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PRD_001008

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C1doub1.38Å1.41ÅAromatic
C1C2sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C2C3doub1.38Å1.40ÅAromatic
C2H2sing1.08Å1.08Å
C4C3sing1.38Å1.39ÅAromatic
C3H3sing1.08Å1.08Å
C5C4doub1.38Å1.40ÅAromatic
C4C7sing1.51Å1.54Å
C6C5sing1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7S8sing1.81Å1.84Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
O10S8doub1.42Å1.50Å
S8N11sing1.66Å1.62Å
S8O9doub1.42Å1.48Å
C12N11sing1.47Å1.47Å
N11HN11sing0.97Å1.00Å
C13C12sing1.51Å1.55Å
C12C30sing1.53Å1.54Å
C12H12sing1.09Å1.10Å
N15C13sing1.35Å1.33Å
C13O14doub1.21Å1.24Å
C16N15sing1.47Å1.48Å
N15HN15sing0.97Å1.00Å
C17C16sing1.51Å1.54Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
N19C17sing1.35Å1.33Å
C17O18doub1.21Å1.24Å
C20N19sing1.46Å1.51Å
N19HN19sing0.97Å1.00Å
C20C21sing1.51Å1.53Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C22C21doub1.38Å1.39ÅAromatic
C21C26sing1.38Å1.40ÅAromatic
C22C23sing1.38Å1.40ÅAromatic
C22H22sing1.08Å1.08Å
C23C24doub1.39Å1.40ÅAromatic
C23H23sing1.08Å1.08Å
C24C25sing1.39Å1.41ÅAromatic
C24C27sing1.48Å1.41Å
C26C25doub1.38Å1.40ÅAromatic
C25H25sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
N28C27doub1.30Å1.33Å
C27N29sing1.38Å1.32Å
N28HN28sing0.97Å1.00Å
N29HN29sing0.97Å1.00Å
N29HN2Asing0.97Å1.00Å
C31C30sing1.53Å1.53Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C31C32sing1.53Å1.54Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C32N33sing1.47Å1.48Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
N33C34sing1.37Å1.33Å
N33HN33sing0.97Å1.00Å
C34N37doub1.30Å1.34Å
C34N35sing1.38Å1.36Å
N35HN35sing0.97Å1.00Å
N35HN3Asing0.97Å1.00Å
N37HN37sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1C2119.8°120.0°
C6C1H1120.1°120.0°
C1C6C5120.0°120.0°
C1C6H6120.0°119.9°
C2C1H1120.1°120.0°
C1C2C3119.7°120.0°
C1C2H2120.2°120.0°
C3C2H2120.2°120.0°
C2C3C4120.6°120.0°
C2C3H3119.7°120.0°
C4C3H3119.7°120.0°
C3C4C5120.0°120.0°
C3C4C7120.0°120.0°
C5C4C7120.0°120.0°
C4C5C6119.9°120.0°
C4C5H5120.0°120.0°
C4C7S8110.8°109.4°
C4C7H7109.0°109.5°
C4C7H7A109.0°109.5°
C6C5H5120.1°120.0°
C5C6H6120.0°120.0°
S8C7H7109.0°109.4°
S8C7H7A109.0°109.5°
C7S8O10107.4°110.5°
C7S8N11112.9°104.4°
C7S8O9109.8°110.5°
H7C7H7A109.9°109.5°
O10S8N11111.2°104.3°
O10S8O9113.1°121.0°
N11S8O9102.4°104.3°
S8N11C12117.4°120.0°
S8N11HN11106.9°120.0°
C12N11HN11106.9°120.0°
N11C12C13111.0°109.4°
N11C12C30103.6°109.5°
N11C12H12113.1°109.4°
C13C12C30111.8°109.5°
C13C12H12105.2°109.5°
C12C13N15113.8°120.0°
C12C13O14121.5°120.0°
C30C12H12112.3°109.5°
C12C30C31111.5°109.5°
C12C30H30108.8°109.5°
C12C30H30A108.8°109.5°
N15C13O14124.6°120.0°
C13N15C16127.0°120.0°
C13N15HN15116.5°120.0°
C16N15HN15116.5°120.0°
N15C16C17108.1°109.5°
N15C16H16109.9°109.5°
N15C16H16A109.9°109.4°
C17C16H16110.0°109.4°
C17C16H16A110.0°109.5°
C16C17N19116.5°119.9°
C16C17O18119.8°120.0°
H16C16H16A108.9°109.5°
N19C17O18123.6°120.0°
C17N19C20119.9°119.9°
C17N19HN19120.0°120.0°
C20N19HN19120.0°120.1°
N19C20C21111.1°109.4°
N19C20H20108.9°109.5°
N19C20H20A108.9°109.5°
C21C20H20108.9°109.5°
C21C20H20A108.9°109.4°
C20C21C22119.6°119.9°
C20C21C26121.2°119.8°
H20C20H20A110.1°109.5°
C22C21C26119.2°120.3°
C21C22C23119.9°120.2°
C21C22H22120.0°119.9°
C21C26C25121.3°120.1°
C21C26H26119.3°119.9°
C23C22H22120.1°119.9°
C22C23C24121.2°119.8°
C22C23H23119.4°120.1°
C24C23H23119.4°120.1°
C23C24C25119.3°119.8°
C23C24C27119.2°120.1°
C25C24C27121.4°120.1°
C24C25C26119.0°119.9°
C24C25H25120.5°120.1°
C24C27N28120.8°120.0°
C24C27N29121.6°120.0°
C26C25H25120.5°120.1°
C25C26H26119.3°120.0°
N28C27N29117.4°120.0°
C27N28HN28112.0°120.0°
C27N29HN29120.0°120.0°
C27N29HN2A120.0°120.0°
HN29N29HN2A120.0°120.0°
C31C30H30108.8°109.4°
C31C30H30A108.8°109.5°
C30C31C32111.2°109.5°
C30C31H31108.9°109.5°
C30C31H31A108.9°109.5°
H30C30H30A110.2°109.5°
C32C31H31108.9°109.5°
C32C31H31A108.9°109.4°
C31C32N33105.5°109.5°
C31C32H32110.8°109.5°
C31C32H32A110.8°109.5°
H31C31H31A110.1°109.4°
N33C32H32110.8°109.5°
N33C32H32A110.8°109.4°
C32N33C34126.6°120.0°
C32N33HN33116.7°119.9°
H32C32H32A108.1°109.5°
C34N33HN33116.7°120.0°
N33C34N37119.9°120.0°
N33C34N35118.6°120.0°
N37C34N35121.4°120.0°
C34N37HN37112.0°120.0°
C34N35HN35120.0°120.0°
C34N35HN3A120.0°120.0°
HN35N35HN3A120.0°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1C2H1180.0°179.7°
C6C1C2C30.2°0.3°
C6C1C2H2179.8°179.7°
C1C6C5C40.7°0.6°
C1C6C5H6180.0°179.4°
C1C6C5H5179.3°179.7°
C1C2C3H2180.0°179.9°
C1C2C3C40.2°0.0°
C1C2C3H3179.8°179.9°
C2C1C6C50.2°0.6°
C2C1C6H6179.8°180.0°
H1C1C2C3179.8°180.0°
H1C1C2H20.2°0.0°
H1C1C6C5179.8°179.7°
H1C1C6H60.2°0.3°
C2C3C4H3180.0°179.9°
C2C3C4C50.2°0.0°
C2C3C4C7178.5°179.9°
H2C2C3C4179.8°180.0°
H2C2C3H30.2°0.0°
C3C4C5C7178.3°180.0°
C3C4C5C60.6°0.3°
C3C4C5H5179.3°180.0°
C3C4C7S8101.2°90.0°
C3C4C7H7138.8°150.1°
C3C4C7H7A18.8°30.0°
H3C3C4C5179.8°180.0°
H3C3C4C71.5°0.0°
C4C5C6H5180.0°179.8°
C4C5C6H6179.4°180.0°
C5C4C7S877.0°90.0°
C5C4C7H743.0°29.9°
C5C4C7H7A163.0°150.0°
C7C4C5C6178.9°179.8°
C7C4C5H51.1°0.0°
C4C7S8H7120.0°119.9°
C4C7S8H7A120.0°120.0°
C4C7H7H7A119.4°120.1°
C4C7S8O1069.4°63.3°
C4C7S8N11167.6°175.0°
C4C7S8O954.0°73.4°
H5C5C6H60.7°0.3°
S8C7H7H7A119.5°120.0°
C7S8O10N11124.1°111.7°
C7S8O10O9121.3°131.4°
C7S8N11O9118.0°116.0°
C7S8N11C1269.9°63.4°
C7S8N11HN1150.1°116.6°
H7C7S8O1050.6°56.6°
H7C7S8N1172.4°55.1°
H7C7S8O9174.0°166.7°
H7AC7S8O10170.6°176.6°
H7AC7S8N1147.7°65.0°
H7AC7S8O966.0°46.6°
O10S8N11O9121.1°127.9°
O10S8N11C1251.0°179.5°
O10S8N11HN11171.0°0.6°
S8N11C12HN11120.0°180.0°
S8N11C12C1373.8°96.0°
S8N11C12C30166.0°144.1°
S8N11C12H1244.1°24.1°
O9S8N11C12172.1°52.6°
O9S8N11HN1168.0°127.3°
N11C12C13C30115.2°120.0°
N11C12C13H12122.7°120.0°
N11C12C30H12122.4°120.0°
N11C12C13N15140.9°180.0°
N11C12C13O1435.8°0.0°
N11C12C30C31175.6°65.4°
N11C12C30H3055.6°174.6°
N11C12C30H30A64.4°54.6°
HN11N11C12C1346.2°84.0°
HN11N11C12C3074.0°36.0°
HN11N11C12H12164.1°156.0°
C13C12C30H12118.0°120.1°
C12C13N15O14176.7°180.0°
C12C13N15C16178.8°180.0°
C12C13N15HN151.2°0.0°
C13C12C30C3156.0°174.6°
C13C12C30H3064.0°54.7°
C13C12C30H30A176.0°65.4°
C30C12C13N15103.9°60.0°
C30C12C13O1479.3°120.0°
C12C30C31H30120.0°120.0°
C12C30C31H30A120.0°120.0°
C12C30H30H30A119.2°120.0°
C12C30C31C32178.7°175.6°
C12C30C31H3161.3°55.5°
C12C30C31H31A58.7°64.5°
H12C12C13N1518.3°60.0°
H12C12C13O14158.5°120.0°
H12C12C30C3162.0°54.5°
H12C12C30H30178.0°65.4°
H12C12C30H30A58.0°174.6°
C13N15C16HN15180.0°180.0°
C13N15C16C1761.0°180.0°
C13N15C16H1659.0°60.0°
C13N15C16H16A178.9°60.0°
O14C13N15C164.5°0.0°
O14C13N15HN15175.5°180.0°
N15C16C17H16120.0°120.0°
N15C16C17H16A120.0°120.0°
N15C16H16H16A120.6°120.0°
N15C16C17N19131.5°180.0°
N15C16C17O1845.6°0.1°
HN15N15C16C17119.0°0.0°
HN15N15C16H16121.0°119.9°
HN15N15C16H16A1.1°120.0°
C17C16H16H16A120.6°120.1°
C16C17N19O18177.0°179.9°
C16C17N19C20180.0°180.0°
C16C17N19HN190.0°0.0°
H16C16C17N1911.5°60.1°
H16C16C17O18165.6°120.0°
H16AC16C17N19108.4°60.0°
H16AC16C17O1874.5°119.9°
C17N19C20HN19180.0°180.0°
C17N19C20C21104.3°180.0°
C17N19C20H20135.8°60.0°
C17N19C20H20A15.7°60.0°
O18C17N19C203.0°0.0°
O18C17N19HN19177.0°179.9°
N19C20C21H20120.0°120.0°
N19C20C21H20A120.0°120.0°
N19C20H20H20A119.3°120.1°
N19C20C21C22123.7°89.7°
N19C20C21C2657.4°90.0°
HN19N19C20C2175.7°0.1°
HN19N19C20H2044.2°119.9°
HN19N19C20H20A164.2°120.0°
C21C20H20H20A119.3°119.9°
C20C21C22C26179.0°179.7°
C20C21C22C23179.9°180.0°
C20C21C22H220.1°0.0°
C20C21C26C25179.5°179.7°
C20C21C26H260.5°0.0°
H20C20C21C223.7°150.3°
H20C20C21C26177.4°30.0°
H20AC20C21C22116.3°30.3°
H20AC20C21C2662.6°150.0°
C21C22C23H22180.0°179.9°
C21C22C23C240.5°0.0°
C21C22C23H23179.4°180.0°
C22C21C26C251.6°0.5°
C22C21C26H26178.4°179.7°
C26C21C22C231.1°0.3°
C26C21C22H22178.9°179.8°
C21C26C25C241.4°0.5°
C21C26C25H26180.0°179.7°
C21C26C25H25178.7°179.7°
C22C23C24H23180.0°179.9°
C22C23C24C250.3°0.0°
C22C23C24C27179.3°180.0°
H22C22C23C24179.5°180.0°
H22C22C23H230.6°0.1°
C23C24C25C27178.9°180.0°
C23C24C25C260.7°0.3°
C23C24C25H25179.3°180.0°
C23C24C27N2833.2°0.0°
C23C24C27N29152.0°180.0°
H23C23C24C25179.6°180.0°
H23C23C24C270.7°0.1°
C24C25C26H25180.0°179.7°
C24C25C26H26178.6°179.7°
C25C24C27N28145.7°180.0°
C25C24C27N2929.1°0.0°
C27C24C25C26179.7°179.7°
C27C24C25H250.3°0.0°
C24C27N28N29175.0°180.0°
C24C27N28HN28175.0°180.0°
C24C27N29HN29175.0°0.0°
C24C27N29HN2A5.0°180.0°
H25C25C26H261.3°0.0°
N28C27N29HN290.0°180.0°
N28C27N29HN2A180.0°0.0°
N29C27N28HN280.0°0.0°
C27N29HN29HN2A180.0°180.0°
C31C30H30H30A119.2°120.0°
C30C31C32H31120.0°120.0°
C30C31C32H31A120.0°120.0°
C30C31H31H31A119.3°120.1°
C30C31C32N3363.5°180.0°
C30C31C32H32176.6°60.0°
C30C31C32H32A56.5°60.0°
H30C30C31C3258.7°64.5°
H30C30C31H31178.6°175.5°
H30C30C31H31A61.3°55.5°
H30AC30C31C3261.4°55.5°
H30AC30C31H3158.6°64.5°
H30AC30C31H31A178.7°175.5°
C32C31H31H31A119.2°119.9°
C31C32N33H32120.0°120.0°
C31C32N33H32A120.0°120.0°
C31C32H32H32A121.6°120.0°
C31C32N33C34179.1°180.0°
C31C32N33HN330.9°0.1°
H31C31C32N3356.5°59.9°
H31C31C32H3263.5°180.0°
H31C31C32H32A176.5°60.0°
H31AC31C32N33176.5°60.0°
H31AC31C32H3256.5°60.1°
H31AC31C32H32A63.5°180.0°
N33C32H32H32A121.6°119.9°
C32N33C34HN33180.0°179.9°
C32N33C34N371.8°180.0°
C32N33C34N35179.9°0.1°
H32C32N33C3460.9°59.9°
H32C32N33HN33119.1°120.0°
H32AC32N33C3459.1°60.0°
H32AC32N33HN33120.9°120.0°
N33C34N37N35178.0°180.0°
N33C34N35HN35178.0°0.1°
N33C34N35HN3A2.0°180.0°
N33C34N37HN37178.0°179.9°
HN33N33C34N37178.1°0.0°
HN33N33C34N350.1°180.0°
N37C34N35HN350.0°180.0°
N37C34N35HN3A180.0°0.0°
C34N35HN35HN3A180.0°180.0°
N35C34N37HN370.0°0.1°

222624

PDB entries from 2024-07-17

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