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317

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.61Å
C1C7sing1.53Å1.55Å
C1C26sing1.51Å1.51Å
C2C3sing1.51Å1.51Å
C2N6sing1.47Å1.46Å
C3C4doub1.31Å1.37Å
C3F5sing1.35Å1.34Å
C4C8sing1.51Å1.53Å
C4C11sing1.52Å1.51Å
C7C18sing1.53Å1.54Å
C8C9sing1.54Å1.52Å
C9C10sing1.55Å1.53Å
C10C11sing1.55Å1.53Å
C18C19sing1.53Å1.46Å
C18C20sing1.53Å1.46Å
C19C20sing1.53Å1.46Å
C26N27doub1.31Å1.33ÅAromatic
C26O30sing1.34Å1.34ÅAromatic
N27C28sing1.35Å1.34ÅAromatic
C28N29doub1.31Å1.36ÅAromatic
C28C31sing1.48Å1.49ÅAromatic
N29O30sing1.21Å1.40ÅAromatic
C31C32doub1.39Å1.43ÅAromatic
C31C36sing1.39Å1.45ÅAromatic
C32C33sing1.38Å1.41ÅAromatic
C33C34doub1.38Å1.43ÅAromatic
C34C35sing1.38Å1.41ÅAromatic
C34S40sing1.76Å1.76Å
C35C36doub1.38Å1.41ÅAromatic
C36CL47sing1.74Å1.75Å
S40O41doub1.42Å1.42Å
S40O42doub1.42Å1.47Å
S40C43sing1.81Å1.78Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
N6HN6sing1.01Å1.00Å
N6HN6Asing1.01Å1.00Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
C35H35sing1.08Å1.08Å
C43H43sing1.09Å1.10Å
C43H43Asing1.09Å1.10Å
C43H43Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C7110.1°109.5°
C2C1C26111.5°109.5°
C1C2C3112.7°109.5°
C1C2N6108.4°109.5°
C2C1H1106.3°109.4°
C1C2H2107.8°109.5°
C7C1C26105.0°109.5°
C1C7C18112.6°109.5°
C7C1H1112.7°109.5°
C1C7H7108.4°109.5°
C1C7H7A107.8°109.5°
C1C26N27123.0°126.4°
C1C26O30122.4°126.5°
C26C1H1111.4°109.5°
C3C2N6108.7°109.4°
C2C3C4125.7°120.0°
C2C3F5116.0°120.0°
C3C2H2107.5°109.4°
N6C2H2111.8°109.5°
C2N6HN6109.5°111.0°
C2N6HN6A109.5°111.0°
C4C3F5118.3°120.0°
C3C4C8124.2°126.3°
C3C4C11128.9°126.3°
C8C4C11107.0°107.3°
C4C8C9108.5°106.8°
C4C8H8109.8°110.0°
C4C8H8A110.0°110.0°
C4C11C10107.9°104.3°
C4C11H11110.0°110.5°
C4C11H11A110.4°110.5°
C7C18C19117.9°117.5°
C7C18C20115.7°117.5°
C18C7H7108.5°109.4°
C18C7H7A107.8°109.5°
C7C18H1893.8°115.6°
C8C9C10107.1°103.8°
C9C8H8109.8°109.9°
C9C8H8A110.0°110.0°
C8C9H9110.3°110.6°
C8C9H9A110.8°110.6°
C9C10C11107.5°102.2°
C10C9H9110.3°110.6°
C10C9H9A110.8°110.6°
C9C10H10110.2°110.9°
C9C10H10A110.6°110.9°
C11C10H10110.1°111.0°
C11C10H10A110.6°110.7°
C10C11H11110.0°110.6°
C10C11H11A110.4°110.4°
C19C18C2060.0°60.0°
C18C19C2059.8°60.0°
C19C18H18134.1°117.5°
C18C19H19131.0°117.5°
C18C19H19A136.1°117.5°
C18C20C1960.2°60.0°
C20C18H18136.0°117.5°
C18C20H20130.8°117.5°
C18C20H20A135.9°117.5°
C20C19H19131.0°117.5°
C20C19H19A136.1°117.5°
C19C20H20130.8°117.5°
C19C20H20A135.9°117.5°
N27C26O30114.6°107.1°
C26N27C28104.1°105.6°
C26O30N29103.7°110.1°
N27C28N29111.5°107.2°
N27C28C31129.1°126.5°
N29C28C31119.4°126.4°
C28N29O30106.1°110.1°
C28C31C32113.2°120.2°
C28C31C36128.5°120.1°
C32C31C36118.2°119.7°
C31C32C33121.1°119.9°
C31C32H32119.4°120.0°
C31C36C35120.5°119.8°
C31C36CL47125.8°120.1°
C32C33C34119.4°120.1°
C33C32H32119.5°120.1°
C32C33H33120.3°119.9°
C33C34C35120.9°120.3°
C33C34S40120.2°119.9°
C34C33H33120.3°120.0°
C35C34S40118.9°119.9°
C34C35C36119.9°120.1°
C34C35H35120.1°120.0°
C34S40O41108.6°104.2°
C34S40O42105.6°104.3°
C34S40C43103.2°104.4°
C35C36CL47113.7°120.1°
C36C35H35120.1°119.9°
O41S40O42115.4°121.0°
O41S40C43112.5°110.6°
O42S40C43110.6°110.6°
S40C43H43109.5°109.5°
S40C43H43A109.4°109.4°
S40C43H43B109.5°109.5°
HN6N6HN6A109.5°111.0°
H7C7H7A111.9°109.4°
H8C8H8A108.7°110.0°
H9C9H9A107.7°110.6°
H10C10H10A107.9°110.9°
H11C11H11A108.2°110.5°
H19C19H19A74.6°115.5°
H20C20H20A74.9°115.6°
H43C43H43A109.5°109.5°
H43C43H43B109.5°109.5°
H43AC43H43B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C7C26120.1°120.0°
C2C1C7H1118.5°120.0°
C2C1C26H1118.6°120.0°
C1C2C3N6120.2°120.0°
C1C2C3H2118.6°120.0°
C1C2N6H2118.7°120.1°
C1C2C3C4128.2°109.7°
C1C2C3F551.7°70.2°
C2C1C7C18151.2°67.6°
C2C1C26N27124.9°120.0°
C2C1C26O3054.3°59.7°
C1C2N6HN630.5°176.0°
C1C2N6HN6A150.5°60.0°
C2C1C7H788.8°172.4°
C2C1C7H7A32.5°52.5°
C7C1C26H1122.2°120.0°
C7C1C2C3165.6°59.6°
C7C1C2N645.2°179.6°
C1C7C18H7120.0°120.0°
C1C7C18H7A118.7°120.1°
C1C7C18C19173.5°174.5°
C1C7C18C20105.3°116.9°
C7C1C26N27115.8°120.0°
C7C1C26O3064.9°60.3°
C7C1C2H275.9°60.3°
C1C7H7H7A118.7°120.0°
C1C7C18H1841.0°28.8°
C26C1C2C378.2°60.4°
C26C1C2N6161.4°59.6°
C26C1C7C1888.7°172.4°
C1C26N27O30179.3°179.7°
C1C26N27C28179.4°180.0°
C1C26O30N29179.4°179.8°
C26C1C2H240.2°179.6°
C26C1C7H731.3°52.4°
C26C1C7H7A152.6°67.5°
C3C2N6H2118.5°119.9°
C2C3C4F5180.0°179.9°
C2C3C4C8179.9°180.0°
C2C3C4C110.3°0.4°
C3C2C1H143.3°179.6°
C3C2N6HN6153.3°64.0°
C3C2N6HN6A86.7°60.0°
N6C2C3C4111.5°130.2°
N6C2C3F568.5°49.8°
N6C2C1H177.1°60.4°
C2N6HN6HN6A120.0°124.0°
C3C4C8C11179.8°179.7°
C3C4C8C9171.8°179.7°
C3C4C11C10166.4°156.2°
C4C3C2H29.6°10.3°
C3C4C8H868.2°60.4°
C3C4C8H8A51.5°61.0°
C3C4C11H1146.4°85.0°
C3C4C11H11A73.0°37.5°
F5C3C4C80.1°0.1°
F5C3C4C11179.7°179.7°
F5C3C2H2170.3°169.8°
C4C8C9H8120.0°119.3°
C4C8C9H8A120.4°119.4°
C4C8C9C100.4°23.1°
C8C4C11C1013.8°24.2°
C4C8H8H8A120.4°121.4°
C4C8C9H9119.7°141.7°
C4C8C9H9A121.3°95.5°
C8C4C11H11133.8°94.7°
C8C4C11H11A106.9°142.8°
C11C4C8C98.3°0.7°
C4C11C10C914.1°37.9°
C4C11C10H11120.0°118.8°
C4C11C10H11A120.6°118.7°
C11C4C8H8111.7°119.9°
C11C4C8H8A128.7°118.7°
C4C11C10H10134.1°80.3°
C4C11C10H10A106.6°156.1°
C4C11H11H11A120.7°122.5°
C7C18C19C20105.2°107.5°
C7C18C19H18128.2°145.0°
C7C18C20H18127.2°145.0°
C18C7C1H132.7°52.4°
C18C7H7H7A118.7°120.0°
C7C18C19H1914.8°0.0°
C7C18C19H19A128.1°145.0°
C7C18C20H20131.3°145.0°
C7C18C20H20A18.0°0.0°
C8C9C10H9120.0°118.6°
C8C9C10H9A120.9°118.6°
C8C9C10C118.8°37.2°
C9C8H8H8A120.4°121.3°
C8C9H9H9A120.9°122.8°
C8C9C10H10128.8°81.1°
C8C9C10H10A112.0°155.2°
C9C10C11H10120.0°118.3°
C9C10C11H10A120.8°118.1°
C10C9C8H8120.4°96.2°
C10C9C8H8A120.0°142.5°
C10C9H9H9A121.0°122.8°
C9C10H10H10A120.8°123.7°
C9C10C11H11134.1°80.8°
C9C10C11H11A106.5°156.6°
C11C10C9H9111.2°155.8°
C11C10C9H9A129.7°81.3°
C11C10H10H10A120.8°123.5°
C10C11H11H11A120.7°122.5°
C19C18C20H18124.0°107.4°
C18C19C20H19120.0°107.5°
C18C19C20H19A126.7°107.5°
C19C18C7H753.5°65.5°
C19C18C7H7A67.9°54.4°
C18C19H19H19A138.7°145.7°
C19C18C20H20120.0°107.5°
C19C18C20H20A126.7°107.5°
C20C18C7H714.7°3.1°
C20C18C7H7A136.0°123.1°
C18C20H20H20A138.6°145.7°
C20C19H19H19A138.7°145.7°
C19C20H20H20A138.5°145.7°
C26N27C28N290.1°0.0°
C26N27C28C31177.0°180.0°
N27C26O30N290.1°0.5°
N27C26C1H16.4°0.0°
O30C26N27C280.1°0.3°
C26O30N29C280.0°0.5°
O30C26C1H1172.9°179.7°
N27C28N29C31177.2°180.0°
N27C28N29O300.1°0.3°
N27C28C31C3222.4°180.0°
N27C28C31C36159.5°0.2°
N29C28C31C32154.2°0.0°
N29C28C31C3623.8°179.7°
C31C28N29O30177.3°179.7°
C28C31C32C36178.3°179.7°
C28C31C32C33177.2°179.9°
C28C31C36C35176.8°179.8°
C28C31C36CL471.4°0.0°
C28C31C32H322.8°0.0°
C31C32C33H32180.0°180.0°
C31C32C33C340.4°0.0°
C32C31C36C351.1°0.5°
C32C31C36CL47179.3°179.7°
C31C32C33H33179.6°180.0°
C36C31C32C331.1°0.2°
C31C36C35C340.4°0.5°
C31C36C35CL47178.4°179.8°
C36C31C32H32178.9°179.8°
C31C36C35H35179.6°179.8°
C32C33C34H33180.0°179.9°
C32C33C34C350.4°0.0°
C32C33C34S40178.3°180.0°
C33C34C35S40178.7°180.0°
C33C34C35C360.3°0.2°
C33C34S40O4123.9°153.9°
C33C34S40O42100.4°26.1°
C33C34S40C43143.4°90.0°
C34C33C32H32179.7°180.0°
C33C34C35H35179.7°180.0°
C34C35C36H35180.0°179.8°
C34C35C36CL47178.8°179.7°
C35C34S40O41154.9°26.0°
C35C34S40O4280.8°153.9°
C35C34S40C4335.3°90.0°
C35C34C33H33179.6°179.9°
S40C34C35C36178.4°179.8°
C34S40O41O42118.3°116.7°
C34S40O41C43113.6°111.7°
C34S40O42C43111.0°111.7°
S40C34C33H331.7°0.0°
S40C34C35H351.6°0.0°
C34S40C43H43164.1°60.0°
C34S40C43H43A44.1°180.0°
C34S40C43H43B75.9°60.0°
CL47C36C35H351.2°0.0°
O41S40O42C43129.0°131.6°
O41S40C43H4347.3°51.6°
O41S40C43H43A72.7°68.4°
O41S40C43H43B167.3°171.6°
O42S40C43H4383.3°171.6°
O42S40C43H43A156.7°68.4°
O42S40C43H43B36.7°51.6°
S40C43H43H43A120.0°119.9°
S40C43H43H43B120.0°120.0°
S40C43H43AH43B120.0°120.0°
H1C1C2H2161.7°59.7°
H1C1C7H7152.7°67.6°
H1C1C7H7A86.0°172.4°
H2C2N6HN688.2°55.9°
H2C2N6HN6A31.8°180.0°
H7C7C18H18161.0°148.8°
H7AC7C18H1877.7°91.3°
H8C8C9H90.3°22.4°
H8C8C9H9A118.7°145.2°
H8AC8C9H9120.0°98.9°
H8AC8C9H9A0.9°23.9°
H9C9C10H108.8°37.5°
H9C9C10H10A128.0°86.2°
H9AC9C10H10110.2°160.3°
H9AC9C10H10A9.0°36.6°
H10C10C11H11105.9°160.9°
H10C10C11H11A13.5°38.4°
H10AC10C11H1113.3°37.3°
H10AC10C11H11A132.7°85.3°
H18C18C19H19113.3°145.0°
H18C18C19H19A0.0°0.1°
H18C18C20H204.1°0.0°
H18C18C20H20A109.2°145.1°
H19C19C20H20120.0°145.0°
H19C19C20H20A6.7°0.0°
H19AC19C20H206.7°0.0°
H19AC19C20H20A106.5°145.0°
H32C32C33H330.4°0.1°
H43C43H43AH43B120.0°120.0°

226707

PDB entries from 2024-10-30

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