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168

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.51Å
C2H21sing1.09Å1.12Å
C2H22sing1.09Å1.12Å
C2H23sing1.09Å1.12Å
C1O1doub1.21Å1.23Å
C1OP1sing1.34Å1.45Å
OP1CP2sing1.45Å1.43Å
CP2CP3sing1.53Å1.52Å
CP2HP21sing1.09Å1.12Å
CP2HP22sing1.09Å1.11Å
CP3NP4sing1.47Å1.46Å
CP3HP31sing1.09Å1.11Å
CP3HP32sing1.09Å1.12Å
NP4CP5sing1.35Å1.33Å
NP4HP4sing0.97Å1.02Å
CP5OP5doub1.21Å1.22Å
CP5CP6sing1.51Å1.50Å
CP6CP7sing1.53Å1.53Å
CP6HP61sing1.09Å1.11Å
CP6HP62sing1.09Å1.12Å
CP7NP8sing1.46Å1.45Å
CP7HP71sing1.09Å1.11Å
CP7HP72sing1.09Å1.11Å
NP8CP9sing1.35Å1.34Å
NP8HP8sing0.97Å1.02Å
CP9OP9doub1.21Å1.23Å
CP9CPAsing1.51Å1.52Å
CPAOPAsing1.43Å1.45Å
CPACPBsing1.53Å1.56Å
CPAHPAsing1.09Å1.11Å
OPAHPA0sing0.97Å0.95Å
CPBCPDsing1.53Å1.53Å
CPBCPEsing1.53Å1.53Å
CPBCPCsing1.53Å1.54Å
CPDHPD1sing1.09Å1.11Å
CPDHPD2sing1.09Å1.12Å
CPDHPD3sing1.09Å1.11Å
CPEHPE1sing1.09Å1.11Å
CPEHPE2sing1.09Å1.11Å
CPEHPE3sing1.09Å1.11Å
CPCOA6sing1.45Å1.45Å
CPCHPC1sing1.09Å1.12Å
CPCHPC2sing1.09Å1.12Å
OA6CT1sing1.34Å1.44Å
CT1OT1doub1.21Å1.24Å
CT1CT2sing1.51Å1.57Å
CT2CT3sing1.53Å1.52Å
CT2CT4sing1.53Å1.53Å
CT2CT5sing1.53Å1.53Å
CT3HT31sing1.09Å1.12Å
CT3HT32sing1.09Å1.11Å
CT3HT33sing1.09Å1.11Å
CT4HT41sing1.09Å1.12Å
CT4HT42sing1.09Å1.11Å
CT4HT43sing1.09Å1.11Å
CT5HT51sing1.09Å1.12Å
CT5HT52sing1.09Å1.11Å
CT5HT53sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2H21119.4°109.5°
C1C2H22108.7°109.5°
C1C2H23108.7°109.5°
C2C1O1119.4°120.0°
C2C1OP1118.7°120.0°
H21C2H22108.6°109.5°
H21C2H23108.6°109.5°
H22C2H23101.3°109.5°
O1C1OP1121.9°120.0°
C1OP1CP2113.8°120.0°
OP1CP2CP3114.6°109.5°
OP1CP2HP21110.3°109.5°
OP1CP2HP22110.3°109.5°
CP3CP2HP21110.3°109.5°
CP3CP2HP22110.4°109.5°
CP2CP3NP4109.7°109.5°
CP2CP3HP31112.1°109.5°
CP2CP3HP32112.1°109.5°
HP21CP2HP2299.9°109.4°
NP4CP3HP31112.2°109.4°
NP4CP3HP32112.1°109.5°
CP3NP4CP5123.7°120.0°
CP3NP4HP4123.1°120.0°
HP31CP3HP3298.3°109.5°
CP5NP4HP4113.2°120.0°
NP4CP5OP5125.0°120.0°
NP4CP5CP6114.4°120.0°
OP5CP5CP6120.5°120.0°
CP5CP6CP7113.3°109.5°
CP5CP6HP61110.8°109.5°
CP5CP6HP62110.8°109.5°
CP7CP6HP61110.8°109.4°
CP7CP6HP62110.8°109.5°
CP6CP7NP8104.8°109.5°
CP6CP7HP71113.9°109.4°
CP6CP7HP72113.9°109.5°
HP61CP6HP6299.5°109.5°
NP8CP7HP71114.0°109.4°
NP8CP7HP72114.0°109.6°
CP7NP8CP9128.3°120.0°
CP7NP8HP8120.5°120.0°
HP71CP7HP7296.5°109.5°
CP9NP8HP8111.1°120.0°
NP8CP9OP9125.9°120.0°
NP8CP9CPA112.0°120.0°
OP9CP9CPA122.0°120.0°
CP9CPAOPA107.5°109.5°
CP9CPACPB115.0°109.4°
CP9CPAHPA107.3°109.5°
OPACPACPB110.1°109.4°
OPACPAHPA112.5°109.5°
CPAOPAHPA0107.5°106.8°
CPBCPAHPA104.6°109.5°
CPACPBCPD109.5°109.4°
CPACPBCPE108.4°109.5°
CPACPBCPC110.9°109.5°
CPDCPBCPE108.9°109.5°
CPDCPBCPC109.0°109.5°
CPBCPDHPD1109.5°109.5°
CPBCPDHPD2112.2°109.5°
CPBCPDHPD3112.2°109.5°
CPECPBCPC110.1°109.5°
CPBCPEHPE1108.4°109.5°
CPBCPEHPE2112.6°109.5°
CPBCPEHPE3112.6°109.5°
CPBCPCOA6115.2°109.5°
CPBCPCHPC1110.2°109.4°
CPBCPCHPC2110.2°109.5°
HPD1CPDHPD2112.2°109.4°
HPD1CPDHPD3112.3°109.4°
HPD2CPDHPD398.2°109.6°
HPE1CPEHPE2112.7°109.5°
HPE1CPEHPE3112.6°109.4°
HPE2CPEHPE397.9°109.5°
OA6CPCHPC1110.1°109.4°
OA6CPCHPC2110.1°109.5°
CPCOA6CT1112.1°120.0°
HPC1CPCHPC2100.1°109.5°
OA6CT1OT1115.7°120.0°
OA6CT1CT2124.1°120.0°
OT1CT1CT2120.2°120.0°
CT1CT2CT3111.0°109.5°
CT1CT2CT4107.2°109.5°
CT1CT2CT5115.6°109.4°
CT3CT2CT4108.6°109.5°
CT3CT2CT5106.3°109.4°
CT2CT3HT31111.0°109.5°
CT2CT3HT32111.7°109.5°
CT2CT3HT33111.7°109.4°
CT4CT2CT5107.9°109.5°
CT2CT4HT41107.2°109.5°
CT2CT4HT42113.1°109.5°
CT2CT4HT43113.1°109.5°
CT2CT5HT51115.6°109.4°
CT2CT5HT52110.0°109.5°
CT2CT5HT53110.0°109.4°
HT31CT3HT32111.6°109.5°
HT31CT3HT33111.6°109.4°
HT32CT3HT3398.8°109.4°
HT41CT4HT42113.0°109.5°
HT41CT4HT43113.1°109.5°
HT42CT4HT4397.4°109.4°
HT51CT5HT52109.9°109.5°
HT51CT5HT53110.0°109.5°
HT52CT5HT53100.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2H21H22125.3°120.0°
C1C2H21H23125.3°120.0°
C1C2H22H23114.4°120.0°
C2C1O1OP1179.8°180.0°
C2C1OP1CP2145.7°180.0°
H21C2H22H23114.2°120.0°
H21C2C1O1180.0°0.0°
H21C2C1OP10.2°180.0°
H22C2C1O154.7°120.0°
H22C2C1OP1125.5°60.0°
H23C2C1O154.8°120.0°
H23C2C1OP1125.0°60.0°
O1C1OP1CP234.6°0.0°
C1OP1CP2CP378.0°180.0°
C1OP1CP2HP2147.2°60.0°
C1OP1CP2HP22156.7°60.0°
OP1CP2CP3HP21125.2°120.0°
OP1CP2CP3HP22125.2°120.0°
OP1CP2HP21HP22116.1°120.0°
OP1CP2CP3NP4148.3°60.0°
OP1CP2CP3HP3186.4°180.0°
OP1CP2CP3HP3223.1°60.0°
CP3CP2HP21HP22116.2°120.0°
CP2CP3NP4HP31125.3°120.0°
CP2CP3NP4HP32125.2°120.0°
CP2CP3HP31HP32118.0°120.0°
CP2CP3NP4CP5102.1°180.0°
CP2CP3NP4HP477.9°0.0°
HP21CP2CP3NP423.1°60.0°
HP21CP2CP3HP31148.4°60.0°
HP21CP2CP3HP32102.2°180.0°
HP22CP2CP3NP486.4°180.0°
HP22CP2CP3HP3138.9°60.0°
HP22CP2CP3HP32148.3°60.1°
NP4CP3HP31HP32118.1°120.0°
CP3NP4CP5HP4180.0°179.9°
CP3NP4CP5OP51.1°0.0°
CP3NP4CP5CP6179.1°180.0°
HP31CP3NP4CP5132.6°60.0°
HP31CP3NP4HP447.4°120.0°
HP32CP3NP4CP523.1°60.0°
HP32CP3NP4HP4156.9°120.0°
NP4CP5OP5CP6177.9°180.0°
NP4CP5CP6CP774.1°180.0°
NP4CP5CP6HP61160.6°60.0°
NP4CP5CP6HP6251.2°60.0°
HP4NP4CP5OP5178.9°180.0°
HP4NP4CP5CP60.8°0.0°
OP5CP5CP6CP7107.8°0.0°
OP5CP5CP6HP6117.5°120.0°
OP5CP5CP6HP62126.9°120.0°
CP5CP6CP7HP61125.2°120.0°
CP5CP6CP7HP62125.2°120.1°
CP5CP6HP61HP62116.6°120.0°
CP5CP6CP7NP8177.9°180.0°
CP5CP6CP7HP7156.8°60.0°
CP5CP6CP7HP7252.7°59.9°
CP7CP6HP61HP62116.7°120.0°
CP6CP7NP8HP71125.3°119.9°
CP6CP7NP8HP72125.2°120.1°
CP6CP7HP71HP72119.8°120.0°
CP6CP7NP8CP9177.9°180.0°
CP6CP7NP8HP82.2°0.0°
HP61CP6CP7NP852.7°60.1°
HP61CP6CP7HP71178.0°180.0°
HP61CP6CP7HP7272.6°60.0°
HP62CP6CP7NP856.8°59.9°
HP62CP6CP7HP7168.5°60.0°
HP62CP6CP7HP72177.9°NaN°
NP8CP7HP71HP72119.9°120.1°
CP7NP8CP9HP8180.0°180.0°
CP7NP8CP9OP90.3°0.9°
CP7NP8CP9CPA179.8°179.2°
HP71CP7NP8CP952.6°60.1°
HP71CP7NP8HP8127.4°120.0°
HP72CP7NP8CP956.9°59.9°
HP72CP7NP8HP8123.1°120.0°
NP8CP9OP9CPA179.5°179.9°
NP8CP9CPAOPA30.7°165.8°
NP8CP9CPACPB92.2°74.2°
NP8CP9CPAHPA151.9°45.8°
HP8NP8CP9OP9179.7°179.1°
HP8NP8CP9CPA0.2°0.8°
OP9CP9CPAOPA148.8°14.1°
OP9CP9CPACPB88.3°105.8°
OP9CP9CPAHPA27.6°134.2°
CP9CPAOPACPB125.9°119.9°
CP9CPAOPAHPA117.9°120.1°
CP9CPACPBHPA117.4°120.0°
CP9CPAOPAHPA0180.0°60.0°
CP9CPACPBCPD149.3°65.0°
CP9CPACPBCPE92.0°55.0°
CP9CPACPBCPC29.0°175.1°
OPACPACPBHPA121.1°120.0°
OPACPACPBCPD27.7°175.0°
OPACPACPBCPE146.4°65.0°
OPACPACPBCPC92.6°55.1°
CPBCPAOPAHPA054.1°59.9°
CPACPBCPDCPE118.4°120.0°
CPACPBCPDCPC121.5°120.0°
CPACPBCPECPC121.5°120.0°
CPACPBCPDHPD1180.0°52.6°
CPACPBCPDHPD254.8°67.4°
CPACPBCPDHPD354.7°172.5°
CPACPBCPEHPE1180.0°59.9°
CPACPBCPEHPE254.7°180.0°
CPACPBCPEHPE354.7°60.0°
CPACPBCPCOA6167.6°180.0°
CPACPBCPCHPC167.2°60.1°
CPACPBCPCHPC242.3°60.0°
HPACPAOPAHPA062.1°179.9°
HPACPACPBCPD93.4°55.1°
HPACPACPBCPE25.3°175.1°
HPACPACPBCPC146.3°64.9°
CPDCPBCPECPC119.4°120.0°
CPBCPDHPD1HPD2125.2°120.0°
CPBCPDHPD1HPD3125.3°119.9°
CPBCPDHPD2HPD3118.1°120.1°
CPDCPBCPEHPE160.9°179.9°
CPDCPBCPEHPE264.4°60.0°
CPDCPBCPEHPE3173.8°60.0°
CPDCPBCPCOA647.0°60.1°
CPDCPBCPCHPC1172.2°180.0°
CPDCPBCPCHPC278.3°60.0°
CPECPBCPDHPD161.6°172.7°
CPECPBCPDHPD2173.1°52.7°
CPECPBCPDHPD363.7°67.5°
CPBCPEHPE1HPE2125.3°120.1°
CPBCPEHPE1HPE3125.2°120.0°
CPBCPEHPE2HPE3118.5°120.0°
CPECPBCPCOA672.4°59.9°
CPECPBCPCHPC152.8°60.0°
CPECPBCPCHPC2162.3°180.0°
CPCCPBCPDHPD158.5°67.3°
CPCCPBCPDHPD266.7°172.7°
CPCCPBCPDHPD3176.2°52.5°
CPCCPBCPEHPE158.5°60.1°
CPCCPBCPEHPE2176.2°60.0°
CPCCPBCPEHPE366.7°180.0°
CPBCPCOA6HPC1125.3°119.9°
CPBCPCOA6HPC2125.3°120.0°
CPBCPCHPC1HPC2116.0°120.0°
CPBCPCOA6CT1125.4°180.0°
HPD1CPDHPD2HPD3118.2°119.9°
HPE1CPEHPE2HPE3118.6°119.9°
OA6CPCHPC1HPC2115.9°120.1°
CPCOA6CT1OT1123.4°0.1°
CPCOA6CT1CT257.0°179.9°
HPC1CPCOA6CT1109.3°60.1°
HPC2CPCOA6CT10.1°60.0°
OA6CT1OT1CT2179.6°180.0°
OA6CT1CT2CT3118.0°180.0°
OA6CT1CT2CT4123.5°60.0°
OA6CT1CT2CT53.2°60.0°
OT1CT1CT2CT362.4°0.1°
OT1CT1CT2CT456.1°120.0°
OT1CT1CT2CT5176.4°120.0°
CT1CT2CT3CT4117.6°120.1°
CT1CT2CT3CT5126.5°119.9°
CT1CT2CT4CT5125.1°120.0°
CT1CT2CT3HT31180.0°180.0°
CT1CT2CT3HT3254.8°59.9°
CT1CT2CT3HT3354.8°60.1°
CT1CT2CT4HT41180.0°60.0°
CT1CT2CT4HT4254.8°60.0°
CT1CT2CT4HT4354.7°179.9°
CT1CT2CT5HT51180.0°60.0°
CT1CT2CT5HT5254.8°180.0°
CT1CT2CT5HT5354.8°60.0°
CT3CT2CT4CT5114.9°119.9°
CT2CT3HT31HT32125.3°120.1°
CT2CT3HT31HT33125.3°119.9°
CT2CT3HT32HT33117.6°119.9°
CT3CT2CT4HT4160.0°60.1°
CT3CT2CT4HT4265.2°179.9°
CT3CT2CT4HT43174.7°60.0°
CT3CT2CT5HT5156.3°60.0°
CT3CT2CT5HT52178.5°60.0°
CT3CT2CT5HT5368.9°180.0°
CT4CT2CT3HT3162.4°59.9°
CT4CT2CT3HT32172.4°180.0°
CT4CT2CT3HT3362.8°60.0°
CT2CT4HT41HT42125.3°120.0°
CT2CT4HT41HT43125.3°120.0°
CT2CT4HT42HT43119.0°120.0°
CT4CT2CT5HT5160.1°180.0°
CT4CT2CT5HT5265.1°60.0°
CT4CT2CT5HT53174.7°60.0°
CT5CT2CT3HT3153.5°60.0°
CT5CT2CT3HT3271.8°60.0°
CT5CT2CT3HT33178.7°180.0°
CT5CT2CT4HT4154.9°180.0°
CT5CT2CT4HT42179.9°60.0°
CT5CT2CT4HT4370.4°60.0°
CT2CT5HT51HT52125.2°120.0°
CT2CT5HT51HT53125.2°119.9°
CT2CT5HT52HT53115.8°120.0°
HT31CT3HT32HT33117.5°119.9°
HT41CT4HT42HT43119.0°120.0°
HT51CT5HT52HT53115.8°120.0°

221051

PDB entries from 2024-06-12

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