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HRB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CP5CP4sing1.53Å1.53Å
CP5HP51sing1.09Å1.10Å
CP5HP52sing1.09Å1.10Å
CP5HP53sing1.09Å1.10Å
CP4CP3sing1.53Å1.53Å
CP4HP41sing1.09Å1.10Å
CP4HP42sing1.09Å1.10Å
CP3CP2sing1.53Å1.53Å
CP3HP31sing1.09Å1.10Å
CP3HP32sing1.09Å1.10Å
CP2CP1sing1.53Å1.53Å
CP2HP21sing1.09Å1.10Å
CP2HP22sing1.09Å1.10Å
CP1C5sing1.53Å1.53Å
CP1HP11sing1.09Å1.10Å
CP1HP12sing1.09Å1.10Å
C5O1sing1.44Å1.44Å
C5C4sing1.55Å1.53Å
C5H5sing1.09Å1.10Å
O1C2sing1.44Å1.44Å
C2O2sing1.43Å1.43Å
C2C3sing1.54Å1.53Å
C2H2sing1.09Å1.10Å
O2HO2sing0.97Å0.95Å
C3C4sing1.55Å1.53Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C4NE2sing1.46Å1.48Å
C4H4sing1.09Å1.10Å
NE2CD2sing1.37Å1.33ÅAromatic
NE2CE1sing1.35Å1.33ÅAromatic
CD2CGdoub1.35Å1.33ÅAromatic
CD2HD2sing1.08Å1.08Å
CE1ND1doub1.31Å1.33ÅAromatic
CE1HE1sing1.08Å1.08Å
ND1CGsing1.34Å1.33ÅAromatic
CGCBsing1.51Å1.53Å
CBCAsing1.53Å1.53Å
CBHB1sing1.09Å1.10Å
CBHB2sing1.09Å1.10Å
CACsing1.51Å1.53Å
CANsing1.47Å1.47Å
CAHAsing1.09Å1.10Å
COsing1.34Å1.25Å
COXTdoub1.21Å1.25Å
OHOsing0.97Å0.95Å
NCA1sing1.35Å1.33Å
NHNsing0.97Å1.00Å
CA1CA2sing1.51Å1.53Å
CA1OA1doub1.21Å1.23Å
CA2HA21sing1.09Å1.10Å
CA2HA22sing1.09Å1.10Å
CA2HA23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CP4CP5HP51109.4°109.4°
CP4CP5HP52109.5°109.5°
CP4CP5HP53109.5°109.5°
CP5CP4CP3110.4°109.4°
CP5CP4HP41108.9°109.5°
CP5CP4HP42109.2°109.5°
HP51CP5HP52109.5°109.5°
HP51CP5HP53109.5°109.5°
HP52CP5HP53109.5°109.5°
CP3CP4HP41108.9°109.5°
CP3CP4HP42109.1°109.5°
CP4CP3CP2111.0°109.5°
CP4CP3HP31108.6°109.4°
CP4CP3HP32108.9°109.4°
HP41CP4HP42110.2°109.5°
CP2CP3HP31108.6°109.5°
CP2CP3HP32109.0°109.5°
CP3CP2CP1110.5°109.5°
CP3CP2HP21108.9°109.5°
CP3CP2HP22109.1°109.5°
HP31CP3HP32110.7°109.5°
CP1CP2HP21108.9°109.4°
CP1CP2HP22109.1°109.5°
CP2CP1C5111.2°109.5°
CP2CP1HP11108.5°109.5°
CP2CP1HP12108.9°109.5°
HP21CP2HP22110.3°109.5°
C5CP1HP11108.5°109.5°
C5CP1HP12108.9°109.4°
CP1C5O1111.8°110.6°
CP1C5C4107.9°110.6°
CP1C5H5107.9°110.5°
HP11CP1HP12110.8°109.5°
O1C5C4106.2°103.6°
O1C5H5109.7°110.6°
C5O1C2107.5°107.0°
C4C5H5113.4°110.6°
C5C4C3101.4°102.0°
C5C4NE2112.9°111.1°
C5C4H4113.5°110.7°
O1C2O2110.6°109.9°
O1C2C3102.8°107.3°
O1C2H2113.6°109.9°
O2C2C3110.9°110.0°
O2C2H2105.8°109.9°
C2O2HO2109.5°106.8°
C3C2H2113.3°109.8°
C2C3C498.0°104.2°
C2C3H31115.8°110.5°
C2C3H32113.5°110.5°
C4C3H31115.8°110.3°
C4C3H32113.5°110.6°
C3C4NE2112.2°111.0°
C3C4H4114.2°110.9°
H31C3H32101.0°110.5°
NE2C4H4103.1°110.8°
C4NE2CD2126.8°126.4°
C4NE2CE1123.3°126.4°
CD2NE2CE1109.7°107.2°
NE2CD2CG107.0°106.8°
NE2CD2HD2126.5°126.6°
NE2CE1ND1106.4°108.7°
NE2CE1HE1126.8°125.6°
CGCD2HD2126.5°126.6°
CD2CGND1108.1°108.0°
CD2CGCB126.5°126.0°
ND1CE1HE1126.8°125.7°
CE1ND1CG108.8°109.3°
ND1CGCB125.3°126.0°
CGCBCA111.2°109.5°
CGCBHB1108.5°109.5°
CGCBHB2108.9°109.5°
CACBHB1108.5°109.5°
CACBHB2108.9°109.5°
CBCAC110.1°109.5°
CBCAN110.4°109.5°
CBCAHA108.6°109.5°
HB1CBHB2110.8°109.4°
CCAN110.2°109.4°
CCAHA108.9°109.4°
CACO116.8°120.0°
CACOXT117.3°120.0°
NCAHA108.5°109.4°
CANCA1122.3°120.0°
CANHN118.8°119.9°
OCOXT125.9°120.0°
COHO109.5°120.0°
CA1NHN118.9°120.0°
NCA1CA2114.9°120.0°
NCA1OA1124.3°120.0°
CA2CA1OA1120.8°120.0°
CA1CA2HA21109.5°109.4°
CA1CA2HA22109.4°109.5°
CA1CA2HA23109.5°109.5°
HA21CA2HA22109.5°109.5°
HA21CA2HA23109.4°109.5°
HA22CA2HA23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CP4CP5HP51HP52120.0°120.0°
CP4CP5HP51HP53120.0°120.0°
CP4CP5HP52HP53120.0°120.0°
CP5CP4CP3HP41119.6°120.0°
CP5CP4CP3HP42120.0°120.0°
CP5CP4HP41HP42119.8°120.0°
CP5CP4CP3CP2175.8°180.0°
CP5CP4CP3HP3156.4°60.0°
CP5CP4CP3HP3264.2°60.0°
HP51CP5HP52HP53120.0°120.0°
HP51CP5CP4CP3141.8°180.0°
HP51CP5CP4HP4122.2°60.0°
HP51CP5CP4HP4298.2°60.0°
HP52CP5CP4CP321.8°60.0°
HP52CP5CP4HP4197.8°60.0°
HP52CP5CP4HP42141.8°180.0°
HP53CP5CP4CP398.2°60.0°
HP53CP5CP4HP41142.2°180.0°
HP53CP5CP4HP4221.8°60.0°
CP3CP4HP41HP42119.7°120.0°
CP4CP3CP2HP31119.4°120.0°
CP4CP3CP2HP32120.0°120.0°
CP4CP3HP31HP32119.6°119.9°
CP4CP3CP2CP1178.8°NaN°
CP4CP3CP2HP2161.6°60.0°
CP4CP3CP2HP2258.8°60.0°
HP41CP4CP3CP264.6°60.0°
HP41CP4CP3HP31176.0°180.0°
HP41CP4CP3HP3255.4°60.0°
HP42CP4CP3CP255.8°60.0°
HP42CP4CP3HP3163.6°60.0°
HP42CP4CP3HP32175.8°180.0°
CP2CP3HP31HP32119.6°120.1°
CP3CP2CP1HP21119.6°120.0°
CP3CP2CP1HP22120.0°120.0°
CP3CP2HP21HP22119.7°120.0°
CP3CP2CP1C5179.3°180.0°
CP3CP2CP1HP1160.0°60.0°
CP3CP2CP1HP1260.7°60.0°
HP31CP3CP2CP159.4°60.0°
HP31CP3CP2HP21179.0°180.0°
HP31CP3CP2HP2260.5°59.9°
HP32CP3CP2CP161.2°60.0°
HP32CP3CP2HP2158.4°59.9°
HP32CP3CP2HP22178.8°180.0°
CP1CP2HP21HP22119.7°120.0°
CP2CP1C5HP11119.2°120.1°
CP2CP1C5HP12120.0°120.0°
CP2CP1HP11HP12119.5°120.0°
CP2CP1C5O163.1°68.6°
CP2CP1C5C4179.5°177.2°
CP2CP1C5H557.6°54.3°
HP21CP2CP1C561.2°60.0°
HP21CP2CP1HP11179.6°180.0°
HP21CP2CP1HP1258.9°60.0°
HP22CP2CP1C559.3°60.0°
HP22CP2CP1HP1160.0°60.0°
HP22CP2CP1HP12179.3°180.0°
C5CP1HP11HP12119.5°119.9°
CP1C5O1C4117.5°118.6°
CP1C5O1H5119.7°122.8°
CP1C5C4H5119.5°122.8°
CP1C5O1C2112.1°158.6°
CP1C5C4C3145.0°155.4°
CP1C5C4NE294.8°86.3°
CP1C5C4H422.0°37.3°
HP11CP1C5O1177.6°51.5°
HP11CP1C5C461.2°62.8°
HP11CP1C5H561.7°174.3°
HP12CP1C5O156.9°171.4°
HP12CP1C5C459.5°57.2°
HP12CP1C5H5177.6°65.7°
O1C5C4H5120.5°118.6°
C5O1C2O284.7°146.1°
C5O1C2C333.7°26.5°
C5O1C2H2156.5°92.9°
O1C5C4C324.9°36.8°
O1C5C4NE2145.2°155.1°
O1C5C4H498.0°81.3°
C4C5O1C25.4°40.0°
C5C4C3C243.2°20.7°
C5C4C3NE2120.7°118.4°
C5C4C3H4122.5°117.9°
C5C4C3H31167.0°98.0°
C5C4C3H3276.8°139.5°
C5C4NE2H4122.8°123.6°
C5C4NE2CD251.2°126.1°
C5C4NE2CE1134.0°54.2°
H5C5O1C2128.3°78.6°
H5C5C4C395.5°81.8°
H5C5C4NE224.7°36.5°
H5C5C4H4141.5°160.1°
O1C2O2C3113.4°117.9°
O1C2O2H2123.4°121.1°
O1C2C3H2122.9°119.5°
O1C2O2HO210.5°61.4°
O1C2C3C447.7°2.2°
O1C2C3H31171.5°120.7°
O1C2C3H3272.3°116.6°
O2C2C3H2118.8°121.0°
O2C2C3C470.5°121.7°
O2C2C3H3153.3°119.8°
O2C2C3H32169.5°2.9°
C3C2O2HO2102.9°179.4°
C2C3C4H31123.8°118.6°
C2C3C4H32120.0°118.8°
C2C3H31H32123.0°122.7°
C2C3C4NE2163.9°139.1°
C2C3C4H479.3°97.3°
H2C2O2HO2133.9°59.6°
H2C2C3C4170.7°117.3°
H2C2C3H3165.5°1.2°
H2C2C3H3250.7°123.9°
C4C3H31H32123.1°122.6°
C3C4NE2H4123.3°123.7°
C3C4NE2CD262.6°121.2°
C3C4NE2CE1112.1°58.5°
H31C3C4NE272.3°20.5°
H31C3C4H444.5°144.1°
H32C3C4NE243.9°102.1°
H32C3C4H4160.7°21.5°
C4NE2CD2CE1175.3°179.7°
C4NE2CD2CG174.6°179.9°
C4NE2CD2HD25.4°0.2°
C4NE2CE1ND1175.2°180.0°
C4NE2CE1HE14.8°0.0°
H4C4NE2CD2174.1°2.5°
H4C4NE2CE111.2°177.8°
NE2CD2CGHD2180.0°179.6°
CD2NE2CE1ND10.3°0.3°
CD2NE2CE1HE1179.7°179.8°
NE2CD2CGND10.8°0.4°
NE2CD2CGCB177.1°179.9°
CE1NE2CD2CG0.7°0.4°
CE1NE2CD2HD2179.3°179.9°
NE2CE1ND1HE1180.0°180.0°
NE2CE1ND1CG0.2°0.0°
CD2CGND1CE10.6°0.3°
CD2CGND1CB177.9°179.7°
CD2CGCBCA128.8°125.3°
CD2CGCBHB19.5°114.7°
CD2CGCBHB2111.2°5.3°
HD2CD2CGND1179.2°179.9°
HD2CD2CGCB3.0°0.3°
CE1ND1CGCB177.3°179.9°
HE1CE1ND1CG179.8°180.0°
ND1CGCBCA48.7°55.1°
ND1CGCBHB1168.0°65.0°
ND1CGCBHB271.3°175.1°
CGCBCAHB1119.3°120.1°
CGCBCAHB2120.0°120.0°
CGCBHB1HB2119.5°120.0°
CGCBCAC169.6°175.0°
CGCBCAN68.5°65.0°
CGCBCAHA50.5°55.0°
CACBHB1HB2119.5°119.9°
CBCACN122.1°120.0°
CBCACHA119.0°120.0°
CBCANHA119.0°120.1°
CBCACO93.2°60.0°
CBCACOXT87.4°120.0°
CBCANCA1131.7°155.0°
CBCANHN48.3°25.0°
HB1CBCAC71.1°54.9°
HB1CBCAN50.8°174.9°
HB1CBCAHA169.8°65.0°
HB2CBCAC49.6°65.0°
HB2CBCAN171.5°55.0°
HB2CBCAHA69.6°175.1°
CCANHA119.1°119.9°
CACOOXT179.3°180.0°
CACOHO179.3°180.0°
CCANCA1106.4°85.0°
CCANHN73.6°95.1°
NCACO144.7°180.0°
NCACOXT34.7°0.1°
CANCA1HN180.0°179.9°
CANCA1CA2179.5°180.0°
CANCA1OA10.4°0.0°
HACACO25.8°60.0°
HACACOXT153.6°120.0°
HACANCA112.8°34.9°
HACANHN167.2°145.0°
OXTCOHO0.0°0.0°
NCA1CA2OA1179.9°180.0°
NCA1CA2HA2159.4°90.0°
NCA1CA2HA2260.6°150.0°
NCA1CA2HA23179.4°29.9°
HNNCA1CA20.5°0.0°
HNNCA1OA1179.6°179.9°
CA1CA2HA21HA22120.0°120.0°
CA1CA2HA21HA23120.0°120.0°
CA1CA2HA22HA23120.0°120.0°
OA1CA1CA2HA21120.7°90.0°
OA1CA1CA2HA22119.3°30.0°
OA1CA1CA2HA230.7°150.1°
HA21CA2HA22HA23120.0°120.0°

222415

PDB entries from 2024-07-10

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