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O69

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
C3C4doub1.36Å1.36ÅAromatic
C3C2sing1.39Å1.39ÅAromatic
C1C2sing1.51Å1.52Å
C1Nsing1.47Å1.47Å
O1C12doub1.22Å1.23Å
C4C5sing1.41Å1.42ÅAromatic
C2C11doub1.36Å1.37ÅAromatic
NC12sing1.35Å1.34Å
C12C13sing1.48Å1.50Å
C29C28doub1.36Å1.36ÅAromatic
C29C30sing1.39Å1.39ÅAromatic
C14C13doub1.39Å1.40ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C13C18sing1.40Å1.41ÅAromatic
C5C6doub1.40Å1.41ÅAromatic
C5C10sing1.42Å1.42ÅAromatic
C11C10sing1.41Å1.41ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C28C27sing1.40Å1.42ÅAromatic
C30C31doub1.36Å1.36ÅAromatic
C18N1sing1.38Å1.40ÅAromatic
C18C17doub1.41Å1.40ÅAromatic
C21C24sing1.54Å1.55Å
C21C22sing1.51Å1.49Å
C21C20sing1.54Å1.55Å
N2C23sing1.47Å1.45Å
N2C22sing1.35Å1.32Å
C6C7sing1.36Å1.36ÅAromatic
C24C19sing1.54Å1.53Å
C10C9doub1.41Å1.42ÅAromatic
C19N1sing1.46Å1.46Å
C19C20sing1.54Å1.54Å
C16C17sing1.40Å1.39ÅAromatic
N1C25sing1.37Å1.38ÅAromatic
C17N4sing1.36Å1.40ÅAromatic
C22Odoub1.21Å1.22Å
C27C26doub1.42Å1.42ÅAromatic
C27C32sing1.42Å1.42ÅAromatic
C31C32sing1.40Å1.42ÅAromatic
C25N4doub1.31Å1.32ÅAromatic
C25C26sing1.48Å1.49Å
C7C8doub1.39Å1.39ÅAromatic
C9C8sing1.36Å1.37ÅAromatic
C26C34sing1.39Å1.40ÅAromatic
C32C33doub1.40Å1.42ÅAromatic
C34N3doub1.32Å1.34ÅAromatic
C33N3sing1.31Å1.33ÅAromatic
C7H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
N2H3sing0.97Å1.00Å
C9H4sing1.08Å1.08Å
C1H5sing1.09Å1.10Å
C6H6sing1.08Å1.08Å
C4H7sing1.08Å1.08Å
C3H8sing1.08Å1.08Å
NH9sing0.97Å1.00Å
CH10sing1.09Å1.10Å
CH11sing1.09Å1.10Å
CH12sing1.09Å1.10Å
C11H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C19H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H25sing1.09Å1.10Å
C28H26sing1.08Å1.08Å
C29H27sing1.08Å1.08Å
C30H28sing1.08Å1.08Å
C31H29sing1.08Å1.08Å
C33H30sing1.08Å1.08Å
C34H31sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2112.5°109.5°
CC1N109.6°109.5°
CC1H5107.0°109.5°
C1CH10109.5°109.5°
C1CH11109.4°109.5°
C1CH12109.5°109.5°
C4C3C2121.3°121.0°
C3C4C5121.1°119.7°
C3C4H7119.4°120.2°
C4C3H8119.4°119.5°
C3C2C1119.4°119.5°
C3C2C11119.2°121.0°
C2C3H8119.3°119.5°
C2C1N112.7°109.4°
C1C2C11121.5°119.5°
C2C1H5107.1°109.5°
C1NC12121.3°120.0°
NC1H5107.7°109.4°
C1NH9119.3°120.0°
O1C12N121.5°120.0°
O1C12C13120.7°120.0°
C4C5C6123.0°121.3°
C4C5C10118.0°119.3°
C5C4H7119.4°120.1°
C2C11C10121.4°119.6°
C2C11H13119.3°120.2°
NC12C13117.7°120.0°
C12NH9119.4°120.0°
C12C13C14119.1°120.2°
C12C13C18122.2°120.3°
C28C29C30120.6°121.0°
C29C28C27121.2°119.5°
C29C28H26119.4°120.2°
C28C29H27119.7°119.5°
C29C30C31120.5°121.0°
C30C29H27119.7°119.5°
C29C30H28119.7°119.5°
C13C14C15121.0°120.3°
C14C13C18118.1°119.5°
C13C14H14119.5°119.9°
C14C15C16120.8°120.7°
C15C14H14119.5°119.8°
C14C15H15119.6°119.7°
C13C18N1134.3°133.9°
C13C18C17120.3°119.8°
C6C5C10119.0°119.4°
C5C6C7120.6°119.6°
C5C6H6119.7°120.2°
C5C10C11119.1°119.4°
C5C10C9118.4°119.3°
C11C10C9122.5°121.3°
C10C11H13119.3°120.2°
C15C16C17118.8°120.1°
C16C15H15119.6°119.6°
C15C16H16120.6°119.9°
C28C27C26124.6°122.1°
C28C27C32117.8°119.7°
C27C28H26119.4°120.3°
C30C31C32120.8°119.5°
C31C30H28119.7°119.5°
C30C31H29119.7°120.2°
N1C18C17105.3°106.4°
C18N1C19125.5°126.4°
C18N1C25106.3°107.3°
C18C17C16120.8°119.6°
C18C17N4110.1°107.2°
C24C21C22108.8°113.6°
C24C21C2088.8°87.1°
C21C24C1985.3°87.1°
C24C21H20113.4°113.6°
C21C24H24115.1°113.6°
C21C24H25115.2°113.6°
C22C21C20115.2°113.6°
C21C22N2115.7°120.0°
C21C22O121.3°120.0°
C22C21H20114.5°112.9°
C21C20C1985.1°87.1°
C21C20H18115.2°113.6°
C21C20H19115.2°113.7°
C20C21H20113.4°113.6°
C23N2C22121.8°120.0°
C23N2H3119.1°120.0°
N2C23H21109.5°109.4°
N2C23H22109.5°109.4°
N2C23H23109.5°109.4°
N2C22O122.9°120.0°
C22N2H3119.1°120.0°
C6C7C8120.6°121.0°
C6C7H1119.7°119.5°
C7C6H6119.7°120.2°
C24C19N1136.5°113.6°
C24C19C2090.2°87.1°
C24C19H1796.5°113.7°
C19C24H24115.1°113.6°
C19C24H25115.1°113.6°
C10C9C8120.7°119.7°
C10C9H4119.7°120.1°
N1C19C20128.9°113.6°
C19N1C25127.9°126.4°
N1C19H1796.8°112.8°
C20C19H1796.5°113.7°
C19C20H18115.2°113.6°
C19C20H19115.2°113.6°
C16C17N4129.0°133.2°
C17C16H16120.6°120.0°
N1C25N4113.1°109.7°
N1C25C26125.1°125.1°
C17N4C25105.1°109.5°
C26C27C32117.6°118.2°
C27C26C25121.6°120.9°
C27C26C34118.4°118.3°
C27C32C31119.1°119.3°
C27C32C33117.7°118.8°
C31C32C33123.2°121.9°
C32C31H29119.6°120.3°
N4C25C26121.7°125.2°
C25C26C34119.9°120.9°
C7C8C9120.6°121.0°
C8C7H1119.7°119.5°
C7C8H2119.7°119.5°
C9C8H2119.7°119.5°
C8C9H4119.6°120.2°
C26C34N3124.5°121.5°
C26C34H31117.7°119.2°
C32C33N3124.4°120.4°
C32C33H30117.8°119.8°
C34N3C33117.4°123.0°
N3C34H31117.8°119.3°
N3C33H30117.8°119.8°
H10CH11109.4°109.4°
H10CH12109.4°109.5°
H11CH12109.5°109.4°
H18C20H19109.5°112.8°
H21C23H22109.4°109.5°
H21C23H23109.4°109.5°
H22C23H23109.5°109.5°
H24C24H25109.5°112.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2C385.6°79.9°
CC1C2N124.4°120.0°
CC1C2H5117.3°120.1°
CC1NH5116.0°120.1°
CC1C2C1192.9°99.6°
CC1NC12146.9°85.0°
CC1NH933.1°94.9°
C1CH10H11120.0°120.0°
C1CH10H12120.0°120.0°
C1CH11H12120.0°120.0°
C4C3C2H8180.0°179.9°
C4C3C2C1177.3°179.9°
C3C4C5H7180.0°179.9°
C4C3C2C111.2°0.6°
C3C4C5C6179.5°179.9°
C3C4C5C100.4°0.4°
C3C2C1C11178.4°179.5°
C3C2C1N150.0°40.1°
C2C3C4C50.7°0.1°
C3C2C11C100.5°0.5°
C3C2C1H531.7°160.0°
C2C3C4H7179.3°180.0°
C3C2C11H13179.4°179.5°
C2C1NH5117.9°120.0°
C2C1NC1287.1°155.0°
C1C2C11C10177.9°180.0°
C1C2C3H82.7°0.0°
C2C1NH993.0°25.0°
C2C1CH10180.0°60.0°
C2C1CH1160.0°60.1°
C2C1CH1260.0°180.0°
C1C2C11H132.1°0.0°
C1NC12O11.5°0.0°
NC1C2C1131.6°140.4°
C1NC12H9180.0°180.0°
C1NC12C13177.6°180.0°
NC1CH1053.9°60.0°
NC1CH1166.1°180.0°
NC1CH12173.9°60.0°
O1C12NC13179.1°180.0°
O1C12C13C14132.6°171.9°
O1C12C13C1838.3°8.1°
O1C12NH9178.6°179.9°
C4C5C6C10179.1°179.5°
C4C5C10C110.9°0.4°
C4C5C6C7178.8°180.0°
C4C5C10C9178.9°179.8°
C4C5C6H61.2°0.5°
C5C4C3H8179.3°180.0°
C2C11C10C50.5°0.0°
C2C11C10H13180.0°180.0°
C2C11C10C9179.3°179.3°
C11C2C1H5149.8°20.5°
C11C2C3H8178.8°179.5°
NC12C13C1446.5°8.1°
NC12C13C18142.6°172.0°
C12NC1H530.9°35.0°
C12C13C14C18171.3°179.9°
C12C13C14C15168.0°180.0°
C12C13C18N116.1°0.1°
C12C13C18C17166.1°180.0°
C13C12NH92.3°0.0°
C12C13C14H1412.0°0.1°
C28C29C30H27180.0°180.0°
C29C28C27H26180.0°180.0°
C28C29C30C310.3°0.0°
C29C28C27C26179.3°179.9°
C29C28C27C320.1°0.0°
C28C29C30H28179.7°179.9°
C30C29C28C270.1°0.0°
C29C30C31H28180.0°180.0°
C29C30C31C320.1°0.0°
C30C29C28H26179.9°179.9°
C29C30C31H29179.9°180.0°
C13C14C15H14180.0°179.9°
C13C14C15C160.1°0.1°
C14C13C18N1172.9°180.0°
C14C13C18C174.9°0.0°
C13C14C15H15179.9°180.0°
C15C14C13C183.2°0.1°
C14C15C16H15180.0°180.0°
C14C15C16C171.7°0.0°
C14C15C16H16178.3°180.0°
C13C18N1C17178.1°180.0°
C13C18N1C196.1°0.2°
C13C18C17C163.4°0.0°
C13C18N1C25179.8°180.0°
C13C18C17N4179.1°180.0°
C18C13C14H14176.8°180.0°
C6C5C10C11179.9°180.0°
C5C6C7H6180.0°179.5°
C6C5C10C90.2°0.7°
C5C6C7C80.1°0.0°
C5C6C7H1180.0°179.7°
C6C5C4H70.5°0.0°
C5C10C11C9179.8°179.3°
C10C5C6C70.3°0.5°
C5C10C9C80.0°0.4°
C5C10C9H4180.0°179.5°
C10C5C6H6179.7°179.9°
C10C5C4H7179.6°179.5°
C5C10C11H13179.5°180.0°
C11C10C9C8179.8°179.8°
C11C10C9H40.2°0.2°
C15C16C17C180.0°0.0°
C15C16C17H16180.0°180.0°
C15C16C17N4177.0°180.0°
C16C15C14H14179.9°180.0°
C28C27C26C32179.2°179.9°
C28C27C32C310.3°0.1°
C28C27C26C251.5°0.0°
C28C27C26C34179.4°180.0°
C28C27C32C33179.5°180.0°
C27C28C29H27179.9°180.0°
C30C31C32C270.1°0.1°
C30C31C32H29180.0°180.0°
C30C31C32C33179.6°180.0°
C31C30C29H27179.8°180.0°
C18N1C19C24150.7°168.5°
C18N1C19C25172.8°179.7°
C18N1C19C2060.3°71.0°
N1C18C17C16175.0°180.0°
N1C18C17N42.5°0.0°
C18N1C25N41.1°0.0°
C18N1C25C26179.4°180.0°
C18N1C19H1743.7°60.2°
C17C18N1C19172.0°179.7°
C18C17C16N4177.0°180.0°
C17C18N1C252.1°0.0°
C18C17N4C251.8°0.0°
C18C17C16H16180.0°180.0°
C24C21C22C2097.8°97.5°
C24C21C22H20128.0°131.2°
C24C21C20H20115.0°114.6°
C24C21C22N2129.6°176.9°
C21C24C19H24115.6°114.6°
C21C24C19H25115.6°114.6°
C21C24C19N1179.1°140.0°
C24C21C20C1924.2°25.4°
C24C21C22O47.1°3.1°
C21C24C19H1772.0°89.2°
C24C21C20H1891.4°140.0°
C24C21C20H19139.7°89.1°
C21C24H24H25131.6°131.2°
C22C21C20H20134.7°130.9°
C21C22N2C23175.6°180.0°
C21C22N2O176.6°180.0°
C22C21C24C19140.5°140.0°
C22C21C20C19134.4°140.0°
C21C22N2H34.4°0.0°
C22C21C20H1818.9°105.4°
C22C21C20H19110.1°25.4°
C22C21C24H24103.9°25.4°
C22C21C24H2524.9°105.5°
C20C21C22N2132.6°79.4°
C21C20C19N1176.2°140.0°
C21C20C19H18115.6°114.5°
C21C20C19H19115.5°114.6°
C20C21C22O50.7°100.6°
C21C20C19H1772.1°89.2°
C21C20H18H19131.7°131.3°
C20C21C24H24139.8°89.2°
C20C21C24H2591.4°140.0°
C23N2C22H3180.0°180.0°
C23N2C22O1.1°0.0°
N2C23H21H22120.0°120.0°
N2C23H21H23120.0°119.9°
N2C23H22H23120.0°120.0°
N2C22C21H201.6°51.9°
C22N2C23H21180.0°180.0°
C22N2C23H2260.0°60.0°
C22N2C23H2360.0°60.0°
C6C7C8H1180.0°179.6°
C6C7C8C90.2°0.3°
C6C7C8H2179.8°179.8°
C24C19N1C20149.0°97.5°
C24C19N1H17107.0°131.3°
C24C19C20H1796.6°114.6°
C24C19N1C2536.5°11.2°
C24C19C20H1891.0°140.0°
C24C19C20H19140.1°89.2°
C19C24C21H2090.8°89.2°
C19C24H24H25131.6°131.2°
C10C9C8C70.2°0.1°
C10C9C8H4180.0°180.0°
C10C9C8H2179.8°180.0°
C9C10C11H130.6°0.7°
N1C19C20H17104.2°130.8°
C19N1C25N4172.8°179.7°
C19N1C25C265.5°0.3°
N1C19C20H1868.2°105.5°
N1C19C20H1960.7°25.3°
N1C19C24H2463.5°25.4°
N1C19C24H2565.3°105.5°
C20C19N1C25112.6°108.7°
C19C20H18H19131.7°131.2°
C19C20C21H2090.9°89.1°
C20C19C24H24140.1°89.2°
C20C19C24H2591.1°140.0°
C16C17N4C25175.4°180.0°
C17C16C15H15178.3°180.0°
N1C25N4C170.4°0.0°
N1C25C26C2767.5°107.7°
N1C25N4C26178.4°180.0°
N1C25C26C34114.6°72.3°
C25N1C19H17143.4°120.1°
C17N4C25C26178.0°180.0°
N4C17C16H163.0°0.0°
OC22N2H3179.0°180.0°
OC22C21H20175.1°128.2°
C26C27C32C31179.5°180.0°
C27C26C25N4114.3°72.3°
C27C26C25C34177.9°180.0°
C26C27C32C330.3°0.1°
C27C26C34N30.1°0.1°
C26C27C28H260.7°0.1°
C27C26C34H31179.9°180.0°
C27C32C31C33179.8°179.9°
C32C27C26C25177.7°179.9°
C32C27C26C340.2°0.1°
C27C32C33N30.2°0.1°
C32C27C28H26179.9°180.0°
C27C32C31H29179.9°180.0°
C27C32C33H30179.8°180.0°
C31C32C33N3179.6°180.0°
C32C31C30H28179.9°180.0°
C31C32C33H300.4°0.1°
N4C25C26C3463.6°107.7°
C25C26C34N3177.9°179.9°
C25C26C34H312.1°0.0°
C7C8C9H2180.0°179.9°
C7C8C9H4179.7°180.0°
C8C7C6H6180.0°179.4°
C9C8C7H1179.8°179.9°
C26C34N3H31180.0°179.9°
C26C34N3C330.0°0.2°
C32C33N3C340.1°0.2°
C32C33N3H30180.0°179.9°
C33C32C31H290.4°0.1°
C34N3C33H30179.9°180.0°
C33N3C34H31180.0°179.9°
H1C7C8H20.2°0.1°
H1C7C6H60.0°0.2°
H2C8C9H40.2°0.0°
H3N2C23H210.0°0.0°
H3N2C23H22120.0°120.0°
H3N2C23H23120.0°120.0°
H5C1NH9149.1°145.0°
H5C1CH1062.6°180.0°
H5C1CH11177.4°60.0°
H5C1CH1257.4°60.0°
H7C4C3H80.7°0.1°
H10CH11H12119.9°119.9°
H14C14C15H150.1°0.0°
H15C15C16H161.7°0.0°
H17C19C20H18172.4°25.3°
H17C19C20H1943.5°156.2°
H17C19C24H2443.6°156.2°
H17C19C24H25172.4°25.4°
H18C20C21H20153.6°25.5°
H19C20C21H2024.7°156.3°
H20C21C24H2424.8°156.3°
H20C21C24H25153.6°25.4°
H21C23H22H23120.0°120.1°
H26C28C29H270.1°0.0°
H27C29C30H280.2°0.0°
H28C30C31H290.1°0.0°

227111

PDB entries from 2024-11-06

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