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SummaryGeometryRelated PDB entries

N2K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C06C07doub1.38Å1.41ÅAromatic
C06C05sing1.38Å1.42ÅAromatic
C07C08sing1.38Å1.43ÅAromatic
F04C02sing1.40Å1.33Å
F01C02sing1.40Å1.34Å
C05C02sing1.51Å1.55Å
C05C22doub1.38Å1.43ÅAromatic
C08C09sing1.51Å1.54Å
C08C21doub1.38Å1.43ÅAromatic
C02F03sing1.40Å1.34Å
C09S10sing1.81Å1.81Å
C22C21sing1.38Å1.40ÅAromatic
O11S10doub1.42Å1.48Å
S10O20doub1.42Å1.44Å
S10N12sing1.66Å1.63Å
N12C13sing1.47Å1.46Å
C17C16sing1.53Å1.53Å
C13C14sing1.53Å1.52Å
N15C16sing1.47Å1.40Å
N15C14sing1.47Å1.46Å
N15C18sing1.47Å1.50Å
C18C19sing1.53Å1.50Å
N12H1sing0.97Å1.00Å
C13H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C14H4sing1.09Å1.10Å
C14H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C18H9sing1.09Å1.10Å
C18H10sing1.09Å1.10Å
C19H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C06H14sing1.08Å1.08Å
C07H15sing1.08Å1.08Å
C09H16sing1.09Å1.10Å
C09H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C21H20sing1.08Å1.08Å
C22H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C07C06C05119.6°120.0°
C06C07C08120.5°120.0°
C07C06H14120.2°119.9°
C06C07H15119.7°120.0°
C06C05C02120.4°120.0°
C06C05C22120.1°120.0°
C05C06H14120.2°120.1°
C07C08C09121.4°120.0°
C07C08C21119.7°120.0°
C08C07H15119.8°120.0°
F04C02F01111.9°109.4°
F04C02C05107.0°109.5°
F04C02F03109.2°109.5°
F01C02C05114.8°109.5°
F01C02F03106.7°109.5°
C02C05C22119.5°120.0°
C05C02F03107.1°109.5°
C05C22C21120.2°120.0°
C05C22H21119.9°120.1°
C09C08C21118.8°120.0°
C08C09S10112.6°109.5°
C08C09H16108.7°109.5°
C08C09H17108.7°109.5°
C08C21C22119.9°120.0°
C08C21H20120.0°120.0°
C09S10O11114.7°110.6°
C09S10O20114.9°110.6°
C09S10N12107.2°104.5°
S10C09H16108.7°109.5°
S10C09H17108.7°109.5°
C22C21H20120.0°120.0°
C21C22H21119.9°119.9°
O11S10O2097.8°121.0°
O11S10N12108.3°104.3°
O20S10N12113.8°104.2°
S10N12C13112.0°120.0°
S10N12H1108.8°120.0°
N12C13C14116.7°109.4°
C13N12H1108.9°120.0°
N12C13H2107.6°109.5°
N12C13H3107.6°109.4°
C17C16N15115.9°109.5°
C16C17H6109.5°109.4°
C16C17H7109.4°109.5°
C16C17H8109.5°109.5°
C17C16H18107.8°109.5°
C17C16H19107.8°109.5°
C13C14N15117.4°109.4°
C14C13H2107.7°109.6°
C14C13H3107.7°109.5°
C13C14H4107.5°109.5°
C13C14H5107.4°109.5°
C16N15C14110.8°111.1°
C16N15C18112.2°111.0°
N15C16H18107.8°109.5°
N15C16H19107.9°109.4°
C14N15C18110.3°111.0°
N15C14H4107.4°109.5°
N15C14H5107.5°109.4°
N15C18C19115.7°109.5°
N15C18H9107.9°109.5°
N15C18H10107.9°109.4°
C19C18H9107.9°109.5°
C19C18H10107.9°109.5°
C18C19H11109.5°109.5°
C18C19H12109.5°109.5°
C18C19H13109.5°109.5°
H2C13H3109.4°109.5°
H4C14H5109.5°109.5°
H6C17H7109.5°109.5°
H6C17H8109.4°109.5°
H7C17H8109.5°109.5°
H9C18H10109.5°109.5°
H11C19H12109.5°109.5°
H11C19H13109.5°109.4°
H12C19H13109.5°109.4°
H16C09H17109.5°109.4°
H18C16H19109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C07C06C05H14180.0°180.0°
C06C07C08H15180.0°179.9°
C07C06C05C02178.0°180.0°
C07C06C05C221.0°0.2°
C06C07C08C09177.8°180.0°
C06C07C08C210.5°0.0°
C05C06C07C080.2°0.0°
C06C05C02F0412.7°30.3°
C06C05C02F01112.1°150.2°
C06C05C02C22177.1°179.8°
C06C05C02F03129.7°89.7°
C06C05C22C210.9°0.5°
C05C06C07H15179.8°179.9°
C06C05C22H21179.1°179.7°
C07C08C09C21177.3°180.0°
C07C08C09S1097.8°90.0°
C07C08C21C220.6°0.3°
C08C07C06H14179.8°180.0°
C07C08C09H16141.7°150.0°
C07C08C09H1722.7°30.0°
C07C08C21H20179.4°179.9°
F04C02F01C05122.1°120.0°
F04C02F01F03119.3°120.0°
F04C02C05F03117.0°120.0°
F04C02C05C22164.4°149.9°
F01C02C05F03118.2°120.0°
F01C02C05C2270.9°30.0°
C02C05C22C21178.0°179.7°
C02C05C06H142.0°0.0°
C02C05C22H212.0°0.0°
C05C22C21C080.2°0.6°
C22C05C02F0347.4°90.0°
C05C22C21H21180.0°179.7°
C22C05C06H14179.0°179.7°
C05C22C21H20179.8°179.8°
C08C09S10H16120.5°120.0°
C08C09S10H17120.5°120.0°
C09C08C21C22177.9°179.7°
C08C09S10O1173.3°68.4°
C08C09S10O20174.4°68.4°
C08C09S10N1247.0°180.0°
C09C08C07H152.2°0.1°
C08C09H16H17118.5°120.0°
C09C08C21H202.1°0.1°
C21C08C09S1079.5°90.0°
C08C21C22H20180.0°179.6°
C21C08C07H15179.4°179.9°
C21C08C09H1641.0°30.0°
C21C08C09H17160.0°150.0°
C08C21C22H21179.8°179.7°
C09S10O11O20122.1°131.6°
C09S10O11N12119.7°111.8°
C09S10O20N12124.1°111.7°
C09S10N12C1390.9°64.9°
C09S10N12H1148.7°114.7°
S10C09H16H17118.6°120.0°
O11S10O20N12114.0°116.7°
O11S10N12C13144.8°179.0°
O11S10N12H124.4°1.4°
O11S10C09H16166.2°51.6°
O11S10C09H1747.2°171.6°
O20S10N12C1337.2°51.1°
O20S10N12H183.2°129.2°
O20S10C09H1654.0°171.6°
O20S10C09H1765.1°51.6°
S10N12C13H1120.4°179.6°
S10N12C13C1483.7°165.3°
S10N12C13H2155.3°74.6°
S10N12C13H337.4°45.3°
N12S10C09H1673.5°60.0°
N12S10C09H17167.4°59.9°
N12C13C14H2121.1°120.0°
N12C13C14H3121.0°119.9°
N12C13C14N1592.2°180.0°
N12C13H2H3116.7°119.9°
N12C13C14H428.9°60.0°
N12C13C14H5146.6°60.1°
C17C16N15H18120.9°120.1°
C17C16N15H19120.9°120.0°
C17C16N15C1483.3°164.6°
C17C16N15C18153.0°71.4°
C16C17H6H7120.0°120.0°
C16C17H6H8120.0°120.0°
C16C17H7H8120.0°120.0°
C17C16H18H19117.1°120.0°
C13C14N15C1695.8°66.0°
C13C14N15H4121.2°120.0°
C13C14N15H5121.1°119.9°
C13C14N15C18139.3°170.0°
C14C13N12H136.7°15.1°
C14C13H2H3116.7°120.0°
C13C14H4H5116.4°120.0°
C16N15C14C18124.9°124.0°
C16N15C18C1970.5°163.8°
C16N15C14H4143.0°174.0°
C16N15C14H525.3°54.0°
N15C16C17H6180.0°63.3°
N15C16C17H760.0°56.7°
N15C16C17H860.0°176.8°
C16N15C18H950.4°43.8°
C16N15C18H10168.6°76.2°
N15C16H18H19117.1°119.9°
C14N15C18C1953.5°72.2°
N15C14C13H2146.7°60.0°
N15C14C13H328.8°60.1°
N15C14H4H5116.4°120.0°
C14N15C18H9174.4°167.8°
C14N15C18H1067.4°47.8°
C14N15C16H1837.6°44.5°
C14N15C16H19155.8°75.4°
N15C18C19H9120.9°120.0°
N15C18C19H10120.9°119.9°
C18N15C14H418.1°50.0°
C18N15C14H599.6°70.0°
N15C18H9H10117.2°120.0°
N15C18C19H11180.0°52.4°
N15C18C19H1260.0°67.6°
N15C18C19H1360.0°172.4°
C18N15C16H1886.1°168.5°
C18N15C16H1932.0°48.6°
C19C18H9H10117.2°120.0°
C18C19H11H12120.0°120.1°
C18C19H11H13120.0°120.0°
C18C19H12H13120.0°120.0°
H1N12C13H284.4°105.0°
H1N12C13H3157.8°135.0°
H2C13C14H492.1°180.0°
H2C13C14H525.6°59.9°
H3C13C14H4150.0°60.0°
H3C13C14H592.3°180.0°
H6C17H7H8120.0°120.0°
H6C17C16H1859.1°56.7°
H6C17C16H1959.1°176.7°
H7C17C16H1860.9°176.7°
H7C17C16H19179.1°63.3°
H8C17C16H18179.1°63.2°
H8C17C16H1960.9°56.8°
H9C18C19H1159.1°67.6°
H9C18C19H12179.1°172.4°
H9C18C19H1360.9°52.4°
H10C18C19H1159.1°172.4°
H10C18C19H1260.9°52.3°
H10C18C19H13179.1°67.7°
H11C19H12H13120.0°119.9°
H14C06C07H150.2°0.1°
H20C21C22H210.2°0.0°

225158

PDB entries from 2024-09-18

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