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X97

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COdoub1.21Å1.23Å
CC1sing1.51Å1.51Å
C1C2sing1.53Å1.52Å
C2C3sing1.53Å1.52Å
C3N4sing1.46Å1.42Å
N4C5sing1.34Å1.42Å
N4C8sing1.35Å1.39Å
C5N6sing1.35Å1.41Å
C5O9doub1.22Å1.24Å
N6C7sing1.47Å1.48Å
C7C8sing1.52Å1.59Å
C7C11sing1.51Å1.53Å
C7C17sing1.51Å1.53Å
C8O10doub1.21Å1.23Å
C11C12doub1.38Å1.41ÅAromatic
C11C16sing1.38Å1.41ÅAromatic
C12C13sing1.38Å1.40ÅAromatic
C13C14doub1.38Å1.40ÅAromatic
C14C15sing1.38Å1.40ÅAromatic
C15C16doub1.38Å1.40ÅAromatic
C17C18doub1.38Å1.41ÅAromatic
C17C22sing1.38Å1.41ÅAromatic
C18C19sing1.38Å1.40ÅAromatic
C19C20doub1.38Å1.40ÅAromatic
C20C21sing1.38Å1.40ÅAromatic
C21C22doub1.38Å1.40ÅAromatic
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
N6HN6sing0.97Å1.00Å
C12H12sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
NCAsing1.47Å1.47Å
NCDsing1.47Å1.47Å
CAC4sing1.51Å1.53Å
CACBsing1.54Å1.53Å
CAHAsing1.09Å1.10Å
C4O1doub1.21Å1.23Å
CBCGsing1.55Å1.49Å
CBHB2sing1.09Å1.10Å
CBHB3sing1.09Å1.10Å
CGCDsing1.55Å1.50Å
CGHG2sing1.09Å1.10Å
CGHG3sing1.09Å1.10Å
CDHD2sing1.09Å1.10Å
CDHD3sing1.09Å1.10Å
N1CD1sing1.47Å1.48Å
N1CA1sing1.47Å1.47Å
CD1CG1sing1.54Å1.51Å
CA1CB1sing1.55Å1.53Å
CB1CG1sing1.55Å1.49Å
CD1HDsing1.09Å1.10Å
CD1HDAsing1.09Å1.10Å
CA1HA1sing1.09Å1.10Å
CA1HAAsing1.09Å1.10Å
CB1HBsing1.09Å1.10Å
CB1HBAsing1.09Å1.10Å
CG1HGsing1.09Å1.10Å
CG1HGAsing1.09Å1.10Å
CNsing1.35Å1.35Å
C4N1sing1.35Å1.34Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCC1120.3°120.0°
OCN122.0°120.0°
CC1C2108.5°109.5°
CC1H1109.8°109.5°
CC1H1A109.8°109.4°
C1CN117.0°120.0°
C1C2C3113.7°109.5°
C2C1H1109.8°109.5°
C2C1H1A109.8°109.5°
C1C2H2108.1°109.4°
C1C2H2A108.1°109.5°
C2C3N4114.7°109.5°
C3C2H2108.1°109.5°
C3C2H2A108.1°109.5°
C2C3H3107.8°109.4°
C2C3H3A107.7°109.4°
C3N4C5124.8°124.2°
C3N4C8124.3°124.2°
N4C3H3107.7°109.5°
N4C3H3A107.8°109.5°
C5N4C8110.8°111.7°
N4C5N6109.0°112.4°
N4C5O9125.9°123.8°
N4C8C7107.6°105.7°
N4C8O10124.1°127.1°
N6C5O9125.2°123.8°
C5N6C7111.4°106.7°
C5N6HN6124.3°126.7°
N6C7C8101.3°103.6°
N6C7C11110.1°110.6°
N6C7C17113.6°110.6°
C7N6HN6124.3°126.7°
C8C7C11111.1°110.8°
C8C7C17111.0°110.4°
C7C8O10128.3°127.2°
C11C7C17109.6°110.7°
C7C11C12119.7°120.0°
C7C11C16121.1°120.0°
C7C17C18120.3°120.0°
C7C17C22120.5°120.0°
C12C11C16119.1°120.0°
C11C12C13120.4°120.0°
C11C12H12119.8°120.0°
C11C16C15120.3°120.0°
C11C16H16119.8°120.0°
C12C13C14120.2°120.0°
C13C12H12119.8°120.0°
C12C13H13119.9°120.0°
C13C14C15119.9°120.0°
C14C13H13119.9°120.0°
C13C14H14120.1°120.0°
C14C15C16120.2°120.0°
C15C14H14120.1°120.0°
C14C15H15119.9°120.0°
C16C15H15119.9°120.0°
C15C16H16119.9°120.0°
C18C17C22119.2°119.9°
C17C18C19120.3°120.0°
C17C18H18119.8°119.9°
C17C22C21120.2°120.0°
C17C22H22119.9°120.0°
C18C19C20120.3°120.0°
C19C18H18119.8°120.0°
C18C19H19119.9°120.0°
C19C20C21119.7°120.0°
C20C19H19119.8°120.0°
C19C20H20120.2°120.0°
C20C21C22120.4°120.0°
C21C20H20120.2°120.0°
C20C21H21119.8°120.0°
C22C21H21119.8°120.0°
C21C22H22119.9°120.0°
H1C1H1A109.1°109.4°
H2C2H2A110.8°109.5°
H3C3H3A111.1°109.5°
CANCD112.0°108.7°
NCAC4113.0°109.9°
NCACB103.9°107.3°
NCAHA111.9°109.9°
CANC123.3°125.7°
NCDCG103.2°104.7°
NCDHD2111.6°110.4°
NCDHD3111.6°110.4°
CDNC124.7°125.6°
C4CACB112.1°109.8°
C4CAHA103.6°109.9°
CAC4O1120.8°120.0°
CAC4N1117.4°120.0°
CBCAHA112.7°110.0°
CACBCG104.9°103.0°
CACBHB2111.0°110.8°
CACBHB3111.0°110.7°
O1C4N1121.8°120.0°
CGCBHB2111.0°110.7°
CGCBHB3111.0°110.7°
CBCGCD106.7°101.5°
CBCGHG2110.4°111.0°
CBCGHG3110.4°111.0°
HB2CBHB3107.9°110.8°
CDCGHG2110.4°111.2°
CDCGHG3110.4°110.9°
CGCDHD2111.6°110.5°
CGCDHD3111.6°110.3°
HG2CGHG3108.5°110.9°
HD2CDHD3107.3°110.4°
CD1N1CA1111.7°108.7°
N1CD1CG1103.4°107.3°
N1CD1HD111.6°109.8°
N1CD1HDA111.5°109.9°
CD1N1C4122.0°125.6°
N1CA1CB1103.0°104.8°
N1CA1HA1111.7°110.4°
N1CA1HAA111.7°110.4°
CA1N1C4126.2°125.7°
CD1CG1CB1104.6°102.9°
CG1CD1HD111.6°109.9°
CG1CD1HDA111.6°109.9°
CD1CG1HG111.1°110.7°
CD1CG1HGA111.1°110.7°
CA1CB1CG1104.4°101.5°
CB1CA1HA1111.7°110.4°
CB1CA1HAA111.7°110.4°
CA1CB1HB111.2°111.0°
CA1CB1HBA111.2°111.0°
CG1CB1HB111.2°110.9°
CG1CB1HBA111.2°111.1°
CB1CG1HG111.1°110.8°
CB1CG1HGA111.1°110.6°
HDCD1HDA107.3°110.0°
HA1CA1HAA107.2°110.4°
HBCB1HBA107.7°110.9°
HGCG1HGA107.8°110.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCC1N171.2°179.7°
OCC1C215.0°0.0°
OCC1H1135.0°120.0°
OCC1H1A105.0°120.0°
OCNCA2.2°0.0°
OCNCD177.0°179.7°
CC1C2H1120.0°120.0°
CC1C2H1A120.0°120.0°
CC1C2C3177.0°180.0°
CC1H1H1A120.4°120.0°
CC1C2H257.0°60.0°
CC1C2H2A63.0°60.0°
C1CNCA173.2°179.7°
C1CNCD6.0°0.6°
C1C2C3H2120.0°120.0°
C1C2C3H2A120.0°120.0°
C1C2C3N449.5°180.0°
C2C1H1H1A120.4°120.0°
C1C2H2H2A118.2°120.0°
C1C2C3H3169.5°60.0°
C1C2C3H3A70.5°60.0°
C2C1CN173.9°179.7°
C2C3N4H3120.0°120.0°
C2C3N4H3A120.0°120.0°
C2C3N4C572.9°90.0°
C2C3N4C8104.1°90.3°
C3C2C1H162.9°60.0°
C3C2C1H1A57.0°60.0°
C3C2H2H2A118.3°120.0°
C2C3H3H3A117.8°119.9°
C3N4C5C8177.4°179.7°
C3N4C5N6177.3°179.9°
C3N4C5O91.1°0.1°
C3N4C8C7176.9°179.9°
C3N4C8O105.2°0.1°
N4C3C2H270.5°60.0°
N4C3C2H2A169.5°60.0°
N4C3H3H3A117.8°120.1°
N4C5N6O9178.4°180.0°
N4C5N6C70.3°0.0°
C5N4C8C70.5°0.4°
C5N4C8O10177.4°179.8°
C5N4C3H347.1°29.9°
C5N4C3H3A167.1°150.0°
N4C5N6HN6179.6°180.0°
C8N4C5N60.1°0.3°
C8N4C5O9178.5°179.8°
N4C8C7N60.7°0.4°
N4C8C7O10177.7°179.8°
N4C8C7C11116.3°118.3°
N4C8C7C17121.6°118.8°
C8N4C3H3135.9°149.7°
C8N4C3H3A15.9°29.6°
C5N6C7HN6180.0°180.0°
C5N6C7C80.6°0.2°
C5N6C7C11117.0°118.5°
C5N6C7C17119.7°118.5°
O9C5N6C7178.0°180.0°
O9C5N6HN62.0°0.0°
N6C7C8C11116.9°118.7°
N6C7C8C17120.9°118.4°
N6C7C11C17125.6°122.9°
N6C7C8O10177.1°179.8°
N6C7C11C1256.1°162.2°
N6C7C11C16121.7°17.5°
N6C7C17C187.5°14.5°
N6C7C17C22172.0°165.3°
C8C7C11C17123.0°122.8°
C8C7C11C12167.5°47.9°
C8C7C11C1610.3°131.8°
C8C7C17C18105.9°128.5°
C8C7C17C2274.6°51.3°
C8C7N6HN6179.4°179.8°
C11C7C8O1066.0°61.6°
C7C11C12C16177.8°179.7°
C7C11C12C13177.6°180.0°
C7C11C16C15177.6°179.8°
C11C7C17C18131.1°108.5°
C11C7C17C2248.4°71.7°
C11C7N6HN663.0°61.5°
C7C11C12H122.4°0.0°
C7C11C16H162.4°0.0°
C17C7C8O1056.2°61.4°
C17C7C11C1269.6°74.8°
C17C7C11C16112.6°105.5°
C7C17C18C22179.5°179.8°
C7C17C18C19179.5°180.0°
C7C17C22C21179.5°179.8°
C17C7N6HN660.3°61.5°
C7C17C18H180.5°0.0°
C7C17C22H220.5°0.1°
C11C12C13H12180.0°180.0°
C11C12C13C140.1°NaN°
C12C11C16C150.2°0.5°
C11C12C13H13180.0°179.9°
C12C11C16H16179.8°179.7°
C16C11C12C130.2°0.3°
C11C16C15C140.1°0.4°
C11C16C15H16180.0°179.9°
C16C11C12H12179.8°179.7°
C11C16C15H15179.9°179.7°
C12C13C14H13180.0°179.9°
C12C13C14C150.1°0.1°
C12C13C14H14179.9°180.0°
C13C14C15H14180.0°179.9°
C13C14C15C160.1°0.1°
C14C13C12H12180.0°180.0°
C13C14C15H15179.9°180.0°
C14C15C16H15180.0°179.9°
C15C14C13H13179.9°180.0°
C14C15C16H16179.9°179.8°
C16C15C14H14179.9°179.8°
C17C18C19H18180.0°180.0°
C17C18C19C200.0°0.0°
C18C17C22C210.0°0.4°
C17C18C19H19180.0°179.9°
C18C17C22H22180.0°179.7°
C22C17C18C190.0°0.3°
C17C22C21C200.1°0.3°
C17C22C21H22180.0°179.9°
C22C17C18H18180.0°179.8°
C17C22C21H21179.9°179.7°
C18C19C20H19180.0°179.9°
C18C19C20C210.1°0.1°
C18C19C20H20179.9°180.0°
C19C20C21H20180.0°179.9°
C19C20C21C220.1°0.1°
C20C19C18H18180.0°180.0°
C19C20C21H21179.9°180.0°
C20C21C22H21180.0°179.9°
C21C20C19H19179.9°180.0°
C20C21C22H22180.0°179.8°
C22C21C20H20179.9°179.9°
H1C1C2H2177.0°180.0°
H1C1C2H2A57.1°60.0°
H1C1CN53.8°59.7°
H1AC1C2H263.0°60.0°
H1AC1C2H2A177.1°180.0°
H1AC1CN66.1°60.2°
H2C2C3H349.5°179.9°
H2C2C3H3A169.5°60.0°
H2AC2C3H370.5°60.1°
H2AC2C3H3A49.5°180.0°
H12C12C13H130.0°0.1°
H13C13C14H140.1°0.1°
H14C14C15H150.1°0.1°
H15C15C16H160.1°0.2°
H18C18C19H190.0°0.0°
H19C19C20H200.1°0.0°
H20C20C21H210.1°0.1°
H21C21C22H220.0°0.2°
CANCDC179.3°179.8°
NCAC4CB117.0°117.8°
NCAC4HA121.2°121.0°
NCACBHA121.3°119.5°
NCAC4O127.4°0.1°
NCACBCG20.7°22.2°
NCACBHB2140.7°140.6°
NCACBHB399.3°96.2°
CANCDCG15.2°24.4°
CANCDHD2104.8°94.5°
CANCDHD3135.2°143.2°
NCAC4N1153.4°180.0°
CDNCAC4118.4°120.7°
CDNCACB3.4°1.3°
CDNCAHA125.2°118.3°
NCDCGCB28.2°37.3°
NCDCGHD2120.0°118.9°
NCDCGHD3120.0°118.8°
NCDCGHG291.8°80.8°
NCDCGHG3148.2°155.3°
NCDHD2HD3122.5°122.3°
C4CACBHA116.4°121.1°
CAC4O1N1179.1°179.9°
C4CACBCG101.6°97.2°
C4CACBHB218.4°21.1°
C4CACBHB3138.4°144.4°
CAC4N1CD1176.8°180.0°
CAC4N1CA10.2°0.2°
C4CANC62.3°59.6°
CBCAC4O189.6°117.9°
CACBCGHB2120.0°118.4°
CACBCGHB3120.0°118.3°
CACBHB2HB3121.9°123.2°
CACBCGCD30.9°35.6°
CACBCGHG289.1°82.6°
CACBCGHG3150.9°153.6°
CBCANC175.9°178.9°
CBCAC4N189.6°62.2°
HACAC4O1148.7°121.0°
HACACBCG142.0°141.7°
HACACBHB298.0°99.9°
HACACBHB322.0°23.4°
HACANC54.1°61.5°
HACAC4N132.2°59.0°
O1C4N1CD14.1°0.1°
O1C4N1CA1179.0°179.7°
CGCBHB2HB3121.9°123.2°
CBCGCDHG2120.0°118.0°
CBCGCDHG3120.0°118.0°
CBCGHG2HG3121.1°123.9°
CBCGCDHD291.8°81.6°
CBCGCDHD3148.2°156.1°
HB2CBCGCD150.9°154.1°
HB2CBCGHG230.9°35.9°
HB2CBCGHG389.1°88.0°
HB3CBCGCD89.1°82.7°
HB3CBCGHG2150.9°159.1°
HB3CBCGHG330.9°35.2°
CDCGHG2HG3121.1°123.9°
CGCDHD2HD3122.5°122.3°
CGCDNC165.6°155.8°
HG2CGCDHD2148.2°160.4°
HG2CGCDHD328.2°38.0°
HG3CGCDHD228.2°36.4°
HG3CGCDHD391.8°85.9°
HD2CDNC74.4°85.3°
HD3CDNC45.6°37.0°
CD1N1CA1C4177.2°179.8°
N1CD1CG1HD120.0°119.4°
N1CD1CG1HDA120.0°119.4°
CD1N1CA1CB19.2°24.4°
N1CD1CG1CB130.4°22.0°
N1CD1HDHDA122.5°121.1°
CD1N1CA1HA1110.8°94.5°
CD1N1CA1HAA129.2°143.2°
N1CD1CG1HG150.4°140.5°
N1CD1CG1HGA89.6°96.2°
CA1N1CD1CG112.9°1.3°
N1CA1CB1HA1120.0°118.8°
N1CA1CB1HAA120.0°118.9°
N1CA1CB1CG128.0°37.1°
CA1N1CD1HD107.2°120.7°
CA1N1CD1HDA132.9°118.2°
N1CA1HA1HAA122.6°122.3°
N1CA1CB1HB148.0°155.0°
N1CA1CB1HBA92.0°81.1°
CD1CG1CB1CA136.7°35.5°
CD1CG1CB1HG120.0°118.4°
CD1CG1CB1HGA120.0°118.3°
CG1CD1HDHDA122.5°121.2°
CD1CG1CB1HB156.7°153.5°
CD1CG1CB1HBA83.3°82.7°
CD1CG1HGHGA122.0°123.2°
CG1CD1N1C4164.5°179.0°
CA1CB1CG1HB120.0°118.0°
CA1CB1CG1HBA120.0°118.1°
CB1CA1HA1HAA122.6°122.3°
CA1CB1HBHBA122.0°123.9°
CA1CB1CG1HG156.7°153.9°
CA1CB1CG1HGA83.3°82.8°
CB1CA1N1C4173.5°155.9°
CB1CG1CD1HD89.6°97.3°
CB1CG1CD1HDA150.3°141.4°
CG1CB1CA1HA192.0°81.7°
CG1CB1CA1HAA148.0°156.0°
CG1CB1HBHBA122.1°124.0°
CB1CG1HGHGA122.0°123.2°
HDCD1CG1HG30.4°21.2°
HDCD1CG1HGA150.4°144.4°
HDCD1N1C475.5°59.6°
HDACD1CG1HG89.6°100.0°
HDACD1CG1HGA30.4°23.2°
HDACD1N1C444.5°61.6°
HA1CA1CB1HB28.0°36.2°
HA1CA1CB1HBA148.1°160.1°
HA1CA1N1C466.5°85.3°
HAACA1CB1HB92.0°86.1°
HAACA1CB1HBA28.1°37.8°
HAACA1N1C453.5°37.0°
HBCB1CG1HG83.3°88.1°
HBCB1CG1HGA36.7°35.2°
HBACB1CG1HG36.7°35.8°
HBACB1CG1HGA156.7°159.1°

222926

PDB entries from 2024-07-24

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