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G2I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O61C61sing1.43Å1.41Å
C61C51sing1.53Å1.55Å
C51C71sing1.53Å1.53Å
C51C41sing1.53Å1.54Å
C71N11sing1.47Å1.47Å
N11C21sing1.47Å1.46Å
C21C31sing1.53Å1.53Å
C31O31sing1.43Å1.43Å
C31C41sing1.53Å1.53Å
C41O41sing1.43Å1.41Å
O41C12sing1.43Å1.42Å
C12C22sing1.53Å1.53Å
C12O52sing1.43Å1.41Å
C22O22sing1.43Å1.41Å
C22C32sing1.53Å1.54Å
C32O32sing1.43Å1.41Å
C32C42sing1.53Å1.52Å
O52C52sing1.43Å1.42Å
C52C62sing1.53Å1.53Å
C52C42sing1.53Å1.55Å
C62O62sing1.43Å1.41Å
C42O42sing1.43Å1.44Å
O42C13sing1.43Å1.45Å
C13C23sing1.53Å1.54Å
C13O53sing1.43Å1.34Å
C23O23sing1.43Å1.43Å
C23C33sing1.53Å1.50Å
C33O33sing1.43Å1.44Å
C33C43sing1.53Å1.53Å
C43O43sing1.43Å1.38Å
C43C53sing1.53Å1.53Å
O53C53sing1.43Å1.40Å
C53C63sing1.53Å1.54Å
C63O63sing1.43Å1.40Å
O61HO61sing0.97Å0.95Å
C61H61sing1.09Å1.10Å
C61H61Asing1.09Å1.10Å
C51H51sing1.09Å1.10Å
C71H71sing1.09Å1.10Å
C71H71Asing1.09Å1.10Å
N11HN11sing1.01Å1.00Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C31H31sing1.09Å1.10Å
O31HO31sing0.97Å0.95Å
C41H41sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
O22HO22sing0.97Å0.95Å
C32H32sing1.09Å1.10Å
O32HO32sing0.97Å0.95Å
C52H52sing1.09Å1.10Å
C62H62sing1.09Å1.10Å
C62H62Asing1.09Å1.10Å
O62HO62sing0.97Å0.95Å
C42H42sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
O23HO23sing0.97Å0.95Å
C33H33sing1.09Å1.10Å
O33HO33sing0.97Å0.95Å
C43H43sing1.09Å1.10Å
O43HO43sing0.97Å0.95Å
C53H53sing1.09Å1.10Å
C63H63sing1.09Å1.10Å
C63H63Asing1.09Å1.10Å
O63HO63sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O61C61C51112.3°109.5°
C61O61HO61109.5°114.0°
O61C61H61108.5°109.5°
O61C61H61A107.9°109.4°
C61C51C71110.9°109.5°
C61C51C41114.1°109.5°
C51C61H61108.5°109.5°
C51C61H61A107.9°109.5°
C61C51H51105.2°109.5°
C71C51C41109.3°109.3°
C51C71N11109.2°109.5°
C71C51H51110.3°109.5°
C51C71H71109.6°109.4°
C51C71H71A109.6°109.5°
C51C41C31108.7°109.1°
C51C41O41117.3°109.6°
C41C51H51106.9°109.6°
C51C41H41103.5°109.5°
C71N11C21111.0°111.2°
N11C71H71109.6°109.4°
N11C71H71A109.6°109.5°
C71N11HN11109.0°111.1°
N11C21C31114.1°109.5°
C21N11HN11109.0°110.9°
N11C21H21108.0°109.5°
N11C21H21A106.9°109.5°
C21C31O31109.8°109.5°
C21C31C41112.7°109.3°
C31C21H21108.0°109.4°
C31C21H21A106.9°109.5°
C21C31H31107.3°109.5°
O31C31C41110.2°109.5°
O31C31H31109.9°109.5°
C31O31HO31109.5°114.0°
C31C41O41105.9°109.5°
C41C31H31106.8°109.5°
C31C41H41115.4°109.5°
C41O41C12113.9°114.0°
O41C41H41106.4°109.6°
O41C12C22109.7°109.5°
O41C12O52111.8°109.5°
O41C12H12107.3°109.5°
C22C12O52107.9°109.4°
C12C22O22109.3°109.5°
C12C22C32112.1°109.2°
C22C12H12111.1°109.5°
C12C22H22108.3°109.5°
C12O52C52112.3°114.1°
O52C12H12109.1°109.5°
O22C22C32110.9°109.5°
O22C22H22109.6°109.5°
C22O22HO22109.5°114.0°
C22C32O32109.3°109.6°
C22C32C42111.9°109.0°
C32C22H22106.6°109.6°
C22C32H32108.1°109.5°
O32C32C42110.0°109.6°
O32C32H32110.0°109.6°
C32O32HO32109.5°114.0°
C32C42C52110.4°109.2°
C32C42O42112.1°109.5°
C42C32H32107.4°109.6°
C32C42H42108.7°109.5°
O52C52C62108.6°109.5°
O52C52C42113.3°109.4°
O52C52H52107.9°109.5°
C62C52C42110.7°109.5°
C52C62O62111.0°109.5°
C62C52H52110.6°109.5°
C52C62H62109.0°109.5°
C52C62H62A108.6°109.5°
C52C42O42114.1°109.5°
C42C52H52105.7°109.5°
C52C42H42106.5°109.5°
O62C62H62109.0°109.5°
O62C62H62A108.6°109.5°
C62O62HO62109.5°114.0°
C42O42C13111.6°114.0°
O42C42H42104.6°109.6°
O42C13C23115.2°109.5°
O42C13O53110.9°109.5°
O42C13H13107.7°109.5°
C23C13O53117.5°109.4°
C13C23O23110.4°109.5°
C13C23C33114.9°109.2°
C23C13H1399.1°109.5°
C13C23H23104.4°109.5°
C13O53C53122.7°114.1°
O53C13H13104.7°109.5°
O23C23C33107.4°109.5°
O23C23H23112.3°109.5°
C23O23HO23109.5°114.0°
C23C33O33110.4°109.5°
C23C33C43121.1°109.0°
C33C23H23107.6°109.6°
C23C33H33108.9°109.6°
O33C33C43123.2°109.5°
O33C33H33104.4°109.5°
C33O33HO33109.5°114.0°
C33C43O43104.4°109.5°
C33C43C53114.9°109.1°
C43C33H3381.2°109.6°
C33C43H43109.6°109.5°
O43C43C53110.5°109.6°
O43C43H43114.2°109.5°
C43O43HO43109.5°114.0°
C43C53O53119.1°109.4°
C43C53C63119.3°109.5°
C53C43H43103.5°109.6°
C43C53H5394.7°109.5°
O53C53C63118.7°109.5°
O53C53H5396.5°109.5°
C53C63O63113.6°109.5°
C63C53H5395.8°109.5°
C53C63H63108.1°109.5°
C53C63H63A107.2°109.5°
O63C63H63108.1°109.5°
O63C63H63A107.2°109.5°
C63O63HO63109.5°114.1°
H61C61H61A111.7°109.5°
H71C71H71A109.2°109.5°
H21C21H21A113.2°109.4°
H62C62H62A110.7°109.5°
H63C63H63A112.7°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O61C61C51H61120.0°120.0°
O61C61C51H61A118.8°120.0°
O61C61C51C7163.9°65.0°
O61C61C51C4160.1°175.2°
O61C61H61H61A118.8°120.0°
O61C61C51H51176.9°55.1°
C61C51C71C41126.6°119.9°
C61C51C71H51116.1°120.0°
C61C51C41H51115.8°120.1°
C61C51C71N11168.7°179.1°
C61C51C41C31177.3°177.6°
C61C51C41O4157.3°62.5°
C51C61O61HO6176.3°180.0°
C51C61H61H61A118.9°120.0°
C61C51C71H7148.7°60.9°
C61C51C71H71A71.2°59.2°
C61C51C41H4159.5°57.7°
C71C51C41H51119.4°120.0°
C51C71N11H71120.0°120.0°
C51C71N11H71A120.1°120.0°
C51C71N11C2161.4°61.8°
C71C51C41C3157.9°57.7°
C71C51C41O41177.9°177.6°
C71C51C61H61176.1°55.0°
C71C51C61H61A54.9°175.0°
C51C71H71H71A120.1°120.0°
C51C71N11HN1158.6°62.3°
C71C51C41H4165.2°62.2°
C41C51C71N1164.7°59.2°
C51C41C31C2149.5°57.7°
C51C41C31O31172.5°177.6°
C51C41C31O41126.8°119.9°
C51C41C31H41115.7°119.9°
C51C41O41H41115.2°120.2°
C51C41O41C1298.7°150.0°
C41C51C61H6159.9°64.8°
C41C51C61H61A178.9°55.2°
C41C51C71H71175.3°179.2°
C41C51C71H71A55.4°60.8°
C51C41C31H3168.1°62.3°
C71N11C21HN11120.0°124.1°
C71N11C21C3153.6°61.8°
N11C71C51H5152.5°60.8°
N11C71H71H71A120.1°120.0°
C71N11C21H21173.6°178.2°
C71N11C21H21A64.4°58.3°
N11C21C31H21120.0°120.0°
N11C21C31H21A117.9°120.0°
N11C21C31O31171.4°179.1°
N11C21C31C4148.2°59.2°
C21N11C71H71178.5°178.3°
C21N11C71H71A58.7°58.2°
N11C21H21H21A118.1°120.0°
N11C21C31H3169.1°60.8°
C21C31O31C41124.7°119.8°
C21C31O31H31117.8°120.1°
C21C31C41H31117.6°120.0°
C21C31C41O41176.4°177.6°
C31C21N11HN1166.4°62.4°
C31C21H21H21A118.1°120.0°
C21C31O31HO31168.4°60.0°
C21C31C41H4166.2°62.2°
O31C31C41H31119.4°120.1°
O31C31C41O4160.6°62.5°
O31C31C21H2168.6°60.9°
O31C31C21H21A53.5°59.1°
O31C31C41H4156.8°57.7°
C31C41O41H41123.3°120.1°
C31C41O41C12139.9°90.3°
C31C41C51H5161.5°62.3°
C41C31C21H21168.2°179.2°
C41C31C21H21A69.7°60.8°
C41C31O31HO3166.9°179.8°
C41O41C12C22170.8°175.0°
C41O41C12O5269.5°65.1°
O41C41C51H5158.5°57.5°
O41C41C31H3158.8°57.6°
C41O41C12H1250.0°55.0°
O41C12C22O52122.0°120.0°
O41C12C22H12118.5°120.0°
O41C12O52H12118.5°120.1°
O41C12C22O2256.4°62.5°
O41C12C22C32179.7°177.6°
O41C12O52C52174.5°178.9°
C12O41C41H4116.6°29.8°
O41C12C22H2263.0°57.6°
C22C12O52H12120.9°120.0°
C12C22O22C32124.0°119.7°
C12C22O22H22118.6°120.1°
C12C22C32H22118.4°119.9°
C12C22C32O32171.2°176.9°
C12C22C32C4249.1°57.0°
C22C12O52C5264.8°61.2°
C12C22O22HO2225.5°60.0°
C12C22C32H3269.0°62.9°
O52C12C22O22178.3°177.5°
O52C12C22C3258.4°57.6°
C12O52C52C62174.5°178.8°
C12O52C52C4262.0°61.2°
O52C12C22H2259.0°62.4°
C12O52C52H5254.6°58.8°
O22C22C32H22119.2°120.1°
O22C22C32O3266.4°63.2°
O22C22C32C42171.5°176.9°
O22C22C12H1262.1°57.5°
O22C22C32H3253.4°57.0°
C22C32O32C42123.2°119.6°
C22C32O32H32118.6°120.2°
C22C32C42H32118.5°119.8°
C22C32C42C5243.0°57.0°
C22C32C42O42171.4°176.8°
C32C22C12H1261.2°62.4°
C32C22O22HO2298.5°179.7°
C22C32O32HO32104.4°60.0°
C22C32C42H4273.5°63.0°
O32C32C42H32119.8°120.2°
O32C32C42C52164.7°176.9°
O32C32C42O4266.9°63.2°
O32C32C22H2252.8°56.9°
O32C32C42H4248.2°57.0°
C32C42C52O5249.1°57.6°
C32C42C52C62171.4°177.6°
C32C42C52O42127.3°119.9°
C32C42C52H42117.8°119.9°
C32C42O42H42117.6°120.1°
C32C42O42C1392.6°90.0°
C42C32C22H2269.3°63.0°
C42C32O32HO32132.4°179.5°
C32C42C52H5268.8°62.4°
O52C52C62C42125.0°119.9°
O52C52C62H52118.2°120.0°
O52C52C42H52117.9°120.0°
O52C52C62O6253.1°65.0°
O52C52C42O42176.5°177.5°
C52O52C12H1256.0°58.8°
O52C52C62H6266.8°175.0°
O52C52C62H62A172.5°55.0°
O52C52C42H4268.7°62.3°
C62C52C42H52119.8°120.1°
C52C62O62H62120.0°120.0°
C52C62O62H62A119.4°120.0°
C62C52C42O4261.2°62.5°
C52C62H62H62A119.4°120.0°
C52C62O62HO6247.0°180.0°
C62C52C42H4253.6°57.7°
C42C52C62O6271.8°175.1°
C52C42O42H42116.0°120.2°
C52C42O42C13140.9°150.3°
C52C42C32H3275.5°62.9°
C42C52C62H62168.2°55.1°
C42C52C62H62A47.5°64.9°
O62C62C52H52171.4°55.0°
O62C62H62H62A119.4°120.0°
C42O42C13C23132.3°175.0°
C42O42C13O5391.1°65.0°
O42C42C32H3252.9°57.0°
O42C42C52H5258.6°57.6°
C42O42C13H1322.9°55.0°
O42C13C23O53133.6°120.0°
O42C13C23H13114.5°120.1°
O42C13O53H13115.9°120.0°
O42C13C23O23131.0°62.5°
O42C13C23C33107.5°177.6°
O42C13O53C5395.6°178.9°
C13O42C42H4225.0°30.1°
O42C13C23H2310.1°57.6°
C23C13O53H13108.7°120.0°
C13C23O23C33125.9°119.7°
C13C23O23H23116.0°120.1°
C13C23C33H23115.7°119.9°
C13C23C33O33150.5°176.8°
C13C23C33C434.5°57.0°
C23C13O53C5339.9°61.1°
C13C23O23HO2373.4°60.0°
C13C23C33H3395.5°63.0°
O53C13C23O2395.5°177.5°
O53C13C23C3326.1°57.6°
C13O53C53C4329.0°61.2°
C13O53C53C63131.7°178.9°
O53C13C23H23143.7°62.4°
C13O53C53H53128.1°58.8°
O23C23C33H23121.1°120.2°
O23C23C33O3386.3°63.3°
O23C23C33C43118.7°176.8°
O23C23C13H1316.4°57.6°
O23C23C33H3327.7°56.9°
C23C33O33C43154.3°119.6°
C23C33O33H33116.8°120.2°
C23C33C43H33106.8°119.9°
C23C33C43O43126.3°176.9°
C23C33C43C535.1°57.0°
C33C23C13H13138.0°62.4°
C33C23O23HO2352.5°179.7°
C23C33O33HO33106.3°60.0°
C23C33C43H43110.9°63.0°
O33C33C43H33101.5°120.2°
O33C33C43O4382.0°63.2°
O33C33C43C53156.8°176.8°
O33C33C23H2334.8°56.9°
O33C33C43H4340.8°56.9°
C33C43O43C53124.1°119.7°
C33C43O43H43119.7°120.1°
C33C43C53H43119.5°119.9°
C33C43C53O535.1°57.6°
C33C43C53C63155.5°177.6°
C43C33C23H23120.2°62.9°
C43C33O33HO3399.4°179.6°
C33C43O43HO4397.1°60.0°
C33C43C53H53105.2°62.4°
O43C43C53H43122.6°120.2°
O43C43C53O53112.7°177.5°
O43C43C53C6386.7°62.5°
O43C43C33H3319.5°57.0°
O43C43C53H5312.6°57.5°
C43C53O53C63160.7°120.0°
C43C53O53H5399.1°120.0°
C43C53C63H5398.7°120.0°
C43C53C63O63167.8°175.0°
C53C43C33H33101.7°63.0°
C53C43O43HO4327.0°179.7°
C43C53C63H6372.2°54.9°
C43C53C63H63A49.6°65.0°
O53C53C63H53100.7°120.0°
O53C53C63O637.2°65.0°
C53O53C13H13148.5°58.8°
O53C53C43H43124.6°62.3°
O53C53C63H63127.2°174.9°
O53C53C63H63A111.0°55.0°
C53C63O63H63120.0°120.0°
C53C63O63H63A118.2°120.0°
C63C53C43H4336.0°57.7°
C53C63H63H63A118.3°120.0°
C53C63O63HO63115.1°180.0°
O63C63C53H5393.5°55.0°
O63C63H63H63A118.3°120.0°
HO61O61C61H6143.7°60.0°
HO61O61C61H61A164.9°60.0°
H61C61C51H5156.9°175.1°
H61AC61C51H5164.3°64.9°
H51C51C71H7167.5°59.1°
H51C51C71H71A172.7°179.2°
H51C51C41H41175.3°177.8°
H71C71N11HN1161.4°57.7°
H71AC71N11HN11178.7°177.7°
HN11N11C21H2153.6°57.6°
HN11N11C21H21A175.6°177.6°
H21C21C31H3150.9°59.2°
H21AC21C31H31172.9°179.2°
H31C31O31HO3150.6°60.1°
H31C31C41H41176.2°177.8°
H12C12C22H22178.5°177.6°
H22C22O22HO22144.1°60.1°
H22C22C32H32172.6°177.1°
H32C32O32HO3214.2°60.2°
H32C32C42H42168.0°177.2°
H52C52C62H6251.4°65.0°
H52C52C62H62A69.3°175.0°
H52C52C42H42173.4°177.7°
H62C62O62HO62167.0°60.0°
H62AC62O62HO6272.3°60.0°
H13C13C23H23104.5°177.7°
H23C23O23HO23170.6°60.0°
H23C23C33H33148.7°177.1°
H33C33O33HO3310.5°60.2°
H33C33C43H43142.2°177.1°
H43C43O43HO43143.2°60.1°
H43C43C53H53135.3°177.7°
H53C53C63H6326.5°65.1°
H53C53C63H63A148.3°175.0°
H63C63O63HO63124.9°59.9°
H63AC63O63HO633.1°60.0°

222624

PDB entries from 2024-07-17

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