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A1MDB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O03C02doub1.22Å1.20Å
N01C02sing1.35Å1.41Å
C23S24sing1.76Å1.62ÅAromatic
C23C22doub1.33Å1.42ÅAromatic
C02C04sing1.48Å1.53Å
S24C20sing1.71Å1.66ÅAromatic
C22N21sing1.32Å1.48ÅAromatic
C04C25doub1.40Å1.41ÅAromatic
C04C05sing1.40Å1.41ÅAromatic
O18C17doub1.21Å1.18Å
C20N21doub1.30Å1.37ÅAromatic
C20N19sing1.39Å1.44Å
C25C08sing1.38Å1.38ÅAromatic
C05C06doub1.38Å1.39ÅAromatic
C17N19sing1.35Å1.38Å
C17C15sing1.51Å1.50Å
C08C09sing1.51Å1.52Å
C08C07doub1.38Å1.39ÅAromatic
C16C15sing1.53Å1.55Å
C16C11sing1.53Å1.54Å
C06C07sing1.38Å1.42ÅAromatic
C09N10sing1.47Å1.47Å
C15C14sing1.53Å1.53Å
N10C11sing1.47Å1.47Å
C11C12sing1.53Å1.52Å
C14C13sing1.53Å1.57Å
C12C13sing1.53Å1.55Å
C11H1sing1.09Å1.10Å
C12H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
N01H9sing0.97Å1.00Å
N01H10sing0.97Å1.00Å
C05H11sing1.08Å1.08Å
C06H12sing1.08Å1.08Å
C07H13sing1.08Å1.08Å
C09H14sing1.09Å1.10Å
C09H15sing1.09Å1.10Å
N10H16sing1.01Å1.00Å
C16H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
N19H20sing0.97Å1.00Å
C22H21sing1.08Å1.08Å
C23H22sing1.08Å1.08Å
C25H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O03C02N01117.6°120.0°
O03C02C04123.0°120.0°
N01C02C04119.3°120.0°
C02N01H9120.0°120.0°
C02N01H10120.0°120.0°
S24C23C22111.0°108.0°
C23S24C2096.2°90.4°
S24C23H22124.5°126.0°
C23C22N21110.8°114.6°
C23C22H21124.6°122.7°
C22C23H22124.5°126.0°
C02C04C25120.4°120.1°
C02C04C05118.0°120.2°
S24C20N21112.7°110.1°
S24C20N19126.4°125.0°
C22N21C20109.3°116.9°
N21C22H21124.6°122.8°
C25C04C05121.5°119.7°
C04C25C08118.0°119.8°
C04C25H23121.0°120.1°
C04C05C06119.7°119.8°
C04C05H11120.2°120.0°
O18C17N19122.8°120.0°
O18C17C15120.0°120.0°
N21C20N19120.9°124.9°
C20N19C17119.1°120.0°
C20N19H20120.4°120.0°
C25C08C09119.7°119.9°
C25C08C07121.6°120.2°
C08C25H23121.0°120.1°
C05C06C07118.7°120.2°
C06C05H11120.1°120.1°
C05C06H12120.7°119.9°
N19C17C15117.2°120.0°
C17N19H20120.5°120.1°
C17C15C16112.2°109.5°
C17C15C14109.7°109.5°
C17C15H8106.5°109.5°
C09C08C07118.7°119.9°
C08C09N10111.7°109.5°
C08C09H14108.9°109.5°
C08C09H15108.9°109.5°
C08C07C06120.4°120.3°
C08C07H13119.8°119.9°
C15C16C11106.3°109.5°
C16C15C14115.7°109.4°
C16C15H8106.0°109.5°
C15C16H18110.2°109.5°
C15C16H19110.3°109.5°
C16C11N10114.8°109.5°
C16C11C12112.3°109.4°
C16C11H1104.6°109.5°
C11C16H18110.3°109.4°
C11C16H19110.2°109.4°
C07C06H12120.7°120.0°
C06C07H13119.8°119.8°
C09N10C11117.4°111.0°
N10C09H14108.9°109.4°
N10C09H15108.9°109.5°
C09N10H16107.4°111.0°
C15C14C13106.0°109.5°
C15C14H6110.3°109.5°
C15C14H7110.3°109.4°
C14C15H8106.1°109.5°
N10C11C12113.8°109.5°
N10C11H1105.3°109.5°
C11N10H16107.5°111.0°
C11C12C13116.8°109.5°
C12C11H1104.8°109.5°
C11C12H2107.6°109.5°
C11C12H3107.6°109.5°
C14C13C12107.7°109.5°
C14C13H4109.9°109.5°
C14C13H5109.9°109.5°
C13C14H6110.4°109.5°
C13C14H7110.3°109.5°
C13C12H2107.6°109.4°
C13C12H3107.6°109.5°
C12C13H4109.9°109.5°
C12C13H5109.9°109.4°
H2C12H3109.4°109.4°
H4C13H5109.5°109.5°
H6C14H7109.5°109.5°
H9N01H10120.0°120.0°
H14C09H15109.4°109.5°
H18C16H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O03C02N01C04175.2°180.0°
O03C02C04C25154.1°0.0°
O03C02C04C0527.1°179.7°
O03C02N01H90.0°180.0°
O03C02N01H10180.0°0.1°
N01C02C04C2530.9°179.9°
N01C02C04C05147.9°0.3°
C02N01H9H10179.9°179.9°
S24C23C22H22180.0°179.7°
S24C23C22N210.7°0.3°
C23S24C20N212.3°0.4°
C23S24C20N19179.2°179.9°
S24C23C22H21179.3°179.8°
C22C23S24C201.7°0.3°
C23C22N21H21180.0°179.9°
C23C22N21C200.8°0.0°
C02C04C25C05178.7°179.7°
C02C04C25C08177.8°179.8°
C02C04C05C06179.2°180.0°
C04C02N01H9175.2°0.0°
C04C02N01H104.8°180.0°
C02C04C05H110.8°0.0°
C02C04C25H232.2°0.1°
S24C20N21C222.1°0.3°
S24C20N21N19178.6°179.7°
S24C20N19C171.6°0.3°
S24C20N19H20178.4°179.7°
C20S24C23H22178.3°180.0°
C22N21C20N19179.3°180.0°
N21C22C23H22179.3°180.0°
C04C25C08H23180.0°179.6°
C25C04C05C062.0°0.3°
C04C25C08C09176.9°179.7°
C04C25C08C073.9°0.6°
C25C04C05H11178.0°179.7°
C05C04C25C083.4°0.6°
C04C05C06H11180.0°180.0°
C04C05C06C070.9°0.0°
C04C05C06H12179.1°180.0°
C05C04C25H23176.5°179.8°
O18C17N19C200.9°0.1°
O18C17N19C15178.9°180.0°
O18C17C15C1625.2°0.0°
O18C17C15C14104.9°120.0°
O18C17C15H8140.7°120.0°
O18C17N19H20179.1°180.0°
N21C20N19C17176.8°180.0°
N21C20N19H203.2°0.0°
C20N21C22H21179.1°179.9°
C20N19C17H20180.0°179.9°
C20N19C17C15179.8°180.0°
C25C08C09C07179.2°179.7°
C25C08C07C063.0°0.3°
C25C08C09N1098.3°89.7°
C25C08C07H13177.0°179.8°
C25C08C09H1422.0°30.2°
C25C08C09H15141.3°150.3°
C05C06C07C081.4°0.0°
C05C06C07H12180.0°180.0°
C05C06C07H13178.6°179.9°
N19C17C15C16153.8°180.0°
N19C17C15C1476.2°60.0°
N19C17C15H838.2°60.0°
C17C15C16C14126.9°120.0°
C17C15C16H8115.9°120.0°
C17C15C16C11172.8°180.0°
C17C15C14H8114.7°120.0°
C17C15C14C13167.2°180.0°
C17C15C14H647.7°60.0°
C17C15C14H773.4°60.0°
C17C15C16H1867.7°60.0°
C17C15C16H1953.3°60.0°
C15C17N19H200.2°0.0°
C09C08C07C06177.8°180.0°
C08C09N10H14120.3°120.0°
C08C09N10H15120.4°120.1°
C08C09N10C11161.4°180.0°
C09C08C07H132.2°0.1°
C08C09H14H15119.0°120.1°
C08C09N10H1677.5°56.1°
C09C08C25H233.1°0.1°
C08C07C06H13180.0°179.9°
C07C08C09N1080.9°90.0°
C08C07C06H12178.6°180.0°
C07C08C09H14158.8°150.0°
C07C08C09H1539.4°30.0°
C07C08C25H23176.1°179.8°
C15C16C11H18119.5°120.0°
C15C16C11H19119.5°120.1°
C16C15C14H8117.2°120.0°
C15C16C11N10178.1°180.0°
C15C16C11C1249.9°60.0°
C16C15C14C1364.7°60.0°
C15C16C11H163.2°60.0°
C16C15C14H6175.8°60.0°
C16C15C14H754.7°180.0°
C15C16H18H19121.5°120.1°
C16C11N10C0943.6°155.0°
C11C16C15C1460.3°60.0°
C16C11N10C12131.3°120.0°
C16C11N10H1114.4°120.0°
C16C11C12H1113.0°120.0°
C16C11C12C1352.5°59.9°
C16C11C12H268.6°60.0°
C16C11C12H3173.6°180.0°
C11C16C15H856.9°60.0°
C16C11N10H16164.8°31.1°
C11C16H18H19121.4°119.9°
C07C06C05H11179.1°180.0°
C09N10C11H16121.1°123.9°
C09N10C11C1287.7°85.0°
C09N10C11H1158.1°35.0°
N10C09H14H15119.0°120.0°
C15C14C13H6119.5°120.0°
C15C14C13H7119.4°120.0°
C15C14C13C1256.3°60.0°
C15C14C13H463.4°180.0°
C15C14C13H5176.0°60.0°
C15C14H6H7121.6°119.9°
C14C15C16H1859.2°180.0°
C14C15C16H19179.8°60.0°
N10C11C12H1114.5°120.0°
N10C11C12C13175.0°180.0°
N10C11C12H264.0°60.0°
N10C11C12H353.9°60.0°
C11N10C09H1441.0°60.0°
C11N10C09H1578.3°59.9°
N10C11C16H1862.4°60.0°
N10C11C16H1958.5°59.9°
C11C12C13C1454.8°60.0°
C11C12C13H2121.1°120.0°
C11C12C13H3121.1°120.1°
C11C12H2H3116.7°120.0°
C11C12C13H465.0°180.0°
C11C12C13H5174.5°60.0°
C12C11N10H1633.5°151.1°
C12C11C16H1869.6°180.0°
C12C11C16H19169.4°60.1°
C14C13C12H4119.7°120.0°
C14C13C12H5119.7°120.0°
C14C13C12H266.3°60.0°
C14C13C12H3175.8°179.9°
C14C13H4H5120.9°120.0°
C13C14H6H7121.6°120.1°
C13C14C15H852.5°60.0°
C13C12C11H160.5°60.0°
C13C12H2H3116.7°120.0°
C12C13H4H5120.8°120.0°
C12C13C14H6175.8°60.0°
C12C13C14H763.1°180.0°
H1C11C12H2178.5°180.0°
H1C11C12H360.6°60.0°
H1C11N10H1680.8°88.9°
H1C11C16H18177.3°60.1°
H1C11C16H1956.3°180.0°
H2C12C13H4174.0°60.0°
H2C12C13H553.4°180.0°
H3C12C13H456.1°59.9°
H3C12C13H564.4°60.0°
H4C13C14H656.1°60.0°
H4C13C14H7177.2°60.0°
H5C13C14H664.5°180.0°
H5C13C14H756.6°60.0°
H6C14C15H867.0°180.0°
H7C14C15H8171.9°60.0°
H8C15C16H18176.4°60.0°
H8C15C16H1962.6°180.0°
H11C05C06H120.9°0.0°
H12C06C07H131.4°0.1°
H14C09N10H16162.2°176.0°
H15C09N10H1642.8°64.0°
H21C22C23H220.7°0.1°

250359

PDB entries from 2026-03-11

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