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PVC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CP1OPdoub1.21Å1.25Å
CP1CP2sing1.51Å1.51Å
CP1O6sing1.34Å1.42Å
CP2CP3sing1.53Å1.51Å
CP2HP21sing1.09Å1.10Å
CP2HP22sing1.09Å1.10Å
CP3CP4sing1.53Å1.49Å
CP3HP31sing1.09Å1.10Å
CP3HP32sing1.09Å1.10Å
CP4CP5sing1.53Å1.53Å
CP4HP41sing1.09Å1.10Å
CP4HP42sing1.09Å1.10Å
CP5CP6sing1.53Å1.52Å
CP5HP51sing1.09Å1.10Å
CP5HP52sing1.09Å1.10Å
CP6CP7sing1.53Å1.52Å
CP6HP61sing1.09Å1.10Å
CP6HP62sing1.09Å1.10Å
CP7CP8sing1.53Å1.52Å
CP7HP71sing1.09Å1.10Å
CP7HP72sing1.09Å1.10Å
CP8CP9sing1.53Å1.51Å
CP8HP81sing1.09Å1.10Å
CP8HP82sing1.09Å1.10Å
CP9CPAsing1.53Å1.51Å
CP9HP91sing1.09Å1.10Å
CP9HP92sing1.09Å1.10Å
CPACPBsing1.53Å1.51Å
CPAHPA1sing1.09Å1.10Å
CPAHPA2sing1.09Å1.10Å
CPBCPCsing1.53Å1.52Å
CPBHPB1sing1.09Å1.10Å
CPBHPB2sing1.09Å1.10Å
CPCCPDsing1.53Å1.52Å
CPCHPC1sing1.09Å1.10Å
CPCHPC2sing1.09Å1.10Å
CPDCPEsing1.53Å46.06Å
CPDHPD1sing1.09Å1.10Å
CPDHPD2sing1.09Å1.10Å
CC6CC5sing1.53Å1.53Å
CC6O6sing1.45Å1.44Å
CC6HC61sing1.09Å1.10Å
CC6HC62sing1.09Å1.10Å
CC5CC4sing1.53Å1.54Å
CC5O5sing1.43Å1.43Å
CC5HC5sing1.09Å1.10Å
CC4CC3sing1.51Å1.55Å
CC4O4sing1.43Å1.45Å
CC4HC4sing1.09Å1.10Å
CC3CC2doub1.35Å1.39Å
CC3O3sing1.35Å1.30Å
CC2CC1sing1.46Å1.54Å
CC2O2sing1.36Å1.30Å
CC1OC1doub1.22Å1.23Å
CC1OC2sing1.35Å1.25Å
O2H2sing0.97Å0.95Å
O3H3sing0.97Å0.95Å
O4H4sing0.97Å0.95Å
O5H5sing0.97Å0.95Å
OC2HC2sing0.97Å0.95Å
CPECPFsing1.53Å0.00Å
CPEHPE1sing1.09Å0.00Å
CPEHPE2sing1.09Å0.00Å
CPFCPGsing1.53Å0.00Å
CPFHPF1sing1.09Å0.00Å
CPFHPF2sing1.09Å0.00Å
CPGHPG1sing1.09Å0.00Å
CPGHPG2sing1.09Å0.00Å
CPGHPG3sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OPCP1CP2123.7°120.0°
OPCP1O6126.5°120.0°
CP2CP1O6109.7°120.0°
CP1CP2CP3113.8°109.5°
CP1CP2HP21108.0°109.4°
CP1CP2HP22107.1°109.5°
CP1O6CC6112.8°117.0°
CP3CP2HP21108.1°109.5°
CP3CP2HP22107.1°109.5°
CP2CP3CP4109.0°109.5°
CP2CP3HP31109.6°109.5°
CP2CP3HP32109.8°109.5°
HP21CP2HP22112.9°109.5°
CP4CP3HP31109.7°109.5°
CP4CP3HP32109.7°109.5°
CP3CP4CP5110.4°109.5°
CP3CP4HP41109.2°109.5°
CP3CP4HP42109.0°109.5°
HP31CP3HP32109.1°109.4°
CP5CP4HP41109.2°109.5°
CP5CP4HP42109.0°109.5°
CP4CP5CP6110.5°109.5°
CP4CP5HP51109.2°109.5°
CP4CP5HP52108.9°109.5°
HP41CP4HP42110.2°109.5°
CP6CP5HP51109.1°109.4°
CP6CP5HP52108.9°109.5°
CP5CP6CP7113.0°109.5°
CP5CP6HP61108.3°109.5°
CP5CP6HP62107.5°109.5°
HP51CP5HP52110.2°109.5°
CP7CP6HP61108.3°109.5°
CP7CP6HP62107.5°109.5°
CP6CP7CP8110.8°109.5°
CP6CP7HP71109.0°109.5°
CP6CP7HP72108.8°109.5°
HP61CP6HP62112.3°109.5°
CP8CP7HP71109.0°109.5°
CP8CP7HP72108.7°109.5°
CP7CP8CP9109.8°109.4°
CP7CP8HP81109.3°109.5°
CP7CP8HP82109.3°109.5°
HP71CP7HP72110.5°109.5°
CP9CP8HP81109.4°109.4°
CP9CP8HP82109.3°109.5°
CP8CP9CPA110.7°109.5°
CP8CP9HP91109.1°109.4°
CP8CP9HP92108.8°109.5°
HP81CP8HP82109.7°109.5°
CPACP9HP91109.1°109.4°
CPACP9HP92108.8°109.5°
CP9CPACPB111.7°109.4°
CP9CPAHPA1108.8°109.4°
CP9CPAHPA2108.2°109.5°
HP91CP9HP92110.4°109.5°
CPBCPAHPA1108.7°109.5°
CPBCPAHPA2108.3°109.5°
CPACPBCPC109.6°109.4°
CPACPBHPB1109.4°109.5°
CPACPBHPB2109.4°109.5°
HPA1CPAHPA2111.2°109.5°
CPCCPBHPB1109.4°109.4°
CPCCPBHPB2109.4°109.5°
CPBCPCCPD112.0°109.5°
CPBCPCHPC1108.6°109.4°
CPBCPCHPC2108.1°109.5°
HPB1CPBHPB2109.6°109.5°
CPDCPCHPC1108.7°109.5°
CPDCPCHPC2108.1°109.5°
CPCCPDCPE75.7°109.4°
CPCCPDHPD1122.7°109.4°
CPCCPDHPD2127.7°109.5°
HPC1CPCHPC2111.5°109.5°
CPECPDHPD1122.7°109.5°
CPECPDHPD2127.7°109.5°
CPDCPECPF90.0°109.4°
CPDCPEHPE190.0°109.5°
CPDCPEHPE290.0°109.5°
HPD1CPDHPD286.0°109.5°
CC5CC6O6109.1°109.5°
CC5CC6HC61109.6°109.5°
CC5CC6HC62109.6°109.5°
CC6CC5CC4110.4°109.5°
CC6CC5O5110.8°109.5°
CC6CC5HC5107.7°109.5°
O6CC6HC61109.6°109.5°
O6CC6HC62109.7°109.4°
HC61CC6HC62109.2°109.5°
CC4CC5O5108.9°109.5°
CC4CC5HC5109.7°109.5°
CC5CC4CC3117.0°109.5°
CC5CC4O4109.7°109.5°
CC5CC4HC4104.1°109.4°
O5CC5HC5109.3°109.4°
CC5O5H5109.5°114.0°
CC3CC4O4110.0°109.5°
CC3CC4HC4103.7°109.4°
CC4CC3CC2120.3°120.0°
CC4CC3O3113.8°120.0°
O4CC4HC4112.0°109.5°
CC4O4H4109.5°114.0°
CC2CC3O3125.8°120.0°
CC3CC2CC1118.9°120.0°
CC3CC2O2125.6°120.0°
CC3O3H3109.5°114.0°
CC1CC2O2115.5°120.0°
CC2CC1OC1118.0°120.0°
CC2CC1OC2120.1°120.0°
CC2O2H2109.5°114.0°
OC1CC1OC2121.8°120.0°
CC1OC2HC2109.5°114.0°
CPFCPEHPE190.0°109.4°
CPFCPEHPE290.0°109.5°
CPECPFCPG90.0°109.5°
CPECPFHPF190.0°109.5°
CPECPFHPF290.0°109.5°
HPE1CPEHPE290.0°109.5°
CPGCPFHPF190.0°109.4°
CPGCPFHPF290.0°109.5°
CPFCPGHPG190.0°109.4°
CPFCPGHPG290.0°109.4°
CPFCPGHPG390.0°109.5°
HPF1CPFHPF290.0°109.5°
HPG1CPGHPG290.0°109.5°
HPG1CPGHPG390.0°109.5°
HPG2CPGHPG390.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OPCP1CP2O6177.4°179.8°
OPCP1CP2CP321.0°0.0°
OPCP1CP2HP2198.9°120.1°
OPCP1CP2HP22139.2°119.9°
OPCP1O6CC652.6°0.1°
CP1CP2CP3HP21120.0°120.0°
CP1CP2CP3HP22118.1°120.0°
CP1CP2HP21HP22118.2°120.0°
CP1CP2CP3CP4154.5°180.0°
CP1CP2CP3HP3185.5°60.0°
CP1CP2CP3HP3234.3°60.0°
CP2CP1O6CC6130.1°179.7°
O6CP1CP2CP3161.6°179.8°
O6CP1CP2HP2178.4°59.7°
O6CP1CP2HP2243.5°60.3°
CP1O6CC6CC5165.0°180.0°
CP1O6CC6HC6145.0°60.0°
CP1O6CC6HC6274.8°60.0°
CP3CP2HP21HP22118.3°120.0°
CP2CP3CP4HP31120.0°120.0°
CP2CP3CP4HP32120.2°120.0°
CP2CP3HP31HP32120.2°120.0°
CP2CP3CP4CP561.1°180.0°
CP2CP3CP4HP4158.9°60.0°
CP2CP3CP4HP42179.3°60.0°
HP21CP2CP3CP434.5°60.0°
HP21CP2CP3HP31154.5°179.9°
HP21CP2CP3HP3285.7°60.0°
HP22CP2CP3CP487.4°60.0°
HP22CP2CP3HP3132.6°60.0°
HP22CP2CP3HP32152.4°180.0°
CP4CP3HP31HP32120.2°120.0°
CP3CP4CP5HP41120.0°120.0°
CP3CP4CP5HP42119.6°120.0°
CP3CP4HP41HP42119.6°120.0°
CP3CP4CP5CP6161.0°180.0°
CP3CP4CP5HP5141.1°60.0°
CP3CP4CP5HP5279.3°60.0°
HP31CP3CP4CP5178.9°60.0°
HP31CP3CP4HP4161.1°NaN°
HP31CP3CP4HP4259.3°60.0°
HP32CP3CP4CP559.1°60.0°
HP32CP3CP4HP41179.1°60.0°
HP32CP3CP4HP4260.5°180.0°
CP5CP4HP41HP42119.6°120.0°
CP4CP5CP6HP51120.0°120.0°
CP4CP5CP6HP52119.6°120.0°
CP4CP5HP51HP52119.6°120.0°
CP4CP5CP6CP7153.5°NaN°
CP4CP5CP6HP6133.5°59.9°
CP4CP5CP6HP6288.1°60.0°
HP41CP4CP5CP678.9°60.0°
HP41CP4CP5HP51161.1°179.9°
HP41CP4CP5HP5240.7°60.0°
HP42CP4CP5CP641.4°60.0°
HP42CP4CP5HP5178.5°60.0°
HP42CP4CP5HP52161.1°180.0°
CP6CP5HP51HP52119.6°120.0°
CP5CP6CP7HP61120.0°120.0°
CP5CP6CP7HP62118.5°120.0°
CP5CP6HP61HP62118.6°120.0°
CP5CP6CP7CP8126.0°180.0°
CP5CP6CP7HP716.0°60.0°
CP5CP6CP7HP72114.5°60.0°
HP51CP5CP6CP786.5°60.0°
HP51CP5CP6HP61153.5°180.0°
HP51CP5CP6HP6232.0°60.0°
HP52CP5CP6CP733.9°60.0°
HP52CP5CP6HP6186.1°60.0°
HP52CP5CP6HP62152.4°180.0°
CP7CP6HP61HP62118.5°120.0°
CP6CP7CP8HP71120.0°120.0°
CP6CP7CP8HP72119.5°120.0°
CP6CP7HP71HP72119.5°120.0°
CP6CP7CP8CP963.1°180.0°
CP6CP7CP8HP81176.9°60.0°
CP6CP7CP8HP8256.8°60.0°
HP61CP6CP7CP8114.0°60.0°
HP61CP6CP7HP71126.0°180.0°
HP61CP6CP7HP725.5°60.0°
HP62CP6CP7CP87.6°60.0°
HP62CP6CP7HP71112.4°60.0°
HP62CP6CP7HP72127.0°180.0°
CP8CP7HP71HP72119.5°120.0°
CP7CP8CP9HP81120.0°120.0°
CP7CP8CP9HP82119.9°120.0°
CP7CP8HP81HP82119.9°120.0°
CP7CP8CP9CPA116.2°180.0°
CP7CP8CP9HP913.8°60.0°
CP7CP8CP9HP92124.3°60.0°
HP71CP7CP8CP956.9°60.0°
HP71CP7CP8HP8163.1°180.0°
HP71CP7CP8HP82176.8°60.0°
HP72CP7CP8CP9177.5°60.0°
HP72CP7CP8HP8157.5°60.0°
HP72CP7CP8HP8262.7°180.0°
CP9CP8HP81HP82119.9°120.0°
CP8CP9CPAHP91120.0°119.9°
CP8CP9CPAHP92119.5°120.0°
CP8CP9HP91HP92119.5°120.0°
CP8CP9CPACPB153.7°180.0°
CP8CP9CPAHPA186.3°60.0°
CP8CP9CPAHPA234.7°59.9°
HP81CP8CP9CPA123.8°60.0°
HP81CP8CP9HP91116.2°179.9°
HP81CP8CP9HP924.3°60.0°
HP82CP8CP9CPA3.7°60.0°
HP82CP8CP9HP91123.7°60.0°
HP82CP8CP9HP92115.8°180.0°
CPACP9HP91HP92119.5°120.1°
CP9CPACPBHPA1120.0°120.0°
CP9CPACPBHPA2119.1°120.0°
CP9CPAHPA1HPA2119.1°119.9°
CP9CPACPBCPC173.7°180.0°
CP9CPACPBHPB153.8°60.1°
CP9CPACPBHPB266.3°60.0°
HP91CP9CPACPB33.7°60.1°
HP91CP9CPAHPA1153.7°179.9°
HP91CP9CPAHPA285.3°60.0°
HP92CP9CPACPB86.8°60.0°
HP92CP9CPAHPA133.2°60.0°
HP92CP9CPAHPA2154.2°180.0°
CPBCPAHPA1HPA2119.1°120.1°
CPACPBCPCHPB1120.0°119.9°
CPACPBCPCHPB2119.9°120.0°
CPACPBHPB1HPB2120.0°120.1°
CPACPBCPCCPD164.8°180.0°
CPACPBCPCHPC175.2°60.1°
CPACPBCPCHPC245.9°60.0°
HPA1CPACPBCPC66.2°60.0°
HPA1CPACPBHPB1173.8°180.0°
HPA1CPACPBHPB253.7°60.0°
HPA2CPACPBCPC54.7°60.0°
HPA2CPACPBHPB165.3°59.9°
HPA2CPACPBHPB2174.6°180.0°
CPCCPBHPB1HPB2119.9°120.0°
CPBCPCCPDHPC1120.0°119.9°
CPBCPCCPDHPC2118.9°120.0°
CPBCPCHPC1HPC2119.0°120.0°
CPBCPCCPDCPE36.0°180.0°
CPBCPCCPDHPD184.0°60.0°
CPBCPCCPDHPD2162.9°60.0°
HPB1CPBCPCCPD44.8°60.0°
HPB1CPBCPCHPC1164.8°NaN°
HPB1CPBCPCHPC274.1°60.0°
HPB2CPBCPCCPD75.3°60.0°
HPB2CPBCPCHPC144.7°60.0°
HPB2CPBCPCHPC2165.8°180.0°
CPDCPCHPC1HPC2119.0°120.0°
CPCCPDCPEHPD1120.0°119.9°
CPCCPDCPEHPD2127.0°120.0°
CPCCPDHPD1HPD2133.1°120.0°
CPCCPDCPECPF90.0°180.0°
CPCCPDCPEHPE190.0°60.1°
CPCCPDCPEHPE290.0°60.0°
HPC1CPCCPDCPE156.0°60.1°
HPC1CPCCPDHPD136.0°180.0°
HPC1CPCCPDHPD277.1°60.0°
HPC2CPCCPDCPE82.9°60.0°
HPC2CPCCPDHPD1157.1°60.0°
HPC2CPCCPDHPD244.0°180.0°
CPECPDHPD1HPD2133.1°120.1°
CPDCPECPFHPE190.0°119.9°
CPDCPECPFHPE290.0°120.0°
CPDCPEHPE1HPE290.0°120.1°
CPDCPECPFCPG90.0°180.0°
CPDCPECPFHPF190.0°60.0°
CPDCPECPFHPF290.0°60.0°
HPD1CPDCPECPF90.0°60.1°
HPD1CPDCPEHPE190.0°180.0°
HPD1CPDCPEHPE290.0°59.9°
HPD2CPDCPECPF90.0°60.0°
HPD2CPDCPEHPE190.0°59.9°
HPD2CPDCPEHPE290.0°180.0°
CC5CC6O6HC61120.0°120.0°
CC5CC6O6HC62120.1°120.0°
CC5CC6HC61HC62120.1°120.0°
CC6CC5CC4O5121.9°120.0°
CC6CC5CC4HC5118.6°120.1°
CC6CC5O5HC5118.5°120.0°
CC6CC5CC4CC3118.2°175.0°
CC6CC5CC4O4115.7°55.0°
CC6CC5CC4HC44.4°65.0°
CC6CC5O5H5161.7°60.0°
O6CC6HC61HC62120.1°120.0°
O6CC6CC5CC4155.7°175.0°
O6CC6CC5O583.5°65.0°
O6CC6CC5HC535.9°55.0°
HC61CC6CC5CC484.3°65.0°
HC61CC6CC5O536.5°55.0°
HC61CC6CC5HC5156.0°175.0°
HC62CC6CC5CC435.6°55.1°
HC62CC6CC5O5156.3°175.0°
HC62CC6CC5HC584.2°65.0°
CC4CC5O5HC5119.8°120.0°
CC5CC4CC3O4126.0°120.0°
CC5CC4CC3HC4114.0°120.0°
CC5CC4O4HC4115.1°120.0°
CC5CC4CC3CC217.2°115.1°
CC5CC4CC3O3165.6°64.9°
CC5CC4O4H4128.4°60.0°
CC4CC5O5H576.7°60.0°
O5CC5CC4CC3119.9°55.0°
O5CC5CC4O46.2°65.0°
O5CC5CC4HC4126.3°175.0°
HC5CC5CC4CC30.4°64.9°
HC5CC5CC4O4125.7°175.0°
HC5CC5CC4HC4114.2°55.0°
HC5CC5O5H543.1°180.0°
CC3CC4O4HC4114.8°120.0°
CC4CC3CC2O3176.8°179.9°
CC4CC3CC2CC10.5°5.4°
CC4CC3CC2O2178.6°174.6°
CC4CC3O3H381.6°180.0°
CC3CC4O4H4101.6°60.0°
O4CC4CC3CC2143.2°124.9°
O4CC4CC3O339.6°55.2°
HC4CC4CC3CC296.8°4.9°
HC4CC4CC3O380.4°175.2°
HC4CC4O4H413.3°180.0°
CC3CC2CC1O2179.2°180.0°
CC3CC2CC1OC199.6°96.1°
CC3CC2CC1OC284.6°83.9°
CC3CC2O2H280.1°180.0°
CC2CC3O3H395.4°0.1°
O3CC3CC2CC1176.4°174.6°
O3CC3CC2O24.5°5.3°
CC2CC1OC1OC2175.7°180.0°
CC1CC2O2H2100.8°0.0°
CC2CC1OC2HC2175.7°180.0°
O2CC2CC1OC181.2°83.9°
O2CC2CC1OC294.6°96.1°
OC1CC1OC2HC20.0°0.0°
CPFCPEHPE1HPE290.0°120.0°
CPECPFCPGHPF190.0°120.0°
CPECPFCPGHPF290.0°120.0°
CPECPFHPF1HPF290.0°120.0°
CPECPFCPGHPG190.0°180.0°
CPECPFCPGHPG290.0°60.1°
CPECPFCPGHPG390.0°60.0°
HPE1CPECPFCPG90.0°60.1°
HPE1CPECPFHPF190.0°180.0°
HPE1CPECPFHPF290.0°60.0°
HPE2CPECPFCPG90.0°60.0°
HPE2CPECPFHPF190.0°60.0°
HPE2CPECPFHPF290.0°180.0°
CPGCPFHPF1HPF290.0°120.0°
CPFCPGHPG1HPG290.0°119.9°
CPFCPGHPG1HPG390.0°120.0°
CPFCPGHPG2HPG390.0°120.0°
HPF1CPFCPGHPG190.0°60.0°
HPF1CPFCPGHPG290.0°179.9°
HPF1CPFCPGHPG390.0°60.0°
HPF2CPFCPGHPG190.0°60.0°
HPF2CPFCPGHPG290.0°60.0°
HPF2CPFCPGHPG390.0°180.0°
HPG1CPGHPG2HPG390.0°120.1°

222415

PDB entries from 2024-07-10

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