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6WZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
FAECAXsing1.35Å1.37Å
FAHCBHsing1.40Å1.30Å
CAXCALdoub1.38Å1.39ÅAromatic
CAXCAYsing1.40Å1.40ÅAromatic
CALCAKsing1.38Å1.39ÅAromatic
CATCBHsing1.53Å1.53Å
CATNBFsing1.47Å1.49Å
CBHFAFsing1.40Å1.31Å
CBHFAGsing1.40Å1.32Å
CAPNBEsing1.47Å1.47Å
CAPCAQsing1.53Å1.54Å
CASNBEsing1.47Å1.48Å
CASCBDsing1.53Å1.53Å
NBECAVsing1.35Å1.36Å
CAVCAYsing1.48Å1.40Å
CAVOABdoub1.22Å1.24Å
CAYCAOdoub1.40Å1.39ÅAromatic
CAKCAWdoub1.38Å1.40ÅAromatic
CAQNBFsing1.47Å1.48Å
NBFCBDsing1.47Å1.49Å
CBDCAAsing1.53Å1.55Å
CAOCAWsing1.38Å1.40ÅAromatic
CAWCARsing1.51Å1.41Å
CAJCANsing1.38Å1.39ÅAromatic
CAJCAIdoub1.39Å1.38ÅAromatic
CANCBCdoub1.39Å1.40ÅAromatic
CAICAMsing1.38Å1.39ÅAromatic
CARNBGsing1.46Å1.48Å
CBCNBGsing1.39Å1.37Å
CBCCBBsing1.41Å1.41ÅAromatic
NBGCBAsing1.34Å1.36Å
CAMCBBdoub1.39Å1.40ÅAromatic
CBBCAZsing1.47Å1.40Å
CBAOADdoub1.22Å1.23Å
CBANAUsing1.34Å1.40Å
CAZNAUsing1.35Å1.39Å
CAZOACdoub1.22Å1.23Å
NAUH1sing0.97Å1.00Å
CAMH2sing1.08Å1.08Å
CAIH3sing1.08Å1.08Å
CAJH4sing1.08Å1.08Å
CANH5sing1.08Å1.08Å
CARH6sing1.09Å1.10Å
CARH7sing1.09Å1.10Å
CAOH8sing1.08Å1.08Å
CAKH9sing1.08Å1.08Å
CALH10sing1.08Å1.08Å
CASH11sing1.09Å1.10Å
CASH12sing1.09Å1.10Å
CBDH13sing1.09Å1.10Å
CAAH14sing1.09Å1.10Å
CAAH15sing1.09Å1.10Å
CAAH16sing1.09Å1.10Å
CAPH17sing1.09Å1.10Å
CAPH18sing1.09Å1.10Å
CAQH19sing1.09Å1.10Å
CAQH20sing1.09Å1.10Å
CATH22sing1.09Å1.10Å
CATH23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
FAECAXCAL119.7°120.1°
FAECAXCAY120.0°120.1°
FAHCBHCAT109.2°109.5°
FAHCBHFAF108.6°109.5°
FAHCBHFAG109.3°109.5°
CALCAXCAY120.2°119.8°
CAXCALCAK120.2°120.1°
CAXCALH10119.9°120.0°
CAXCAYCAV121.6°120.1°
CAXCAYCAO119.3°119.7°
CALCAKCAW120.3°120.3°
CALCAKH9119.9°119.8°
CAKCALH10119.9°119.9°
CBHCATNBF113.1°109.4°
CATCBHFAF110.4°109.5°
CATCBHFAG109.0°109.4°
CBHCATH22108.5°109.5°
CBHCATH23108.6°109.4°
CATNBFCAQ110.9°111.0°
CATNBFCBD112.7°111.1°
NBFCATH22108.6°109.5°
NBFCATH23108.6°109.5°
FAFCBHFAG110.3°109.5°
NBECAPCAQ108.5°108.5°
CAPNBECAS115.4°118.2°
CAPNBECAV124.3°120.9°
NBECAPH17109.7°109.6°
NBECAPH18109.7°109.6°
CAPCAQNBF115.5°109.3°
CAQCAPH17109.7°109.6°
CAQCAPH18109.7°109.6°
CAPCAQH19107.9°109.5°
CAPCAQH20108.0°109.5°
NBECASCBD109.8°108.5°
CASNBECAV120.2°120.9°
NBECASH11109.4°109.6°
NBECASH12109.4°109.7°
CASCBDNBF111.3°109.3°
CASCBDCAA109.4°109.5°
CBDCASH11109.4°109.6°
CBDCASH12109.4°109.6°
CASCBDH13107.7°109.5°
NBECAVCAY121.6°120.0°
NBECAVOAB122.0°120.0°
CAYCAVOAB116.4°120.0°
CAVCAYCAO119.0°120.2°
CAYCAOCAW121.0°119.9°
CAYCAOH8119.5°120.0°
CAKCAWCAO118.9°120.2°
CAKCAWCAR119.8°119.9°
CAWCAKH9119.8°119.9°
CAQNBFCBD111.3°111.4°
NBFCAQH19107.9°109.6°
NBFCAQH20107.9°109.4°
NBFCBDCAA112.7°109.5°
NBFCBDH13108.1°109.5°
CAACBDH13107.5°109.5°
CBDCAAH14109.5°109.5°
CBDCAAH15109.5°109.5°
CBDCAAH16109.5°109.5°
CAOCAWCAR121.2°119.9°
CAWCAOH8119.5°120.1°
CAWCARNBG114.0°109.5°
CAWCARH6108.4°109.4°
CAWCARH7108.3°109.4°
CANCAJCAI120.5°120.6°
CAJCANCBC121.5°119.8°
CANCAJH4119.8°119.7°
CAJCANH5119.2°120.1°
CAJCAICAM119.3°120.4°
CAJCAIH3120.4°119.8°
CAICAJH4119.8°119.6°
CANCBCNBG121.7°121.6°
CANCBCCBB117.6°119.7°
CBCCANH5119.2°120.1°
CAICAMCBB120.8°119.5°
CAICAMH2119.6°120.3°
CAMCAIH3120.4°119.8°
CARNBGCBC123.8°119.7°
CARNBGCBA116.6°119.7°
NBGCARH6108.3°109.5°
NBGCARH7108.4°109.4°
NBGCBCCBB120.7°118.7°
CBCNBGCBA119.5°120.6°
CBCCBBCAM120.3°120.0°
CBCCBBCAZ119.6°118.3°
NBGCBAOAD121.6°118.6°
NBGCBANAU121.3°122.8°
CAMCBBCAZ120.1°121.7°
CBBCAMH2119.6°120.2°
CBBCAZNAU118.4°118.2°
CBBCAZOAC123.4°120.9°
OADCBANAU117.0°118.6°
CBANAUCAZ120.4°121.3°
CBANAUH1119.8°119.4°
NAUCAZOAC118.1°120.9°
CAZNAUH1119.8°119.3°
H6CARH7109.5°109.5°
H11CASH12109.5°109.8°
H14CAAH15109.5°109.5°
H14CAAH16109.4°109.4°
H15CAAH16109.5°109.5°
H17CAPH18109.5°109.8°
H19CAQH20109.5°109.5°
H22CATH23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
FAECAXCALCAY179.2°179.8°
FAECAXCALCAK179.6°180.0°
FAECAXCAYCAV1.7°0.3°
FAECAXCAYCAO179.9°179.9°
FAECAXCALH100.4°0.1°
FAHCBHCATFAF119.3°120.0°
FAHCBHCATFAG119.4°120.0°
FAHCBHCATNBF175.0°53.6°
FAHCBHFAFFAG119.8°120.0°
FAHCBHCATH2264.4°173.6°
FAHCBHCATH2354.4°66.4°
CAXCALCAKH10180.0°179.9°
CALCAXCAYCAV179.1°179.9°
CALCAXCAYCAO0.7°0.3°
CAXCALCAKCAW1.2°0.0°
CAXCALCAKH9178.9°179.9°
CAYCAXCALCAK0.3°0.2°
CAXCAYCAVNBE65.7°126.6°
CAXCAYCAVCAO178.4°179.7°
CAXCAYCAVOAB114.3°53.5°
CAXCAYCAOCAW0.4°0.0°
CAXCAYCAOH8179.5°180.0°
CAYCAXCALH10179.7°179.7°
CALCAKCAWH9180.0°180.0°
CALCAKCAWCAO2.2°0.3°
CALCAKCAWCAR178.3°180.0°
CBHCATNBFH22120.5°120.0°
CBHCATNBFH23120.5°120.0°
CATCBHFAFFAG120.5°120.0°
CBHCATNBFCAQ109.8°77.0°
CBHCATNBFCBD124.7°158.4°
CBHCATH22H23118.3°119.9°
NBFCATCBHFAF55.6°66.4°
NBFCATCBHFAG65.7°173.6°
CATNBFCAQCAP74.6°172.7°
CATNBFCBDCAS71.6°172.8°
CATNBFCAQCBD126.3°124.4°
CATNBFCBDCAA165.1°52.8°
CATNBFCBDH1346.4°67.3°
CATNBFCAQH19164.5°52.8°
CATNBFCAQH2046.3°67.3°
NBFCATH22H23118.4°120.1°
FAFCBHCATH22176.2°53.6°
FAFCBHCATH2364.9°173.6°
FAGCBHCATH2254.9°66.4°
FAGCBHCATH23173.8°53.6°
NBECAPCAQH17119.8°119.7°
NBECAPCAQH18119.9°119.7°
CAPNBECASCAV178.5°179.8°
CAPNBECASCBD56.9°51.4°
CAPNBECAVCAY0.8°176.3°
CAPNBECAVOAB179.2°3.8°
NBECAPCAQNBF49.3°53.7°
CAPNBECASH1163.2°171.2°
CAPNBECASH12176.9°68.3°
NBECAPH17H18120.5°120.5°
NBECAPCAQH1971.6°173.8°
NBECAPCAQH20170.2°66.1°
CAQCAPNBECAS52.2°51.5°
CAQCAPNBECAV129.3°128.8°
CAPCAQNBFH19120.9°120.0°
CAPCAQNBFH20120.9°119.9°
CAPCAQNBFCBD51.7°62.8°
CAQCAPH17H18120.4°120.5°
CAPCAQH19H20117.3°120.1°
NBECASCBDH11120.0°119.7°
NBECASCBDH12120.1°119.7°
CASNBECAVCAY179.2°3.9°
CASNBECAVOAB0.8°176.0°
NBECASCBDNBF55.6°53.8°
NBECASCBDCAA69.6°173.8°
NBECASH11H12119.9°120.5°
NBECASCBDH13173.9°66.2°
CASNBECAPH17172.0°68.2°
CASNBECAPH1867.7°171.1°
CBDCASNBECAV124.6°128.8°
CASCBDNBFCAQ53.7°62.8°
CASCBDNBFCAA123.3°120.0°
CASCBDNBFH13118.1°119.9°
CASCBDCAAH13116.6°120.0°
CBDCASH11H12119.8°120.4°
CASCBDCAAH14180.0°69.0°
CASCBDCAAH1560.0°171.0°
CASCBDCAAH1660.0°51.0°
NBECAVCAYOAB180.0°179.9°
NBECAVCAYCAO115.8°53.0°
CAVNBECASH11115.4°9.1°
CAVNBECASH124.6°111.5°
CAVNBECAPH179.5°111.5°
CAVNBECAPH18110.8°9.1°
CAVCAYCAOCAW178.0°179.7°
CAVCAYCAOH82.0°0.3°
OABCAVCAYCAO64.1°126.9°
CAYCAOCAWCAK1.9°0.2°
CAYCAOCAWH8180.0°180.0°
CAYCAOCAWCAR177.9°180.0°
CAKCAWCAOCAR176.0°179.7°
CAKCAWCARNBG140.0°90.2°
CAKCAWCARH619.4°149.7°
CAKCAWCARH799.3°29.7°
CAKCAWCAOH8178.1°179.8°
CAWCAKCALH10178.8°180.0°
CAQNBFCBDCAA69.6°177.2°
CAQNBFCBDH13171.7°57.1°
NBFCAQCAPH17169.1°65.9°
NBFCAQCAPH1870.6°173.4°
NBFCAQH19H20117.2°120.0°
CAQNBFCATH22129.7°43.0°
CAQNBFCATH2310.7°163.0°
NBFCBDCAAH13119.0°120.1°
NBFCBDCASH1164.4°173.5°
NBFCBDCASH12175.6°65.9°
NBFCBDCAAH1455.6°50.9°
NBFCBDCAAH15175.7°69.1°
NBFCBDCAAH1664.3°170.9°
CBDNBFCAQH1969.2°177.2°
CBDNBFCAQH20172.6°57.1°
CBDNBFCATH224.2°81.6°
CBDNBFCATH23114.8°38.4°
CAACBDCASH11170.4°66.5°
CAACBDCASH1250.5°54.1°
CBDCAAH14H15120.0°120.1°
CBDCAAH14H16120.0°120.0°
CBDCAAH15H16120.0°120.1°
CAOCAWCARNBG44.0°90.0°
CAOCAWCARH6164.7°30.0°
CAOCAWCARH776.7°150.0°
CAOCAWCAKH9177.8°179.7°
CAWCARNBGH6120.7°120.0°
CAWCARNBGH7120.7°120.0°
CAWCARNBGCBC81.3°90.0°
CAWCARNBGCBA100.5°90.3°
CAWCARH6H7117.9°120.0°
CARCAWCAOH82.1°0.0°
CARCAWCAKH91.7°0.0°
CANCAJCAIH4180.0°180.0°
CAJCANCBCH5180.0°180.0°
CANCAJCAICAM0.5°0.0°
CAJCANCBCNBG179.6°179.8°
CAJCANCBCCBB0.2°0.1°
CANCAJCAIH3179.5°180.0°
CAICAJCANCBC0.5°0.1°
CAJCAICAMH3180.0°180.0°
CAJCAICAMCBB0.2°0.0°
CAJCAICAMH2179.9°180.0°
CAICAJCANH5179.5°179.9°
CANCBCNBGCAR1.6°0.1°
CANCBCNBGCBB179.4°179.9°
CANCBCNBGCBA179.7°179.7°
CANCBCCBBCAM0.2°0.0°
CANCBCCBBCAZ179.9°179.9°
CBCCANCAJH4179.5°180.0°
CAICAMCBBCBC0.2°0.0°
CAICAMCBBH2180.0°180.0°
CAICAMCBBCAZ179.9°180.0°
CAMCAICAJH4179.5°180.0°
CARNBGCBCCBA178.1°179.7°
CARNBGCBCCBB179.0°179.8°
CARNBGCBAOAD1.4°0.1°
CARNBGCBANAU179.3°179.8°
NBGCARH6H7118.0°120.0°
NBGCBCCBBCAM179.2°179.9°
NBGCBCCBBCAZ0.5°0.2°
CBCNBGCBAOAD179.6°179.8°
CBCNBGCBANAU1.1°0.5°
NBGCBCCANH50.5°0.2°
CBCNBGCARH639.3°150.1°
CBCNBGCARH7158.0°30.0°
CBBCBCNBGCBA0.9°0.4°
CBCCBBCAMCAZ179.7°180.0°
CBCCBBCAZNAU0.2°0.0°
CBCCBBCAZOAC179.5°180.0°
CBCCBBCAMH2179.8°180.0°
CBBCBCCANH5179.8°179.9°
NBGCBAOADNAU179.4°179.7°
NBGCBANAUCAZ0.7°0.3°
NBGCBANAUH1179.2°179.7°
CBANBGCARH6138.8°29.7°
CBANBGCARH720.1°149.8°
CAMCBBCAZNAU179.6°179.9°
CAMCBBCAZOAC0.7°0.0°
CBBCAMCAIH3179.8°180.0°
CBBCAZNAUCBA0.3°0.0°
CBBCAZNAUOAC179.7°180.0°
CBBCAZNAUH1179.7°180.0°
CAZCBBCAMH20.1°0.0°
OADCBANAUCAZ179.9°180.0°
OADCBANAUH10.1°0.1°
CBANAUCAZH1180.0°180.0°
CBANAUCAZOAC179.4°180.0°
OACCAZNAUH10.6°0.0°
H2CAMCAIH30.2°0.0°
H3CAICAJH40.5°0.0°
H4CAJCANH50.5°0.1°
H9CAKCALH101.1°0.0°
H11CASCBDH1353.9°53.6°
H12CASCBDH1366.0°174.1°
H13CBDCAAH1463.4°171.0°
H13CBDCAAH1556.6°51.0°
H13CBDCAAH16176.6°69.0°
H14CAAH15H16120.0°119.9°
H17CAPCAQH1948.2°54.1°
H17CAPCAQH2070.0°174.2°
H18CAPCAQH19168.5°66.5°
H18CAPCAQH2050.3°53.6°

222415

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