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95J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O17S1doub1.42Å1.43Å
S6C2sing1.76Å1.71ÅAromatic
S6C8sing1.76Å1.75ÅAromatic
N14O20sing1.21Å1.44ÅAromatic
N14C11doub1.31Å1.35ÅAromatic
O20C22sing1.34Å1.33ÅAromatic
S1O18doub1.42Å1.43Å
S1C2sing1.76Å1.74Å
S1N4sing1.66Å1.64Å
C11C8sing1.48Å1.46Å
C11C19sing1.43Å1.44ÅAromatic
C2C13doub1.34Å1.37ÅAromatic
C22C19doub1.35Å1.32ÅAromatic
C8C15doub1.35Å1.37ÅAromatic
C13C15sing1.38Å1.40ÅAromatic
N4C7sing1.35Å1.39Å
C7O21doub1.22Å1.22Å
C7N9sing1.35Å1.40Å
N9C3sing1.39Å1.38Å
C3N10doub1.30Å1.31ÅAromatic
C3S5sing1.71Å1.73ÅAromatic
N10C16sing1.32Å1.38ÅAromatic
S5C12sing1.76Å1.69ÅAromatic
C16C12doub1.33Å1.34ÅAromatic
C12BR23sing1.89Å1.88Å
C15H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C16H3sing1.08Å1.08Å
C19H4sing1.08Å1.08Å
C22H5sing1.08Å1.08Å
N4H6sing0.97Å1.00Å
N9H7sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O17S1O18118.6°123.1°
O17S1C2106.2°106.4°
O17S1N4106.4°106.4°
C2S6C891.3°91.0°
S6C2S1120.3°125.1°
S6C2C13112.4°109.8°
S6C8C11121.5°125.2°
S6C8C15110.5°109.4°
O20N14C11105.6°111.3°
N14O20C22108.3°111.9°
N14C11C8125.3°126.9°
N14C11C19108.3°106.1°
O20C22C19111.2°106.8°
O20C22H5124.4°126.6°
O18S1C2106.9°106.4°
O18S1N4103.7°106.4°
C2S1N4115.6°107.2°
S1C2C13127.4°125.1°
S1N4C7122.1°120.0°
S1N4H6118.9°120.0°
C8C11C19126.3°127.0°
C11C8C15128.0°125.3°
C11C19C22106.6°103.9°
C11C19H4126.7°128.0°
C2C13C15112.7°115.0°
C2C13H2123.7°122.4°
C22C19H4126.7°128.1°
C19C22H5124.4°126.6°
C8C15C13113.1°114.8°
C8C15H1123.4°122.7°
C13C15H1123.4°122.6°
C15C13H2123.7°122.5°
N4C7O21120.0°120.0°
N4C7N9117.1°120.0°
C7N4H6118.9°120.0°
O21C7N9122.8°120.0°
C7N9C3123.4°120.0°
C7N9H7118.3°120.0°
N9C3N10121.1°124.9°
N9C3S5123.1°124.9°
C3N9H7118.3°120.0°
N10C3S5115.3°110.1°
C3N10C16109.5°116.9°
C3S5C1288.1°90.3°
N10C16C12114.8°114.6°
N10C16H3122.6°122.7°
S5C12C16112.2°108.1°
S5C12BR23119.1°125.9°
C16C12BR23128.7°126.0°
C12C16H3122.6°122.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O17S1C2S626.7°23.9°
O17S1O18C2119.8°122.9°
O17S1O18N4117.6°123.0°
O17S1C2N4117.6°113.6°
O17S1C2C13152.5°156.4°
O17S1N4C7173.2°48.6°
O17S1N4H66.8°131.5°
S6C2S1O18154.2°156.8°
S6C2S1C13179.2°179.7°
S6C2S1N490.9°89.7°
C2S6C8C11180.0°179.9°
C2S6C8C150.7°0.3°
S6C2C13C151.3°0.2°
S6C2C13H2178.7°180.0°
S6C8C11N1410.4°179.3°
C8S6C2S1179.5°179.9°
S6C8C11C15179.1°179.7°
S6C8C11C19170.0°0.3°
C8S6C2C131.1°0.3°
S6C8C15C130.1°0.3°
S6C8C15H1179.9°179.7°
O20N14C11C8180.0°179.8°
O20N14C11C190.3°0.5°
N14O20C22C190.1°0.3°
N14O20C22H5179.9°179.7°
C11N14O20C220.2°0.5°
N14C11C8C19179.6°179.7°
N14C11C19C220.4°0.3°
N14C11C8C15170.5°0.3°
N14C11C19H4179.6°179.7°
O20C22C19C110.3°0.0°
O20C22C19H5180.0°180.0°
O20C22C19H4179.7°180.0°
O18S1C2N4114.9°113.6°
O18S1C2C1325.0°23.5°
O18S1N4C747.4°178.5°
O18S1N4H6132.6°1.4°
S1C2C13C15179.4°180.0°
C2S1N4C769.3°65.0°
S1C2C13H20.6°0.2°
C2S1N4H6110.7°115.0°
N4S1C2C1389.8°90.0°
S1N4C7H6180.0°180.0°
S1N4C7O211.9°0.0°
S1N4C7N9178.6°179.7°
C8C11C19C22179.9°180.0°
C11C8C15C13179.3°180.0°
C11C8C15H10.7°0.0°
C8C11C19H40.1°0.0°
C11C19C22H4180.0°180.0°
C19C11C8C159.1°180.0°
C11C19C22H5179.7°180.0°
C2C13C15C80.8°0.0°
C2C13C15H2180.0°179.8°
C2C13C15H1179.2°179.9°
C8C15C13H1180.0°180.0°
C8C15C13H2179.3°179.8°
N4C7O21N9179.4°179.7°
N4C7N9C3176.6°179.7°
N4C7N9H73.4°0.2°
O21C7N9C33.9°0.0°
O21C7N4H6178.1°180.0°
O21C7N9H7176.1°180.0°
C7N9C3H7180.0°179.9°
C7N9C3N10161.1°179.9°
C7N9C3S511.3°0.3°
N9C7N4H61.4°0.2°
N9C3N10S5173.0°179.8°
N9C3N10C16176.1°179.7°
N9C3S5C12176.0°179.8°
N10C3S5C123.2°0.0°
C3N10C16C121.3°0.1°
C3N10C16H3178.7°180.0°
N10C3N9H718.9°0.0°
S5C3N10C163.1°0.1°
C3S5C12C162.2°0.0°
C3S5C12BR23179.1°180.0°
S5C3N9H7168.7°179.8°
N10C16C12S51.0°0.0°
N10C16C12H3180.0°179.9°
N10C16C12BR23179.6°180.0°
S5C12C16BR23178.5°179.9°
S5C12C16H3179.0°180.0°
BR23C12C16H30.4°0.1°
H1C15C13H20.7°0.3°
H4C19C22H50.3°0.0°

217705

PDB entries from 2024-03-27

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