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616

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O5C30doub1.21Å1.21Å
C30C7sing1.51Å1.53Å
C30H30Csing1.08Å1.10Å
C7C27sing1.53Å1.57Å
C7C8sing1.53Å1.55Å
C7HC7sing1.09Å1.11Å
C27C17sing1.53Å1.55Å
C27C1sing1.53Å1.53Å
C27H27Csing1.09Å1.11Å
C17H171sing1.09Å1.11Å
C17H172sing1.09Å1.12Å
C17H173sing1.09Å1.12Å
C1HC11sing1.09Å1.11Å
C1HC12sing1.09Å1.11Å
C1HC13sing1.09Å1.12Å
C8C29sing1.54Å1.53Å
C8N1sing1.47Å1.45Å
C8HC8sing1.09Å1.11Å
C29N2sing1.47Å1.45Å
C29C28sing1.55Å1.54Å
C29H29Csing1.09Å1.11Å
N2S1sing1.65Å1.69Å
N2HN2sing0.97Å1.02Å
S1O2doub1.42Å1.60Å
S1O1doub1.42Å1.50Å
S1C3sing1.81Å1.67Å
C3HC31sing1.09Å1.12Å
C3HC32sing1.09Å1.12Å
C3HC33sing1.09Å1.11Å
C28C26sing1.55Å1.55Å
C28H281sing1.09Å1.12Å
C28H282sing1.09Å1.11Å
C26N1sing1.48Å1.45Å
C26H261sing1.09Å1.12Å
C26H262sing1.09Å1.11Å
N1C2sing1.35Å1.35Å
C2O3doub1.22Å1.22Å
C2C4sing1.47Å1.51Å
C4C5doub1.33Å1.49Å
C4HC4sing1.08Å1.10Å
C5C6sing1.51Å1.53Å
C5HC5sing1.08Å1.10Å
C6N49sing1.47Å1.47Å
C6HC61sing1.09Å1.12Å
C6HC62sing1.09Å1.12Å
N49C50sing1.47Å1.50Å
N49C48sing1.47Å1.49Å
C50C45sing1.53Å1.53Å
C50H501sing1.09Å1.12Å
C50H502sing1.09Å1.12Å
C45C46sing1.53Å1.51Å
C45H451sing1.09Å1.11Å
C45H452sing1.09Å1.12Å
C46C47sing1.53Å1.55Å
C46H461sing1.09Å1.11Å
C46H462sing1.09Å1.12Å
C47C48sing1.53Å1.53Å
C47H471sing1.09Å1.11Å
C47H472sing1.09Å1.11Å
C48H481sing1.09Å1.12Å
C48H482sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O5C30C7126.5°120.1°
O5C30H30C104.0°120.0°
C7C30H30C129.5°119.9°
C30C7C27114.8°109.5°
C30C7C8109.2°109.5°
C30C7HC7108.5°109.4°
C27C7C8116.2°109.5°
C27C7HC7100.2°109.5°
C7C27C17104.4°109.5°
C7C27C1110.9°109.5°
C7C27H27C112.4°109.5°
C8C7HC7106.9°109.5°
C7C8C29116.4°109.9°
C7C8N1113.0°109.8°
C7C8HC899.3°109.9°
C17C27C1111.0°109.5°
C17C27H27C112.3°109.4°
C27C17H171104.4°109.5°
C27C17H172114.1°109.5°
C27C17H173114.1°109.4°
C1C27H27C106.0°109.5°
C27C1HC11110.9°109.5°
C27C1HC12111.7°109.4°
C27C1HC13111.7°109.5°
H171C17H172114.2°109.5°
H171C17H173114.1°109.5°
H172C17H17396.4°109.5°
HC11C1HC12111.7°109.4°
HC11C1HC13111.7°109.5°
HC12C1HC1398.6°109.4°
C29C8N197.9°107.4°
C29C8HC8114.0°109.9°
C8C29N2103.5°110.8°
C8C29C28107.7°102.9°
C8C29H29C113.5°110.8°
N1C8HC8117.4°109.9°
C8N1C26115.8°108.5°
C8N1C2126.7°125.8°
N2C29C28106.5°110.8°
N2C29H29C114.4°110.6°
C29N2S1116.6°120.1°
C29N2HN2109.7°120.0°
C28C29H29C110.7°110.7°
C29C28C26100.2°101.6°
C29C28H281115.8°111.1°
C29C28H282115.8°111.0°
S1N2HN2109.6°120.0°
N2S1O2104.9°102.9°
N2S1O1109.6°102.8°
N2S1C3108.7°103.2°
O2S1O1110.7°122.1°
O2S1C3108.6°111.6°
O1S1C3113.9°111.6°
S1C3HC31108.7°109.5°
S1C3HC32112.5°109.5°
S1C3HC33112.5°109.5°
HC31C3HC32112.4°109.5°
HC31C3HC33112.5°109.5°
HC32C3HC3398.0°109.4°
C26C28H281115.8°111.1°
C26C28H282115.8°111.0°
C28C26N1104.3°104.8°
C28C26H261114.1°110.3°
C28C26H262114.2°110.4°
H281C28H28294.6°110.9°
N1C26H261114.2°110.3°
N1C26H262114.2°110.4°
C26N1C2117.4°125.6°
H261C26H26296.3°110.5°
N1C2O3121.3°120.0°
N1C2C4117.0°120.0°
O3C2C4121.7°120.0°
C2C4C5111.8°120.0°
C2C4HC4124.6°120.0°
C5C4HC4123.6°120.0°
C4C5C6112.4°120.0°
C4C5HC5122.8°120.0°
C6C5HC5124.9°120.0°
C5C6N49111.4°109.5°
C5C6HC61111.5°109.5°
C5C6HC62111.5°109.5°
N49C6HC61111.5°109.4°
N49C6HC62111.5°109.5°
C6N49C50108.3°106.7°
C6N49C48110.6°106.8°
HC61C6HC6298.8°109.4°
C50N49C48109.0°107.3°
N49C50C45107.9°109.8°
N49C50H501112.8°109.5°
N49C50H502112.8°109.4°
N49C48C47112.9°109.8°
N49C48H481110.9°109.4°
N49C48H482110.9°109.4°
C45C50H501112.9°109.4°
C45C50H502112.9°109.4°
C50C45C46109.8°109.2°
C50C45H451112.1°109.5°
C50C45H452112.1°109.5°
H501C50H50297.5°109.3°
C46C45H451112.2°109.4°
C46C45H452112.1°109.6°
C45C46C47111.5°108.9°
C45C46H461111.5°109.6°
C45C46H462111.4°109.6°
H451C45H45298.3°109.6°
C47C46H461111.5°109.6°
C47C46H462111.5°109.5°
C46C47C48107.1°109.2°
C46C47H471113.1°109.5°
C46C47H472113.1°109.6°
H461C46H46298.9°109.7°
C48C47H471113.1°109.5°
C48C47H472113.1°109.5°
C47C48H481111.0°109.5°
C47C48H482111.0°109.4°
H471C47H47297.4°109.5°
H481C48H48299.4°109.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O5C30C7H30C180.0°180.0°
O5C30C7C2762.0°126.7°
O5C30C7C870.6°113.2°
O5C30C7HC7173.2°6.8°
C30C7C27C8129.2°120.0°
C30C7C27HC7116.1°119.9°
C30C7C8HC7117.3°119.9°
C30C7C27C1755.4°174.7°
C30C7C27C164.3°54.7°
C30C7C27H27C177.3°65.4°
C30C7C8C2920.2°65.7°
C30C7C8N1132.3°52.3°
C30C7C8HC8102.6°173.3°
H30CC30C7C27118.1°53.2°
H30CC30C7C8109.4°66.8°
H30CC30C7HC76.9°173.2°
C27C7C8HC7110.9°120.1°
C7C27C17C1119.6°120.0°
C7C27C17H27C122.0°119.9°
C7C27C1H27C122.2°120.0°
C7C27C17H171180.0°174.3°
C7C27C17H17254.7°65.7°
C7C27C17H17354.7°54.3°
C7C27C1HC11180.0°60.0°
C7C27C1HC1254.7°60.0°
C7C27C1HC1354.7°180.0°
C27C7C8C29152.0°54.3°
C27C7C8N195.9°172.3°
C27C7C8HC829.3°66.7°
C8C7C27C17175.4°65.3°
C8C7C27C164.9°174.7°
C8C7C27H27C53.5°54.7°
C7C8C29N1120.6°119.5°
C7C8C29HC8114.7°121.0°
C7C8N1HC8114.6°121.0°
C7C8C29N2163.3°99.8°
C7C8C29C2884.1°141.6°
C7C8C29H29C38.7°23.2°
C7C8N1C2699.2°118.4°
C7C8N1C283.2°61.6°
HC7C7C27C1760.7°54.8°
HC7C7C27C1179.7°65.2°
HC7C7C27H27C61.3°174.7°
HC7C7C8C2997.1°174.4°
HC7C7C8N115.0°67.6°
HC7C7C8HC8140.1°53.4°
C17C27C1H27C122.2°120.0°
C27C17H171H172125.3°120.0°
C27C17H171H173125.2°119.9°
C27C17H172H173120.0°120.0°
C17C27C1HC1164.4°60.0°
C17C27C1HC1260.9°180.0°
C17C27C1HC13170.3°60.0°
C1C27C17H17160.4°54.3°
C1C27C17H172174.3°174.3°
C1C27C17H17364.8°65.7°
C27C1HC11HC12125.3°120.0°
C27C1HC11HC13125.3°120.1°
C27C1HC12HC13117.5°120.0°
H27CC27C17H17158.0°65.8°
H27CC27C17H17267.3°54.3°
H27CC27C17H173176.7°174.3°
H27CC27C1HC1157.8°NaN°
H27CC27C1HC12176.9°60.0°
H27CC27C1HC1367.5°59.9°
H171C17H172H173120.0°120.0°
HC11C1HC12HC13117.6°120.0°
C29C8N1HC8122.3°119.5°
C8C29N2C28113.4°113.6°
C8C29N2H29C124.0°123.2°
C8C29C28H29C124.5°118.4°
C8C29N2S1141.7°142.9°
C8C29N2HN216.4°37.1°
C8C29C28C2636.0°35.5°
C8C29C28H281161.3°82.6°
C8C29C28H28289.3°153.6°
C29C8N1C2623.9°1.1°
C29C8N1C2153.7°179.0°
N1C8C29N276.1°140.7°
N1C8C29C2836.5°22.2°
N1C8C29H29C159.3°96.2°
C8N1C26C282.5°24.2°
C8N1C26C2177.9°179.9°
C8N1C26H261127.7°142.9°
C8N1C26H262122.8°94.6°
C8N1C2O38.5°5.8°
C8N1C2C4169.2°174.2°
HC8C8C29N248.6°21.2°
HC8C8C29C28161.2°97.3°
HC8C8C29H29C76.0°144.3°
HC8C8N1C26146.2°120.6°
HC8C8N1C231.4°59.4°
N2C29C28H29C124.9°123.1°
C29N2S1HN2125.3°179.9°
C29N2S1O283.0°178.1°
C29N2S1O135.9°50.5°
C29N2S1C3161.0°65.7°
N2C29C28C2674.5°154.0°
N2C29C28H28150.8°35.8°
N2C29C28H282160.2°88.0°
C28C29N2S1104.9°103.5°
C28C29N2HN2129.8°76.5°
C29C28C26H281125.3°118.2°
C29C28C26H282125.3°118.0°
C29C28H281H282121.6°123.9°
C29C28C26N120.0°37.1°
C29C28C26H261105.2°155.8°
C29C28C26H262145.3°81.8°
H29CC29N2S117.7°19.7°
H29CC29N2HN2107.6°160.3°
H29CC29C28C26160.6°82.9°
H29CC29C28H28174.2°159.0°
H29CC29C28H28235.2°35.1°
N2S1O2O1118.1°114.3°
N2S1O2C3116.1°110.0°
N2S1O1C3122.1°110.0°
N2S1C3HC31180.0°180.0°
N2S1C3HC3254.8°59.9°
N2S1C3HC3354.8°60.0°
HN2N2S1O2151.7°1.8°
HN2N2S1O189.4°129.5°
HN2N2S1C335.7°114.4°
O2S1O1C3122.7°135.7°
O2S1C3HC3166.4°70.2°
O2S1C3HC3258.8°169.8°
O2S1C3HC33168.4°49.8°
O1S1C3HC3157.5°70.2°
O1S1C3HC32177.3°49.8°
O1S1C3HC3367.8°169.7°
S1C3HC31HC32125.2°120.0°
S1C3HC31HC33125.3°120.0°
S1C3HC32HC33118.4°120.0°
HC31C3HC32HC33118.4°120.0°
C26C28H281H282121.6°123.8°
C28C26N1H261125.2°118.7°
C28C26N1H262125.3°118.8°
C28C26H261H262120.1°122.3°
C28C26N1C2175.4°155.9°
H281C28C26N1145.3°81.1°
H281C28C26H26120.1°37.7°
H281C28C26H26289.4°160.1°
H282C28C26N1105.3°155.1°
H282C28C26H261129.5°86.1°
H282C28C26H26220.0°36.3°
N1C26H261H262120.1°122.4°
C26N1C2O3173.9°174.2°
C26N1C2C48.3°5.8°
H261C26N1C250.1°37.2°
H262C26N1C259.4°85.3°
N1C2O3C4177.7°180.0°
N1C2C4C5176.0°180.0°
N1C2C4HC44.0°0.1°
O3C2C4C51.8°0.0°
O3C2C4HC4178.3°179.9°
C2C4C5HC4180.0°179.9°
C2C4C5C6166.8°180.0°
C2C4C5HC513.1°0.0°
C4C5C6HC5180.0°180.0°
C4C5C6N49150.8°120.0°
C4C5C6HC6183.9°120.1°
C4C5C6HC6225.5°0.1°
HC4C4C5C613.2°0.1°
HC4C4C5HC5166.9°179.9°
C5C6N49HC61125.3°120.0°
C5C6N49HC62125.3°120.1°
C5C6HC61HC62117.4°120.0°
C5C6N49C50176.3°180.0°
C5C6N49C4864.3°65.5°
HC5C5C6N4929.3°60.0°
HC5C5C6HC6196.0°60.0°
HC5C5C6HC62154.5°179.9°
N49C6HC61HC62117.4°120.0°
C6N49C50C48120.3°114.2°
C6N49C50C45177.3°179.8°
C6N49C50H50152.0°59.7°
C6N49C50H50257.4°60.1°
C6N49C48C47178.8°179.7°
C6N49C48H48155.9°60.1°
C6N49C48H48253.5°59.7°
HC61C6N49C5051.0°60.0°
HC61C6N49C48170.4°54.5°
HC62C6N49C5058.4°59.9°
HC62C6N49C4861.0°174.4°
N49C50C45H501125.3°120.2°
N49C50C45H502125.3°120.1°
N49C50H501H502118.7°119.8°
N49C50C45C4661.8°61.5°
N49C50C45H45163.6°178.7°
N49C50C45H452173.0°58.5°
C50N49C48C4762.3°65.6°
C50N49C48H48163.0°174.2°
C50N49C48H482172.4°54.5°
C48N49C50C4562.4°65.6°
C48N49C50H501172.3°54.5°
C48N49C50H50263.0°174.3°
N49C48C47C4656.4°61.4°
N49C48C47H481125.2°120.1°
N49C48C47H482125.3°120.1°
N49C48C47H47168.8°178.7°
N49C48C47H472178.3°58.6°
N49C48H481H482116.8°119.8°
C45C50H501H502118.8°119.8°
C50C45C46H451125.3°119.9°
C50C45C46H452125.2°119.9°
C50C45H451H452117.9°120.2°
C50C45C46C4759.0°55.6°
C50C45C46H461175.7°64.2°
C50C45C46H46266.3°175.4°
H501C50C45C46173.0°58.7°
H501C50C45H45161.7°61.1°
H501C50C45H45247.7°178.7°
H502C50C45C4663.6°178.5°
H502C50C45H451171.1°58.6°
H502C50C45H45261.7°61.6°
C46C45H451H452118.0°120.2°
C45C46C47H461125.3°119.8°
C45C46C47H462125.2°119.8°
C45C46H461H462117.3°120.3°
C45C46C47C4854.5°55.6°
C45C46C47H47170.8°175.6°
C45C46C47H472179.7°64.3°
H451C45C46C4766.3°175.5°
H451C45C46H46159.0°55.6°
H451C45C46H462168.4°64.7°
H452C45C46C47175.8°64.3°
H452C45C46H46150.5°175.8°
H452C45C46H46259.0°55.4°
C47C46H461H462117.4°120.3°
C46C47C48H471125.2°119.9°
C46C47C48H472125.2°120.0°
C46C47H471H472119.0°120.1°
C46C47C48H48168.8°178.4°
C46C47C48H482178.3°58.7°
H461C46C47C48179.7°64.2°
H461C46C47H47154.5°55.7°
H461C46C47H47255.0°175.8°
H462C46C47C4870.7°175.4°
H462C46C47H471164.0°64.7°
H462C46C47H47254.5°55.4°
C48C47H471H472119.0°120.1°
C47C48H481H482116.9°119.8°
H471C47C48H481166.0°58.6°
H471C47C48H48256.5°61.2°
H472C47C48H48156.5°61.6°
H472C47C48H48253.1°178.7°

222415

PDB entries from 2024-07-10

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