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SummaryGeometryRelated PDB entries

FD3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C65C66doub1.38Å1.40ÅAromatic
C65C64sing1.38Å1.41ÅAromatic
C65C34sing1.51Å1.54Å
C66C61sing1.39Å1.40ÅAromatic
C66H661sing1.08Å1.10Å
C64C63doub1.38Å1.40ÅAromatic
C64H641sing1.08Å1.10Å
C63C62sing1.38Å1.41ÅAromatic
C63H631sing1.08Å1.10Å
C62C61doub1.39Å1.41ÅAromatic
C62H621sing1.08Å1.10Å
C61C25sing1.48Å1.50Å
C25N43sing1.38Å1.31Å
C25N54doub1.30Å1.31Å
N43H431sing0.97Å1.02Å
N43H432sing0.97Å1.02Å
N54H541sing0.97Å1.02Å
C34C31sing1.53Å1.54Å
C34H341sing1.09Å1.11Å
C34H342sing1.09Å1.12Å
C31C35sing1.51Å1.52Å
C31N29sing1.46Å1.47Å
C31H311sing1.09Å1.11Å
C35O36doub1.21Å1.23Å
C35N81sing1.35Å1.37Å
N81C71sing1.47Å1.48Å
N81C75sing1.47Å1.47Å
C71C72sing1.53Å1.55Å
C71H711sing1.09Å1.12Å
C71H712sing1.09Å1.11Å
C72N40sing1.47Å1.45Å
C72H721sing1.09Å1.12Å
C72H722sing1.09Å1.11Å
C74C75sing1.53Å1.55Å
C74N40sing1.47Å1.49Å
C74H741sing1.09Å1.11Å
C74H742sing1.09Å1.11Å
C75H751sing1.09Å1.12Å
C75H752sing1.09Å1.12Å
N40H401sing1.01Å1.02Å
N29S12sing1.66Å1.72Å
N29H291sing0.97Å1.02Å
S12O32doub1.42Å1.44Å
S12O33doub1.42Å1.42Å
S12C2sing1.76Å1.72Å
C2C3doub1.39Å1.40ÅAromatic
C2C1sing1.36Å1.39ÅAromatic
C3C4sing1.36Å1.42ÅAromatic
C3H31sing1.08Å1.10Å
C4C10doub1.40Å1.43ÅAromatic
C4H41sing1.08Å1.10Å
C9C10sing1.42Å1.43ÅAromatic
C9C1doub1.40Å1.42ÅAromatic
C9C8sing1.41Å1.43ÅAromatic
C10C5sing1.40Å1.43ÅAromatic
C1H11sing1.08Å1.10Å
C5C6doub1.36Å1.43ÅAromatic
C5H51sing1.08Å1.10Å
C6C7sing1.39Å1.42ÅAromatic
C6H61sing1.08Å1.10Å
C7C8doub1.36Å1.41ÅAromatic
C7H71sing1.08Å1.10Å
C8H81sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C66C65C64119.0°120.1°
C66C65C34120.3°120.0°
C65C66C61120.9°119.9°
C65C66H661119.5°120.1°
C64C65C34120.7°119.9°
C65C64C63120.7°120.3°
C65C64H641120.1°119.9°
C65C34C31113.6°109.4°
C65C34H341110.7°109.4°
C65C34H342110.7°109.5°
C61C66H661119.6°120.0°
C66C61C62119.6°119.7°
C66C61C25119.5°120.2°
C63C64H641119.2°119.8°
C64C63C62119.8°120.1°
C64C63H631119.9°119.9°
C62C63H631120.3°120.0°
C63C62C61120.0°119.9°
C63C62H621119.9°120.0°
C61C62H621120.1°120.1°
C62C61C25120.9°120.1°
C61C25N43119.4°120.0°
C61C25N54119.1°120.0°
N43C25N54121.4°120.0°
C25N43H431108.6°120.0°
C25N43H432119.4°120.1°
C25N54H541113.5°120.0°
H431N43H432108.7°119.9°
C31C34H341110.7°109.5°
C31C34H342110.7°109.5°
C34C31C35114.5°109.4°
C34C31N29111.4°109.5°
C34C31H311104.7°109.5°
H341C34H34299.6°109.5°
C35C31N29110.1°109.5°
C35C31H311106.2°109.5°
C31C35O36114.2°120.0°
C31C35N81123.0°120.0°
N29C31H311109.6°109.5°
C31N29S12119.7°120.0°
C31N29H291108.5°120.0°
O36C35N81122.8°120.0°
C35N81C71120.7°121.1°
C35N81C75119.0°121.1°
C71N81C75116.9°117.8°
N81C71C72105.7°108.4°
N81C71H711113.6°109.6°
N81C71H712113.6°109.6°
N81C75C74104.4°108.6°
N81C75H751114.1°109.8°
N81C75H752114.1°109.4°
C72C71H711113.6°109.7°
C72C71H712113.7°109.8°
C71C72N40113.0°109.6°
C71C72H721110.9°109.5°
C71C72H722110.9°109.4°
H711C71H71296.8°109.7°
N40C72H721110.9°109.5°
N40C72H722110.9°109.4°
C72N40C74123.0°107.4°
C72N40H401107.4°106.7°
H721C72H72299.4°109.4°
C75C74N40113.6°109.7°
C75C74H741110.7°109.5°
C75C74H742110.7°109.3°
C74C75H751114.1°109.7°
C74C75H752114.1°109.7°
N40C74H741110.7°109.5°
N40C74H742110.7°109.5°
C74N40H401107.4°106.7°
H741C74H74299.6°109.4°
H751C75H75296.4°109.6°
S12N29H291108.6°120.0°
N29S12O32108.8°105.7°
N29S12O33110.0°105.8°
N29S12C297.7°107.4°
O32S12O33121.6°125.3°
O32S12C2108.2°105.8°
O33S12C2107.8°105.8°
S12C2C3117.9°119.5°
S12C2C1120.9°119.5°
C3C2C1121.2°121.0°
C2C3C4120.4°120.9°
C2C3H31119.3°119.6°
C2C1C9119.8°119.7°
C2C1H11119.1°120.1°
C4C3H31120.2°119.5°
C3C4C10119.1°119.7°
C3C4H41120.1°120.1°
C10C4H41120.8°120.2°
C4C10C9119.7°119.3°
C4C10C5121.8°121.3°
C10C9C1119.7°119.4°
C10C9C8120.3°119.4°
C9C10C5118.6°119.3°
C1C9C8120.0°121.3°
C9C1H11121.0°120.2°
C9C8C7120.3°119.7°
C9C8H81120.6°120.2°
C10C5C6120.7°119.7°
C10C5H51119.5°120.1°
C6C5H51119.8°120.1°
C5C6C7119.8°121.0°
C5C6H61120.7°119.5°
C7C6H61119.5°119.5°
C6C7C8120.3°121.0°
C6C7H71120.0°119.5°
C8C7H71119.6°119.5°
C7C8H81119.1°120.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C66C65C64C34179.1°179.7°
C65C66C61H661180.0°179.3°
C66C65C64C631.2°0.4°
C66C65C64H641178.8°179.7°
C65C66C61C620.0°0.7°
C65C66C61C25179.8°179.7°
C66C65C34C3189.1°89.6°
C66C65C34H341145.6°30.3°
C66C65C34H34236.2°150.3°
C64C65C66C610.7°0.7°
C64C65C66H661179.3°180.0°
C65C64C63H641180.0°180.0°
C65C64C63C620.9°0.0°
C65C64C63H631179.1°180.0°
C64C65C34C3191.9°90.1°
C64C65C34H34133.4°150.0°
C64C65C34H342142.9°30.0°
C34C65C66C61179.8°179.6°
C34C65C66H6610.2°0.3°
C34C65C64C63179.8°179.9°
C34C65C64H6410.2°0.0°
C65C34C31H341125.3°119.9°
C65C34C31H342125.3°120.0°
C65C34H341H342116.6°120.0°
C65C34C31C3533.5°180.0°
C65C34C31N2992.3°60.1°
C65C34C31H311149.4°60.0°
C66C61C62C630.3°0.4°
C66C61C62C25179.8°179.6°
C66C61C62H621179.6°179.6°
C66C61C25N43178.6°179.7°
C66C61C25N540.6°0.4°
H661C66C61C62180.0°180.0°
H661C66C61C250.2°0.4°
C64C63C62H631180.0°179.9°
C64C63C62C610.1°0.0°
C64C63C62H621179.9°180.0°
H641C64C63C62179.1°180.0°
H641C64C63H6310.9°0.1°
C63C62C61H621180.0°180.0°
C63C62C61C25179.9°180.0°
H631C63C62C61179.8°180.0°
H631C63C62H6210.1°0.0°
C62C61C25N431.2°0.1°
C62C61C25N54179.7°180.0°
H621C62C61C250.1°0.1°
C61C25N43N54179.2°179.9°
C61C25N43H43154.7°180.0°
C61C25N43H432180.0°0.4°
C61C25N54H541168.8°0.0°
C25N43H431H432131.4°179.6°
N43C25N54H54112.0°179.9°
N54C25N43H431126.1°0.1°
N54C25N43H4320.8°179.7°
C31C34H341H342116.5°120.1°
C34C31C35N29126.4°119.9°
C34C31C35H311115.0°120.0°
C34C31N29H311115.4°120.1°
C34C31C35O3697.0°91.9°
C34C31C35N8181.3°88.1°
C34C31N29S12138.0°126.3°
C34C31N29H29112.7°53.8°
H341C34C31C3591.8°60.0°
H341C34C31N29142.5°180.0°
H341C34C31H31124.1°59.9°
H342C34C31C35158.8°60.1°
H342C34C31N2933.0°59.9°
H342C34C31H31185.4°180.0°
C35C31N29H311116.4°120.0°
C31C35O36N81178.3°180.0°
C31C35N81C7115.3°5.2°
C31C35N81C75173.8°175.2°
C35C31N29S1293.8°113.8°
C35C31N29H291140.9°66.1°
N29C31C35O3629.4°28.1°
N29C31C35N81152.3°151.9°
C31N29S12H291125.3°180.0°
C31N29S12O32177.8°172.6°
C31N29S12O3342.3°52.6°
C31N29S12C269.9°60.0°
H311C31C35O36147.9°148.1°
H311C31C35N8133.7°31.9°
H311C31N29S1222.6°6.2°
H311C31N29H291102.7°173.9°
O36C35N81C71162.9°174.8°
O36C35N81C754.4°4.8°
C35N81C71C75159.0°179.7°
C35N81C71C72134.3°131.0°
C35N81C71H711100.5°109.3°
C35N81C71H7129.0°11.2°
C35N81C75C74134.3°131.0°
C35N81C75H7519.1°11.1°
C35N81C75H752100.4°109.2°
N81C71C72H711125.3°119.7°
N81C71C72H712125.3°119.7°
N81C71H711H712119.6°120.4°
N81C71C72N4043.7°55.9°
N81C71C72H721169.0°176.0°
N81C71C72H72281.6°64.1°
C71N81C75C7466.3°48.6°
C71N81C75H751168.4°168.6°
C71N81C75H75258.9°71.1°
C75N81C71C7266.8°48.7°
C75N81C71H71158.5°71.0°
C75N81C71H712168.0°168.5°
N81C75C74H751125.2°120.0°
N81C75C74H752125.3°119.5°
N81C75C74N4043.7°55.7°
N81C75C74H74181.5°175.9°
N81C75C74H742169.0°64.3°
N81C75H751H752120.0°120.2°
C72C71H711H712119.6°120.6°
C71C72N40H721125.2°120.1°
C71C72N40H722125.3°120.0°
C71C72H721H722116.8°119.9°
C71C72N40C7432.7°66.8°
C71C72N40H40192.5°179.0°
H711C71C72N4081.5°63.7°
H711C71C72H72143.7°56.4°
H711C71C72H722153.2°176.3°
H712C71C72N40169.0°175.7°
H712C71C72H72165.8°64.2°
H712C71C72H72243.7°55.7°
N40C72H721H722116.8°119.9°
C72N40C74C7533.1°66.7°
C72N40C74H401125.3°114.1°
C72N40C74H74192.1°173.1°
C72N40C74H742158.4°53.2°
H721C72N40C74158.0°173.1°
H721C72N40H40132.7°58.9°
H722C72N40C7492.5°53.1°
H722C72N40H401142.2°61.0°
C75C74N40H741125.3°120.1°
C75C74N40H742125.3°119.9°
C75C74H741H742116.6°119.7°
C74C75H751H752120.0°120.5°
C75C74N40H40192.1°179.2°
N40C74H741H742116.6°120.0°
N40C74C75H751169.0°175.7°
N40C74C75H75281.5°63.8°
H741C74C75H75143.7°64.1°
H741C74C75H752153.2°56.3°
H741C74N40H401142.6°59.0°
H742C74C75H75165.8°55.7°
H742C74C75H75243.7°176.2°
H742C74N40H40133.1°61.0°
N29S12O32O33129.4°123.1°
N29S12O32C2105.1°113.8°
N29S12O33C2105.5°113.8°
N29S12C2C374.9°90.0°
N29S12C2C1105.2°90.3°
H291N29S12O3252.6°7.3°
H291N29S12O3383.0°127.4°
H291N29S12C2164.9°120.0°
O32S12O33C2125.7°123.2°
O32S12C2C337.9°22.6°
O32S12C2C1142.0°157.1°
O33S12C2C3171.1°157.4°
O33S12C2C18.8°22.3°
S12C2C3C1179.9°179.7°
S12C2C3C4179.7°180.0°
S12C2C3H310.3°0.0°
S12C2C1C9179.8°179.7°
S12C2C1H110.2°0.0°
C2C3C4H31180.0°180.0°
C2C3C4C100.4°0.0°
C2C3C4H41179.6°180.0°
C3C2C1C90.3°0.6°
C3C2C1H11179.7°179.7°
C1C2C3C40.4°0.3°
C1C2C3H31179.6°179.7°
C2C1C9C100.2°0.5°
C2C1C9H11180.0°179.7°
C2C1C9C8179.8°179.7°
C3C4C10H41180.0°179.9°
C3C4C10C90.3°0.0°
C3C4C10C5179.6°180.0°
H31C3C4C10179.6°179.9°
H31C3C4H410.4°0.0°
C4C10C9C5179.9°180.0°
C4C10C9C10.2°0.2°
C4C10C9C8179.9°180.0°
C4C10C5C6179.9°179.9°
C4C10C5H510.1°0.0°
H41C4C10C9179.7°180.0°
H41C4C10C50.4°0.1°
C10C9C1C8179.9°179.7°
C10C9C1H11179.8°179.7°
C9C10C5C60.2°0.0°
C9C10C5H51179.8°180.0°
C10C9C8C70.2°0.0°
C10C9C8H81179.8°180.0°
C1C9C10C5179.7°179.7°
C1C9C8C7179.7°179.7°
C1C9C8H810.3°0.3°
C8C9C10C50.2°0.0°
C8C9C1H110.2°0.0°
C9C8C7C60.2°0.0°
C9C8C7H81180.0°180.0°
C9C8C7H71179.8°180.0°
C10C5C6H51180.0°179.9°
C10C5C6C70.2°0.1°
C10C5C6H61179.8°180.0°
C5C6C7H61180.0°179.9°
C5C6C7C80.2°0.1°
C5C6C7H71179.9°180.0°
H51C5C6C7179.8°180.0°
H51C5C6H610.2°0.1°
C6C7C8H71180.0°180.0°
C6C7C8H81179.8°180.0°
H61C6C7C8179.9°180.0°
H61C6C7H710.1°0.0°
H71C7C8H810.2°0.0°

222415

PDB entries from 2024-07-10

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