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V3H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C2C3sing1.53Å1.50Å
C3C4sing1.53Å1.49Å
C4Osing1.45Å1.45Å
CAACAVsing1.51Å1.49Å
OCsing1.34Å1.35Å
OXTCdoub1.21Å1.21Å
CCAsing1.51Å1.52Å
CAVOAQsing1.34Å1.34ÅAromatic
CAVCAYdoub1.37Å1.36ÅAromatic
OAFCAUdoub1.22Å1.23Å
OAQNANsing1.21Å1.42ÅAromatic
CAUCAYsing1.47Å1.45Å
CAUNsing1.35Å1.33Å
CAYCAXsing1.48Å1.43ÅAromatic
CANsing1.47Å1.46Å
CACBsing1.53Å1.54Å
NANCAXdoub1.31Å1.31ÅAromatic
CAXCAWsing1.48Å1.47Å
CBNAPsing1.49Å1.48Å
CBSARsing1.84Å1.82Å
CAMCAWdoub1.39Å1.39ÅAromatic
CAMCAKsing1.38Å1.38ÅAromatic
CAWCALsing1.39Å1.39ÅAromatic
NAPCBBsing1.47Å1.48Å
SARCBCsing1.84Å1.85Å
CAKCAIdoub1.38Å1.38ÅAromatic
CALCAJdoub1.38Å1.38ÅAromatic
CAICAJsing1.38Å1.38ÅAromatic
CBBCBCsing1.54Å1.57Å
CBBCATsing1.51Å1.55Å
OAECATdoub1.21Å1.25Å
CBCCACsing1.53Å1.52Å
CBCCABsing1.53Å1.51Å
CATOAHsing1.34Å1.23Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C4H9sing1.09Å1.10Å
CAHAsing1.09Å1.10Å
NHNsing0.97Å1.00Å
CALHALsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CAAHAABsing1.09Å1.10Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CBHBsing1.09Å1.10Å
NAPHNAQsing1.01Å1.00Å
NAPHNAPsing1.01Å1.00Å
CBBHBBsing1.09Å1.10Å
OAHHOAHsing0.97Å0.95Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CACHACBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3109.7°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C1C2H4109.4°109.5°
C1C2H5109.4°109.4°
C2C3C4121.7°109.5°
C3C2H4109.4°109.4°
C3C2H5109.4°109.5°
C2C3H6106.3°109.4°
C2C3H7106.3°109.5°
C3C4O104.8°109.5°
C4C3H6106.3°109.4°
C4C3H7106.4°109.5°
C3C4H8110.6°109.4°
C3C4H9110.6°109.5°
C4OC121.0°117.0°
OC4H8110.6°109.4°
OC4H9110.6°109.5°
CAACAVOAQ116.6°126.7°
CAACAVCAY134.7°126.7°
CAVCAAHAAB109.5°109.5°
CAVCAAHAA109.5°109.5°
CAVCAAHAAA109.5°109.5°
OCOXT124.3°120.0°
OCCA111.2°120.0°
OXTCCA124.4°120.0°
CCAN110.1°109.5°
CCACB111.9°109.5°
CCAHA107.5°109.5°
OAQCAVCAY108.7°106.6°
CAVOAQNAN109.4°113.4°
CAVCAYCAU126.3°128.6°
CAVCAYCAX105.6°102.8°
OAFCAUCAY121.5°120.0°
OAFCAUN122.8°120.0°
OAQNANCAX105.8°112.2°
CAYCAUN115.6°120.0°
CAUCAYCAX128.1°128.6°
CAUNCA122.3°120.0°
CAUNHN118.9°120.0°
CAYCAXNAN110.5°105.1°
CAYCAXCAW130.9°127.4°
NCACB111.7°109.4°
NCAHA108.3°109.5°
CANHN118.8°120.0°
CACBNAP114.6°111.1°
CACBSAR108.0°111.1°
CBCAHA107.2°109.5°
CACBHB110.5°111.0°
NANCAXCAW118.5°127.5°
CAXCAWCAM120.7°120.1°
CAXCAWCAL121.0°120.1°
NAPCBSAR104.7°100.9°
CBNAPCBB115.1°110.9°
NAPCBHB111.4°111.2°
CBNAPHNAQ108.0°109.3°
CBNAPHNAP108.1°109.2°
CBSARCBC88.4°94.9°
SARCBHB107.2°111.1°
CAWCAMCAK120.6°119.8°
CAMCAWCAL118.3°119.8°
CAWCAMHAM119.7°120.1°
CAMCAKCAI120.5°120.2°
CAMCAKHAK119.8°119.9°
CAKCAMHAM119.7°120.1°
CAWCALCAJ120.8°119.8°
CAWCALHAL119.6°120.1°
NAPCBBCBC106.2°112.9°
NAPCBBCAT111.0°108.9°
CBBNAPHNAQ108.0°109.2°
CBBNAPHNAP108.1°109.1°
NAPCBBHBB109.2°108.8°
SARCBCCBB104.3°103.5°
SARCBCCAC109.2°110.6°
SARCBCCAB105.9°110.7°
CAKCAICAJ119.6°120.2°
CAKCAIHAI120.2°119.9°
CAICAKHAK119.8°119.9°
CALCAJCAI120.2°120.2°
CAJCALHAL119.6°120.1°
CALCAJHAJ119.9°119.9°
CAICAJHAJ119.9°119.9°
CAJCAIHAI120.2°119.9°
CBCCBBCAT113.8°108.8°
CBBCBCCAC114.7°110.6°
CBBCBCCAB112.8°110.6°
CBCCBBHBB108.1°108.8°
CBBCATOAE118.3°120.0°
CBBCATOAH116.2°120.0°
CATCBBHBB108.4°108.6°
OAECATOAH125.4°119.9°
CACCBCCAB109.4°110.7°
CBCCACHAC109.5°109.5°
CBCCACHACA109.5°109.5°
CBCCACHACB109.5°109.5°
CBCCABHABA109.5°109.5°
CBCCABHABB109.5°109.5°
CBCCABHAB109.5°109.4°
CATOAHHOAH109.5°117.0°
H1C1H2109.5°109.5°
H1C1H3109.5°109.4°
H2C1H3109.5°109.5°
H4C2H5109.5°109.5°
H6C3H7109.5°109.4°
H8C4H9109.5°109.5°
HAABCAAHAA109.4°109.5°
HAABCAAHAAA109.5°109.5°
HAACAAHAAA109.4°109.4°
HNAQNAPHNAP109.5°109.1°
HABACABHABB109.5°109.5°
HABACABHAB109.5°109.4°
HABBCABHAB109.5°109.5°
HACCACHACA109.5°109.5°
HACCACHACB109.5°109.4°
HACACACHACB109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H4120.0°120.0°
C1C2C3H5120.0°120.0°
C1C2C3C4168.8°179.9°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C1C2H4H5119.9°120.0°
C1C2C3H669.5°60.0°
C1C2C3H747.1°60.0°
C2C3C4H6121.7°119.9°
C2C3C4H7121.7°120.1°
C2C3C4O175.5°180.0°
C3C2C1H1180.0°60.0°
C3C2C1H260.0°60.0°
C3C2C1H360.0°179.9°
C3C2H4H5119.9°120.0°
C2C3H6H7114.5°120.0°
C2C3C4H865.2°60.1°
C2C3C4H956.2°59.9°
C3C4OH8119.3°119.9°
C3C4OH9119.3°120.1°
C3C4OC175.0°180.0°
C4C3C2H448.8°60.0°
C4C3C2H571.2°59.9°
C4C3H6H7114.5°120.0°
C3C4H8H9122.2°120.0°
C4OCOXT125.3°0.1°
C4OCCA58.0°180.0°
OC4C3H653.8°60.1°
OC4C3H762.8°59.9°
OC4H8H9122.1°120.0°
CAACAVOAQCAY178.6°179.5°
CAACAVOAQNAN178.9°180.0°
CAACAVCAYCAU0.7°0.4°
CAACAVCAYCAX178.2°179.9°
CAVCAAHAABHAA120.0°120.0°
CAVCAAHAABHAAA120.0°120.1°
CAVCAAHAAHAAA120.0°120.0°
OCOXTCA176.3°180.0°
OCCAN157.3°152.5°
OCCACB77.9°87.5°
COC4H865.7°60.1°
COC4H955.8°59.9°
OCCAHA39.6°32.5°
OXTCCAN26.0°27.4°
OXTCCACB98.8°92.5°
OXTCCAHA143.7°147.4°
CCANCAU120.3°155.0°
CCANCB124.9°120.0°
CCANHA117.3°120.0°
CCACBHA117.7°120.0°
CCACBNAP57.6°173.0°
CCACBSAR173.8°61.5°
CCANHN59.7°25.0°
CCACBHB69.2°62.7°
OAQCAVCAYCAU177.5°179.9°
OAQCAVCAYCAX0.0°0.4°
CAVOAQNANCAX0.5°0.2°
OAQCAVCAAHAAB0.0°0.0°
OAQCAVCAAHAA120.0°120.1°
OAQCAVCAAHAAA120.0°120.0°
CAVCAYCAUOAF113.2°90.4°
CAYCAVOAQNAN0.3°0.4°
CAVCAYCAUCAX177.0°179.6°
CAVCAYCAUN66.7°89.7°
CAVCAYCAXNAN0.4°0.3°
CAVCAYCAXCAW178.3°179.8°
CAYCAVCAAHAAB178.1°179.5°
CAYCAVCAAHAA61.9°60.5°
CAYCAVCAAHAAA58.1°59.4°
OAFCAUCAYN179.9°179.9°
OAFCAUCAYCAX69.9°90.0°
OAFCAUNCA8.1°0.0°
OAFCAUNHN171.9°179.9°
OAQNANCAXCAY0.5°0.0°
OAQNANCAXCAW178.7°179.9°
CAYCAUNCA171.8°180.0°
CAUCAYCAXNAN177.8°180.0°
CAUCAYCAXCAW4.3°0.1°
CAYCAUNHN8.2°0.0°
NCAUCAYCAX110.2°90.0°
CAUNCAHN180.0°180.0°
CAUNCACB114.8°85.0°
CAUNCAHA3.0°35.0°
CAYCAXNANCAW178.2°179.9°
CAYCAXCAWCAM127.7°35.3°
CAYCAXCAWCAL49.7°145.1°
NCACBHA118.4°120.0°
NCACBNAP66.3°67.1°
NCACBSAR50.0°178.5°
NCACBHB167.0°57.3°
CACBNAPSAR118.1°117.9°
CACBNAPHB126.3°124.2°
CACBSARHB119.1°124.1°
CACBNAPCBB145.0°160.4°
CACBSARCBC161.8°152.5°
CBCANHN65.2°95.0°
CACBNAPHNAQ24.2°39.9°
CACBNAPHNAP94.1°79.3°
NANCAXCAWCAM50.0°144.6°
NANCAXCAWCAL132.6°35.1°
CAXCAWCAMCAL177.5°179.7°
CAXCAWCAMCAK178.2°179.7°
CAXCAWCALCAJ178.6°180.0°
CAXCAWCALHAL1.4°0.1°
CAXCAWCAMHAM1.8°0.3°
NAPCBSARHB118.4°118.0°
CBNAPCBBHNAQ120.8°120.5°
CBNAPCBBHNAP120.8°120.3°
NAPCBSARCBC39.2°34.6°
CBNAPCBBCBC3.9°31.9°
CBNAPCBBCAT128.1°89.0°
NAPCBCAHA175.3°52.9°
CBNAPHNAQHNAP117.4°119.3°
CBNAPCBBHBB112.5°152.8°
SARCBNAPCBB26.9°42.5°
CBSARCBCCBB41.7°18.3°
CBSARCBCCAC81.4°100.2°
CBSARCBCCAB160.9°136.8°
SARCBCAHA68.5°58.5°
SARCBNAPHNAQ93.9°77.9°
SARCBNAPHNAP147.8°162.8°
CAWCAMCAKHAM180.0°179.4°
CAWCAMCAKCAI0.2°0.6°
CAMCAWCALCAJ1.1°0.3°
CAMCAWCALHAL178.9°179.8°
CAWCAMCAKHAK179.8°179.7°
CAKCAMCAWCAL0.7°0.6°
CAMCAKCAIHAK180.0°179.7°
CAMCAKCAICAJ0.0°0.2°
CAMCAKCAIHAI179.9°179.8°
CAWCALCAJHAL180.0°179.9°
CAWCALCAJCAI1.0°0.0°
CAWCALCAJHAJ179.0°179.9°
CALCAWCAMHAM179.3°180.0°
NAPCBBCBCSAR32.5°3.9°
NAPCBBCBCCAT122.4°121.0°
NAPCBBCBCHBB117.1°120.9°
NAPCBBCATHBB119.9°118.3°
NAPCBBCATOAE28.2°18.5°
NAPCBBCBCCAC86.9°122.4°
NAPCBBCBCCAB146.9°114.6°
NAPCBBCATOAH152.8°161.4°
CBBNAPCBHB88.6°75.4°
CBBNAPHNAQHNAP117.4°119.2°
SARCBCCBBCAC119.4°118.5°
SARCBCCBBCAB114.5°118.5°
SARCBCCBBCAT154.9°117.0°
SARCBCCACCAB115.5°123.0°
CBCSARCBHB79.1°83.3°
SARCBCCBBHBB84.7°124.8°
SARCBCCABHABA180.0°58.5°
SARCBCCABHABB60.0°178.6°
SARCBCCABHAB60.0°61.5°
SARCBCCACHAC180.0°61.5°
SARCBCCACHACA60.0°178.5°
SARCBCCACHACB60.0°58.5°
CAKCAICAJCAL0.4°0.0°
CAKCAICAJHAI180.0°180.0°
CAKCAICAJHAJ179.6°180.0°
CAICAKCAMHAM179.8°180.0°
CALCAJCAIHAJ180.0°179.9°
CALCAJCAIHAI179.6°180.0°
CAICAJCALHAL179.0°179.9°
CAJCAICAKHAK180.0°180.0°
CBCCBBCATHBB120.3°118.3°
CBCCBBCATOAE91.5°104.9°
CBBCBCCACCAB127.9°123.0°
CBCCBBCATOAH87.5°75.2°
CBCCBBNAPHNAQ124.7°88.5°
CBCCBBNAPHNAP117.0°152.2°
CBBCBCCABHABA66.5°55.6°
CBBCBCCABHABB173.5°64.5°
CBBCBCCABHAB53.5°175.5°
CBBCBCCACHAC63.4°175.5°
CBBCBCCACHACA56.6°64.5°
CBBCBCCACHACB176.6°55.5°
CBBCATOAEOAH178.9°180.0°
CATCBBCBCCAC35.5°1.4°
CATCBBCBCCAB90.7°124.4°
CATCBBNAPHNAQ111.1°150.5°
CATCBBNAPHNAP7.2°31.3°
CBBCATOAHHOAH178.9°180.0°
OAECATCBBHBB148.2°136.8°
OAECATOAHHOAH0.0°0.1°
CACCBCCBBHBB156.0°116.7°
CACCBCCABHABA62.4°178.5°
CACCBCCABHABB57.6°58.4°
CACCBCCABHAB177.6°61.5°
CBCCACHACHACA120.0°120.0°
CBCCACHACHACB120.0°120.0°
CBCCACHACAHACB120.0°120.0°
CABCBCCBBHBB29.8°6.3°
CBCCABHABAHABB120.0°120.1°
CBCCABHABAHAB120.0°119.9°
CBCCABHABBHAB120.0°120.0°
CABCBCCACHAC64.5°61.5°
CABCBCCACHACA175.5°58.5°
CABCBCCACHACB55.5°178.5°
OAHCATCBBHBB32.8°43.1°
H1C1H2H3120.0°119.9°
H1C1C2H460.0°60.0°
H1C1C2H560.0°180.0°
H2C1C2H460.1°180.0°
H2C1C2H5180.0°60.0°
H3C1C2H4179.9°59.9°
H3C1C2H560.0°60.0°
H4C2C3H6170.5°180.0°
H4C2C3H772.9°60.1°
H5C2C3H650.5°60.0°
H5C2C3H7167.1°180.0°
H6C3C4H8173.1°180.0°
H6C3C4H965.4°60.0°
H7C3C4H856.4°60.0°
H7C3C4H9177.9°180.0°
HACANHN177.0°145.0°
HACACBHB48.5°177.3°
HALCALCAJHAJ1.0°0.1°
HAJCAJCAIHAI0.4°0.0°
HAICAICAKHAK0.0°0.0°
HAKCAKCAMHAM0.2°0.3°
HAABCAAHAAHAAA120.0°120.0°
HBCBNAPHNAQ150.6°164.2°
HBCBNAPHNAP32.2°44.9°
HNAQNAPCBBHBB8.3°32.4°
HNAPNAPCBBHBB126.7°86.9°
HABACABHABBHAB120.0°120.0°
HACCACHACAHACB120.0°120.0°

225946

PDB entries from 2024-10-09

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