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BND

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CY1O2sing1.43Å1.52Å
CY1HY11sing1.09Å1.10Å
CY1HY12sing1.09Å1.10Å
CY1HY13sing1.09Å1.10Å
C1O1Adoub1.21Å1.25Å
C1O1Bsing1.34Å1.27Å
C1C2sing1.51Å1.55Å
O1BHO1Bsing0.97Å0.95Å
C2O2sing1.43Å1.40Å
C2C3sing1.53Å1.54Å
C2O6sing1.43Å1.45Å
C3C4sing1.53Å1.56Å
C3H32sing1.09Å1.10Å
C3H31sing1.09Å1.10Å
C4O4sing1.43Å1.41Å
C4C5sing1.53Å1.54Å
C4H4sing1.09Å1.10Å
O4HO4sing0.97Å0.99Å
C5N5sing1.46Å1.47Å
C5C6sing1.53Å1.54Å
C5H5sing1.09Å1.10Å
N5C10sing1.35Å1.34Å
N5HN5sing0.97Å0.99Å
C10O10doub1.21Å1.25Å
C10C11sing1.51Å1.51Å
C11H111sing1.09Å1.10Å
C11H113sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C6O6sing1.43Å1.47Å
C6C7sing1.53Å1.52Å
C6H6sing1.09Å1.10Å
C7O7sing1.43Å1.41Å
C7C8sing1.53Å1.54Å
C7H7sing1.09Å1.10Å
O7HO7sing0.97Å0.99Å
C8O8sing1.43Å1.41Å
C8C9sing1.53Å1.54Å
C8H8sing1.09Å1.10Å
O8HO8sing0.97Å0.99Å
C9NX6sing1.47Å1.46Å
C9H92sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
NX6C12sing1.35Å1.33Å
NX6HEsing0.97Å0.99Å
C12O12doub1.22Å1.22Å
C12C1Gsing1.48Å1.50Å
C1GCD1doub1.40Å1.39ÅAromatic
C1GCD2sing1.40Å1.39ÅAromatic
CD1CE1sing1.38Å1.39ÅAromatic
CD1HD1sing1.08Å1.06Å
CE1C1Zdoub1.38Å1.40ÅAromatic
CE1HE1sing1.08Å1.06Å
CD2CE2doub1.38Å1.40ÅAromatic
CD2HD2sing1.08Å1.06Å
CE2C1Zsing1.38Å1.39ÅAromatic
CE2HE2sing1.08Å1.06Å
C1ZH1Zsing1.08Å1.06Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2CY1HY11109.5°109.5°
O2CY1HY12109.5°109.5°
O2CY1HY13109.5°109.4°
CY1O2C2118.9°106.8°
HY11CY1HY12109.5°109.5°
HY11CY1HY13109.4°109.5°
HY12CY1HY13109.5°109.5°
O1AC1O1B123.6°120.0°
O1AC1C2117.1°120.0°
O1BC1C2119.2°120.1°
C1O1BHO1B123.7°120.0°
C1C2O2107.2°109.4°
C1C2C3113.0°109.4°
C1C2O6108.6°109.4°
O2C2C3106.8°109.4°
O2C2O6110.4°109.4°
C3C2O6110.8°109.8°
C2C3C4110.7°109.0°
C2C3H32109.2°109.6°
C2C3H31108.7°109.6°
C2O6C6114.5°107.6°
C4C3H32109.2°109.5°
C4C3H31108.7°109.5°
C3C4O4109.8°109.6°
C3C4C5114.2°108.7°
C3C4H4105.3°109.6°
H32C3H31110.3°109.6°
O4C4C5107.2°109.8°
O4C4H4112.5°109.6°
C4O4HO4109.5°106.8°
C5C4H4108.0°109.6°
C4C5N5106.4°109.6°
C4C5C6108.4°109.0°
C4C5H5113.4°109.5°
N5C5C6112.7°109.6°
N5C5H5109.0°109.5°
C5N5C10120.0°120.0°
C5N5HN5120.0°120.0°
C6C5H5107.1°109.5°
C5C6O6109.7°109.8°
C5C6C7116.3°109.4°
C5C6H6104.4°109.3°
C10N5HN5120.0°120.1°
N5C10O10123.7°120.1°
N5C10C11117.7°120.0°
O10C10C11118.6°119.9°
C10C11H111109.5°109.5°
C10C11H113109.5°109.5°
C10C11H112109.5°109.5°
H111C11H113109.5°109.5°
H111C11H112109.5°109.5°
H113C11H112109.5°109.4°
O6C6C7109.1°109.4°
O6C6H6112.3°109.5°
C7C6H6105.0°109.4°
C6C7O7108.6°109.5°
C6C7C8112.1°109.4°
C6C7H7107.4°109.5°
O7C7C8106.7°109.5°
O7C7H7112.7°109.4°
C7O7HO7109.5°106.9°
C8C7H7109.4°109.5°
C7C8O8112.7°109.5°
C7C8C9108.5°109.5°
C7C8H8108.5°109.5°
O8C8C9111.0°109.4°
O8C8H8105.9°109.5°
C8O8HO8109.5°106.8°
C9C8H8110.3°109.5°
C8C9NX6111.1°109.5°
C8C9H92109.1°109.5°
C8C9H91108.5°109.5°
NX6C9H92109.1°109.4°
NX6C9H91108.5°109.5°
C9NX6C12122.6°120.0°
C9NX6HE118.7°120.0°
H92C9H91110.6°109.4°
C12NX6HE118.7°120.0°
NX6C12O12119.8°120.0°
NX6C12C1G124.4°120.0°
O12C12C1G115.7°120.0°
C12C1GCD1121.1°120.2°
C12C1GCD2120.1°120.1°
CD1C1GCD2118.8°119.7°
C1GCD1CE1121.2°119.9°
C1GCD1HD1119.4°120.1°
C1GCD2CE2121.0°119.9°
C1GCD2HD2119.5°120.0°
CE1CD1HD1119.4°120.1°
CD1CE1C1Z119.6°120.2°
CD1CE1HE1120.2°120.0°
C1ZCE1HE1120.2°119.9°
CE1C1ZCE2120.3°120.3°
CE1C1ZH1Z119.9°119.9°
CE2CD2HD2119.5°120.1°
CD2CE2C1Z119.2°120.1°
CD2CE2HE2120.4°120.0°
C1ZCE2HE2120.4°119.9°
CE2C1ZH1Z119.8°119.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2CY1HY11HY12120.0°120.0°
O2CY1HY11HY13120.0°119.9°
O2CY1HY12HY13120.0°119.9°
CY1O2C2C167.1°62.8°
CY1O2C2C3171.5°177.4°
CY1O2C2O651.0°57.0°
HY11CY1HY12HY13120.0°120.1°
HY11CY1O2C266.3°174.4°
HY12CY1O2C253.7°54.4°
HY13CY1O2C2173.7°65.6°
O1AC1O1BC2178.9°180.0°
O1AC1O1BHO1B180.0°0.0°
O1AC1C2O269.1°96.7°
O1AC1C2C348.3°143.5°
O1AC1C2O6171.6°23.2°
O1BC1C2O2109.8°83.3°
O1BC1C2C3132.8°36.5°
O1BC1C2O69.4°156.9°
C2C1O1BHO1B1.2°180.0°
C1C2O2C3121.4°119.8°
C1C2O2O6118.1°119.8°
C1C2C3O6122.1°120.1°
C1C2C3C472.6°58.8°
C1C2C3H32167.2°178.6°
C1C2C3H3146.8°61.0°
C1C2O6C665.6°52.4°
O2C2C3O6120.3°120.1°
O2C2C3C4169.8°178.6°
O2C2C3H3249.6°61.5°
O2C2C3H3170.8°58.8°
O2C2O6C6177.2°172.3°
C2C3C4H32120.2°119.8°
C2C3C4H31119.4°119.9°
C2C3H32H31119.4°120.3°
C2C3C4O4169.1°173.6°
C2C3C4C548.7°53.7°
C2C3C4H469.6°66.1°
C3C2O6C659.0°67.6°
O6C2C3C449.5°61.2°
O6C2C3H3270.7°58.6°
O6C2C3H31168.9°178.9°
C2O6C6C563.1°67.6°
C2O6C6C7168.5°172.4°
C2O6C6H652.5°52.4°
C4C3H32H31119.4°120.2°
C3C4O4C5124.6°119.3°
C3C4O4H4116.9°120.3°
C3C4C5H4116.7°119.7°
C3C4O4HO4112.0°60.0°
C3C4C5N5173.2°173.7°
C3C4C5C651.7°53.7°
C3C4C5H567.0°66.1°
H32C3C4O448.9°53.8°
H32C3C4C571.6°66.2°
H32C3C4H4170.2°174.1°
H31C3C4O471.5°66.5°
H31C3C4C5168.0°173.5°
H31C3C4H449.8°53.8°
O4C4C5H4121.4°120.4°
O4C4C5N564.9°66.5°
O4C4C5C6173.6°173.5°
O4C4C5H554.9°53.7°
C5C4O4HO4123.5°179.3°
C4C5N5C6118.6°119.6°
C4C5N5H5122.6°120.2°
C4C5C6H5122.6°119.8°
C4C5N5C10124.1°89.9°
C4C5N5HN556.0°90.0°
C4C5C6O656.4°61.2°
C4C5C6C7179.2°178.7°
C4C5C6H664.1°58.9°
H4C4O4HO44.9°60.3°
H4C4C5N556.5°53.9°
H4C4C5C665.0°66.1°
H4C4C5H5176.3°174.1°
N5C5C6H5119.9°120.2°
C5N5C10HN5180.0°179.9°
C5N5C10O101.4°0.0°
C5N5C10C11178.4°180.0°
N5C5C6O6173.9°178.8°
N5C5C6C761.8°58.8°
N5C5C6H653.4°61.1°
C6C5N5C10117.3°150.4°
C6C5N5HN562.7°29.7°
C5C6O6C7128.4°120.0°
C5C6O6H6115.6°120.0°
C5C6C7H6114.8°119.8°
C5C6C7O759.7°60.0°
C5C6C7C8177.4°180.0°
C5C6C7H762.5°60.0°
H5C5N5C101.5°30.2°
H5C5N5HN5178.5°149.8°
H5C5C6O666.2°58.6°
H5C5C6C758.1°61.5°
H5C5C6H6173.3°178.7°
N5C10O10C11179.7°180.0°
N5C10C11H111165.0°180.0°
N5C10C11H11345.0°60.0°
N5C10C11H11275.0°60.0°
HN5N5C10O10178.6°180.0°
HN5N5C10C111.7°0.0°
O10C10C11H11114.7°0.0°
O10C10C11H113134.7°120.0°
O10C10C11H112105.2°120.0°
C10C11H111H113120.0°120.0°
C10C11H111H112120.0°120.0°
C10C11H113H112120.0°120.0°
H111C11H113H112120.0°120.0°
O6C6C7H6120.5°120.0°
O6C6C7O764.9°60.2°
O6C6C7C852.7°59.7°
O6C6C7H7172.9°179.8°
C6C7O7C8121.0°119.9°
C6C7O7H7118.9°120.0°
C6C7C8H7119.0°120.0°
C6C7O7HO798.2°60.0°
C6C7C8O852.4°60.0°
C6C7C8C9175.7°180.0°
C6C7C8H864.5°60.0°
H6C6C7O7174.5°179.8°
H6C6C7C867.8°60.2°
H6C6C7H752.3°59.8°
O7C7C8H7122.2°120.0°
O7C7C8O8171.2°180.0°
O7C7C8C965.6°60.0°
O7C7C8H854.2°60.0°
C8C7O7HO7140.8°60.0°
C7C8O8C9121.9°120.0°
C7C8O8H8118.4°120.0°
C7C8C9H8118.7°120.0°
C7C8O8HO840.3°60.0°
C7C8C9NX6175.2°180.0°
C7C8C9H9255.0°60.0°
C7C8C9H9165.6°60.0°
H7C7O7HO720.7°180.0°
H7C7C8O866.6°60.0°
H7C7C8C956.7°59.9°
H7C7C8H8176.5°180.0°
O8C8C9H8117.0°120.0°
O8C8C9NX660.5°60.0°
O8C8C9H92179.3°180.0°
O8C8C9H9158.8°60.1°
C9C8O8HO881.6°60.0°
C8C9NX6H92120.2°120.0°
C8C9NX6H91119.2°120.1°
C8C9H92H91119.3°120.0°
C8C9NX6C1290.5°180.0°
C8C9NX6HE89.5°0.0°
H8C8O8HO8158.8°180.0°
H8C8C9NX656.6°60.0°
H8C8C9H9263.7°60.0°
H8C8C9H91175.8°180.0°
NX6C9H92H91119.2°120.0°
C9NX6C12HE180.0°179.9°
C9NX6C12O1220.4°0.0°
C9NX6C12C1G159.3°180.0°
H92C9NX6C1229.7°60.0°
H92C9NX6HE150.3°120.0°
H91C9NX6C12150.3°60.0°
H91C9NX6HE29.8°120.1°
NX6C12O12C1G179.7°180.0°
NX6C12C1GCD110.1°180.0°
NX6C12C1GCD2170.4°0.2°
HENX6C12O12159.6°179.9°
HENX6C12C1G20.6°0.1°
O12C12C1GCD1170.2°0.0°
O12C12C1GCD29.3°179.8°
C12C1GCD1CD2179.5°179.8°
C12C1GCD1CE1179.5°180.0°
C12C1GCD1HD10.5°0.0°
C12C1GCD2CE2179.6°179.7°
C12C1GCD2HD20.4°0.2°
C1GCD1CE1HD1180.0°180.0°
C1GCD1CE1C1Z0.2°0.1°
C1GCD1CE1HE1179.8°180.0°
CD1C1GCD2CE20.1°0.5°
CD1C1GCD2HD2179.9°180.0°
CD2C1GCD1CE10.0°0.2°
CD2C1GCD1HD1179.9°179.8°
C1GCD2CE2HD2180.0°179.6°
C1GCD2CE2C1Z0.1°0.5°
C1GCD2CE2HE2180.0°179.8°
CD1CE1C1ZHE1180.0°179.9°
CD1CE1C1ZCE20.2°0.1°
CD1CE1C1ZH1Z179.8°180.0°
HD1CD1CE1C1Z179.8°179.9°
HD1CD1CE1HE10.2°0.1°
CE1C1ZCE2CD20.1°0.2°
CE1C1ZCE2H1Z180.0°179.9°
CE1C1ZCE2HE2179.9°179.9°
HE1CE1C1ZCE2179.8°180.0°
HE1CE1C1ZH1Z0.2°0.1°
CD2CE2C1ZHE2180.0°179.7°
CD2CE2C1ZH1Z179.9°179.7°
HD2CD2CE2C1Z179.9°180.0°
HD2CD2CE2HE20.0°0.2°
HE2CE2C1ZH1Z0.1°0.0°

223532

PDB entries from 2024-08-07

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