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R19

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2AC1Asing1.51Å1.51Å
C2AC3Adoub1.31Å1.34Å
C2AH2Asing1.08Å1.06Å
C1AN1sing1.47Å1.49Å
C1AH1A1sing1.09Å1.10Å
C1AH1A2sing1.09Å1.10Å
N1C1Esing1.47Å1.49Å
N1C1Bsing1.47Å1.51Å
C1EH1E1sing1.09Å1.10Å
C1EH1E2sing1.09Å1.10Å
C1EH1E3sing1.09Å1.10Å
C1BC2Bsing1.53Å1.57Å
C1BH1B1sing1.09Å1.10Å
C1BH1B2sing1.09Å1.10Å
C2BC3Bsing1.53Å1.55Å
C2BH2B1sing1.09Å1.10Å
C2BH2B2sing1.09Å1.10Å
C3BC4Bsing1.53Å1.54Å
C3BH3B1sing1.09Å1.10Å
C3BH3B2sing1.09Å1.10Å
C4BC5Bsing1.53Å1.53Å
C4BH4B1sing1.09Å1.10Å
C4BH4B2sing1.09Å1.10Å
C5BC6Bsing1.53Å1.53Å
C5BH5B1sing1.09Å1.10Å
C5BH5B2sing1.09Å1.10Å
C6BO7Bsing1.43Å1.43Å
C6BH6B1sing1.09Å1.10Å
C6BH6B2sing1.09Å1.10Å
O7BC6Csing1.36Å1.40Å
C6CC5Cdoub1.39Å1.42ÅAromatic
C6CC7Csing1.38Å1.42ÅAromatic
C5CC4Csing1.37Å1.43ÅAromatic
C5CH5Csing1.08Å1.06Å
C4CC3Pdoub1.39Å1.40ÅAromatic
C4CH4Csing1.08Å1.06Å
C3PC3Csing1.47Å1.45ÅAromatic
C3PC7Psing1.40Å1.45ÅAromatic
C3CC1Dsing1.48Å1.53ÅAromatic
C3CC2Cdoub1.35Å1.38ÅAromatic
C1DC6Ddoub1.39Å1.43ÅAromatic
C1DC2Dsing1.39Å1.42ÅAromatic
C6DC5Dsing1.38Å1.43ÅAromatic
C6DH6Dsing1.08Å1.06Å
C5DC4Ddoub1.38Å1.44ÅAromatic
C5DH5Dsing1.08Å1.06Å
C4DBR27sing1.89Å1.90Å
C4DC3Dsing1.38Å1.43ÅAromatic
C3DC2Ddoub1.38Å1.42ÅAromatic
C3DH3Dsing1.08Å1.06Å
C2DH2Dsing1.08Å1.06Å
C2CO1Csing1.34Å1.40ÅAromatic
C2CH2Csing1.08Å1.06Å
O1CC7Psing1.35Å1.37ÅAromatic
C7PC7Cdoub1.39Å1.42ÅAromatic
C7CH7Csing1.08Å1.06Å
C3AH3A1sing1.08Å1.06Å
C3AH3A2sing1.08Å1.06Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1AC2AC3A123.0°120.0°
C1AC2AH2A118.5°120.0°
C2AC1AN1112.7°109.5°
C2AC1AH1A1108.6°109.4°
C2AC1AH1A2107.6°109.5°
C3AC2AH2A118.5°120.0°
C2AC3AH3A1120.0°120.0°
C2AC3AH3A2120.0°120.0°
N1C1AH1A1108.7°109.5°
N1C1AH1A2107.6°109.5°
C1AN1C1E110.5°106.7°
C1AN1C1B112.5°106.7°
H1A1C1AH1A2111.7°109.4°
C1EN1C1B109.9°106.7°
N1C1EH1E1109.5°109.5°
N1C1EH1E2109.5°109.5°
N1C1EH1E3109.5°109.5°
N1C1BC2B116.8°109.4°
N1C1BH1B1107.6°109.5°
N1C1BH1B2105.2°109.4°
H1E1C1EH1E2109.4°109.5°
H1E1C1EH1E3109.4°109.5°
H1E2C1EH1E3109.5°109.5°
C2BC1BH1B1107.6°109.5°
C2BC1BH1B2105.2°109.5°
C1BC2BC3B111.4°109.4°
C1BC2BH2B1109.0°109.4°
C1BC2BH2B2108.3°109.5°
H1B1C1BH1B2114.8°109.6°
C3BC2BH2B1109.0°109.5°
C3BC2BH2B2108.4°109.5°
C2BC3BC4B111.3°109.4°
C2BC3BH3B1109.0°109.4°
C2BC3BH3B2108.4°109.5°
H2B1C2BH2B2110.8°109.5°
C4BC3BH3B1109.0°109.5°
C4BC3BH3B2108.4°109.5°
C3BC4BC5B110.1°109.5°
C3BC4BH4B1109.3°109.5°
C3BC4BH4B2109.1°109.5°
H3B1C3BH3B2110.7°109.5°
C5BC4BH4B1109.3°109.3°
C5BC4BH4B2109.2°109.4°
C4BC5BC6B109.6°109.5°
C4BC5BH5B1109.4°109.4°
C4BC5BH5B2109.4°109.5°
H4B1C4BH4B2109.8°109.6°
C6BC5BH5B1109.4°109.5°
C6BC5BH5B2109.4°109.5°
C5BC6BO7B108.2°109.5°
C5BC6BH6B1109.8°109.5°
C5BC6BH6B2110.2°109.5°
H5B1C5BH5B2109.6°109.4°
O7BC6BH6B1109.8°109.4°
O7BC6BH6B2110.2°109.5°
C6BO7BC6C115.8°106.8°
H6B1C6BH6B2108.6°109.5°
O7BC6CC5C119.1°119.7°
O7BC6CC7C120.1°119.7°
C5CC6CC7C120.7°120.6°
C6CC5CC4C121.8°120.3°
C6CC5CH5C119.1°119.8°
C6CC7CC7P117.9°119.7°
C6CC7CH7C121.0°120.1°
C4CC5CH5C119.1°119.8°
C5CC4CC3P117.8°119.8°
C5CC4CH4C121.1°120.2°
C3PC4CH4C121.1°120.0°
C4CC3PC3C132.0°134.2°
C4CC3PC7P120.5°120.3°
C3CC3PC7P107.5°105.5°
C3PC3CC1D129.3°127.0°
C3PC3CC2C104.9°105.9°
C3PC7PO1C107.3°107.5°
C3PC7PC7C121.2°119.2°
C1DC3CC2C125.8°127.0°
C3CC1DC6D121.2°120.2°
C3CC1DC2D119.7°120.1°
C3CC2CO1C111.8°109.9°
C3CC2CH2C124.1°125.0°
C6DC1DC2D119.1°119.8°
C1DC6DC5D120.5°119.9°
C1DC6DH6D119.8°120.0°
C1DC2DC3D120.8°119.8°
C1DC2DH2D119.6°120.1°
C5DC6DH6D119.8°120.1°
C6DC5DC4D120.3°120.1°
C6DC5DH5D119.8°119.9°
C4DC5DH5D119.8°120.0°
C5DC4DBR27121.5°119.9°
C5DC4DC3D118.6°120.2°
BR27C4DC3D120.0°119.9°
C4DC3DC2D120.8°120.2°
C4DC3DH3D119.6°119.9°
C2DC3DH3D119.6°119.9°
C3DC2DH2D119.6°120.1°
O1CC2CH2C124.1°125.1°
C2CO1CC7P108.5°111.1°
O1CC7PC7C131.5°133.2°
C7PC7CH7C121.1°120.1°
H3A1C3AH3A2120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1AC2AC3AH2A180.0°180.0°
C2AC1AN1H1A1120.5°120.0°
C2AC1AN1H1A2118.4°120.1°
C2AC1AH1A1H1A2118.5°120.0°
C2AC1AN1C1E87.7°66.2°
C2AC1AN1C1B149.1°180.0°
C1AC2AC3AH3A10.0°180.0°
C1AC2AC3AH3A2180.0°0.1°
C3AC2AC1AN1156.4°120.0°
C3AC2AC1AH1A183.1°0.0°
C3AC2AC1AH1A237.9°119.9°
C2AC3AH3A1H3A2180.0°179.9°
H2AC2AC1AN123.6°60.0°
H2AC2AC1AH1A196.8°180.0°
H2AC2AC1AH1A2142.1°60.0°
H2AC2AC3AH3A1180.0°0.1°
H2AC2AC3AH3A20.0°180.0°
N1C1AH1A1H1A2118.5°120.0°
C1AN1C1EC1B124.8°113.8°
C1AN1C1EH1E18.8°66.2°
C1AN1C1EH1E2128.8°53.8°
C1AN1C1EH1E3111.2°173.8°
C1AN1C1BC2B64.9°180.0°
C1AN1C1BH1B156.2°60.0°
C1AN1C1BH1B2179.0°60.1°
H1A1C1AN1C1E32.8°173.8°
H1A1C1AN1C1B90.4°60.0°
H1A2C1AN1C1E153.9°53.8°
H1A2C1AN1C1B30.7°59.9°
N1C1EH1E1H1E2120.0°120.0°
N1C1EH1E1H1E3120.0°120.0°
N1C1EH1E2H1E3120.0°120.0°
C1EN1C1BC2B58.7°66.2°
C1EN1C1BH1B1179.8°53.7°
C1EN1C1BH1B257.5°173.8°
C1BN1C1EH1E1116.0°180.0°
C1BN1C1EH1E24.0°60.0°
C1BN1C1EH1E3124.0°60.0°
N1C1BC2BH1B1121.0°120.0°
N1C1BC2BH1B2116.1°119.9°
N1C1BH1B1H1B2116.7°120.0°
N1C1BC2BC3B95.3°180.0°
N1C1BC2BH2B1144.5°60.0°
N1C1BC2BH2B223.8°60.0°
H1E1C1EH1E2H1E3120.0°120.0°
C2BC1BH1B1H1B2116.7°120.1°
C1BC2BC3BH2B1120.3°119.9°
C1BC2BC3BH2B2119.1°120.0°
C1BC2BH2B1H2B2119.1°120.0°
C1BC2BC3BC4B107.1°180.0°
C1BC2BC3BH3B1132.7°60.0°
C1BC2BC3BH3B212.1°60.0°
H1B1C1BC2BC3B25.8°60.1°
H1B1C1BC2BH2B194.5°180.0°
H1B1C1BC2BH2B2144.9°59.9°
H1B2C1BC2BC3B148.6°60.1°
H1B2C1BC2BH2B128.3°59.9°
H1B2C1BC2BH2B292.3°179.9°
C3BC2BH2B1H2B2119.1°120.0°
C2BC3BC4BH3B1120.3°120.0°
C2BC3BC4BH3B2119.1°120.0°
C2BC3BH3B1H3B2119.2°120.0°
C2BC3BC4BC5B115.0°180.0°
C2BC3BC4BH4B1125.0°60.1°
C2BC3BC4BH4B24.8°60.0°
H2B1C2BC3BC4B13.3°60.1°
H2B1C2BC3BH3B1107.0°179.9°
H2B1C2BC3BH3B2132.4°59.9°
H2B2C2BC3BC4B133.9°60.0°
H2B2C2BC3BH3B113.6°60.0°
H2B2C2BC3BH3B2107.0°180.0°
C4BC3BH3B1H3B2119.2°120.0°
C3BC4BC5BH4B1120.1°119.9°
C3BC4BC5BH4B2119.7°120.1°
C3BC4BH4B1H4B2119.7°120.2°
C3BC4BC5BC6B143.0°180.0°
C3BC4BC5BH5B197.0°60.0°
C3BC4BC5BH5B223.1°59.9°
H3B1C3BC4BC5B5.3°60.1°
H3B1C3BC4BH4B1114.8°179.9°
H3B1C3BC4BH4B2125.1°59.9°
H3B2C3BC4BC5B125.9°60.0°
H3B2C3BC4BH4B15.8°59.9°
H3B2C3BC4BH4B2114.3°180.0°
C5BC4BH4B1H4B2119.8°119.9°
C4BC5BC6BH5B1120.0°119.9°
C4BC5BC6BH5B2119.9°120.1°
C4BC5BH5B1H5B2119.9°120.0°
C4BC5BC6BO7B131.2°179.9°
C4BC5BC6BH6B1109.0°60.1°
C4BC5BC6BH6B210.6°60.0°
H4B1C4BC5BC6B23.0°60.1°
H4B1C4BC5BH5B1143.0°180.0°
H4B1C4BC5BH5B297.0°60.0°
H4B2C4BC5BC6B97.2°59.9°
H4B2C4BC5BH5B122.8°60.0°
H4B2C4BC5BH5B2142.8°180.0°
C6BC5BH5B1H5B2119.9°120.0°
C5BC6BO7BH6B1119.8°120.0°
C5BC6BO7BH6B2120.6°120.0°
C5BC6BH6B1H6B2120.6°120.0°
C5BC6BO7BC6C151.6°180.0°
H5B1C5BC6BO7B11.2°60.0°
H5B1C5BC6BH6B1131.0°180.0°
H5B1C5BC6BH6B2109.4°60.0°
H5B2C5BC6BO7B108.9°60.0°
H5B2C5BC6BH6B110.9°60.0°
H5B2C5BC6BH6B2130.5°179.9°
O7BC6BH6B1H6B2120.6°120.0°
C6BO7BC6CC5C84.1°0.0°
C6BO7BC6CC7C96.3°179.7°
H6B1C6BO7BC6C88.6°60.0°
H6B2C6BO7BC6C31.1°60.0°
O7BC6CC5CC7C179.6°179.8°
O7BC6CC5CC4C179.7°180.0°
O7BC6CC5CH5C0.3°0.1°
O7BC6CC7CC7P179.8°179.7°
O7BC6CC7CH7C0.2°0.3°
C6CC5CC4CH5C180.0°179.9°
C6CC5CC4CC3P0.0°0.1°
C6CC5CC4CH4C180.0°180.0°
C5CC6CC7CC7P0.2°0.5°
C5CC6CC7CH7C179.8°180.0°
C7CC6CC5CC4C0.1°0.2°
C7CC6CC5CH5C179.9°179.7°
C6CC7CC7PC3P0.2°0.5°
C6CC7CC7PO1C179.9°179.8°
C6CC7CC7PH7C180.0°179.4°
C5CC4CC3PH4C180.0°180.0°
C5CC4CC3PC3C179.9°180.0°
C5CC4CC3PC7P0.1°0.0°
H5CC5CC4CC3P180.0°180.0°
H5CC5CC4CH4C0.0°0.0°
C4CC3PC3CC7P179.9°180.0°
C4CC3PC3CC1D0.4°0.1°
C4CC3PC3CC2C179.9°180.0°
C4CC3PC7PO1C180.0°180.0°
C4CC3PC7PC7C0.1°0.3°
H4CC4CC3PC3C0.1°0.0°
H4CC4CC3PC7P180.0°180.0°
C3PC3CC1DC2C179.7°179.9°
C3PC3CC1DC6D53.7°120.0°
C3PC3CC1DC2D127.0°59.8°
C3PC3CC2CO1C0.1°0.0°
C3PC3CC2CH2C180.0°180.0°
C3CC3PC7PO1C0.1°0.0°
C3CC3PC7PC7C180.0°179.7°
C7PC3PC3CC1D179.7°180.0°
C7PC3PC3CC2C0.0°0.0°
C3PC7PO1CC2C0.1°0.0°
C3PC7PO1CC7C179.9°179.7°
C3PC7PC7CH7C179.8°180.0°
C3CC1DC6DC2D179.3°179.7°
C3CC1DC6DC5D179.1°180.0°
C3CC1DC6DH6D0.9°0.0°
C3CC1DC2DC3D179.1°179.7°
C3CC1DC2DH2D0.9°0.3°
C1DC3CC2CO1C179.7°180.0°
C1DC3CC2CH2C0.3°0.1°
C2CC3CC1DC6D126.0°59.9°
C2CC3CC1DC2D53.3°120.3°
C3CC2CO1CH2C180.0°180.0°
C3CC2CO1CC7P0.1°0.0°
C1DC6DC5DH6D180.0°180.0°
C1DC6DC5DC4D0.0°0.0°
C1DC6DC5DH5D180.0°180.0°
C6DC1DC2DC3D0.3°0.5°
C6DC1DC2DH2D179.7°180.0°
C2DC1DC6DC5D0.3°0.2°
C2DC1DC6DH6D179.7°179.8°
C1DC2DC3DC4D0.0°0.5°
C1DC2DC3DH2D180.0°179.5°
C1DC2DC3DH3D180.0°179.8°
C6DC5DC4DH5D180.0°180.0°
C6DC5DC4DBR27179.3°180.0°
C6DC5DC4DC3D0.2°0.1°
H6DC6DC5DC4D180.0°180.0°
H6DC6DC5DH5D0.0°0.0°
C5DC4DBR27C3D179.5°179.9°
C5DC4DC3DC2D0.2°0.2°
C5DC4DC3DH3D179.7°179.9°
H5DC5DC4DBR270.7°0.0°
H5DC5DC4DC3D179.8°180.0°
BR27C4DC3DC2D179.3°179.7°
BR27C4DC3DH3D0.7°0.0°
C4DC3DC2DH3D180.0°179.7°
C4DC3DC2DH2D180.0°180.0°
H3DC3DC2DH2D0.0°0.3°
C2CO1CC7PC7C180.0°179.7°
H2CC2CO1CC7P179.9°180.0°
O1CC7PC7CH7C0.1°0.4°

226262

PDB entries from 2024-10-16

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