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9OC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C2doub1.22Å1.29Å
OAICBKsing1.43Å1.43Å
C2N1sing1.35Å1.33Å
C2N3sing1.34Å1.42Å
OAHCBJsing1.43Å1.44Å
N1C8Asing1.37Å1.34Å
CBKCBJsing1.53Å1.56Å
CBKCBIsing1.53Å1.52Å
N3C4sing1.35Å1.37Å
CATCBIsing1.53Å1.53Å
CATOAXsing1.43Å1.39Å
CBJCAUsing1.53Å1.60Å
CAUN8sing1.47Å1.55Å
CBIOAGsing1.43Å1.49Å
OAXPBNsing1.61Å1.65Å
C8AN8sing1.37Å1.33Å
C8AC4Adoub1.38Å1.41Å
C4C4Asing1.40Å1.37Å
C4O4doub1.22Å1.26Å
N8C7sing1.40Å1.39Å
OAKPBNdoub1.48Å1.49Å
C4AN5sing1.41Å1.36Å
PBNOAEsing1.61Å1.48Å
PBNOAJsing1.61Å1.52Å
CAPCANdoub1.38Å1.42ÅAromatic
CAPCBBsing1.38Å1.42ÅAromatic
CASCBBsing1.51Å1.43Å
CASCAYsing1.51Å1.61Å
C7CAQsing1.39Å1.41ÅAromatic
C7C6doub1.40Å1.42ÅAromatic
CANCALsing1.38Å1.40ÅAromatic
CBBCAOdoub1.38Å1.40ÅAromatic
N5CAYsing1.35Å1.45Å
N5C6sing1.41Å1.35Å
CAQCAZdoub1.38Å1.42ÅAromatic
CAYOACdoub1.21Å1.27Å
C6CARsing1.38Å1.40ÅAromatic
CALCAMdoub1.38Å1.42ÅAromatic
CAOCAMsing1.38Å1.41ÅAromatic
CAZCAAsing1.51Å1.47Å
CAZCBAsing1.38Å1.39ÅAromatic
CARCBAdoub1.38Å1.39ÅAromatic
CBACABsing1.51Å1.50Å
N1H1sing0.97Å1.00Å
N3H2sing0.97Å1.00Å
CAAH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
CAAH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CALH9sing1.08Å1.08Å
CAMH10sing1.08Å1.08Å
CANH11sing1.08Å1.08Å
CAOH12sing1.08Å1.08Å
CAPH13sing1.08Å1.08Å
CAQH14sing1.08Å1.08Å
CARH16sing1.08Å1.08Å
CASH18sing1.09Å1.10Å
CASH19sing1.09Å1.10Å
CATH20sing1.09Å1.10Å
CATH21sing1.09Å1.10Å
CAUH22sing1.09Å1.10Å
CAUH23sing1.09Å1.10Å
CBIH24sing1.09Å1.10Å
CBJH25sing1.09Å1.10Å
CBKH26sing1.09Å1.10Å
OAEH27sing0.97Å0.95Å
OAGH28sing0.97Å0.95Å
OAHH29sing0.97Å0.95Å
OAIH30sing0.97Å0.95Å
OAJH31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C2N1122.7°119.3°
O2C2N3118.5°119.3°
OAICBKCBJ107.8°109.4°
OAICBKCBI108.6°109.5°
OAICBKH26110.4°109.5°
CBKOAIH30109.5°114.0°
N1C2N3118.7°121.3°
C2N1C8A122.7°120.2°
C2N1H1118.7°119.9°
C2N3C4119.0°120.8°
C2N3H2120.5°119.6°
OAHCBJCBK107.2°109.5°
OAHCBJCAU109.7°109.4°
OAHCBJH25110.6°109.4°
CBJOAHH29109.5°114.0°
N1C8AN8119.8°120.7°
N1C8AC4A120.3°119.2°
C8AN1H1118.6°119.9°
CBJCBKCBI112.1°109.5°
CBKCBJCAU111.9°109.5°
CBKCBJH25108.9°109.5°
CBJCBKH26108.7°109.5°
CBKCBICAT104.1°109.5°
CBKCBIOAG107.3°109.5°
CBKCBIH24112.6°109.5°
CBICBKH26109.2°109.5°
N3C4C4A121.3°119.3°
N3C4O4116.9°120.4°
C4N3H2120.5°119.6°
CBICATOAX110.1°109.5°
CATCBIOAG106.6°109.4°
CBICATH20109.3°109.4°
CBICATH21109.3°109.5°
CATCBIH24112.5°109.5°
CATOAXPBN122.0°123.0°
OAXCATH20109.3°109.4°
OAXCATH21109.3°109.5°
CBJCAUN8114.0°109.4°
CBJCAUH22108.3°109.5°
CBJCAUH23108.3°109.5°
CAUCBJH25108.5°109.5°
CAUN8C8A119.9°120.1°
CAUN8C7117.6°120.1°
N8CAUH22108.3°109.5°
N8CAUH23108.3°109.4°
OAGCBIH24113.1°109.5°
CBIOAGH28109.5°114.0°
OAXPBNOAK113.3°109.5°
OAXPBNOAE99.8°109.5°
OAXPBNOAJ104.0°109.5°
N8C8AC4A119.7°120.1°
C8AN8C7120.6°119.7°
C8AC4AC4117.7°119.2°
C8AC4AN5115.7°119.9°
C4AC4O4121.8°120.3°
C4C4AN5126.5°120.9°
N8C7CAQ123.7°120.7°
N8C7C6117.9°119.5°
OAKPBNOAE115.4°109.5°
OAKPBNOAJ111.8°109.4°
C4AN5CAY118.2°120.7°
C4AN5C6120.9°118.6°
OAEPBNOAJ111.4°109.5°
PBNOAEH27109.5°114.0°
PBNOAJH31109.5°113.9°
CANCAPCBB119.7°120.0°
CAPCANCAL119.4°120.0°
CAPCANH11120.3°120.0°
CANCAPH13120.1°120.0°
CAPCBBCAS119.0°120.0°
CAPCBBCAO120.3°120.0°
CBBCAPH13120.2°120.0°
CBBCASCAY114.9°109.4°
CASCBBCAO120.7°120.0°
CBBCASH18108.1°109.5°
CBBCASH19108.1°109.5°
CASCAYN5119.4°120.0°
CASCAYOAC113.3°120.0°
CAYCASH18108.1°109.5°
CAYCASH19108.1°109.4°
CAQC7C6118.4°119.7°
C7CAQCAZ121.3°119.9°
C7CAQH14119.3°120.1°
C7C6N5116.8°119.2°
C7C6CAR119.4°120.1°
CANCALCAM121.0°120.0°
CANCALH9119.5°120.0°
CALCANH11120.3°120.0°
CBBCAOCAM120.4°120.0°
CBBCAOH12119.8°120.0°
CAYN5C6113.9°120.7°
N5CAYOAC127.3°120.0°
N5C6CAR123.8°120.7°
CAQCAZCAA118.1°119.9°
CAQCAZCBA118.9°120.2°
CAZCAQH14119.3°120.0°
C6CARCBA121.7°119.8°
C6CARH16119.2°120.1°
CALCAMCAO119.2°120.0°
CAMCALH9119.5°120.0°
CALCAMH10120.4°120.0°
CAOCAMH10120.4°120.0°
CAMCAOH12119.8°120.0°
CAACAZCBA123.0°119.9°
CAZCAAH3109.5°109.5°
CAZCAAH4109.5°109.5°
CAZCAAH5109.5°109.5°
CAZCBACAR120.3°120.2°
CAZCBACAB118.2°119.9°
CARCBACAB121.3°119.9°
CBACARH16119.2°120.2°
CBACABH6109.5°109.4°
CBACABH7109.5°109.5°
CBACABH8109.4°109.5°
H3CAAH4109.5°109.4°
H3CAAH5109.5°109.5°
H4CAAH5109.4°109.5°
H6CABH7109.5°109.5°
H6CABH8109.5°109.4°
H7CABH8109.5°109.5°
H18CASH19109.5°109.5°
H20CATH21109.5°109.5°
H22CAUH23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C2N1N3178.1°179.9°
O2C2N1C8A179.1°179.7°
O2C2N3C4177.3°180.0°
O2C2N1H10.9°0.3°
O2C2N3H22.7°0.1°
OAICBKCBJOAH72.1°180.0°
OAICBKCBJCBI119.5°120.0°
OAICBKCBJH26119.7°120.0°
OAICBKCBIH26120.5°120.0°
OAICBKCBICAT86.4°60.0°
OAICBKCBJCAU48.2°60.0°
OAICBKCBIOAG160.8°180.0°
OAICBKCBIH2435.7°60.0°
OAICBKCBJH25168.2°60.0°
C2N1C8AH1180.0°180.0°
N1C2N3C44.5°0.1°
C2N1C8AN8172.4°179.9°
C2N1C8AC4A2.3°0.5°
N1C2N3H2175.5°180.0°
N3C2N1C8A2.8°0.2°
C2N3C4H2180.0°179.9°
C2N3C4C4A1.2°0.1°
C2N3C4O4179.5°179.7°
N3C2N1H1177.3°179.8°
OAHCBJCBKCAU120.3°120.0°
OAHCBJCBKH25119.7°120.0°
OAHCBJCBKCBI168.4°60.0°
OAHCBJCAUH25120.9°119.9°
OAHCBJCAUN871.7°60.0°
OAHCBJCAUH2249.0°60.0°
OAHCBJCAUH23167.6°179.9°
OAHCBJCBKH2647.5°60.0°
N1C8AN8CAU0.4°13.6°
N1C8AN8C4A174.7°179.4°
N1C8AC4AC45.5°0.5°
N1C8AN8C7164.2°166.3°
N1C8AC4AN5171.5°179.6°
CBJCBKCBIH26120.5°120.0°
CBJCBKCBICAT154.6°180.0°
CBKCBJCAUH25120.2°120.1°
CBKCBJCAUN8169.5°180.0°
CBJCBKCBIOAG41.8°60.0°
CBKCBJCAUH2269.9°60.0°
CBKCBJCAUH2348.8°60.1°
CBJCBKCBIH2483.3°60.0°
CBKCBJOAHH29180.0°59.9°
CBJCBKOAIH30180.0°60.0°
CBKCBICATOAG113.3°120.0°
CBKCBICATH24122.3°120.1°
CBKCBICATOAX176.5°175.0°
CBICBKCBJCAU71.3°NaN°
CBKCBIOAGH24124.8°120.1°
CBKCBICATH2056.4°55.1°
CBKCBICATH2163.4°65.0°
CBICBKCBJH2548.7°59.9°
CBKCBIOAGH28180.0°60.0°
CBICBKOAIH3058.3°59.9°
N3C4C4AC8A3.7°0.2°
N3C4C4AO4178.2°179.8°
N3C4C4AN5173.0°179.9°
CBICATOAXH20120.1°119.9°
CBICATOAXH21120.1°120.0°
CATCBIOAGH24124.1°120.0°
CBICATOAXPBN99.6°180.0°
CBICATH20H21119.7°120.0°
CATCBICBKH2634.0°60.0°
CATCBIOAGH2868.9°60.0°
OAXCATCBIOAG70.2°65.0°
CATOAXPBNOAK45.1°55.0°
CATOAXPBNOAE168.3°175.1°
CATOAXPBNOAJ76.6°64.9°
OAXCATH20H21119.7°120.0°
OAXCATCBIH2454.3°54.9°
CBJCAUN8H22120.7°120.0°
CBJCAUN8H23120.7°120.0°
CBJCAUN8C8A85.3°90.1°
CBJCAUN8C779.0°90.0°
CBJCAUH22H23117.9°120.1°
CAUCBJCBKH26167.9°60.0°
CAUCBJOAHH2958.3°60.0°
CAUN8C8AC7163.8°180.0°
CAUN8C8AC4A174.3°165.8°
CAUN8C7CAQ1.5°14.7°
CAUN8C7C6178.1°165.3°
N8CAUH22H23117.9°120.0°
N8CAUCBJH2549.3°60.0°
OAGCBICATH20169.7°175.0°
OAGCBICATH2149.9°55.0°
OAGCBICBKH2678.7°60.0°
OAXPBNOAKOAE114.1°120.0°
OAXPBNOAKOAJ117.1°120.0°
OAXPBNOAEOAJ109.3°120.0°
PBNOAXCATH20140.3°60.1°
PBNOAXCATH2120.4°59.9°
OAXPBNOAEH27121.7°180.0°
OAXPBNOAJH31122.6°60.0°
N8C8AC4AC4169.2°179.9°
N8C8AC4AN513.8°0.1°
C8AN8C7CAQ162.7°165.3°
C8AN8C7C617.7°14.8°
N8C8AN1H17.6°0.1°
C8AN8CAUH2235.4°29.9°
C8AN8CAUH23154.1°150.0°
C8AC4AC4N5176.7°179.9°
C8AC4AC4O4174.5°180.0°
C4AC8AN8C710.5°14.2°
C8AC4AN5CAY116.7°166.7°
C8AC4AN5C632.2°13.3°
C4AC8AN1H1177.7°179.5°
C4C4AN5CAY60.0°13.4°
C4C4AN5C6151.1°166.6°
C4AC4N3H2178.8°180.0°
O4C4C4AN58.8°0.1°
O4C4N3H20.6°0.3°
N8C7CAQC6179.6°180.0°
N8C7C6N50.3°1.2°
N8C7CAQCAZ178.7°179.9°
N8C7C6CAR179.0°179.9°
N8C7CAQH141.3°0.1°
C7N8CAUH22160.3°150.0°
C7N8CAUH2341.6°30.0°
OAKPBNOAEOAJ129.0°120.0°
OAKPBNOAEH270.0°60.0°
OAKPBNOAJH310.0°180.0°
C4AN5CAYCAS10.3°174.5°
C4AN5C6C725.0°12.6°
C4AN5CAYC6151.0°180.0°
C4AN5CAYOAC169.9°5.5°
C4AN5C6CAR155.7°166.3°
OAEPBNOAJH31130.8°60.0°
OAJPBNOAEH27129.0°60.0°
CANCAPCBBH13180.0°179.4°
CANCAPCBBCAS179.7°180.0°
CAPCANCALH11180.0°179.9°
CANCAPCBBCAO1.5°0.9°
CAPCANCALCAM0.3°0.1°
CAPCANCALH9179.7°179.8°
CAPCBBCASCAO178.8°179.1°
CAPCBBCASCAY102.2°90.0°
CBBCAPCANCAL1.5°0.5°
CAPCBBCAOCAM0.2°0.6°
CBBCAPCANH11178.5°179.4°
CAPCBBCAOH12179.7°179.5°
CAPCBBCASH1818.6°30.0°
CAPCBBCASH19137.0°150.0°
CBBCASCAYH18120.8°120.0°
CBBCASCAYH19120.8°120.0°
CBBCASCAYN5174.5°169.2°
CBBCASCAYOAC5.7°10.8°
CASCBBCAOCAM179.1°179.7°
CASCBBCAOH120.9°0.3°
CASCBBCAPH130.3°0.6°
CBBCASH18H19117.6°120.0°
CAYCASCBBCAO79.0°90.8°
CASCAYN5OAC179.8°180.0°
CASCAYN5C6161.3°5.5°
CAYCASH18H19117.5°120.0°
CAQC7C6N5179.9°178.9°
C7CAQCAZH14180.0°180.0°
CAQC7C6CAR0.6°0.0°
C7CAQCAZCAA179.9°179.9°
C7CAQCAZCBA0.3°0.1°
C7C6N5CAY125.1°167.4°
C7C6N5CAR179.3°178.9°
C6C7CAQCAZ0.9°0.0°
C7C6CARCBA0.9°0.1°
C6C7CAQH14179.1°179.9°
C7C6CARH16179.1°179.9°
CANCALCAMH9180.0°179.7°
CANCALCAMCAO0.9°0.4°
CANCALCAMH10179.1°179.8°
CALCANCAPH13178.5°180.0°
CBBCAOCAMCAL0.9°0.0°
CBBCAOCAMH12180.0°179.9°
CBBCAOCAMH10179.1°179.9°
CAOCBBCAPH13178.5°179.7°
CAOCBBCASH18160.2°149.2°
CAOCBBCASH1941.8°29.1°
CAYN5C6CAR54.2°13.7°
N5CAYCASH1853.7°70.8°
N5CAYCASH1964.7°49.3°
C6N5CAYOAC18.9°174.5°
N5C6CARCBA178.3°178.8°
N5C6CARH161.6°1.2°
CAQCAZCAACBA179.6°179.9°
CAQCAZCBACAR1.9°0.1°
CAQCAZCBACAB177.2°179.9°
CAQCAZCAAH390.2°90.1°
CAQCAZCAAH4149.8°150.0°
CAQCAZCAAH529.8°30.0°
OACCAYCASH18126.5°109.2°
OACCAYCASH19115.1°130.8°
C6CARCBACAZ2.2°0.1°
C6CARCBAH16180.0°179.9°
C6CARCBACAB177.4°179.9°
CALCAMCAOH10180.0°179.9°
CAMCALCANH11179.7°180.0°
CALCAMCAOH12179.1°179.9°
CAOCAMCALH9179.1°180.0°
CAACAZCBACAR178.5°180.0°
CAACAZCBACAB3.2°0.2°
CAZCAAH3H4120.0°120.0°
CAZCAAH3H5120.0°120.1°
CAZCAAH4H5120.0°120.1°
CAACAZCAQH140.1°0.0°
CAZCBACARCAB175.2°179.9°
CBACAZCAAH390.2°90.1°
CBACAZCAAH429.8°29.9°
CBACAZCAAH5149.8°149.9°
CAZCBACABH687.8°90.1°
CAZCBACABH7152.2°29.9°
CAZCBACABH832.2°149.9°
CBACAZCAQH14179.7°179.9°
CAZCBACARH16177.8°179.9°
CARCBACABH687.5°90.0°
CARCBACABH732.5°150.0°
CARCBACABH8152.5°29.9°
CBACABH6H7120.0°120.0°
CBACABH6H8120.0°120.0°
CBACABH7H8120.0°120.0°
CABCBACARH162.6°0.0°
H3CAAH4H5120.0°120.0°
H6CABH7H8120.0°120.0°
H9CALCAMH100.9°0.1°
H9CALCANH110.3°0.3°
H10CAMCAOH120.9°0.1°
H11CANCAPH131.5°0.0°
H20CATCBIH2465.8°65.0°
H21CATCBIH24174.3°174.9°
H22CAUCBJH25169.9°179.9°
H23CAUCBJH2571.4°60.0°
H24CBICBKH26156.2°180.0°
H24CBIOAGH2855.2°179.9°
H25CBJCBKH2672.2°180.0°
H25CBJOAHH2961.4°180.0°
H26CBKOAIH3061.4°179.9°

222415

PDB entries from 2024-07-10

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