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R3J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01O01sing1.43Å1.40Å
O01C22sing1.36Å1.41Å
N01C22doub1.32Å1.33ÅAromatic
N01C02sing1.32Å1.34ÅAromatic
C22C21sing1.39Å1.37ÅAromatic
C02C03doub1.38Å1.41ÅAromatic
C21C04doub1.38Å1.36ÅAromatic
C03C04sing1.39Å1.38ÅAromatic
C04C05sing1.51Å1.54Å
C24C12sing1.53Å1.53Å
C05C06sing1.53Å1.54Å
C06N02sing1.47Å1.45Å
C23C12sing1.53Å1.53Å
N02C07sing1.35Å1.45Å
C12C11sing1.51Å1.51Å
C12N05sing1.46Å1.45Å
N04C11doub1.30Å1.38Å
N04C08sing1.35Å1.40Å
C07O02doub1.22Å1.18Å
C07C08sing1.48Å1.53Å
C11N03sing1.35Å1.44Å
C08C09doub1.39Å1.40Å
N03C10sing1.35Å1.35Å
C09C10sing1.47Å1.44Å
C09O03sing1.36Å1.39Å
C10O04doub1.22Å1.38Å
C21H1sing1.08Å1.08Å
C23H2sing1.09Å1.10Å
C23H3sing1.09Å1.10Å
C23H4sing1.09Å1.10Å
C24H5sing1.09Å1.10Å
C24H6sing1.09Å1.10Å
C24H7sing1.09Å1.10Å
C01H8sing1.09Å1.10Å
C01H9sing1.09Å1.10Å
C01H10sing1.09Å1.10Å
C02H11sing1.08Å1.08Å
C03H12sing1.08Å1.08Å
C05H13sing1.09Å1.10Å
C05H14sing1.09Å1.10Å
C06H15sing1.09Å1.10Å
C06H16sing1.09Å1.10Å
N02H17sing0.97Å1.00Å
O03H18sing0.97Å0.95Å
N03H19sing0.97Å1.00Å
N05H20sing0.97Å1.00Å
N05C25sing1.35Å43.10Å
C25O26sing1.35Å0.00Å
C25O25doub1.22Å0.00Å
O26C26sing1.45Å0.00Å
C26C27sing1.51Å0.00Å
C27C28sing1.38Å0.00ÅAromatic
C28C29doub1.38Å0.00ÅAromatic
C29C30sing1.38Å0.00ÅAromatic
C30C31doub1.38Å0.00ÅAromatic
C31C32sing1.38Å0.00ÅAromatic
C32C27doub1.38Å0.00ÅAromatic
C26H21sing1.09Å0.00Å
C26H22sing1.09Å0.00Å
C28H23sing1.08Å0.00Å
C29H24sing1.08Å0.00Å
C30H25sing1.08Å0.00Å
C31H26sing1.08Å0.00Å
C32H27sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01O01C22115.9°117.0°
O01C01H8109.5°109.4°
O01C01H9109.5°109.4°
O01C01H10109.5°109.4°
O01C22N01119.0°119.7°
O01C22C21117.5°119.7°
C22N01C02118.9°121.6°
N01C22C21123.4°120.6°
N01C02C03119.7°120.9°
N01C02H11120.1°119.6°
C22C21C04119.4°119.2°
C22C21H1120.3°120.4°
C02C03C04120.2°119.3°
C03C02H11120.1°119.6°
C02C03H12119.9°120.4°
C21C04C03118.4°118.5°
C21C04C05122.4°120.8°
C04C21H1120.3°120.4°
C03C04C05119.2°120.7°
C04C03H12119.9°120.4°
C04C05C06114.7°109.4°
C04C05H13108.2°109.5°
C04C05H14108.2°109.5°
C24C12C23113.8°109.5°
C24C12C11109.1°109.5°
C24C12N05110.3°109.5°
C12C24H5109.5°109.5°
C12C24H6109.5°109.4°
C12C24H7109.5°109.5°
C05C06N02110.6°109.4°
C06C05H13108.1°109.5°
C06C05H14108.1°109.5°
C05C06H15109.2°109.5°
C05C06H16109.2°109.5°
C06N02C07122.3°120.0°
N02C06H15109.2°109.5°
N02C06H16109.2°109.5°
C06N02H17118.9°120.0°
C23C12C11108.2°109.5°
C23C12N05107.9°109.5°
C12C23H2109.5°109.5°
C12C23H3109.4°109.5°
C12C23H4109.5°109.5°
N02C07O02121.7°120.0°
N02C07C08117.3°120.0°
C07N02H17118.9°120.0°
C11C12N05107.3°109.5°
C12C11N04118.0°118.7°
C12C11N03121.7°118.7°
C12N05H20120.7°120.0°
C12N05C25118.5°120.0°
C11N04C08120.6°122.2°
N04C11N03120.3°122.6°
N04C08C07116.4°120.3°
N04C08C09119.4°119.5°
O02C07C08121.0°120.0°
C07C08C09124.2°120.3°
C11N03C10119.6°120.1°
C11N03H19120.2°119.9°
C08C09C10119.7°117.7°
C08C09O03121.3°121.2°
N03C10C09120.3°118.0°
N03C10O04118.9°121.0°
C10N03H19120.2°120.0°
C10C09O03119.0°121.1°
C09C10O04120.8°121.0°
C09O03H18109.5°114.0°
H2C23H3109.5°109.5°
H2C23H4109.4°109.5°
H3C23H4109.5°109.4°
H5C24H6109.4°109.5°
H5C24H7109.5°109.4°
H6C24H7109.5°109.5°
H8C01H9109.4°109.5°
H8C01H10109.5°109.5°
H9C01H10109.5°109.5°
H13C05H14109.5°109.5°
H15C06H16109.5°109.5°
H20N05C25120.7°119.9°
N05C25O2690.0°120.1°
N05C25O2590.0°120.0°
O26C25O2590.0°119.9°
C25O26C2690.0°117.0°
O26C26C2790.0°109.5°
O26C26H2190.0°109.5°
O26C26H2290.0°109.4°
C26C27C2890.0°120.0°
C26C27C3290.0°120.1°
C27C26H2190.0°109.5°
C27C26H2290.0°109.4°
C27C28C2990.0°120.0°
C28C27C3290.0°120.0°
C27C28H2390.0°120.0°
C28C29C3090.0°120.0°
C29C28H2390.0°120.0°
C28C29H2490.0°119.9°
C29C30C3190.0°120.0°
C30C29H2490.0°120.0°
C29C30H2590.0°120.0°
C30C31C3290.0°120.0°
C31C30H2590.0°120.0°
C30C31H2690.0°120.0°
C31C32C2790.0°120.0°
C32C31H2690.0°120.0°
C31C32H2790.0°120.0°
C27C32H2790.0°120.0°
H21C26H2290.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01O01C22N0131.4°0.1°
C01O01C22C21150.1°180.0°
O01C01H8H9120.0°120.0°
O01C01H8H10120.0°120.0°
O01C01H9H10120.0°120.0°
O01C22N01C21178.3°180.0°
O01C22N01C02179.5°180.0°
O01C22C21C04179.6°180.0°
O01C22C21H10.4°0.2°
C22O01C01H8180.0°180.0°
C22O01C01H960.0°60.0°
C22O01C01H1060.0°60.0°
C22N01C02C030.4°0.0°
N01C22C21C041.3°0.0°
N01C22C21H1178.8°179.7°
C22N01C02H11179.6°180.0°
C02N01C22C211.2°0.0°
N01C02C03H11180.0°180.0°
N01C02C03C040.1°0.0°
N01C02C03H12179.8°179.9°
C22C21C04H1180.0°179.7°
C22C21C04C030.6°0.0°
C22C21C04C05179.7°179.7°
C02C03C04C210.1°0.0°
C02C03C04H12180.0°179.9°
C02C03C04C05179.6°179.7°
C21C04C03C05179.7°179.7°
C21C04C05C0637.0°90.0°
C21C04C03H12179.9°179.9°
C21C04C05H13157.8°150.0°
C21C04C05H1483.7°30.0°
C03C04C05C06143.3°90.3°
C03C04C21H1179.4°179.7°
C04C03C02H11179.9°180.0°
C03C04C05H1322.5°29.7°
C03C04C05H1496.0°149.7°
C04C05C06H13120.7°120.0°
C04C05C06H14120.8°120.0°
C04C05C06N0247.0°180.0°
C05C04C21H10.3°0.0°
C05C04C03H120.4°0.2°
C04C05H13H14117.7°120.0°
C04C05C06H15167.2°60.0°
C04C05C06H1673.1°60.0°
C24C12C23C11121.4°120.0°
C24C12C23N05122.8°120.0°
C24C12C11N05119.5°120.0°
C24C12C11N0489.0°120.0°
C24C12C11N0391.1°60.0°
C24C12C23H2180.0°60.0°
C24C12C23H360.0°60.0°
C24C12C23H460.0°180.0°
C12C24H5H6120.0°120.0°
C12C24H5H7120.0°120.0°
C12C24H6H7120.0°120.0°
C24C12N05H20140.4°120.0°
C24C12N05C2539.5°60.0°
C05C06N02H15120.2°119.9°
C05C06N02H16120.2°120.0°
C05C06N02C07176.2°180.0°
C06C05H13H14117.6°120.0°
C05C06H15H16119.5°120.1°
C05C06N02H173.8°0.1°
C06N02C07H17180.0°179.9°
C06N02C07O021.5°0.1°
C06N02C07C08179.9°180.0°
N02C06C05H1373.7°60.0°
N02C06C05H14167.8°60.0°
N02C06H15H16119.5°120.0°
C23C12C11N05116.2°120.0°
C23C12C11N0435.2°0.0°
C23C12C11N03144.6°180.0°
C12C23H2H3120.0°120.0°
C12C23H2H4120.0°120.0°
C12C23H3H4120.0°119.9°
C23C12C24H5180.0°179.9°
C23C12C24H660.0°60.0°
C23C12C24H760.0°60.0°
C23C12N05H2094.7°120.0°
C23C12N05C2585.4°60.0°
N02C07C08N0427.0°0.1°
N02C07O02C08178.6°179.9°
N02C07C08C09153.7°180.0°
C07N02C06H1563.6°60.1°
C07N02C06H1656.0°60.0°
C12C11N04N03179.8°180.0°
C12C11N04C08179.8°179.8°
C12C11N03C10179.5°179.9°
C11C12C23H258.6°60.0°
C11C12C23H3178.6°180.0°
C11C12C23H461.4°60.1°
C11C12C24H559.1°60.0°
C11C12C24H660.9°180.0°
C11C12C24H7179.1°60.0°
C12C11N03H190.5°0.0°
C11C12N05H2021.7°0.0°
C11C12N05C25158.3°180.0°
N05C12C11N04151.4°120.0°
N05C12C11N0328.4°60.0°
N05C12C23H257.2°180.0°
N05C12C23H362.8°60.0°
N05C12C23H4177.2°59.9°
N05C12C24H558.5°60.0°
N05C12C24H6178.5°60.0°
N05C12C24H761.5°180.0°
C12N05H20C25180.0°180.0°
C12N05C25O2690.0°180.0°
C12N05C25O2590.0°0.0°
C11N04C08C07179.2°179.7°
C11N04C08C090.2°0.2°
N04C11N03C100.3°0.0°
N04C11N03H19179.7°179.9°
N04C08C07O02151.6°180.0°
N04C08C07C09179.4°179.9°
C08N04C11N030.1°0.2°
N04C08C09C100.3°0.1°
N04C08C09O03179.9°180.0°
O02C07C08C0927.7°0.1°
O02C07N02H17178.5°180.0°
C07C08C09C10179.1°180.0°
C07C08C09O030.6°0.0°
C08C07N02H170.1°0.1°
C11N03C10H19180.0°179.9°
C11N03C10C090.3°0.3°
C11N03C10O04178.7°180.0°
C08C09C10N030.0°0.3°
C08C09C10O03179.7°180.0°
C08C09C10O04179.0°180.0°
C08C09O03H18179.7°180.0°
N03C10C09O04179.0°179.7°
N03C10C09O03179.7°179.7°
C10C09O03H180.7°0.1°
C09C10N03H19179.7°179.8°
O03C09C10O041.3°0.0°
O04C10N03H191.3°0.1°
H2C23H3H4120.0°120.1°
H5C24H6H7120.0°120.0°
H8C01H9H10120.0°120.1°
H11C02C03H120.2°0.1°
H13C05C06H1546.5°180.0°
H13C05C06H16166.1°60.0°
H14C05C06H1572.0°60.0°
H14C05C06H1647.6°179.9°
H15C06N02H17116.3°120.0°
H16C06N02H17124.0°120.0°
H20N05C25O2690.0°0.0°
H20N05C25O2590.0°179.9°
N05C25O26O2590.0°179.9°
N05C25O26C2690.0°180.0°
C25O26C26C2790.0°180.0°
C25O26C26H2190.0°60.0°
C25O26C26H2290.0°60.0°
O25C25O26C2690.0°0.1°
O26C26C27H2190.0°120.1°
O26C26C27H2290.0°120.0°
O26C26C27C2890.0°90.0°
O26C26C27C3290.0°90.2°
O26C26H21H2290.0°120.0°
C26C27C28C3290.0°179.8°
C26C27C28C2990.0°180.0°
C26C27C32C3190.0°179.8°
C27C26H21H2290.0°120.0°
C26C27C28H2390.0°0.0°
C26C27C32H2790.0°0.2°
C27C28C29H2390.0°180.0°
C27C28C29C3090.0°0.0°
C28C27C32C3190.0°0.4°
C28C27C26H2190.0°30.1°
C28C27C26H2290.0°150.0°
C27C28C29H2490.0°179.9°
C28C27C32H2790.0°180.0°
C28C29C30H2490.0°179.9°
C28C29C30C3190.0°0.1°
C29C28C27C3290.0°0.2°
C28C29C30H2590.0°179.9°
C29C30C31H2590.0°180.0°
C29C30C31C3290.0°0.2°
C30C29C28H2390.0°180.0°
C29C30C31H2690.0°180.0°
C30C31C32H2690.0°179.9°
C30C31C32C2790.0°0.4°
C31C30C29H2490.0°180.0°
C30C31C32H2790.0°180.0°
C31C32C27H2790.0°179.6°
C32C31C30H2590.0°179.9°
C32C27C26H2190.0°149.7°
C32C27C26H2290.0°29.7°
C32C27C28H2390.0°179.7°
C27C32C31H2690.0°179.7°
H23C28C29H2490.0°0.1°
H24C29C30H2590.0°0.0°
H25C30C31H2690.0°0.0°
H26C31C32H2790.0°0.2°

221716

PDB entries from 2024-06-26

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