.0°109.4°
C13C12H3108.6°109.5°
C13C12H4108.6°109.5°
C13C14C15121.4°120.1°
C13C14H5119.3°120.0°
C12N2C11112.7°111.0°
N2C12H3108.6°109.5°
N2C12H4108.6°109.5°
C12N2H13108.7°111.0°
C15C14H5119.3°119.9°
C14C15H12119.6°120.1°
N2C11C10112.4°109.5°
N2C11H1108.7°109.4°
N2C11H2108.7°109.5°
C11N2H13108.6°111.0°
C11C10C9112.4°109.4°
C10C11H1108.7°109.5°
C10C11H2108.7°109.5°
C11C10H15108.8°109.5°
C11C10H16108.7°109.5°
O3C9C10121.4°120.0°
O3C9N1122.6°120.0°
C10C9N1116.0°120.0°
C9C10H15108.7°109.5°
C9C10H16108.7°109.5°
C9N1C8122.9°120.0°
C9N1H17118.6°120.0°
N1C8C7112.1°109.5°
C8N1H17118.6°120.0°
N1C8H18108.8°109.5°
N1C8H19108.8°109.4°
C8C7C6112.4°109.5°
C7C8H18108.8°109.5°
C7C8H19108.8°109.5°
C8C7H20108.8°109.5°
C8C7H21108.7°109.5°
C7C6N114.3°120.0°
C7C6O2121.8°120.0°
C6C7H20108.7°109.5°
C6C7H21108.7°109.4°
NC6O2123.9°120.0°
C6NC5128.1°120.0°
C6NH22116.0°120.0°
NC5C25118.5°120.1°
NC5C4121.5°120.0°
C5NH22116.0°120.0°
C25C5C4119.8°120.0°
C5C25C1120.4°119.8°
C5C25H26119.8°120.1°
C5C4C3119.8°120.2°
C5C4H23120.1°119.9°
C25C1C119.7°120.1°
C25C1C2119.3°119.8°
C1C25H26119.8°120.1°
O1CC1121.6°120.0°
O1CO123.3°120.0°
C4C3C2120.4°120.2°
C3C4H23120.1°119.9°
C4C3H24119.8°119.8°
CC1C2120.8°120.1°
C1CO115.1°120.0°
C1C2C3120.2°119.9°
C1C2H25119.9°120.1°
COH27109.5°117.0°
C2C3H24119.8°119.9°
C3C2H25119.9°120.0°
H1C11H2109.4°109.5°
H3C12H4109.5°109.5°
H15C10H16109.5°109.5°
H18C8H19109.5°109.5°
H20C7H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC17C18C16179.9°179.8°
CLC17C18C13179.6°180.0°
CLC17C16C191.5°0.1°
CLC17C16C15179.6°179.8°
CLC17C18H60.4°0.1°
C17C18C13H6180.0°179.9°
C18C17C16C19178.7°179.9°
C18C17C16C150.3°0.3°
C17C18C13C12179.6°179.9°
C17C18C13C140.1°0.2°
C16C17C18C130.2°0.1°
C17C16C19C2434.4°130.0°
C17C16C19C20147.1°49.7°
C17C16C19C15179.0°179.8°
C17C16C15C140.2°0.2°
C16C17C18H6179.7°180.0°
C17C16C15H12179.8°179.9°
C18C13C12C14179.6°179.7°
C18C13C12N2153.9°90.3°
C18C13C14C150.0°0.3°
C18C13C12H333.3°29.7°
C18C13C12H485.6°149.7°
C18C13C14H5179.9°179.8°
C24C23C22H10180.0°179.4°
C23C24C19H11180.0°179.4°
C24C23C22C210.3°0.3°
C23C24C19C200.3°0.6°
C23C24C19C16178.2°179.7°
C24C23C22H9179.7°179.7°
C22C23C24C190.0°0.6°
C23C22C21H9180.0°179.9°
C23C22C21C200.3°0.0°
C23C22C21H8179.7°179.9°
C22C23C24H11180.0°180.0°
C24C19C20C210.3°0.3°
C24C19C20C16178.5°179.7°
C24C19C16C15144.6°50.3°
C24C19C20H7179.7°179.8°
C19C24C23H10180.0°180.0°
C22C21C20H8180.0°180.0°
C22C21C20C190.0°0.0°
C22C21C20H7180.0°180.0°
C21C22C23H10179.7°179.7°
C21C20C19H7180.0°180.0°
C21C20C19C16178.2°180.0°
C20C21C22H9179.7°179.9°
C20C19C16C1533.9°130.1°
C19C20C21H8180.0°180.0°
C20C19C24H11179.6°180.0°
C19C16C15C14178.8°180.0°
C16C19C20H71.8°0.1°
C16C19C24H111.8°0.4°
C19C16C15H121.2°0.2°
C16C15C14C130.0°0.1°
C16C15C14H12180.0°179.8°
C16C15C14H5180.0°180.0°
C13C12N2H3120.6°120.0°
C13C12N2H4120.5°120.0°
C12C13C14C15179.7°180.0°
C13C12N2C11170.0°180.0°
C13C12H3H4118.4°120.0°
C12C13C14H50.3°0.1°
C12C13C18H60.4°0.0°
C13C12N2H1349.5°56.0°
C14C13C12N226.5°90.0°
C13C14C15H5180.0°179.9°
C14C13C12H3147.1°150.0°
C14C13C12H494.0°29.9°
C14C13C18H6179.9°179.7°
C13C14C15H12180.0°179.7°
C12N2C11H13120.5°124.0°
C12N2C11C10179.6°180.0°
C12N2C11H159.9°60.0°
C12N2C11H259.1°60.0°
N2C12H3H4118.3°120.0°
N2C11C10H1120.5°120.0°
N2C11C10H2120.5°120.0°
N2C11C10C9175.5°180.0°
N2C11H1H2118.6°119.9°
C11N2C12H369.5°60.0°
C11N2C12H449.5°60.0°
N2C11C10H1564.1°60.0°
N2C11C10H1655.0°60.0°
C11C10C9O339.7°0.0°
C11C10C9H15120.5°120.0°
C11C10C9H16120.4°120.0°
C11C10C9N1140.6°180.0°
C10C11H1H2118.6°120.0°
C10C11N2H1359.1°56.0°
C11C10H15H16118.7°120.0°
O3C9C10N1179.7°180.0°
O3C9N1C818.2°0.1°
O3C9C10H1580.8°120.0°
O3C9C10H16160.1°120.0°
O3C9N1H17161.8°180.0°
C10C9N1C8162.2°180.0°
C9C10C11H155.0°60.0°
C9C10C11H264.1°60.0°
C9C10H15H16118.6°120.0°
C10C9N1H1717.9°0.1°
C9N1C8H17180.0°179.9°
C9N1C8C7114.5°180.0°
N1C9C10H1598.9°60.0°
N1C9C10H1620.2°60.1°
C9N1C8H18125.2°59.9°
C9N1C8H195.9°60.0°
N1C8C7H18120.4°120.0°
N1C8C7H19120.4°120.0°
N1C8C7C652.4°180.0°
N1C8H18H19118.8°119.9°
N1C8C7H20172.8°60.0°
N1C8C7H2168.0°60.0°
C8C7C6H20120.5°120.0°
C8C7C6H21120.4°120.0°
C8C7C6N149.6°180.0°
C8C7C6O229.5°0.1°
C7C8N1H1765.5°0.1°
C7C8H18H19118.8°120.0°
C8C7H20H21118.7°120.0°
C7C6NO2179.1°179.9°
C7C6NC5175.1°175.4°
C6C7C8H1868.0°60.0°
C6C7C8H19172.8°60.0°
C6C7H20H21118.7°120.0°
C7C6NH224.9°4.6°
C6NC5H22180.0°180.0°
C6NC5C25171.4°35.1°
C6NC5C43.4°144.6°
NC6C7H2090.0°59.9°
NC6C7H2129.1°60.0°
O2C6NC55.8°4.7°
O2C6C7H2090.9°120.0°
O2C6C7H21150.0°120.0°
O2C6NH22174.2°175.4°
NC5C25C4174.9°179.7°
NC5C25C1172.8°179.7°
NC5C4C3173.8°180.0°
NC5C4H236.2°0.0°
NC5C25H267.2°0.0°
C5C25C1H26180.0°179.7°
C25C5C4C30.9°0.3°
C5C25C1C173.5°180.0°
C5C25C1C21.8°0.6°
C25C5NH228.6°144.9°
C25C5C4H23179.1°179.7°
C4C5C25C12.1°0.6°
C5C4C3H23180.0°180.0°
C5C4C3C20.5°0.1°
C4C5NH22176.6°35.4°
C5C4C3H24179.5°180.0°
C4C5C25H26177.9°179.8°
C25C1CO110.1°0.0°
C25C1CC2175.2°179.4°
C25C1CO171.4°180.0°
C25C1C2C30.4°0.3°
C25C1C2H25179.6°179.7°
O1CC1O178.5°180.0°
O1CC1C2174.7°179.4°
O1COH270.0°0.0°
C4C3C2C10.7°0.1°
C4C3C2H24180.0°179.9°
C4C3C2H25179.2°179.9°
CC1C2C3174.8°179.7°
CC1C2H255.2°0.3°
CC1C25H266.5°0.3°
C1COH27178.5°180.0°
C2C1CO3.8°0.5°
C1C2C3H25180.0°180.0°
C1C2C3H24179.3°180.0°
C2C1C25H26178.2°179.8°
C2C3C4H23179.5°179.9°
H1C11N2H13179.6°176.0°
H1C11C10H15175.5°180.0°
H1C11C10H1665.4°60.0°
H2C11N2H1361.3°64.0°
H2C11C10H1556.4°60.0°
H2C11C10H16175.5°180.0°
H3C12N2H13170.1°176.0°
H4C12N2H1371.0°64.0°
H5C14C15H120.0°0.2°
H7C20C21H80.0°0.0°
H8C21C22H90.3°0.0°
H9C22C23H100.3°0.4°
H10C23C24H110.0°0.6°
H17N1C8H1854.9°120.0°
H17N1C8H19174.1°120.0°
H18C8C7H2052.4°180.0°
H18C8C7H21171.6°60.0°
H19C8C7H2066.8°60.0°
H19C8C7H2152.4°180.0°
H23C4C3H240.5°0.0°
H24C3C2H250.7°0.0°

222415

PDB entries from 2024-07-10

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