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B5P

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.54Å
C2C3sing1.53Å1.55Å
C2C4sing1.53Å1.51Å
C5C4sing1.53Å1.56Å
C5N1sing1.47Å1.46Å
C6C7sing1.46Å1.49Å
C6O1doub1.22Å1.29Å
C7C12sing1.47Å1.45Å
N1C6sing1.35Å1.43Å
N2C8sing1.37Å1.34Å
C8O2sing1.35Å1.31Å
C8C7doub1.39Å1.53Å
N3C11doub1.32Å1.36ÅAromatic
C9N2sing1.38Å1.34ÅAromatic
C10N3sing1.34Å1.35ÅAromatic
C10C9doub1.34Å1.37ÅAromatic
C11N2sing1.36Å1.34ÅAromatic
C11N1sing1.38Å1.36Å
C12N4doub1.30Å1.33Å
C12N5sing1.36Å1.36Å
C13C19doub1.38Å1.41ÅAromatic
C14C15doub1.39Å1.43ÅAromatic
C14C13sing1.39Å1.49ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
S2C18sing1.81Å1.68Å
S2O6doub1.42Å1.46Å
O5S2doub1.42Å1.43Å
N6S2sing1.66Å1.61Å
C17N6sing1.40Å1.36Å
C19C17sing1.39Å1.42ÅAromatic
S1O3doub1.42Å1.42Å
S1O4doub1.42Å1.43Å
S1C13sing1.76Å1.64Å
N4S1sing1.66Å1.62Å
C16C17doub1.39Å1.42ÅAromatic
N5C14sing1.40Å1.34Å
C1H11sing1.09Å1.10Å
C1H21sing1.09Å1.10Å
C1H31sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C3H13sing1.09Å1.10Å
C3H23sing1.09Å1.10Å
C3H33sing1.09Å1.10Å
C4H14sing1.09Å1.10Å
C4H24sing1.09Å1.10Å
C5H15sing1.09Å1.10Å
C5H25sing1.09Å1.10Å
O2H12sing0.97Å0.95Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C15H15Asing1.08Å1.08Å
C18H118sing1.09Å1.10Å
C18H218sing1.09Å1.10Å
C18H318sing1.09Å1.10Å
N6HN6sing0.97Å1.00Å
C19H19sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
N5H22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3109.3°109.5°
C1C2C4107.5°109.5°
C2C1H11109.5°109.5°
C2C1H21109.4°109.5°
C2C1H31109.5°109.5°
C1C2H2114.1°109.5°
C3C2C4117.4°109.4°
C3C2H2103.4°109.4°
C2C3H13109.5°109.4°
C2C3H23109.5°109.5°
C2C3H33109.4°109.4°
C2C4C5110.0°109.4°
C4C2H2105.4°109.5°
C2C4H14109.3°109.5°
C2C4H24109.2°109.5°
C4C5N1111.1°109.5°
C5C4H14109.3°109.5°
C5C4H24109.2°109.5°
C4C5H15108.9°109.5°
C4C5H25108.6°109.5°
C5N1C6117.7°119.7°
C5N1C11120.5°119.7°
N1C5H15108.9°109.4°
N1C5H25108.6°109.5°
C7C6O1122.5°120.5°
C6C7C12120.3°120.7°
C7C6N1115.2°119.1°
C6C7C8115.9°118.6°
O1C6N1122.3°120.4°
C12C7C8120.7°120.7°
C7C12N4119.5°117.3°
C7C12N5116.5°117.3°
C6N1C11121.8°120.6°
N2C8O2117.0°120.2°
N2C8C7122.1°119.6°
C8N2C9132.7°131.7°
C8N2C11118.1°121.2°
O2C8C7120.6°120.2°
C8O2H12109.5°117.0°
C11N3C10106.0°109.5°
N3C11N2109.0°108.1°
N3C11N1124.7°131.0°
N2C9C10106.6°106.8°
C9N2C11109.1°107.1°
N2C9H9126.7°126.6°
N3C10C9109.3°108.5°
N3C10H10125.3°125.8°
C10C9H9126.7°126.6°
C9C10H10125.3°125.7°
N2C11N1126.3°120.9°
N4C12N5120.3°125.5°
C12N4S1122.2°120.9°
C12N5C14128.9°124.4°
C12N5H22115.6°117.8°
C19C13C14116.2°120.6°
C13C19C17119.6°119.8°
C19C13S1125.8°120.7°
C13C19H19120.2°120.1°
C15C14C13122.2°119.5°
C14C15C16119.4°120.0°
C15C14N5118.8°120.4°
C14C15H15A120.3°120.0°
C14C13S1117.8°118.7°
C13C14N5118.9°120.1°
C15C16C17118.9°120.2°
C16C15H15A120.3°119.9°
C15C16H16120.6°119.9°
C18S2O6106.6°110.6°
C18S2O5108.5°110.6°
C18S2N6108.9°104.4°
S2C18H118109.5°109.5°
S2C18H218109.5°109.5°
S2C18H318109.5°109.5°
O6S2O5113.0°121.0°
O6S2N6107.8°104.3°
O5S2N6111.8°104.2°
S2N6C17126.5°120.0°
S2N6HN6104.1°120.0°
N6C17C19120.7°120.1°
N6C17C16115.5°120.1°
C17N6HN6104.2°120.0°
C19C17C16123.7°119.8°
C17C19H19120.2°120.1°
O3S1O4109.5°123.3°
O3S1C13113.2°106.6°
O3S1N4109.9°106.7°
O4S1C13113.3°106.5°
O4S1N4101.4°106.6°
C13S1N4108.7°106.0°
C17C16H16120.6°119.9°
C14N5H22115.5°117.8°
H11C1H21109.5°109.5°
H11C1H31109.5°109.4°
H21C1H31109.5°109.5°
H13C3H23109.5°109.5°
H13C3H33109.4°109.5°
H23C3H33109.5°109.5°
H14C4H24109.8°109.5°
H15C5H25110.8°109.5°
H118C18H218109.5°109.5°
H118C18H318109.4°109.5°
H218C18H318109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C4122.6°120.0°
C1C2C3H2121.9°120.0°
C1C2C4H2122.1°120.0°
C1C2C4C561.7°65.0°
C2C1H11H21120.0°120.1°
C2C1H11H31120.0°120.0°
C2C1H21H31120.0°120.0°
C1C2C3H13166.4°60.0°
C1C2C3H2346.4°180.0°
C1C2C3H3373.7°60.0°
C1C2C4H1458.3°175.0°
C1C2C4H24178.5°55.0°
C3C2C4H2114.4°120.0°
C3C2C4C5174.8°175.0°
C3C2C1H11105.3°180.0°
C3C2C1H21134.7°60.0°
C3C2C1H3114.7°60.0°
C2C3H13H23120.0°120.0°
C2C3H13H33120.0°120.0°
C2C3H23H33120.0°120.0°
C3C2C4H1465.2°55.0°
C3C2C4H2455.0°65.0°
C2C4C5H14120.0°120.0°
C2C4C5H24119.8°120.0°
C2C4C5N169.7°180.0°
C4C2C1H1123.1°60.1°
C4C2C1H2196.9°60.0°
C4C2C1H31143.1°180.0°
C4C2C3H1343.7°60.0°
C4C2C3H2376.3°60.0°
C4C2C3H33163.7°180.0°
C2C4H14H24119.8°120.0°
C2C4C5H1550.3°60.0°
C2C4C5H25171.0°60.0°
C4C5N1H15120.0°120.0°
C4C5N1H25119.3°120.0°
C4C5N1C666.6°90.0°
C4C5N1C11114.1°90.0°
C5C4C2H260.4°55.0°
C5C4H14H24119.8°120.0°
C4C5H15H25119.3°120.0°
C5N1C6C7175.7°180.0°
C5N1C6O11.7°0.3°
C5N1C6C11179.3°180.0°
C5N1C11N31.4°0.5°
C5N1C11N2178.6°179.5°
N1C5C4H14170.3°60.0°
N1C5C4H2450.1°60.0°
N1C5H15H25119.3°120.0°
C7C6O1N1177.2°179.7°
C6C7C12C8159.2°180.0°
C6C7C8N29.0°0.0°
C6C7C8O2177.1°179.4°
C7C6N1C115.0°0.0°
C6C7C12N4162.2°173.8°
C6C7C12N53.6°5.8°
O1C6C7C1214.5°0.0°
O1C6C7C8174.7°180.0°
O1C6N1C11177.6°179.7°
C12C7C6N1168.1°179.7°
C12C7C8N2169.1°180.0°
C12C7C8O217.0°0.6°
C7C12N4N5157.8°179.7°
C7C12N4S1177.2°179.5°
C7C12N5C14168.9°159.8°
C7C12N5H2211.1°20.1°
N1C6C7C87.9°0.2°
C6N1C11N3177.9°179.5°
C6N1C11N22.1°0.5°
C6N1C5H15173.4°30.0°
C6N1C5H2552.7°150.0°
N2C8O2C7174.2°179.4°
C8N2C11N3177.4°180.0°
C8N2C9C11176.3°179.9°
C8N2C9C10177.6°180.0°
C8N2C11N12.6°0.8°
N2C8O2H1219.6°0.0°
C8N2C9H92.4°0.0°
O2C8N2C93.7°0.0°
O2C8N2C11179.8°179.9°
C7C8N2C9177.8°179.4°
C7C8N2C116.1°0.5°
C8C7C12N43.0°6.2°
C8C7C12N5155.6°174.1°
C7C8O2H12154.6°179.4°
N3C11N2C90.5°0.1°
C11N3C10C91.2°0.1°
N3C11N2N1180.0°179.2°
C11N3C10H10178.8°180.0°
N2C9C10N31.5°0.1°
N2C9C10H9180.0°180.0°
C9N2C11N1179.5°179.1°
N2C9C10H10178.5°179.9°
N3C10C9H10180.0°180.0°
C10N3C11N20.5°0.0°
C10N3C11N1179.5°179.1°
N3C10C9H9178.4°179.9°
C10C9N2C111.2°0.1°
C11N2C9H9178.7°179.9°
C11N1C5H155.9°150.0°
C11N1C5H25126.6°30.0°
C12N4S1O3144.1°127.9°
C12N4S1O4100.0°98.6°
C12N4S1C1319.6°14.6°
N4C12N5C1410.5°19.8°
N4C12N5H22169.5°160.2°
C12N5C14C15178.5°161.1°
C12N5C14C133.2°19.1°
N5C12N4S119.4°0.1°
C12N5C14H22180.0°180.0°
C19C13C14C151.1°0.2°
C19C13C14S1175.5°179.7°
C13C19C17N6179.4°179.9°
C13C19C17H19180.0°180.0°
C19C13S1O350.5°52.3°
C19C13S1O475.1°81.1°
C19C13S1N4173.0°165.7°
C13C19C17C161.4°0.0°
C19C13C14N5179.3°179.6°
C15C14C13N5178.2°179.8°
C14C15C16H15A180.0°180.0°
C15C14C13S1176.6°179.5°
C14C15C16C170.1°0.1°
C14C15C16H16179.9°180.0°
C15C14N5H221.5°18.9°
C13C14C15C161.1°0.1°
C14C13C19C170.1°0.1°
C14C13S1O3134.5°127.4°
C14C13S1O499.9°99.3°
C14C13S1N412.0°14.0°
C13C14C15H15A178.9°179.9°
C14C13C19H19179.8°179.8°
C13C14N5H22176.9°160.9°
C15C16C17N6179.5°179.9°
C15C16C17C191.4°0.0°
C15C16C17H16180.0°179.9°
C16C15C14N5179.4°179.7°
C18S2O6O5119.1°131.6°
C18S2O6N6116.8°111.7°
C18S2O5N6120.2°111.7°
C18S2N6C1789.4°65.2°
S2C18H118H218120.0°120.0°
S2C18H118H318120.0°120.0°
S2C18H218H318120.0°120.0°
C18S2N6HN6150.6°114.8°
O6S2O5N6121.8°116.7°
O6S2N6C17155.3°178.7°
O6S2C18H118160.1°56.7°
O6S2C18H21840.1°176.8°
O6S2C18H31879.9°63.3°
O6S2N6HN635.3°1.3°
O5S2N6C1730.5°50.9°
O5S2C18H11877.8°166.5°
O5S2C18H218162.2°46.5°
O5S2C18H31842.1°73.5°
O5S2N6HN689.5°129.1°
S2N6C17HN6120.0°180.0°
S2N6C17C1922.9°133.4°
S2N6C17C16159.0°46.8°
N6S2C18H11844.1°54.9°
N6S2C18H21875.9°65.1°
N6S2C18H318164.0°174.9°
N6C17C19C16178.0°179.9°
N6C17C19H190.6°0.0°
N6C17C16H160.5°0.2°
C17C19C13S1174.9°179.5°
C19C17N6HN6142.9°46.7°
C19C17C16H16178.6°180.0°
O3S1O4C13127.5°123.5°
O3S1O4N4116.2°123.7°
O3S1C13N4122.5°113.4°
O4S1C13N4112.0°113.3°
S1C13C14N55.2°0.7°
S1C13C19H195.1°0.5°
C17C16C15H15A179.9°180.0°
C16C17N6HN639.0°133.2°
C16C17C19H19178.6°179.9°
N5C14C15H15A0.6°0.3°
H11C1H21H31120.0°119.9°
H11C1C2H2139.5°60.0°
H21C1C2H219.6°180.0°
H31C1C2H2100.5°59.9°
H2C2C3H1371.7°180.0°
H2C2C3H23168.3°60.0°
H2C2C3H3348.2°60.0°
H2C2C4H14179.6°65.0°
H2C2C4H2459.4°175.0°
H13C3H23H33120.0°120.1°
H14C4C5H1569.7°180.0°
H14C4C5H2551.0°59.9°
H24C4C5H15170.1°59.9°
H24C4C5H2569.2°180.0°
H9C9C10H101.6°0.0°
H15AC15C16H160.1°0.0°
H118C18H218H318120.0°120.0°

222624

PDB entries from 2024-07-17

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