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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11N9sing1.47Å1.46Å
O8C7doub1.21Å1.22Å
N9C7sing1.35Å1.34Å
N9C10sing1.46Å1.46Å
C7C4sing1.51Å1.51Å
O15C16sing1.45Å1.43Å
O15C13sing1.35Å1.46Å
C16C17sing1.51Å1.51Å
N12C13sing1.35Å1.33Å
N12C3sing1.47Å1.45Å
C2C1doub1.29Å1.32Å
C2C3sing1.50Å1.51Å
C22C17doub1.38Å1.38ÅAromatic
C22C21sing1.38Å1.39ÅAromatic
C1C6sing1.50Å1.51Å
C4C3sing1.53Å1.53Å
C4C5sing1.53Å1.53Å
C13O14doub1.22Å1.22Å
C17C18sing1.38Å1.39ÅAromatic
C5C6sing1.53Å1.53Å
C21C20doub1.40Å1.39ÅAromatic
O32P29doub1.48Å1.51Å
C18C19doub1.38Å1.40ÅAromatic
C20C19sing1.40Å1.39ÅAromatic
C20C23sing1.48Å1.50Å
P29O31sing1.61Å1.51Å
P29O28sing1.61Å1.61Å
P29O30sing1.61Å1.51Å
O24C23doub1.22Å1.22Å
C23N25sing1.35Å1.33Å
O28C27sing1.43Å1.43Å
N25C26sing1.47Å1.45Å
C26C27sing1.53Å1.52Å
C11H11Bsing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C11H11Csing1.09Å1.10Å
C10H10Csing1.09Å1.10Å
C10H10Bsing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C5H5Bsing1.09Å1.10Å
C6H6Bsing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.09Å1.10Å
N12H12sing0.97Å1.00Å
C16H16Asing1.09Å1.10Å
C16H16Bsing1.09Å1.10Å
C22H22sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
N25H25sing0.97Å1.00Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
O31H5sing0.97Å0.95Å
O30H6sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11N9C7122.1°120.0°
C11N9C10111.2°120.0°
N9C11H11B109.5°109.5°
N9C11H11A109.4°109.5°
N9C11H11C109.4°109.5°
O8C7N9121.3°120.0°
O8C7C4119.4°120.0°
C7N9C10126.7°120.0°
N9C7C4119.3°120.0°
N9C10H10C109.5°109.4°
N9C10H10B109.5°109.5°
N9C10H10A109.4°109.5°
C7C4C3107.7°109.6°
C7C4C5110.4°109.6°
C7C4H4108.2°109.6°
C16O15C13122.7°117.0°
O15C16C17107.9°109.5°
O15C16H16A109.9°109.5°
O15C16H16B109.9°109.5°
O15C13N12117.2°120.0°
O15C13O14119.6°120.0°
C16C17C22119.0°119.9°
C16C17C18120.8°119.8°
C17C16H16A109.8°109.5°
C17C16H16B109.8°109.4°
C13N12C3124.1°120.0°
N12C13O14123.2°120.0°
C13N12H12117.9°120.0°
N12C3C2109.9°109.4°
N12C3C4110.7°109.3°
N12C3H3109.4°109.3°
C3N12H12118.0°120.0°
C1C2C3119.6°124.1°
C2C1C6118.7°124.1°
C2C1H1120.6°118.0°
C1C2H2120.2°118.0°
C2C3C4109.8°110.2°
C3C2H2120.2°117.9°
C2C3H3108.6°109.4°
C17C22C21119.8°120.2°
C22C17C18120.2°120.3°
C17C22H22120.1°119.9°
C22C21C20120.6°119.9°
C21C22H22120.1°119.9°
C22C21H21119.7°120.1°
C1C6C5111.1°110.1°
C1C6H6B109.1°109.4°
C1C6H6A109.1°109.3°
C6C1H1120.7°117.9°
C3C4C5114.6°108.4°
C3C4H4107.9°109.6°
C4C3H3108.4°109.4°
C4C5C6114.1°108.4°
C5C4H4107.9°109.8°
C4C5H5A108.3°109.6°
C4C5H5B108.3°109.6°
C17C18C19120.0°120.1°
C17C18H18120.0°120.0°
C6C5H5A108.3°109.7°
C6C5H5B108.3°109.7°
C5C6H6B109.1°109.3°
C5C6H6A109.1°109.3°
C21C20C19119.7°119.7°
C21C20C23118.1°120.2°
C20C21H21119.7°120.0°
O32P29O31113.9°109.5°
O32P29O28104.6°109.5°
O32P29O30113.8°109.5°
C18C19C20119.7°119.9°
C19C18H18120.0°119.9°
C18C19H19120.1°120.1°
C19C20C23122.1°120.2°
C20C19H19120.1°120.0°
C20C23O24115.7°120.0°
C20C23N25125.1°120.0°
O31P29O28104.9°109.4°
O31P29O30115.0°109.5°
P29O31H5109.5°114.0°
O28P29O30103.0°109.5°
P29O28C27121.5°123.0°
P29O30H6109.5°114.0°
O24C23N25119.1°120.0°
C23N25C26125.7°120.0°
C23N25H25117.1°120.0°
O28C27C26107.6°109.5°
O28C27H27A110.0°109.5°
O28C27H27B110.0°109.4°
N25C26C27108.8°109.5°
C26N25H25117.2°120.0°
N25C26H26A109.6°109.5°
N25C26H26B109.7°109.5°
C27C26H26A109.6°109.5°
C27C26H26B109.6°109.5°
C26C27H27A110.0°109.4°
C26C27H27B109.9°109.5°
H11BC11H11A109.5°109.5°
H11BC11H11C109.5°109.5°
H11AC11H11C109.5°109.4°
H10CC10H10B109.5°109.5°
H10CC10H10A109.5°109.5°
H10BC10H10A109.5°109.5°
H5AC5H5B109.4°109.8°
H6BC6H6A109.5°109.3°
H16AC16H16B109.5°109.5°
H26AC26H26B109.5°109.4°
H27AC27H27B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11N9C7O84.0°173.6°
C11N9C7C10179.2°179.9°
C11N9C7C4174.4°6.6°
N9C11H11BH11A120.0°120.0°
N9C11H11BH11C120.0°120.1°
N9C11H11AH11C120.0°120.0°
C11N9C10H10C180.0°90.1°
C11N9C10H10B60.0°29.9°
C11N9C10H10A60.0°150.0°
O8C7N9C4178.3°179.8°
O8C7N9C10175.3°6.3°
O8C7C4C384.5°6.1°
O8C7C4C541.3°112.9°
O8C7C4H4159.1°126.5°
N9C7C4C393.8°174.2°
N9C7C4C5140.4°66.9°
C7N9C11H11B180.0°84.4°
C7N9C11H11A60.0°155.6°
C7N9C11H11C60.0°35.7°
C7N9C10H10C0.7°90.0°
C7N9C10H10B120.7°150.0°
C7N9C10H10A119.3°30.0°
N9C7C4H422.6°53.8°
C10N9C7C46.4°173.4°
C10N9C11H11B0.7°95.6°
C10N9C11H11A120.6°24.4°
C10N9C11H11C119.4°144.4°
N9C10H10CH10B120.0°120.0°
N9C10H10CH10A120.0°120.0°
N9C10H10BH10A120.0°120.0°
C7C4C3N1242.3°48.9°
C7C4C3C279.3°169.1°
C7C4C3C5123.3°119.7°
C7C4C3H4116.6°120.4°
C7C4C5H4118.0°120.5°
C7C4C5C6119.2°172.9°
C7C4C5H5A120.1°53.2°
C7C4C5H5B1.5°67.4°
C7C4C3H3162.2°70.7°
O15C16C17H16A119.7°120.0°
O15C16C17H16B119.7°120.0°
C16O15C13N12169.1°180.0°
O15C16C17C2279.7°89.7°
C16O15C13O148.8°0.0°
O15C16C17C1899.5°90.0°
O15C16H16AH16B120.7°120.0°
C13O15C16C1794.3°180.0°
O15C13N12O14177.9°180.0°
O15C13N12C3176.3°180.0°
O15C13N12H123.7°0.0°
C13O15C16H16A146.0°60.0°
C13O15C16H16B25.5°60.0°
C16C17C22C18179.2°179.7°
C16C17C22C21179.7°180.0°
C16C17C18C19179.3°179.9°
C17C16H16AH16B120.7°120.0°
C16C17C22H220.4°0.0°
C16C17C18H180.7°0.0°
C13N12C3H12180.0°180.0°
C13N12C3C2163.9°84.3°
C13N12C3C474.6°155.0°
C13N12C3H344.7°35.4°
N12C3C2C1166.6°103.0°
N12C3C2C4122.0°120.2°
N12C3C2H3119.6°119.6°
N12C3C4H3119.9°119.6°
N12C3C4C5165.5°70.8°
C3N12C13O141.6°0.1°
N12C3C4H474.3°169.3°
N12C3C2H213.4°77.0°
C1C2C3H2180.0°180.0°
C2C1C6H1180.0°179.9°
C1C2C3C444.6°17.1°
C2C1C6C544.7°17.2°
C2C1C6H6B165.0°103.0°
C2C1C6H6A75.5°137.3°
C1C2C3H373.7°137.4°
C3C2C1C60.6°0.5°
C2C3C4H3118.5°120.2°
C2C3C4C544.0°49.4°
C2C3C4H4164.2°70.5°
C3C2C1H1179.4°179.6°
C2C3N12H1216.1°95.7°
C17C22C21H22180.0°180.0°
C17C22C21C200.0°0.0°
C22C17C18C190.1°0.2°
C22C17C16H16A40.0°150.3°
C22C17C16H16B160.5°30.3°
C17C22C21H21179.9°179.9°
C22C17C18H18179.9°179.7°
C21C22C17C180.5°0.3°
C22C21C20H21180.0°179.9°
C22C21C20C190.7°0.3°
C22C21C20C23178.9°180.0°
C1C6C5C440.8°49.5°
C1C6C5H6B120.2°120.2°
C1C6C5H6A120.2°120.1°
C1C6C5H5A161.5°169.1°
C1C6C5H5B79.9°70.2°
C1C6H6BH6A119.3°119.7°
C6C1C2H2179.4°179.5°
C3C4C5H4120.2°119.8°
C3C4C5C62.6°67.4°
C3C4C5H5A118.1°172.9°
C3C4C5H5B123.3°52.3°
C4C3C2H2135.4°162.9°
C4C3N12H12105.4°25.0°
C4C5C6H5A120.7°119.6°
C4C5C6H5B120.7°119.7°
C4C5H5AH5B117.9°120.5°
C4C5C6H6B161.0°70.8°
C4C5C6H6A79.5°169.6°
C5C4C3H374.5°169.6°
O14C13N12H12178.4°180.0°
C17C18C19H18180.0°179.9°
C17C18C19C200.7°0.1°
C18C17C16H16A140.8°30.0°
C18C17C16H16B20.3°150.0°
C18C17C22H22179.6°179.7°
C17C18C19H19179.3°180.0°
C6C5C4H4122.8°52.4°
C6C5H5AH5B117.9°120.6°
C5C6H6BH6A119.3°119.7°
C5C6C1H1135.3°162.9°
C21C20C19C181.1°0.3°
C21C20C19C23178.0°179.7°
C21C20C23O2451.9°0.1°
C21C20C23N25127.7°180.0°
C20C21C22H22180.0°180.0°
C21C20C19H19178.9°179.7°
O32P29O31O28113.8°120.0°
O32P29O31O30133.8°120.0°
O32P29O28O30119.2°120.0°
O32P29O28C27161.3°55.0°
O32P29O31H50.0°180.0°
O32P29O30H60.0°60.0°
C18C19C20H19180.0°180.0°
C18C19C20C23179.1°180.0°
C19C20C23O24126.1°179.8°
C19C20C23N2554.2°0.3°
C19C20C21H21179.3°179.8°
C20C19C18H18179.4°180.0°
C20C23O24N25179.7°179.9°
C20C23N25C262.3°180.0°
C23C20C21H211.2°0.1°
C23C20C19H190.8°0.0°
C20C23N25H25177.7°0.0°
O31P29O28O30120.6°120.0°
O31P29O28C2741.0°65.0°
O31P29O30H6134.0°60.0°
P29O28C27C26158.9°180.0°
P29O28C27H27A81.4°60.0°
P29O28C27H27B39.2°60.0°
O28P29O31H5113.8°60.0°
O28P29O30H6112.6°179.9°
O30P29O28C2779.6°175.0°
O30P29O31H5133.8°60.0°
O24C23N25C26177.4°0.1°
O24C23N25H252.7°180.0°
C23N25C26H25180.0°180.0°
C23N25C26C27138.8°180.0°
C23N25C26H26A18.9°60.0°
C23N25C26H26B101.3°59.9°
O28C27C26N2554.5°65.0°
O28C27C26H27A119.7°120.0°
O28C27C26H27B119.7°120.0°
O28C27C26H26A65.4°55.0°
O28C27C26H26B174.4°175.0°
O28C27H27AH27B120.9°120.0°
N25C26C27H26A119.9°120.0°
N25C26C27H26B119.9°120.0°
N25C26H26AH26B120.3°120.0°
N25C26C27H27A65.2°175.0°
N25C26C27H27B174.2°55.0°
C27C26N25H2541.2°0.0°
C27C26H26AH26B120.3°120.0°
C26C27H27AH27B120.8°120.0°
H11BC11H11AH11C120.0°120.0°
H10CC10H10BH10A120.0°120.0°
H4C4C5H5A2.1°67.3°
H4C4C5H5B116.5°172.1°
H4C4C3H345.7°49.8°
H5AC5C6H6B78.3°48.9°
H5AC5C6H6A41.3°70.8°
H5BC5C6H6B40.3°169.6°
H5BC5C6H6A159.9°49.9°
H6BC6C1H115.0°76.9°
H6AC6C1H1104.5°42.8°
H1C1C2H20.6°0.4°
H2C2C3H3106.2°42.7°
H3C3N12H12135.3°144.7°
H22C22C21H210.0°0.1°
H18C18C19H190.7°0.1°
H25N25C26H26A161.1°120.0°
H25N25C26H26B78.7°120.0°
H26AC26C27H27A174.9°65.0°
H26AC26C27H27B54.3°175.0°
H26BC26C27H27A54.7°55.0°
H26BC26C27H27B65.9°65.0°

230744

PDB entries from 2025-01-29

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