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XXI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O33C31doub1.21Å1.25Å
C32C31sing1.51Å1.51Å
C31N19sing1.35Å1.42Å
N19C20sing1.47Å1.51Å
N19C18sing1.47Å1.51Å
C20C21sing1.53Å1.54Å
C18C17sing1.53Å1.55Å
C21C16sing1.53Å1.57Å
C17C16sing1.53Å1.57Å
N35C34trip1.14Å1.18Å
C16C1sing1.51Å1.50Å
C34C27sing1.43Å1.42Å
C1C2doub1.39Å1.43ÅAromatic
C1C6sing1.38Å1.41ÅAromatic
C2C3sing1.38Å1.38ÅAromatic
C27C28sing1.40Å1.43ÅAromatic
C27C26doub1.40Å1.43ÅAromatic
C6C5doub1.39Å1.41ÅAromatic
CL30C26sing1.74Å1.73Å
C28C29doub1.38Å1.40ÅAromatic
C26C25sing1.38Å1.41ÅAromatic
C3C4doub1.40Å1.45ÅAromatic
C5C4sing1.41Å1.44ÅAromatic
C5C10sing1.47Å1.49Å
C4N7sing1.36Å1.44Å
C29C23sing1.38Å1.41ÅAromatic
O11C10doub1.22Å1.23Å
C25C23doub1.38Å1.43ÅAromatic
C10N9sing1.35Å1.41Å
C23C22sing1.51Å1.51Å
N7C8doub1.30Å1.30Å
O15C13doub1.21Å1.23Å
N9C8sing1.36Å1.42Å
N9C12sing1.47Å1.47Å
C22N14sing1.47Å1.44Å
C13N14sing1.35Å1.37Å
C13C12sing1.51Å1.57Å
N14C24sing1.46Å1.49Å
C16H1sing1.09Å1.10Å
C17H2sing1.09Å1.10Å
C17H3sing1.09Å1.10Å
C18H4sing1.09Å1.10Å
C18H5sing1.09Å1.10Å
C20H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C25H15sing1.08Å1.08Å
C28H16sing1.08Å1.08Å
C2H17sing1.08Å1.08Å
C3H18sing1.08Å1.08Å
C6H19sing1.08Å1.08Å
C8H20sing1.08Å1.08Å
C12H21sing1.09Å1.10Å
C12H22sing1.09Å1.10Å
C29H23sing1.08Å1.08Å
C32H24sing1.09Å1.10Å
C32H25sing1.09Å1.10Å
C32H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O33C31C32119.9°120.0°
O33C31N19120.2°120.0°
C32C31N19119.9°120.0°
C31C32H24109.5°109.5°
C31C32H25109.5°109.5°
C31C32H26109.5°109.5°
C31N19C20119.8°120.6°
C31N19C18124.3°120.6°
C20N19C18115.6°118.7°
N19C20C21109.7°108.8°
N19C20H6109.4°109.6°
N19C20H7109.4°109.6°
N19C18C17108.6°108.8°
N19C18H4109.7°109.6°
N19C18H5109.7°109.6°
C20C21C16108.9°109.3°
C21C20H6109.4°109.6°
C21C20H7109.4°109.6°
C20C21H8109.6°109.5°
C20C21H9109.6°109.4°
C18C17C16110.3°109.3°
C18C17H2109.3°109.5°
C18C17H3109.2°109.5°
C17C18H4109.7°109.6°
C17C18H5109.7°109.6°
C21C16C17111.5°109.5°
C21C16C1108.1°109.5°
C21C16H1107.1°109.5°
C16C21H8109.6°109.6°
C16C21H9109.6°109.5°
C17C16C1114.8°109.5°
C17C16H1107.1°109.4°
C16C17H2109.3°109.5°
C16C17H3109.3°109.5°
N35C34C27179.1°179.9°
C16C1C2116.0°119.7°
C16C1C6123.4°119.7°
C1C16H1108.0°109.5°
C34C27C28118.6°120.1°
C34C27C26121.7°120.2°
C2C1C6120.3°120.6°
C1C2C3121.1°120.8°
C1C2H17119.5°119.6°
C1C6C5119.6°119.5°
C1C6H19120.2°120.2°
C2C3C4119.5°119.7°
C3C2H17119.5°119.6°
C2C3H18120.3°120.1°
C28C27C26119.7°119.7°
C27C28C29120.0°119.9°
C27C28H16120.0°120.1°
C27C26CL30120.0°120.1°
C27C26C25120.5°119.8°
C6C5C4120.0°120.1°
C6C5C10122.0°121.9°
C5C6H19120.2°120.2°
CL30C26C25119.5°120.1°
C28C29C23119.5°120.2°
C29C28H16120.0°120.1°
C28C29H23120.3°119.9°
C26C25C23118.3°120.2°
C26C25H15120.8°119.9°
C3C4C5119.4°119.3°
C3C4N7118.8°121.7°
C4C3H18120.3°120.2°
C4C5C10117.9°118.0°
C5C4N7121.7°119.0°
C5C10O11124.8°121.3°
C5C10N9116.0°117.3°
C4N7C8118.4°121.6°
C29C23C25121.9°120.3°
C29C23C22116.6°119.8°
C23C29H23120.2°119.9°
O11C10N9119.0°121.3°
C25C23C22121.4°119.9°
C23C25H15120.8°119.9°
C10N9C8121.9°120.6°
C10N9C12121.3°119.7°
C23C22N14110.5°109.5°
C23C22H10109.2°109.5°
C23C22H11109.2°109.4°
N7C8N9123.9°123.4°
N7C8H20118.0°118.3°
O15C13N14119.0°120.0°
O15C13C12121.8°120.0°
C8N9C12116.7°119.7°
N9C8H20118.0°118.3°
N9C12C13106.1°109.4°
N9C12H21110.3°109.5°
N9C12H22110.3°109.5°
C22N14C13116.7°120.0°
C22N14C24116.7°120.0°
N14C22H10109.2°109.5°
N14C22H11109.2°109.5°
N14C13C12119.2°120.0°
C13N14C24123.3°120.1°
C13C12H21110.3°109.5°
C13C12H22110.3°109.4°
N14C24H12109.5°109.4°
N14C24H13109.5°109.5°
N14C24H14109.5°109.4°
H2C17H3109.5°109.5°
H4C18H5109.5°109.6°
H6C20H7109.5°109.6°
H8C21H9109.5°109.5°
H10C22H11109.4°109.5°
H12C24H13109.5°109.5°
H12C24H14109.4°109.5°
H13C24H14109.5°109.5°
H21C12H22109.5°109.5°
H24C32H25109.5°109.5°
H24C32H26109.5°109.4°
H25C32H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O33C31C32N19179.9°180.0°
O33C31N19C203.9°5.6°
O33C31N19C18176.9°174.4°
O33C31C32H240.0°175.1°
O33C31C32H25120.0°55.1°
O33C31C32H26120.0°64.9°
C32C31N19C20175.9°174.4°
C32C31N19C182.9°5.5°
C31C32H24H25120.0°120.0°
C31C32H24H26120.0°120.0°
C31C32H25H26120.0°120.0°
C31N19C20C18173.6°180.0°
C31N19C20C21114.1°126.4°
C31N19C18C17115.4°126.4°
C31N19C18H44.4°113.8°
C31N19C18H5124.7°6.6°
C31N19C20H6125.9°6.6°
C31N19C20H75.9°113.7°
N19C31C32H24179.8°4.9°
N19C31C32H2560.2°124.9°
N19C31C32H2659.9°115.1°
N19C20C21H6120.0°119.8°
N19C20C21H7120.0°119.8°
C20N19C18C1757.9°53.6°
N19C20C21C1655.9°54.7°
C20N19C18H4177.7°66.2°
C20N19C18H562.0°173.4°
N19C20H6H7119.9°120.4°
N19C20C21H8175.8°65.4°
N19C20C21H964.0°174.6°
C18N19C20C2159.5°53.6°
N19C18C17H4119.9°119.8°
N19C18C17H5119.9°119.9°
N19C18C17C1654.3°54.7°
N19C18C17H265.8°174.6°
N19C18C17H3174.4°65.3°
N19C18H4H5120.4°120.4°
C18N19C20H660.6°173.4°
C18N19C20H7179.5°66.2°
C20C21C16H8119.9°120.0°
C20C21C16H9119.9°119.9°
C20C21C16C1756.7°61.4°
C20C21C16C1176.3°178.6°
C20C21C16H160.2°58.6°
C21C20H6H7119.9°120.4°
C20C21H8H9120.3°120.0°
C18C17C16C2156.5°61.4°
C18C17C16H2120.1°119.9°
C18C17C16H3120.1°120.0°
C18C17C16C1179.8°178.6°
C18C17C16H160.4°58.6°
C18C17H2H3119.6°120.1°
C17C18H4H5120.4°120.3°
C21C16C17C1123.3°120.0°
C21C16C17H1116.9°120.0°
C21C16C1H1115.6°120.0°
C21C16C1C270.3°60.0°
C21C16C1C6103.9°120.1°
C21C16C17H263.6°178.7°
C21C16C17H3176.6°58.6°
C16C21C20H664.1°174.5°
C16C21C20H7175.9°65.2°
C16C21H8H9120.3°120.1°
C17C16C1H1119.3°119.9°
C17C16C1C2164.6°60.0°
C17C16C1C621.2°119.9°
C16C17H2H3119.7°120.1°
C16C17C18H4174.2°65.1°
C16C17C18H565.6°174.5°
C17C16C21H8176.6°58.6°
C17C16C21H963.2°178.7°
N35C34C27C28110.0°98.1°
N35C34C27C2671.0°82.2°
C16C1C2C6174.5°179.9°
C16C1C2C3171.4°180.0°
C16C1C6C5171.0°180.0°
C1C16C17H259.7°58.7°
C1C16C17H360.1°61.4°
C1C16C21H856.4°61.4°
C1C16C21H963.8°58.7°
C16C1C2H178.6°0.1°
C16C1C6H199.0°0.1°
C34C27C28C26179.0°179.7°
C34C27C26CL302.1°0.3°
C34C27C28C29179.4°179.9°
C34C27C26C25179.1°179.7°
C34C27C28H160.6°0.3°
C1C2C3H17180.0°179.9°
C2C1C6C53.0°0.1°
C1C2C3C40.4°0.0°
C2C1C16H145.2°179.9°
C1C2C3H18179.6°180.0°
C2C1C6H19177.0°180.0°
C6C1C2C33.1°0.1°
C1C6C5H19180.0°179.9°
C1C6C5C40.5°0.0°
C1C6C5C10178.2°180.0°
C6C1C16H1140.5°0.0°
C6C1C2H17176.9°180.0°
C2C3C4H18180.0°180.0°
C2C3C4C52.1°0.0°
C2C3C4N7176.0°180.0°
C28C27C26CL30176.9°180.0°
C27C28C29H16180.0°179.8°
C28C27C26C250.1°0.0°
C27C28C29C230.9°0.5°
C27C28C29H23179.1°180.0°
C27C26CL30C25177.1°180.0°
C26C27C28C290.4°0.2°
C27C26C25C230.4°0.0°
C27C26C25H15179.5°180.0°
C26C27C28H16179.6°180.0°
C6C5C4C32.1°0.0°
C6C5C4C10178.7°180.0°
C6C5C4N7176.0°180.0°
C6C5C10O118.1°0.3°
C6C5C10N9175.9°180.0°
CL30C26C25C23176.6°180.0°
CL30C26C25H153.4°0.0°
C28C29C23H23180.0°179.5°
C28C29C23C251.2°0.5°
C28C29C23C22175.6°179.7°
C26C25C23C291.0°0.3°
C26C25C23H15180.0°180.0°
C26C25C23C22175.7°180.0°
C3C4C5N7178.1°180.0°
C3C4C5C10179.2°180.0°
C3C4N7C8178.5°179.9°
C4C3C2H17179.6°179.9°
C4C5C10O11173.3°179.7°
C4C5C10N92.8°0.0°
C5C4N7C80.4°0.0°
C5C4C3H18177.9°180.0°
C4C5C6H19179.6°180.0°
C10C5C4N72.7°0.0°
C5C10O11N9176.0°179.7°
C5C10N9C80.8°0.0°
C5C10N9C12176.4°179.9°
C10C5C6H191.8°0.0°
C4N7C8N91.8°0.0°
N7C4C3H184.0°0.0°
C4N7C8H20178.2°179.9°
C29C23C25C22176.7°179.7°
C29C23C22N14151.1°90.3°
C29C23C22H1031.0°29.7°
C29C23C22H1188.7°149.7°
C29C23C25H15179.0°179.7°
C23C29C28H16179.1°179.7°
O11C10N9C8175.5°179.7°
O11C10N9C127.2°0.3°
C25C23C22N1432.0°90.0°
C25C23C22H10152.2°150.0°
C25C23C22H1188.2°30.0°
C25C23C29H23178.8°180.0°
C10N9C8N71.6°0.0°
C10N9C8C12177.4°180.0°
C10N9C12C1369.4°90.0°
C10N9C8H20178.4°179.9°
C10N9C12H2150.1°30.0°
C10N9C12H22171.1°150.0°
C23C22N14H10120.2°120.0°
C23C22N14H11120.2°120.0°
C23C22N14C1384.3°90.0°
C23C22N14C24115.6°90.0°
C23C22H10H11119.5°120.0°
C22C23C25H154.3°0.0°
C22C23C29H234.4°0.2°
N7C8N9H20180.0°179.9°
N7C8N9C12179.0°180.0°
O15C13C12N926.0°0.0°
O15C13N14C227.6°0.0°
O15C13N14C12179.4°180.0°
O15C13N14C24166.3°180.0°
O15C13C12H21145.5°120.0°
O15C13C12H2293.5°120.0°
C8N9C12C13108.0°90.0°
C8N9C12H21132.6°150.0°
C8N9C12H2211.5°30.0°
N9C12C13N14153.4°180.0°
N9C12C13H21119.5°120.0°
N9C12C13H22119.5°120.0°
C12N9C8H201.0°0.1°
N9C12H21H22121.6°120.0°
C22N14C13C24158.7°180.0°
C22N14C13C12172.9°180.0°
N14C22H10H11119.5°120.0°
C22N14C24H12180.0°90.0°
C22N14C24H1360.0°30.0°
C22N14C24H1460.0°150.0°
C13N14C22H1035.9°30.0°
C13N14C22H11155.5°150.0°
C13N14C24H1221.3°90.0°
C13N14C24H1398.7°150.0°
C13N14C24H14141.3°29.9°
N14C13C12H2134.0°60.0°
N14C13C12H2287.1°60.0°
C12C13N14C2414.2°0.1°
C13C12H21H22121.5°120.0°
C24N14C22H10124.3°150.0°
C24N14C22H114.6°30.0°
N14C24H12H13120.0°120.0°
N14C24H12H14120.0°119.9°
N14C24H13H14120.0°120.0°
H1C16C17H2179.5°61.3°
H1C16C17H359.7°178.7°
H1C16C21H859.7°178.6°
H1C16C21H9179.9°61.3°
H2C17C18H454.0°54.8°
H2C17C18H5174.3°65.5°
H3C17C18H465.7°174.9°
H3C17C18H554.5°54.5°
H6C20C21H855.8°54.4°
H6C20C21H9176.0°65.6°
H7C20C21H864.2°174.8°
H7C20C21H956.0°54.7°
H12C24H13H14120.0°120.0°
H16C28C29H230.9°0.2°
H17C2C3H180.4°0.1°
H24C32H25H26120.0°120.0°

248942

PDB entries from 2026-02-11

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