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8OR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CALCANsing1.53Å1.54Å
CALCAKsing1.53Å1.54Å
CANCBCsing1.53Å1.54Å
CBCNASsing1.46Å1.48Å
CBCCBBsing1.53Å1.55Å
NASC2sing1.38Å1.35Å
CAKCAMsing1.53Å1.54Å
C2N3doub1.33Å1.35ÅAromatic
C2N1sing1.33Å1.36ÅAromatic
CAMCBBsing1.53Å1.56Å
N3C4sing1.33Å1.34ÅAromatic
CBBNABsing1.47Å1.49Å
N1C6doub1.33Å1.37ÅAromatic
CAASBDsing1.81Å1.78Å
C4CAJsing1.46Å1.40Å
C4C5doub1.42Å1.41ÅAromatic
CAJCAOdoub1.35Å1.39Å
CAHCAFdoub1.38Å1.40ÅAromatic
CAHCAVsing1.38Å1.38ÅAromatic
CAFCAUsing1.39Å1.41ÅAromatic
C6C5sing1.41Å1.43ÅAromatic
C6NARsing1.38Å1.36Å
C5CAYsing1.46Å1.42Å
OAESBDdoub1.42Å1.51Å
CAONATsing1.36Å1.40Å
SBDCAVsing1.76Å1.76Å
SBDOADdoub1.42Å1.49Å
CAUNARsing1.40Å1.36Å
CAUCAGdoub1.39Å1.41ÅAromatic
CAVCAIdoub1.38Å1.40ÅAromatic
CAYNATsing1.35Å1.38Å
CAYOACdoub1.22Å1.23Å
CAICAGsing1.38Å1.40ÅAromatic
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CAIH4sing1.08Å1.08Å
CAGH5sing1.08Å1.08Å
CAHH6sing1.08Å1.08Å
CAFH7sing1.08Å1.08Å
NARH8sing0.97Å1.00Å
NATH9sing0.97Å1.00Å
CAOH10sing1.08Å1.08Å
CAJH11sing1.08Å1.08Å
NASH12sing0.97Å1.00Å
CBCH13sing1.09Å1.10Å
CANH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CALH16sing1.09Å1.10Å
CALH17sing1.09Å1.10Å
CAKH18sing1.09Å1.10Å
CAKH19sing1.09Å1.10Å
CAMH20sing1.09Å1.10Å
CAMH21sing1.09Å1.10Å
CBBH22sing1.09Å1.10Å
NABH23sing1.01Å1.00Å
NABH24sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCALCAK110.6°109.5°
CALCANCBC109.8°109.4°
CALCANH14109.4°109.5°
CALCANH15109.4°109.5°
CANCALH16109.2°109.5°
CANCALH17109.2°109.4°
CALCAKCAM112.3°109.5°
CAKCALH16109.2°109.5°
CAKCALH17109.2°109.4°
CALCAKH18108.8°109.5°
CALCAKH19108.8°109.6°
CANCBCNAS110.9°109.5°
CANCBCCBB112.5°109.4°
CANCBCH13105.7°109.5°
CBCCANH14109.4°109.5°
CBCCANH15109.4°109.4°
NASCBCCBB115.3°109.5°
CBCNASC2128.1°120.0°
CBCNASH12104.6°120.1°
NASCBCH13106.2°109.5°
CBCCBBCAM109.6°109.5°
CBCCBBNAB112.9°109.4°
CBBCBCH13105.5°109.5°
CBCCBBH22108.1°109.5°
NASC2N3115.4°118.6°
NASC2N1124.7°118.7°
C2NASH12104.6°119.9°
CAKCAMCBB111.9°109.5°
CAMCAKH18108.8°109.4°
CAMCAKH19108.8°109.4°
CAKCAMH20108.9°109.5°
CAKCAMH21108.8°109.5°
N3C2N1119.9°122.7°
C2N3C4122.4°120.2°
C2N1C6121.4°121.3°
CAMCBBNAB109.0°109.5°
CBBCAMH20108.9°109.5°
CBBCAMH21108.9°109.4°
CAMCBBH22108.1°109.5°
N3C4CAJ118.1°122.7°
N3C4C5119.7°119.1°
NABCBBH22109.0°109.4°
CBBNABH23109.5°111.0°
CBBNABH24109.4°111.0°
N1C6C5118.5°118.2°
N1C6NAR122.3°120.9°
CAASBDOAE110.6°110.5°
CAASBDCAV108.7°104.5°
CAASBDOAD108.3°110.5°
SBDCAAH1109.5°109.5°
SBDCAAH2109.5°109.5°
SBDCAAH3109.5°109.5°
CAJC4C5122.2°118.2°
C4CAJCAO118.0°119.2°
C4CAJH11121.0°120.4°
C4C5C6118.1°118.6°
C4C5CAY118.4°118.6°
CAJCAONAT120.9°122.5°
CAJCAOH10119.5°118.7°
CAOCAJH11120.9°120.4°
CAFCAHCAV119.1°120.1°
CAHCAFCAU121.7°119.9°
CAFCAHH6120.5°120.0°
CAHCAFH7119.1°120.1°
CAHCAVSBD117.8°119.9°
CAHCAVCAI121.0°120.1°
CAVCAHH6120.4°119.9°
CAFCAUNAR124.6°120.1°
CAFCAUCAG118.1°119.9°
CAUCAFH7119.1°120.0°
C5C6NAR119.1°120.9°
C6C5CAY123.6°122.8°
C6NARCAU129.2°120.0°
C6NARH8115.4°120.0°
C5CAYNAT119.3°119.2°
C5CAYOAC122.2°120.5°
OAESBDCAV107.6°104.3°
OAESBDOAD113.0°121.0°
CAONATCAY121.2°122.2°
CAONATH9119.4°118.9°
NATCAOH10119.6°118.8°
CAVSBDOAD108.6°104.3°
SBDCAVCAI121.2°119.9°
NARCAUCAG117.3°120.1°
CAUNARH8115.4°120.0°
CAUCAGCAI120.2°119.9°
CAUCAGH5119.8°120.0°
CAVCAICAG119.8°120.1°
CAVCAIH4120.1°120.0°
NATCAYOAC118.5°120.4°
CAYNATH9119.4°118.9°
CAGCAIH4120.1°119.9°
CAICAGH5119.9°120.0°
H1CAAH2109.5°109.5°
H1CAAH3109.5°109.4°
H2CAAH3109.5°109.5°
H14CANH15109.5°109.5°
H16CALH17109.5°109.5°
H18CAKH19109.4°109.4°
H20CAMH21109.4°109.5°
H23NABH24109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCALCAKH16120.2°120.0°
CANCALCAKH17120.1°119.9°
CALCANCBCH14120.0°120.0°
CALCANCBCH15120.0°120.0°
CALCANCBCNAS170.9°180.0°
CALCANCBCCBB58.3°60.0°
CANCALCAKCAM56.2°60.1°
CALCANCBCH1356.2°60.0°
CALCANH14H15119.8°120.1°
CANCALH16H17119.5°120.0°
CANCALCAKH18176.6°180.0°
CANCALCAKH1964.2°60.0°
CAKCALCANCBC57.4°60.0°
CALCAKCAMH18120.4°120.0°
CALCAKCAMH19120.4°120.1°
CALCAKCAMCBB54.2°60.0°
CAKCALCANH1462.7°180.0°
CAKCALCANH15177.5°59.9°
CAKCALH16H17119.5°120.0°
CALCAKH18H19118.7°120.1°
CALCAKCAMH2066.2°60.0°
CALCAKCAMH21174.6°180.0°
CANCBCNASCBB129.3°120.0°
CANCBCNASH13114.3°120.0°
CANCBCCBBH13114.7°120.0°
CANCBCNASC269.0°85.0°
CANCBCCBBCAM55.5°60.0°
CANCBCCBBNAB177.2°180.0°
CANCBCNASH1253.4°95.0°
CBCCANH14H15119.9°120.0°
CBCCANCALH1662.8°60.0°
CBCCANCALH17177.6°180.0°
CANCBCCBBH2262.2°60.1°
NASCBCCBBH13116.8°120.0°
CBCNASC2H12122.5°180.0°
CBCNASC2N3157.7°0.0°
CBCNASC2N124.3°179.4°
NASCBCCBBCAM176.0°180.0°
NASCBCCBBNAB54.3°60.0°
NASCBCCANH1469.1°60.0°
NASCBCCANH1550.8°60.0°
NASCBCCBBH2266.3°59.9°
CBBCBCNASC260.3°155.0°
CBCCBBCAMCAK52.5°60.0°
CBCCBBCAMNAB124.0°120.0°
CBCCBBCAMH22117.6°120.1°
CBCCBBNABH22120.1°120.0°
CBBCBCNASH12177.3°25.0°
CBBCBCCANH1461.7°180.0°
CBBCBCCANH15178.4°60.0°
CBCCBBCAMH2067.9°60.0°
CBCCBBCAMH21172.9°180.0°
CBCCBBNABH23180.0°180.0°
CBCCBBNABH2460.0°56.0°
NASC2N3N1178.1°179.4°
NASC2N3C4179.9°180.0°
NASC2N1C6179.2°179.7°
C2NASCBCH13176.7°35.0°
CAKCAMCBBH20120.4°120.0°
CAKCAMCBBH21120.4°120.0°
CAKCAMCBBNAB176.6°180.0°
CAMCAKCALH1664.0°60.0°
CAMCAKCALH17176.3°180.0°
CAMCAKH18H19118.7°119.9°
CAKCAMH20H21118.8°120.1°
CAKCAMCBBH2265.1°60.0°
N3C2N1C61.3°0.3°
C2N3C4CAJ178.6°179.7°
C2N3C4C51.2°0.5°
N3C2NASH1279.8°180.0°
N1C2N3C42.0°0.6°
C2N1C6C50.2°0.1°
C2N1C6NAR178.9°180.0°
N1C2NASH1298.1°0.6°
CAMCBBNABH22117.8°120.0°
CAMCBBCBCH1359.2°60.0°
CBBCAMCAKH18174.6°180.0°
CBBCAMCAKH1966.2°60.1°
CBBCAMH20H21118.9°120.0°
CAMCBBNABH2357.9°60.0°
CAMCBBNABH24177.9°176.0°
N3C4CAJC5179.8°179.7°
N3C4CAJCAO179.8°179.7°
N3C4C5C60.4°0.3°
N3C4C5CAY179.8°179.7°
N3C4CAJH110.2°0.2°
NABCBBCBCH1362.5°60.0°
NABCBBCAMH2056.2°60.0°
NABCBBCAMH2163.1°60.0°
CBBNABH23H24120.0°124.0°
N1C6C5C41.0°0.0°
N1C6C5NAR178.7°179.9°
N1C6C5CAY179.2°179.9°
N1C6NARCAU1.5°5.7°
N1C6NARH8178.5°174.3°
CAASBDCAVCAH92.2°90.3°
CAASBDOAECAV118.6°111.8°
CAASBDOAEOAD121.6°131.5°
CAASBDCAVOAD117.6°116.0°
CAASBDCAVCAI87.8°90.0°
SBDCAAH1H2120.0°120.1°
SBDCAAH1H3120.0°120.0°
SBDCAAH2H3120.0°120.0°
C4CAJCAOH11180.0°179.9°
CAJC4C5C6179.9°180.0°
CAJC4C5CAY0.1°0.0°
C4CAJCAONAT0.3°0.0°
C4CAJCAOH10179.6°179.9°
C5C4CAJCAO0.0°0.0°
C4C5C6CAY179.8°180.0°
C4C5C6NAR179.7°180.0°
C4C5CAYNAT0.2°0.0°
C4C5CAYOAC179.5°180.0°
C5C4CAJH11180.0°180.0°
CAJCAONATH10180.0°179.9°
CAJCAONATCAY0.6°0.0°
CAJCAONATH9179.4°180.0°
CAFCAHCAVH6180.0°180.0°
CAHCAFCAUH7180.0°180.0°
CAFCAHCAVSBD179.6°180.0°
CAHCAFCAUNAR179.5°180.0°
CAHCAFCAUCAG0.4°0.4°
CAFCAHCAVCAI0.4°0.3°
CAVCAHCAFCAU0.3°0.0°
CAHCAVSBDOAE27.6°25.8°
CAHCAVSBDCAI180.0°179.7°
CAHCAVSBDOAD150.2°153.6°
CAHCAVCAICAG0.6°0.3°
CAHCAVCAIH4179.4°179.7°
CAVCAHCAFH7179.7°180.0°
CAFCAUNARC62.8°147.4°
CAFCAUNARCAG179.1°179.6°
CAFCAUCAGCAI0.6°0.4°
CAFCAUCAGH5179.4°179.7°
CAUCAFCAHH6179.7°180.0°
CAFCAUNARH8177.2°32.6°
C5C6NARCAU179.9°174.4°
C6C5CAYNAT179.6°180.0°
C6C5CAYOAC0.7°0.0°
C5C6NARH80.1°5.7°
NARC6C5CAY0.5°0.0°
C6NARCAUH8180.0°179.9°
C6NARCAUCAG178.1°33.0°
C5CAYNATCAO0.5°0.0°
C5CAYNATOAC179.7°180.0°
C5CAYNATH9179.5°180.0°
OAESBDCAVOAD122.6°127.9°
OAESBDCAVCAI152.4°153.9°
OAESBDCAAH1180.0°51.7°
OAESBDCAAH260.0°68.4°
OAESBDCAAH360.0°171.6°
CAONATCAYH9180.0°180.0°
CAONATCAYOAC179.2°180.0°
NATCAOCAJH11179.7°180.0°
SBDCAVCAICAG179.4°180.0°
CAVSBDCAAH162.1°60.0°
CAVSBDCAAH2178.0°180.0°
CAVSBDCAAH358.0°59.9°
SBDCAVCAIH40.6°0.0°
SBDCAVCAHH60.4°0.0°
OADSBDCAVCAI29.8°26.1°
OADSBDCAAH155.7°171.6°
OADSBDCAAH264.3°68.4°
OADSBDCAAH3175.7°51.7°
NARCAUCAGCAI179.8°180.0°
NARCAUCAGH50.2°0.1°
NARCAUCAFH70.5°0.0°
CAUCAGCAICAV0.7°0.1°
CAUCAGCAIH5180.0°179.9°
CAUCAGCAIH4179.3°179.9°
CAGCAUCAFH7179.6°179.6°
CAGCAUNARH81.9°147.1°
CAVCAICAGH4180.0°180.0°
CAVCAICAGH5179.3°180.0°
CAICAVCAHH6179.7°179.7°
CAYNATCAOH10179.4°179.9°
OACCAYNATH90.8°0.0°
H1CAAH2H3120.0°119.9°
H4CAICAGH50.7°0.1°
H6CAHCAFH70.2°0.0°
H9NATCAOH100.6°0.1°
H10CAOCAJH110.3°0.1°
H12NASCBCH1360.9°145.0°
H13CBCCANH14176.3°60.0°
H13CBCCANH1563.8°180.0°
H13CBCCBBH22176.9°180.0°
H14CANCALH16177.2°60.0°
H14CANCALH1757.5°60.0°
H15CANCALH1657.3°180.0°
H15CANCALH1762.4°60.0°
H16CALCAKH1856.5°60.0°
H16CALCAKH19175.6°180.0°
H17CALCAKH1863.2°60.0°
H17CALCAKH1955.9°60.0°
H18CAKCAMH2054.2°60.0°
H18CAKCAMH2165.0°60.0°
H19CAKCAMH20173.4°179.9°
H19CAKCAMH2154.2°59.9°
H20CAMCBBH22174.5°179.9°
H21CAMCBBH2255.3°60.0°
H22CBBNABH2359.9°60.0°
H22CBBNABH2460.1°64.0°

222624

PDB entries from 2024-07-17

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