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0RS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N7C22doub1.31Å1.34ÅAromatic
N7C21sing1.32Å1.35ÅAromatic
C22C23sing1.40Å1.41ÅAromatic
C21C20doub1.38Å1.42ÅAromatic
C23C24doub1.40Å1.41ÅAromatic
C23C28sing1.42Å1.42ÅAromatic
C24C25sing1.36Å1.41ÅAromatic
C20C28sing1.42Å1.43ÅAromatic
C20C18sing1.48Å1.48Å
C28C27doub1.40Å1.43ÅAromatic
N6C18doub1.33Å1.34ÅAromatic
N6C17sing1.32Å1.35ÅAromatic
C25C26doub1.39Å1.41ÅAromatic
C18C19sing1.39Å1.40ÅAromatic
C17C16doub1.38Å1.40ÅAromatic
C27C26sing1.36Å1.41ÅAromatic
C19C15doub1.40Å1.41ÅAromatic
C16C15sing1.40Å1.40ÅAromatic
C15C14sing1.48Å1.49Å
C14C12sing1.48Å1.52Å
C14O1doub1.21Å1.22Å
N3C12sing1.37Å1.34ÅAromatic
N3C11sing1.38Å1.38ÅAromatic
C12N4doub1.31Å1.36ÅAromatic
C10C11doub1.39Å1.41ÅAromatic
C10C9sing1.37Å1.41ÅAromatic
C11C13sing1.41Å1.42ÅAromatic
N4C13sing1.34Å1.38ÅAromatic
C9C8doub1.40Å1.42ÅAromatic
C13N5doub1.34Å1.36ÅAromatic
C8N5sing1.32Å1.36ÅAromatic
C8N2sing1.39Å1.36Å
N2C6sing1.47Å1.46Å
N2C5sing1.47Å1.46Å
C6C7sing1.53Å1.54Å
C7C3sing1.53Å1.55Å
C5C4sing1.53Å1.54Å
C2N1sing1.47Å1.47Å
C4C3sing1.53Å1.55Å
C3N1sing1.47Å1.47Å
N1C1sing1.47Å1.46Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C16H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
C19H10sing1.08Å1.08Å
C21H11sing1.08Å1.08Å
C22H12sing1.08Å1.08Å
C24H13sing1.08Å1.08Å
C25H14sing1.08Å1.08Å
C26H15sing1.08Å1.08Å
C27H16sing1.08Å1.08Å
C4H18sing1.09Å1.10Å
C4H19sing1.09Å1.10Å
C5H20sing1.09Å1.10Å
C5H21sing1.09Å1.10Å
C6H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
C7H24sing1.09Å1.10Å
C7H25sing1.09Å1.10Å
C9H26sing1.08Å1.08Å
C10H27sing1.08Å1.08Å
N3H28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22N7C21117.1°122.9°
N7C22C23124.1°120.4°
N7C22H12117.9°119.8°
N7C21C20124.9°121.5°
N7C21H11117.5°119.3°
C22C23C24120.8°122.0°
C22C23C28118.6°118.7°
C23C22H12118.0°119.8°
C21C20C28117.0°118.3°
C21C20C18117.5°120.8°
C20C21H11117.6°119.2°
C24C23C28120.6°119.3°
C23C24C25119.8°119.5°
C23C24H13120.1°120.2°
C23C28C20118.4°118.2°
C23C28C27118.0°119.6°
C24C25C26121.0°121.0°
C25C24H13120.1°120.3°
C24C25H14119.5°119.5°
C28C20C18125.5°120.8°
C20C28C27123.6°122.2°
C20C18N6116.5°119.7°
C20C18C19122.9°119.7°
C28C27C26121.9°119.5°
C28C27H16119.0°120.2°
C18N6C17119.1°122.0°
N6C18C19120.6°120.7°
N6C17C16123.8°121.0°
N6C17H9118.1°119.5°
C25C26C27118.6°121.0°
C26C25H14119.5°119.5°
C25C26H15120.7°119.5°
C18C19C15121.3°118.9°
C18C19H10119.4°120.6°
C17C16C15118.1°119.2°
C17C16H8120.9°120.3°
C16C17H9118.1°119.5°
C27C26H15120.7°119.5°
C26C27H16119.1°120.2°
C19C15C16117.1°118.2°
C19C15C14123.1°120.9°
C15C19H10119.3°120.6°
C16C15C14119.8°120.9°
C15C16H8121.0°120.4°
C15C14C12120.0°120.0°
C15C14O1119.8°120.0°
C12C14O1120.3°120.0°
C14C12N3125.7°125.2°
C14C12N4121.3°125.1°
C12N3C11103.9°107.0°
N3C12N4113.0°109.7°
C12N3H28128.0°126.5°
N3C11C10132.1°134.1°
N3C11C13111.3°106.4°
C11N3H28128.1°126.5°
C12N4C13107.9°109.8°
C11C10C9118.0°118.5°
C10C11C13116.6°119.5°
C11C10H27121.0°120.8°
C10C9C8120.5°119.6°
C10C9H26119.8°120.2°
C9C10H27121.0°120.8°
C11C13N4103.9°107.1°
C11C13N5127.2°119.9°
N4C13N5128.9°133.0°
C9C8N5123.2°121.3°
C9C8N2119.2°119.3°
C8C9H26119.8°120.2°
C13N5C8114.6°121.3°
N5C8N2117.6°119.4°
C8N2C6124.3°111.0°
C8N2C5124.7°111.0°
C6N2C5111.0°111.2°
N2C6C7110.7°109.6°
N2C6H22109.2°109.4°
N2C6H23109.1°109.5°
N2C5C4108.5°109.5°
N2C5H20109.7°109.5°
N2C5H21109.7°109.5°
C6C7C3110.5°109.3°
C7C6H22109.1°109.4°
C7C6H23109.1°109.5°
C6C7H24109.2°109.4°
C6C7H25109.2°109.5°
C7C3C4111.3°109.2°
C7C3N1114.3°109.6°
C7C3H7106.1°109.5°
C3C7H24109.2°109.4°
C3C7H25109.2°109.6°
C5C4C3111.5°109.3°
C5C4H18109.0°109.5°
C5C4H19109.0°109.5°
C4C5H20109.7°109.4°
C4C5H21109.7°109.5°
C2N1C3115.3°111.0°
C2N1C1109.8°111.0°
N1C2H4109.5°109.5°
N1C2H5109.5°109.5°
N1C2H6109.5°109.5°
C4C3N1111.5°109.5°
C4C3H7106.1°109.5°
C3C4H18109.0°109.5°
C3C4H19109.0°109.5°
C3N1C1111.7°111.0°
N1C3H7106.9°109.5°
N1C1H1109.5°109.5°
N1C1H2109.5°109.5°
N1C1H3109.5°109.5°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.4°109.5°
H4C2H5109.5°109.5°
H4C2H6109.4°109.5°
H5C2H6109.5°109.4°
H18C4H19109.5°109.5°
H20C5H21109.5°109.5°
H22C6H23109.5°109.4°
H24C7H25109.4°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N7C22C23H12180.0°179.5°
C22N7C21C200.3°0.0°
N7C22C23C24179.7°179.4°
N7C22C23C280.2°0.5°
C22N7C21H11179.6°180.0°
C21N7C22C230.1°0.3°
N7C21C20H11180.0°179.9°
N7C21C20C280.4°0.0°
N7C21C20C18179.2°179.8°
C21N7C22H12179.9°179.8°
C22C23C24C28179.8°179.9°
C22C23C24C25179.8°180.0°
C22C23C28C200.1°0.5°
C22C23C28C27179.8°179.5°
C22C23C24H130.2°0.0°
C21C20C28C230.1°0.3°
C21C20C28C18179.6°179.7°
C21C20C28C27179.6°179.7°
C21C20C18N639.7°131.7°
C21C20C18C19138.3°48.2°
C23C24C25H13180.0°180.0°
C24C23C28C20179.7°179.4°
C24C23C28C270.0°0.6°
C23C24C25C260.2°0.1°
C24C23C22H120.3°0.1°
C23C24C25H14179.8°180.0°
C28C23C24C250.4°0.0°
C23C28C20C27179.7°180.0°
C23C28C20C18179.5°180.0°
C23C28C27C260.6°1.1°
C28C23C22H12179.9°180.0°
C28C23C24H13179.6°180.0°
C23C28C27H16179.4°180.0°
C24C25C26H14180.0°179.9°
C24C25C26C270.4°0.7°
C24C25C26H15179.6°180.0°
C28C20C18N6140.7°48.0°
C28C20C18C1941.3°132.0°
C20C28C27C26179.7°178.9°
C28C20C21H11179.6°180.0°
C20C28C27H160.3°0.0°
C18C20C28C270.8°0.0°
C20C18N6C19178.0°180.0°
C20C18N6C17179.5°179.8°
C20C18C19C15179.9°180.0°
C20C18C19H100.1°0.1°
C18C20C21H110.8°0.3°
C28C27C26C250.8°1.2°
C28C27C26H16180.0°178.8°
C28C27C26H15179.2°179.5°
C18N6C17C160.5°0.3°
N6C18C19C152.0°0.0°
C18N6C17H9179.5°179.7°
N6C18C19H10178.0°180.0°
C17N6C18C191.5°0.3°
N6C17C16H9180.0°180.0°
N6C17C16C150.0°0.0°
N6C17C16H8180.0°180.0°
C25C26C27H15180.0°179.3°
C26C25C24H13179.8°179.9°
C25C26C27H16179.2°180.0°
C18C19C15H10180.0°180.0°
C18C19C15C161.5°0.2°
C18C19C15C14179.0°179.9°
C17C16C15C190.5°0.2°
C17C16C15H8180.0°180.0°
C17C16C15C14180.0°180.0°
C27C26C25H14179.6°179.4°
C19C15C16C14179.5°179.7°
C19C15C14C1223.1°179.7°
C19C15C14O1156.7°0.3°
C19C15C16H8179.5°179.8°
C16C15C14C12157.4°0.0°
C16C15C14O122.8°180.0°
C15C16C17H9180.0°180.0°
C16C15C19H10178.6°179.7°
C15C14C12O1179.8°180.0°
C15C14C12N38.6°179.6°
C15C14C12N4171.4°0.0°
C14C15C16H80.0°0.0°
C14C15C19H101.0°0.0°
C14C12N3N4180.0°179.6°
C14C12N3C11180.0°179.8°
C14C12N4C13179.9°180.0°
C14C12N3H280.0°0.4°
O1C14C12N3171.6°0.5°
O1C14C12N48.4°180.0°
C12N3C11H28180.0°179.7°
C12N3C11C10180.0°179.7°
C12N3C11C130.1°0.0°
N3C12N4C130.1°0.4°
C11N3C12N40.0°0.2°
N3C11C10C13179.9°179.7°
N3C11C10C9179.8°179.7°
N3C11C13N40.2°0.2°
N3C11C13N5179.9°179.8°
N3C11C10H270.2°0.3°
C12N4C13C110.1°0.4°
C12N4C13N5180.0°179.6°
N4C12N3H28180.0°180.0°
C11C10C9H27180.0°179.9°
C10C11C13N4179.9°180.0°
C11C10C9C80.3°0.0°
C10C11C13N50.0°0.0°
C11C10C9H26179.7°180.0°
C10C11N3H280.0°0.0°
C9C10C11C130.1°0.0°
C10C9C8H26180.0°180.0°
C10C9C8N50.3°0.1°
C10C9C8N2179.3°180.0°
C11C13N4N5179.9°180.0°
C11C13N5C80.0°0.0°
C13C11C10H27179.9°179.9°
C13C11N3H28179.9°179.7°
N4C13N5C8179.9°180.0°
C9C8N5C130.2°0.0°
C9C8N5N2179.7°179.9°
C9C8N2C60.7°179.9°
C9C8N2C5179.1°55.8°
C8C9C10H27179.7°180.0°
C13N5C8N2179.5°180.0°
N5C8N2C6179.7°0.0°
N5C8N2C51.2°124.2°
N5C8C9H26179.7°180.0°
C8N2C6C5178.6°124.1°
C8N2C6C7114.3°174.2°
C8N2C5C4114.1°174.2°
C8N2C5H205.7°65.9°
C8N2C5H21126.0°54.2°
C8N2C6H22125.6°65.9°
C8N2C6H235.9°54.1°
N2C8C9H260.7°0.0°
N2C6C7H22120.2°120.0°
N2C6C7H23120.2°120.1°
N2C6C7C355.1°59.0°
C6N2C5C464.5°61.7°
C6N2C5H20175.7°58.2°
C6N2C5H2155.3°178.3°
N2C6H22H23119.4°120.0°
N2C6C7H24175.3°60.8°
N2C6C7H2565.1°179.1°
C5N2C6C764.4°61.7°
N2C5C4H20119.8°120.0°
N2C5C4H21119.9°120.0°
N2C5C4C357.3°59.2°
N2C5C4H1863.0°179.1°
N2C5C4H19177.6°60.8°
N2C5H20H21120.5°120.0°
C5N2C6H2255.8°58.3°
C5N2C6H23175.4°178.2°
C6C7C3H24120.2°119.8°
C6C7C3H25120.2°120.0°
C6C7C3C448.5°57.5°
C6C7C3N1175.9°177.5°
C6C7C3H766.5°62.4°
C7C6H22H23119.4°119.9°
C6C7H24H25119.5°120.1°
C7C3C4C550.4°57.6°
C7C3N1C234.9°60.1°
C7C3C4N1128.9°120.0°
C7C3C4H7115.0°119.9°
C7C3N1H7117.1°120.1°
C7C3N1C191.4°175.9°
C7C3C4H1869.9°177.5°
C7C3C4H19170.7°62.4°
C3C7C6H2265.1°61.0°
C3C7C6H23175.3°179.1°
C3C7H24H25119.5°120.2°
C5C4C3H18120.3°119.9°
C5C4C3H19120.3°120.0°
C5C4C3N1179.3°177.6°
C5C4C3H764.6°62.3°
C5C4H18H19119.1°120.1°
C4C5H20H21120.4°120.0°
C2N1C3C492.5°179.8°
C2N1C3C1126.3°124.0°
C2N1C1H1180.0°60.0°
C2N1C1H260.0°180.0°
C2N1C1H360.0°60.0°
N1C2H4H5120.0°120.0°
N1C2H4H6120.0°120.0°
N1C2H5H6120.0°120.0°
C2N1C3H7152.0°60.0°
C4C3N1H7115.6°120.1°
C4C3N1C1141.3°56.2°
C3C4H18H19119.1°120.1°
C3C4C5H20177.1°60.8°
C3C4C5H2162.6°179.2°
C4C3C7H24168.7°62.3°
C4C3C7H2571.7°177.5°
C3N1C1H150.8°176.0°
C3N1C1H269.3°56.1°
C3N1C1H3170.8°63.9°
C3N1C2H4180.0°60.0°
C3N1C2H560.0°180.0°
C3N1C2H660.0°60.1°
N1C3C4H1859.0°62.5°
N1C3C4H1960.4°57.6°
N1C3C7H2463.9°57.6°
N1C3C7H2555.7°62.5°
N1C1H1H2120.0°120.0°
N1C1H1H3120.0°120.0°
N1C1H2H3120.0°120.0°
C1N1C2H452.8°176.0°
C1N1C2H567.2°56.0°
C1N1C2H6172.8°63.9°
C1N1C3H725.7°63.9°
H1C1H2H3120.0°120.0°
H4C2H5H6120.0°120.0°
H7C3C4H18175.1°57.6°
H7C3C4H1955.7°177.7°
H7C3C7H2453.6°177.8°
H7C3C7H25173.3°57.6°
H8C16C17H90.0°0.0°
H13C24C25H140.2°0.0°
H14C25C26H150.4°0.1°
H15C26C27H160.8°0.6°
H18C4C5H2056.8°59.1°
H18C4C5H21177.1°60.9°
H19C4C5H2062.6°179.2°
H19C4C5H2157.7°59.2°
H22C6C7H2455.0°179.2°
H22C6C7H25174.7°59.1°
H23C6C7H2464.6°59.3°
H23C6C7H2555.1°60.8°
H26C9C10H270.3°0.0°

223166

PDB entries from 2024-07-31

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