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MZJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O30C29doub1.22Å1.22Å
C2N1doub1.32Å1.34ÅAromatic
C2N3sing1.32Å1.34ÅAromatic
C12N13sing1.47Å1.45Å
C12C11sing1.53Å1.51Å
C32C31doub1.33Å1.45Å
C29N13sing1.35Å1.33Å
C29C31sing1.47Å1.46Å
N1C6sing1.33Å1.35ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N13C14sing1.47Å1.46Å
C11C10sing1.53Å1.53Å
C14C15sing1.53Å1.53Å
C9C10sing1.53Å1.53Å
C9N8sing1.46Å1.46Å
C6N8sing1.38Å1.35Å
C6C5doub1.40Å1.48ÅAromatic
C4N7sing1.38Å1.35Å
C4C5sing1.40Å1.39ÅAromatic
C10C15sing1.53Å1.54Å
C5C16sing1.48Å1.50Å
C16C17doub1.39Å1.38ÅAromatic
C16C21sing1.39Å1.39ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C21C20doub1.38Å1.39ÅAromatic
C18C19doub1.39Å1.39ÅAromatic
C20C19sing1.39Å1.38ÅAromatic
C19O22sing1.36Å1.38Å
C24C25doub1.38Å1.45ÅAromatic
C24C23sing1.39Å1.34ÅAromatic
O22C23sing1.36Å1.46Å
C25C26sing1.38Å1.26ÅAromatic
C23C28doub1.39Å1.27ÅAromatic
C26C27doub1.38Å1.21ÅAromatic
C28C27sing1.38Å1.21ÅAromatic
C10H1sing1.09Å1.10Å
C15H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C17H4sing1.08Å1.08Å
C20H5sing1.08Å1.08Å
C21H6sing1.08Å1.08Å
C24H7sing1.08Å1.08Å
C26H8sing1.08Å1.08Å
C28H9sing1.08Å1.08Å
C31H10sing1.08Å1.08Å
C32H12sing1.08Å1.08Å
C32H13sing1.08Å1.08Å
C12H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
C9H22sing1.09Å1.10Å
N8H23sing0.97Å1.00Å
N7H24sing0.97Å1.00Å
N7H25sing0.97Å1.00Å
C2H26sing1.08Å1.08Å
C18H27sing1.08Å1.08Å
C27H28sing1.08Å1.08Å
C25H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O30C29N13123.4°119.9°
O30C29C31119.8°120.1°
N1C2N3122.3°122.2°
C2N1C6120.3°121.0°
N1C2H26118.8°118.9°
C2N3C4122.1°121.0°
N3C2H26118.9°118.9°
N13C12C11108.5°108.8°
C12N13C29122.8°120.6°
C12N13C14113.7°118.8°
N13C12H15109.7°109.6°
N13C12H16109.7°109.6°
C12C11C10113.9°109.3°
C11C12H15109.7°109.6°
C11C12H16109.7°109.6°
C12C11H17108.3°109.5°
C12C11H18108.4°109.5°
C32C31C29114.9°120.0°
C32C31H10122.6°120.0°
C31C32H12120.0°120.0°
C31C32H13120.0°120.0°
N13C29C31116.3°120.0°
C29N13C14123.5°120.6°
C29C31H10122.5°120.1°
N1C6N8117.3°120.6°
N1C6C5118.8°118.9°
N3C4N7119.7°120.6°
N3C4C5119.4°118.9°
N13C14C15111.4°108.8°
N13C14H19109.0°109.6°
N13C14H20109.0°109.6°
C11C10C9108.9°109.4°
C11C10C15113.4°109.5°
C11C10H1107.6°109.4°
C10C11H17108.4°109.5°
C10C11H18108.3°109.5°
C14C15C10119.2°109.3°
C14C15H2107.0°109.5°
C14C15H3107.0°109.6°
C15C14H19109.0°109.6°
C15C14H20109.0°109.5°
C10C9N8113.0°109.5°
C9C10C15111.6°109.5°
C9C10H1107.5°109.4°
C10C9H21108.6°109.5°
C10C9H22108.6°109.5°
C9N8C6117.8°120.0°
N8C9H21108.6°109.5°
N8C9H22108.6°109.5°
C9N8H23107.4°120.0°
N8C6C5123.9°120.5°
C6N8H23107.3°120.0°
C6C5C4117.0°118.0°
C6C5C16124.6°121.0°
N7C4C5120.8°120.6°
C4N7H24109.5°120.0°
C4N7H25109.4°120.0°
C4C5C16118.5°121.0°
C15C10H1107.5°109.5°
C10C15H2107.0°109.5°
C10C15H3107.0°109.5°
C5C16C17121.1°120.1°
C5C16C21119.5°120.1°
C17C16C21119.3°119.8°
C16C17C18119.9°120.0°
C16C17H4120.0°120.0°
C16C21C20120.8°119.9°
C16C21H6119.6°120.0°
C17C18C19120.5°120.0°
C18C17H4120.1°120.0°
C17C18H27119.7°120.0°
C21C20C19119.6°120.1°
C21C20H5120.2°120.0°
C20C21H6119.6°120.1°
C18C19C20119.8°120.2°
C18C19O22120.1°119.9°
C19C18H27119.7°120.0°
C20C19O22120.1°119.9°
C19C20H5120.2°119.9°
C19O22C23119.5°118.0°
C25C24C23114.7°119.9°
C24C25C26117.0°120.1°
C25C24H7122.6°120.1°
C24C25H29121.5°119.9°
C24C23O22120.8°120.0°
C24C23C28118.4°119.9°
C23C24H7122.7°120.1°
O22C23C28120.8°120.1°
C25C26C27122.0°120.1°
C25C26H8119.0°119.9°
C26C25H29121.5°120.0°
C23C28C27123.4°120.0°
C23C28H9118.3°120.0°
C26C27C28124.4°120.0°
C27C26H8119.0°119.9°
C26C27H28117.8°119.9°
C27C28H9118.3°120.0°
C28C27H28117.8°120.0°
H2C15H3109.5°109.5°
H12C32H13120.0°119.9°
H15C12H16109.5°109.7°
H17C11H18109.5°109.6°
H19C14H20109.5°109.7°
H21C9H22109.5°109.5°
H24N7H25109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O30C29N13C120.6°174.5°
O30C29C31C3229.9°4.9°
O30C29N13C31171.6°180.0°
O30C29N13C14177.8°5.4°
O30C29C31H10150.1°175.0°
N1C2N3H26180.0°180.0°
N1C2N3C40.5°0.0°
C2N1C6N8179.7°180.0°
C2N1C6C50.9°0.1°
N3C2N1C60.1°0.1°
C2N3C4N7179.0°180.0°
C2N3C4C50.3°0.0°
N13C12C11H15119.8°119.9°
N13C12C11H16119.9°119.8°
C12N13C29C14178.4°180.0°
C12N13C29C31172.2°5.4°
N13C12C11C1057.1°54.6°
C12N13C14C1553.6°53.5°
N13C12H15H16120.5°120.3°
N13C12C11H17177.7°174.5°
N13C12C11H1863.6°65.3°
C12N13C14H19173.9°173.3°
C12N13C14H2066.7°66.2°
C11C12N13C29114.1°126.4°
C11C12N13C1467.3°53.6°
C12C11C10H17120.6°119.9°
C12C11C10H18120.6°119.9°
C12C11C10C989.0°178.6°
C12C11C10C1535.9°61.3°
C12C11C10H1154.7°58.7°
C11C12H15H16120.4°120.3°
C12C11H17H18118.0°120.1°
C32C31C29N13142.0°175.1°
C32C31C29H10180.0°180.0°
C31C32H12H13180.0°179.9°
C29N13C14C15127.9°126.4°
N13C29C31H1038.0°5.0°
C29N13C12H15126.0°6.6°
C29N13C12H165.7°113.8°
C29N13C14H197.6°6.6°
C29N13C14H20111.8°113.8°
C31C29N13C146.2°174.6°
C29C31C32H12180.0°0.1°
C29C31C32H130.0°180.0°
N1C6N8C93.8°0.1°
N1C6N8C5179.4°179.9°
N1C6C5C41.1°0.1°
N1C6C5C16179.2°180.0°
N1C6N8H23117.3°180.0°
C6N1C2H26179.9°179.9°
N3C4C5C60.5°0.0°
N3C4N7C5178.7°180.0°
N3C4C5C16179.7°180.0°
N3C4N7H240.0°0.0°
N3C4N7H25120.0°180.0°
C4N3C2H26179.5°180.0°
N13C14C15H19120.3°119.9°
N13C14C15H20120.3°119.8°
N13C14C15C1031.2°54.6°
N13C14C15H290.2°65.3°
N13C14C15H3152.5°174.6°
C14N13C12H1552.5°173.4°
C14N13C12H16172.8°66.2°
N13C14H19H20119.1°120.4°
C11C10C15C1423.6°61.4°
C11C10C9C15126.0°120.1°
C11C10C9H1116.3°119.9°
C11C10C9N8175.0°64.9°
C11C10C15H1118.8°120.0°
C11C10C15H297.8°58.6°
C11C10C15H3145.0°178.6°
C10C11C12H1562.8°174.4°
C10C11C12H16176.9°65.2°
C10C11H17H18118.0°120.1°
C11C10C9H2164.5°175.1°
C11C10C9H2254.5°55.1°
C14C15C10C999.9°178.6°
C14C15C10H2121.4°119.9°
C14C15C10H3121.4°120.0°
C14C15C10H1142.4°58.7°
C14C15H2H3115.6°120.1°
C15C14H19H20119.1°120.3°
C10C9N8H21120.5°120.0°
C10C9N8H22120.5°120.0°
C10C9N8C6149.4°180.0°
C9C10C15H1117.7°120.0°
C9C10C15H2138.7°61.4°
C9C10C15H321.5°58.6°
C9C10C11H1731.7°58.7°
C9C10C11H18150.4°61.5°
C10C9H21H22118.4°120.0°
C10C9N8H2389.4°0.0°
C9N8C6H23121.2°180.0°
C9N8C6C5176.8°180.0°
N8C9C10C1559.0°175.0°
N8C9C10H158.6°55.0°
N8C9H21H22118.4°120.0°
N8C6C5C4179.5°180.0°
N8C6C5C160.2°0.1°
C6N8C9H2128.9°60.0°
C6N8C9H2290.1°60.0°
C6C5C4N7178.2°179.9°
C6C5C4C16179.8°180.0°
C6C5C16C1765.5°115.1°
C6C5C16C21117.1°65.0°
C5C6N8H2362.0°0.1°
N7C4C5C161.5°0.0°
C4N7H24H25120.0°180.0°
C4C5C16C17114.3°65.0°
C4C5C16C2163.1°115.0°
C5C4N7H24178.7°180.0°
C5C4N7H2561.3°0.0°
C10C15H2H3115.5°120.0°
C15C10C11H17156.6°178.7°
C15C10C11H1884.7°58.6°
C10C15C14H19151.5°174.5°
C10C15C14H2089.1°65.2°
C15C10C9H2161.5°55.0°
C15C10C9H22179.5°65.0°
C5C16C17C21177.4°180.0°
C5C16C17C18178.1°179.9°
C5C16C21C20178.4°180.0°
C5C16C17H41.8°0.2°
C5C16C21H61.6°0.2°
C16C17C18H4180.0°179.8°
C17C16C21C200.9°0.1°
C16C17C18C191.3°0.2°
C17C16C21H6179.0°179.7°
C16C17C18H27178.7°179.7°
C21C16C17C180.8°0.1°
C16C21C20H6180.0°179.8°
C16C21C20C191.6°0.2°
C21C16C17H4179.2°179.7°
C16C21C20H5178.4°179.8°
C17C18C19H27180.0°179.9°
C17C18C19C202.0°0.4°
C17C18C19O22180.0°180.0°
C21C20C19C182.1°0.5°
C21C20C19H5180.0°180.0°
C21C20C19O22179.9°180.0°
C18C19C20O22178.0°179.6°
C18C19O22C2368.4°75.9°
C19C18C17H4178.7°180.0°
C18C19C20H5177.9°179.5°
C20C19O22C23113.7°104.5°
C19C20C21H6178.4°180.0°
C20C19C18H27178.0°179.5°
C19O22C23C2413.8°4.8°
C19O22C23C28166.8°175.1°
O22C19C20H50.1°0.0°
O22C19C18H270.0°0.1°
C25C24C23H7180.0°179.7°
C25C24C23O22179.4°180.0°
C24C25C26H29180.0°180.0°
C25C24C23C280.0°0.0°
C24C25C26C272.4°0.0°
C24C25C26H8177.7°180.0°
C24C23O22C28179.4°179.9°
C23C24C25C261.7°0.0°
C24C23C28C271.3°0.0°
C24C23C28H9178.7°179.9°
C23C24C25H29178.3°180.0°
O22C23C28C27179.3°180.0°
O22C23C24H70.6°0.4°
O22C23C28H90.7°0.0°
C25C26C27H8180.0°180.0°
C25C26C27C281.2°0.0°
C26C25C24H7178.2°179.7°
C25C26C27H28178.8°180.0°
C23C28C27C260.8°0.0°
C23C28C27H9180.0°180.0°
C28C23C24H7180.0°179.7°
C23C28C27H28179.2°180.0°
C26C27C28H28180.0°180.0°
C26C27C28H9179.2°179.9°
C27C26C25H29177.6°180.0°
C28C27C26H8178.8°180.0°
H1C10C15H221.0°178.6°
H1C10C15H396.2°61.4°
H1C10C11H1784.6°61.3°
H1C10C11H1834.1°178.6°
H1C10C9H21179.2°65.0°
H1C10C9H2261.9°175.0°
H2C15C14H1930.1°54.5°
H2C15C14H20149.5°174.9°
H3C15C14H1987.2°65.6°
H3C15C14H2032.2°54.8°
H4C17C18H271.3°0.1°
H5C20C21H61.6°0.0°
H7C24C25H291.8°0.3°
H8C26C27H281.1°0.0°
H8C26C25H292.3°0.0°
H9C28C27H280.8°0.0°
H10C31C32H120.0°180.0°
H10C31C32H13180.0°0.0°
H15C12C11H1757.9°65.6°
H15C12C11H18176.6°54.6°
H16C12C11H1762.4°54.8°
H16C12C11H1856.3°174.9°
H21C9N8H23150.1°120.0°
H22C9N8H2331.1°120.0°

218500

PDB entries from 2024-04-17

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