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13Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C3sing1.74Å1.67Å
C3C4doub1.38Å1.38ÅAromatic
C3C2sing1.38Å1.37ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C20C21sing1.53Å1.52Å
C20C19sing1.53Å1.54Å
C21C19sing1.53Å1.53Å
C2C1doub1.38Å1.38ÅAromatic
C5C6doub1.38Å1.38ÅAromatic
C1C6sing1.38Å1.39ÅAromatic
C19C18sing1.53Å1.55Å
C6C7sing1.51Å1.51Å
CL2C15sing1.74Å1.72Å
C18N1sing1.47Å1.49Å
C15C14doub1.38Å1.38ÅAromatic
C15C16sing1.38Å1.36ÅAromatic
C7N1sing1.46Å1.47Å
C7C11sing1.53Å1.53Å
N1C8sing1.33Å1.36Å
C14C12sing1.38Å1.40ÅAromatic
C16C17doub1.38Å1.37ÅAromatic
C12C11sing1.51Å1.51Å
C12C13doub1.38Å1.39ÅAromatic
C11C10sing1.53Å1.54Å
C17C13sing1.38Å1.38ÅAromatic
C8O1doub1.21Å1.26Å
C8C9sing1.50Å1.53Å
C10C9sing1.53Å1.53Å
C9C22sing1.53Å1.54Å
C22C23sing1.51Å1.50Å
C23O3sing1.34Å1.28Å
C23O2doub1.21Å1.25Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C4H3sing1.08Å1.08Å
C5H4sing1.08Å1.08Å
C7H5sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C13H10sing1.08Å1.08Å
C14H11sing1.08Å1.08Å
O3H23sing0.97Å0.95Å
C16H12sing1.08Å1.08Å
C17H13sing1.08Å1.08Å
C18H15sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C3C4120.6°120.0°
CL1C3C2117.9°120.1°
C4C3C2121.2°119.9°
C3C4C5119.4°120.0°
C3C4H3120.3°120.0°
C3C2C1119.0°120.0°
C3C2H2120.5°120.0°
C4C5C6119.7°120.0°
C5C4H3120.3°120.0°
C4C5H4120.1°120.0°
C21C20C1960.0°60.0°
C20C21C1960.6°60.0°
C21C20H18120.0°117.5°
C21C20H17120.0°117.5°
C20C21H20119.9°117.5°
C20C21H19119.9°117.5°
C20C19C2159.4°60.0°
C20C19C18113.6°117.5°
C20C19H16114.1°117.5°
C19C20H18120.0°117.5°
C19C20H17120.0°117.5°
C21C19C18128.5°117.5°
C21C19H16114.3°117.4°
C19C21H20119.9°117.6°
C19C21H19119.9°117.5°
C2C1C6120.4°120.0°
C2C1H1119.8°120.0°
C1C2H2120.5°120.0°
C5C6C1119.7°120.1°
C5C6C7118.0°120.0°
C6C5H4120.2°120.0°
C1C6C7121.8°119.9°
C6C1H1119.8°120.0°
C19C18N1108.4°109.5°
C19C18H15109.7°109.5°
C19C18H14109.7°109.4°
C18C19H16114.0°115.6°
C6C7N1113.1°109.3°
C6C7C11111.4°109.3°
C6C7H5105.5°109.3°
CL2C15C14126.8°120.0°
CL2C15C16116.2°120.0°
C18N1C7115.5°118.0°
C18N1C8120.9°117.9°
N1C18H15109.7°109.4°
N1C18H14109.7°109.5°
C14C15C16116.8°120.0°
C15C14C12120.7°120.0°
C15C14H11119.6°119.9°
C15C16C17123.3°120.0°
C15C16H12118.3°120.0°
N1C7C11114.6°110.5°
C7N1C8123.2°124.1°
N1C7H5106.0°109.3°
C7C11C12110.8°109.6°
C7C11C10108.0°108.7°
C11C7H5105.3°109.2°
C7C11H9107.1°109.6°
N1C8O1119.4°118.2°
N1C8C9119.7°123.5°
C14C12C11120.1°120.0°
C14C12C13119.5°120.0°
C12C14H11119.7°120.1°
C16C17C13119.2°120.0°
C17C16H12118.3°120.0°
C16C17H13120.4°120.0°
C11C12C13120.4°120.0°
C12C11C10116.3°109.6°
C12C11H9107.3°109.7°
C12C13C17118.5°120.0°
C12C13H10120.7°120.0°
C11C10C9108.1°108.4°
C11C10H8109.8°109.7°
C11C10H7109.8°109.7°
C10C11H9106.9°109.6°
C17C13H10120.7°120.0°
C13C17H13120.4°119.9°
O1C8C9121.0°118.3°
C8C9C10113.1°109.9°
C8C9C22112.7°109.4°
C8C9H6106.7°109.4°
C10C9C22110.4°109.4°
C10C9H6106.8°109.4°
C9C10H8109.8°109.7°
C9C10H7109.8°109.7°
C9C22C23113.7°109.5°
C22C9H6106.7°109.3°
C9C22H22108.4°109.4°
C9C22H21108.4°109.5°
C22C23O3114.9°120.0°
C22C23O2127.8°120.0°
C23C22H22108.4°109.5°
C23C22H21108.4°109.5°
O3C23O2117.2°120.0°
C23O3H23109.5°117.0°
H8C10H7109.5°109.7°
H15C18H14109.5°109.5°
H18C20H17109.5°115.6°
H20C21H19109.5°115.6°
H22C22H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C3C4C2174.5°179.9°
CL1C3C4C5169.3°180.0°
CL1C3C2C1175.8°180.0°
CL1C3C2H24.2°0.0°
CL1C3C4H310.8°0.1°
C3C4C5H3180.0°179.9°
C4C3C2C11.2°0.0°
C3C4C5C66.0°0.1°
C4C3C2H2178.8°179.9°
C3C4C5H4174.0°180.0°
C2C3C4C55.3°0.1°
C3C2C1H2180.0°180.0°
C3C2C1C66.9°0.0°
C3C2C1H1173.1°179.7°
C2C3C4H3174.7°180.0°
C4C5C6H4180.0°180.0°
C4C5C6C10.4°0.0°
C4C5C6C7172.9°179.7°
C21C20C19H18109.5°107.5°
C21C20C19H17109.5°107.5°
C20C21C19H20109.6°107.5°
C20C21C19H19109.7°107.4°
C21C20C19C18122.0°107.5°
C21C20C19H16105.0°107.4°
C21C20H18H17144.8°145.7°
C20C21H20H19144.4°145.7°
C20C19C18H16133.1°145.8°
C20C19C18N1110.3°175.6°
C20C19C18H159.5°64.5°
C20C19C18H14129.9°55.5°
C19C20H18H17144.7°145.7°
C21C19C18H16158.2°145.6°
C21C19C18N1179.1°115.8°
C21C19C18H1559.3°4.2°
C21C19C18H1461.1°124.2°
C19C21H20H19144.4°145.7°
C2C1C6C56.1°0.0°
C2C1C6H1180.0°179.7°
C2C1C6C7166.1°179.7°
C5C6C1C7172.2°179.7°
C5C6C7N1104.5°47.8°
C5C6C7C11124.7°73.2°
C5C6C1H1173.9°179.7°
C6C5C4H3174.0°180.0°
C5C6C7H510.9°167.4°
C1C6C7N183.1°132.5°
C1C6C7C1147.7°106.5°
C6C1C2H2173.1°180.0°
C1C6C5H4179.6°180.0°
C1C6C7H5161.4°12.9°
C19C18N1H15119.8°120.0°
C19C18N1H14119.8°120.0°
C19C18N1C7115.1°94.9°
C19C18N1C871.3°85.1°
C19C18H15H14120.5°120.0°
C18C19C20H18128.5°0.0°
C18C19C20H1712.6°145.0°
C18C19C21H2012.5°145.0°
C18C19C21H19153.2°0.1°
C6C7N1C1838.5°40.6°
C6C7N1C11129.1°120.3°
C6C7N1H5115.2°119.6°
C6C7C11H5113.9°119.5°
C6C7N1C8148.1°139.4°
C6C7C11C1253.2°69.2°
C6C7C11C10178.4°171.1°
C7C6C1H113.9°0.0°
C7C6C5H47.1°0.3°
C6C7C11H963.5°51.3°
CL2C15C14C16174.5°180.0°
CL2C15C14C12172.6°180.0°
CL2C15C16C17174.2°179.7°
CL2C15C14H117.4°0.0°
CL2C15C16H125.8°0.0°
C18N1C7C8173.4°180.0°
C18N1C7C11167.6°160.9°
C18N1C8O12.8°2.2°
C18N1C8C9177.9°177.8°
C18N1C7H576.7°79.0°
N1C18H15H14120.5°120.0°
N1C18C19H1622.7°29.8°
C15C14C12H11180.0°180.0°
C14C15C16C1710.6°0.3°
C15C14C12C11175.9°180.0°
C15C14C12C133.0°0.3°
C14C15C16H12169.3°180.0°
C16C15C14C1212.8°0.0°
C15C16C17H12180.0°179.8°
C15C16C17C131.7°0.3°
C16C15C14H11167.2°180.0°
C15C16C17H13178.3°180.0°
N1C7C11H5116.1°120.2°
N1C7C11C12176.8°170.5°
N1C7C11C1048.4°50.8°
C7N1C8O1175.9°177.8°
C7N1C8C94.9°2.2°
N1C7C11H966.5°69.0°
C7N1C18H154.7°25.1°
C7N1C18H14125.1°145.1°
C11C7N1C819.0°19.1°
C7C11C12C1484.8°59.7°
C7C11C12C10123.8°119.2°
C7C11C12H9116.6°120.4°
C7C11C12C1394.1°120.0°
C7C11C10H9114.9°119.8°
C7C11C10C964.3°67.6°
C7C11C10H8175.9°52.1°
C7C11C10H755.5°172.7°
N1C8O1C9179.2°180.0°
N1C8C9C1021.9°17.6°
N1C8C9C22104.3°102.6°
C8N1C7H596.7°101.0°
N1C8C9H6139.0°137.7°
C8N1C18H15168.9°155.0°
C8N1C18H1448.5°34.9°
C14C12C11C13178.9°179.7°
C14C12C11C10151.4°59.4°
C14C12C13C179.5°0.3°
C14C12C11H931.8°179.9°
C14C12C13H10170.5°179.7°
C16C17C13C1211.9°0.0°
C16C17C13H13180.0°179.7°
C16C17C13H10168.1°180.0°
C12C11C10H9119.8°120.5°
C11C12C13C17171.6°180.0°
C12C11C10C9170.4°172.7°
C12C11C7H560.7°50.3°
C12C11C10H850.6°67.6°
C12C11C10H769.8°53.0°
C11C12C13H108.4°0.0°
C11C12C14H114.1°0.0°
C13C12C11C1029.7°120.8°
C12C13C17H10180.0°180.0°
C13C12C11H9149.3°0.4°
C13C12C14H11177.0°179.7°
C12C13C17H13168.1°179.7°
C11C10C9C851.4°48.9°
C11C10C9H8119.8°119.7°
C11C10C9H7119.8°119.7°
C11C10C9C2275.9°71.2°
C10C11C7H567.7°69.4°
C11C10C9H6168.5°169.0°
C11C10H8H7120.6°120.5°
C13C17C16H12178.3°180.0°
O1C8C9C10158.9°162.4°
O1C8C9C2274.9°77.4°
O1C8C9H641.8°42.3°
C8C9C10C22127.3°120.1°
C8C9C10H6117.1°120.1°
C8C9C22H6116.8°119.8°
C8C9C22C23154.8°65.0°
C8C9C10H8171.2°70.8°
C8C9C10H768.3°168.6°
C8C9C22H2234.2°55.0°
C8C9C22H2184.6°175.0°
C10C9C22H6115.7°119.8°
C10C9C22C2377.6°174.6°
C9C10H8H7120.6°120.5°
C9C10C11H950.6°52.2°
C10C9C22H22161.8°65.4°
C10C9C22H2143.0°54.6°
C9C22C23H22120.6°120.0°
C9C22C23H21120.6°120.0°
C9C22C23O3179.4°179.9°
C9C22C23O23.9°0.0°
C22C9C10H843.9°169.0°
C22C9C10H7164.3°48.5°
C9C22H22H21118.1°120.0°
C22C23O3O2176.0°179.9°
C23C22C9H638.0°54.8°
C22C23O3H23176.0°180.0°
C23C22H22H21118.0°120.0°
O3C23C22H2260.0°60.0°
O3C23C22H2158.8°60.1°
O2C23O3H230.0°0.1°
O2C23C22H22124.5°119.9°
O2C23C22H21116.7°120.0°
H1C1C2H26.9°0.4°
H3C4C5H46.0°0.1°
H5C7C11H9177.5°170.8°
H6C9C10H871.7°49.3°
H6C9C10H748.7°71.2°
H6C9C22H2282.6°174.8°
H6C9C22H21158.7°65.2°
H8C10C11H969.2°171.9°
H7C10C11H9170.4°67.5°
H10C13C17H1311.9°0.3°
H12C16C17H131.7°0.3°
H15C18C19H16142.6°149.7°
H14C18C19H1697.1°90.2°
H16C19C20H184.5°145.1°
H16C19C20H17145.5°0.1°
H16C19C21H20145.6°0.1°
H16C19C21H194.9°145.0°
H18C20C21H20140.9°145.0°
H18C20C21H190.2°0.0°
H17C20C21H200.2°0.0°
H17C20C21H19140.9°145.0°

223532

PDB entries from 2024-08-07

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