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A1C8V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAMCALsing1.36Å1.36Å
CLAOCANsing1.74Å1.68Å
CALCANdoub1.39Å1.38ÅAromatic
CALCAJsing1.39Å1.39ÅAromatic
CLAKCAJsing1.74Å1.77Å
CANCAPsing1.38Å1.39ÅAromatic
CAJCAIdoub1.38Å1.41ÅAromatic
CAPCAHdoub1.39Å1.39ÅAromatic
CAICAHsing1.39Å1.40ÅAromatic
CAWCAVsing1.54Å1.51Å
CAWCAXsing1.54Å1.51Å
CAVCAUsing1.55Å1.50Å
CAHNAGsing1.40Å1.34Å
CAXCATsing1.54Å1.52Å
CAUCATsing1.55Å1.54Å
NAGC2sing1.39Å1.33Å
CATNsing1.47Å1.50Å
N3C2doub1.33Å1.34ÅAromatic
N3C4sing1.33Å1.34ÅAromatic
C2N1sing1.32Å1.34ÅAromatic
NC4sing1.38Å1.34Å
NCAsing1.47Å1.50Å
C4C5doub1.40Å1.40ÅAromatic
N1C6doub1.33Å1.41ÅAromatic
CBCAsing1.53Å1.53Å
CBCGsing1.51Å1.40Å
CACsing1.51Å1.41Å
CD1CGdoub1.38Å1.40ÅAromatic
CD1CE1sing1.39Å1.38ÅAromatic
C5C6sing1.38Å1.40ÅAromatic
C5NABsing1.40Å1.36Å
CGND2sing1.32Å1.34ÅAromatic
CNABsing1.35Å1.36Å
COdoub1.21Å1.24Å
CE1CZdoub1.39Å1.38ÅAromatic
NABCAAsing1.47Å1.49Å
ND2CE2doub1.32Å1.40ÅAromatic
CZCE2sing1.38Å1.39ÅAromatic
C6H1sing1.08Å1.08Å
CAUH2sing1.09Å1.10Å
CAUH3sing1.09Å1.10Å
CAVH4sing1.09Å1.10Å
CAVH5sing1.09Å1.10Å
CAWH6sing1.09Å1.10Å
CAWH7sing1.09Å1.10Å
CAXH8sing1.09Å1.10Å
CAXH9sing1.09Å1.10Å
CATH10sing1.09Å1.10Å
NAGH11sing0.97Å1.00Å
CAIH12sing1.08Å1.08Å
OAMH13sing0.97Å0.95Å
CAPH14sing1.08Å1.08Å
CAAH15sing1.09Å1.10Å
CAAH16sing1.09Å1.10Å
CAAH17sing1.09Å1.10Å
CAH18sing1.09Å1.10Å
CBH19sing1.09Å1.10Å
CBH20sing1.09Å1.10Å
CE2H21sing1.08Å1.08Å
CZH22sing1.08Å1.08Å
CE1H23sing1.08Å1.08Å
CD1H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAMCALCAN119.1°120.0°
OAMCALCAJ119.0°120.0°
CALOAMH13109.5°114.0°
CLAOCANCAL119.9°120.0°
CLAOCANCAP120.9°120.0°
CANCALCAJ121.9°120.0°
CALCANCAP119.2°120.0°
CALCAJCLAK117.6°120.0°
CALCAJCAI118.3°120.0°
CLAKCAJCAI124.0°120.0°
CANCAPCAH120.8°120.0°
CANCAPH14119.6°120.0°
CAJCAICAH120.5°120.0°
CAJCAIH12119.7°120.0°
CAPCAHCAI119.1°120.0°
CAPCAHNAG115.0°120.0°
CAHCAPH14119.6°120.0°
CAICAHNAG125.8°120.0°
CAHCAIH12119.8°120.0°
CAVCAWCAX103.3°106.6°
CAWCAVCAU102.5°104.2°
CAWCAVH4111.2°110.5°
CAWCAVH5111.2°110.6°
CAVCAWH6111.0°110.1°
CAVCAWH7111.0°110.1°
CAWCAXCAT104.0°106.6°
CAXCAWH6111.0°110.0°
CAXCAWH7111.0°110.0°
CAWCAXH8110.8°110.0°
CAWCAXH9110.9°110.1°
CAVCAUCAT105.0°102.7°
CAVCAUH2110.6°110.7°
CAVCAUH3110.6°110.9°
CAUCAVH4111.2°110.5°
CAUCAVH5111.2°110.5°
CAHNAGC2124.0°120.0°
CAHNAGH11118.0°120.0°
CAXCATCAU106.0°104.2°
CAXCATN111.7°110.5°
CATCAXH8110.8°110.0°
CATCAXH9110.8°110.0°
CAXCATH10108.5°110.5°
CAUCATN113.4°110.5°
CATCAUH2110.6°110.8°
CATCAUH3110.6°110.8°
CAUCATH10108.3°110.5°
NAGC2N3121.1°119.0°
NAGC2N1118.4°119.0°
C2NAGH11118.0°119.9°
CATNC4118.9°111.0°
CATNCA122.7°111.0°
NCATH10108.8°110.6°
C2N3C4122.3°120.4°
N3C2N1120.5°122.0°
N3C4N119.1°120.6°
N3C4C5120.4°118.9°
C2N1C6119.9°120.9°
C4NCA118.4°112.2°
NC4C5120.5°120.5°
NCACB108.4°109.3°
NCAC112.7°110.3°
NCAH18108.9°109.3°
C4C5C6117.6°119.0°
C4C5NAB120.0°120.0°
N1C6C5119.3°118.8°
N1C6H1120.4°120.6°
CACBCG113.2°109.5°
CBCAC108.3°109.3°
CBCAH18108.4°109.2°
CACBH19108.5°109.5°
CACBH20108.5°109.5°
CBCGCD1121.1°119.7°
CBCGND2118.6°119.6°
CGCBH19108.5°109.5°
CGCBH20108.5°109.5°
CACNAB120.7°119.4°
CACO119.3°120.3°
CCAH18110.0°109.3°
CGCD1CE1120.1°119.2°
CD1CGND2120.4°120.7°
CGCD1H24119.9°120.4°
CD1CE1CZ120.0°118.4°
CD1CE1H23120.0°120.8°
CE1CD1H24119.9°120.4°
C6C5NAB122.3°121.1°
C5C6H1120.4°120.7°
C5NABC120.8°118.6°
C5NABCAA118.9°120.7°
CGND2CE2120.1°121.7°
NABCO119.9°120.3°
CNABCAA119.6°120.7°
CE1CZCE2119.2°119.2°
CE1CZH22120.4°120.4°
CZCE1H23120.0°120.8°
NABCAAH15109.5°109.5°
NABCAAH16109.5°109.5°
NABCAAH17109.5°109.5°
ND2CE2CZ120.3°120.7°
ND2CE2H21119.8°119.6°
CZCE2H21119.9°119.6°
CE2CZH22120.4°120.4°
H2CAUH3109.5°110.7°
H4CAVH5109.5°110.4°
H6CAWH7109.5°110.0°
H8CAXH9109.5°110.1°
H15CAAH16109.5°109.5°
H15CAAH17109.4°109.5°
H16CAAH17109.5°109.4°
H19CBH20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAMCALCANCLAO0.3°0.3°
OAMCALCANCAJ179.7°179.7°
OAMCALCAJCLAK0.1°0.3°
OAMCALCANCAP179.6°179.9°
OAMCALCAJCAI180.0°179.8°
CLAOCANCALCAP179.9°179.7°
CLAOCANCALCAJ180.0°180.0°
CLAOCANCAPCAH179.7°179.8°
CLAOCANCAPH140.2°0.3°
CANCALCAJCLAK179.8°180.0°
CANCALCAJCAI0.3°0.0°
CALCANCAPCAH0.2°0.5°
CANCALOAMH13180.0°90.0°
CALCANCAPH14179.9°180.0°
CALCAJCLAKCAI179.9°180.0°
CAJCALCANCAP0.1°0.3°
CALCAJCAICAH0.9°0.0°
CALCAJCAIH12179.1°180.0°
CAJCALOAMH130.3°89.7°
CLAKCAJCAICAH179.2°180.0°
CLAKCAJCAIH120.8°0.0°
CANCAPCAHH14180.0°179.4°
CANCAPCAHCAI0.8°0.5°
CANCAPCAHNAG179.7°179.7°
CAJCAICAHCAP1.1°0.2°
CAJCAICAHH12180.0°180.0°
CAJCAICAHNAG179.9°180.0°
CAPCAHCAINAG178.8°179.7°
CAPCAHNAGC2160.8°146.6°
CAPCAHNAGH1119.2°33.4°
CAPCAHCAIH12178.9°179.7°
CAICAHNAGC220.4°33.7°
CAICAHNAGH11159.6°146.4°
CAICAHCAPH14179.3°180.0°
CAVCAWCAXH6119.0°119.4°
CAVCAWCAXH7119.0°119.3°
CAWCAVCAUH4118.9°118.7°
CAWCAVCAUH5118.9°118.9°
CAVCAWCAXCAT37.6°0.0°
CAWCAVCAUCAT33.5°37.9°
CAWCAVCAUH285.7°80.4°
CAWCAVCAUH3152.8°156.3°
CAWCAVH4H5123.2°122.7°
CAVCAWH6H7122.8°121.5°
CAVCAWCAXH881.5°119.3°
CAVCAWCAXH9156.7°119.2°
CAXCAWCAVCAU44.5°23.6°
CAWCAXCATH8119.1°119.2°
CAWCAXCATH9119.1°119.3°
CAWCAXCATCAU16.5°23.6°
CAWCAXCATN107.5°142.3°
CAXCAWCAVH4163.4°95.1°
CAXCAWCAVH574.4°142.3°
CAXCAWH6H7122.9°121.3°
CAWCAXH8H9122.6°121.5°
CAWCAXCATH10132.6°95.1°
CAVCAUCATCAX10.7°37.9°
CAVCAUCATH2119.3°118.3°
CAVCAUCATH3119.3°118.4°
CAVCAUCATN133.6°156.6°
CAVCAUH2H3122.1°123.4°
CAUCAVH4H5123.2°122.5°
CAUCAVCAWH6163.5°142.9°
CAUCAVCAWH774.5°95.6°
CAVCAUCATH10105.6°80.7°
CAHNAGC2H11180.0°180.0°
CAHNAGC2N311.3°174.4°
CAHNAGC2N1169.2°5.6°
NAGCAHCAIH120.1°0.0°
NAGCAHCAPH140.4°0.3°
CAXCATCAUN123.0°118.7°
CAXCATCAUH10116.3°118.6°
CAXCATNH10119.8°122.6°
CAXCATNC474.5°175.2°
CAXCATNCA104.9°49.6°
CAXCATCAUH2108.6°80.4°
CAXCATCAUH3129.9°156.4°
CATCAXCAWH6156.6°119.3°
CATCAXCAWH781.4°119.3°
CATCAXH8H9122.5°121.4°
CAUCATNH10120.5°122.7°
CAUCATNC4165.8°70.1°
CAUCATNCA14.8°164.4°
CATCAUH2H3122.1°123.3°
CATCAUCAVH4152.4°80.8°
CATCAUCAVH585.3°156.8°
CAUCATCAXH8102.6°142.9°
CAUCATCAXH9135.7°95.7°
NAGC2N3N1179.5°180.0°
NAGC2N3C4179.6°180.0°
NAGC2N1C6180.0°179.6°
CATNC4N316.5°20.8°
CATNC4CA179.4°124.9°
CATNC4C5165.1°160.5°
CATNCACB89.1°54.3°
CATNCAC151.0°174.6°
NCATCAUH214.4°38.3°
NCATCAUH3107.1°85.0°
NCATCAXH8133.4°98.5°
NCATCAXH911.6°23.0°
CATNCAH1828.6°65.2°
C2N3C4N179.9°177.9°
C2N3C4C51.8°0.8°
N3C2N1C60.5°0.5°
N3C2NAGH11168.7°5.6°
C4N3C2N11.0°0.0°
N3C4NC5178.4°178.7°
N3C4NCA162.9°145.7°
N3C4C5C62.0°1.2°
N3C4C5NAB178.3°177.7°
C2N1C6C50.8°0.0°
C2N1C6H1179.1°180.0°
N1C2NAGH1110.8°174.4°
C4NCACB90.2°70.5°
C4NCAC29.7°49.7°
NC4C5C6179.6°177.5°
NC4C5NAB3.3°3.6°
C4NCATH1045.3°52.6°
C4NCAH18152.0°170.0°
CANC4C515.5°35.7°
NCACBC122.6°120.8°
NCACBH18118.0°119.6°
NCACBCG173.9°175.5°
NCACH18121.7°120.2°
NCACNAB26.8°36.5°
NCACO156.9°143.5°
CANCATH10135.3°73.0°
NCACBH1965.5°64.5°
NCACBH2053.4°55.5°
C4C5C6N11.6°0.8°
C4C5C6NAB176.2°178.9°
C4C5NABC6.9°12.2°
C4C5NABCAA163.6°167.8°
C4C5C6H1178.4°179.2°
N1C6C5H1180.0°180.0°
N1C6C5NAB177.8°178.1°
CACBCGH19120.5°120.0°
CACBCGH20120.5°120.0°
CBCACH18118.4°119.5°
CACBCGCD168.3°123.6°
CACBCGND2112.9°56.1°
CBCACNAB93.2°83.8°
CBCACO83.2°96.3°
CACBH19H20118.3°120.0°
CGCBCAC63.4°63.7°
CBCGCD1ND2178.7°179.7°
CBCGCD1CE1179.3°179.7°
CBCGND2CE2179.5°180.0°
CGCBCAH1855.9°55.9°
CGCBH19H20118.3°120.0°
CBCGCD1H240.8°0.0°
CACNABC59.7°5.7°
CACNABO176.3°180.0°
CACNABCAA179.9°174.2°
CCACBH1957.1°56.3°
CCACBH20176.0°176.3°
CGCD1CE1H24180.0°179.7°
CGCD1CE1CZ0.1°0.6°
CD1CGND2CE20.7°0.3°
CD1CGCBH19171.1°3.6°
CD1CGCBH2052.2°116.4°
CGCD1CE1H23179.9°179.8°
CE1CD1CGND20.5°0.6°
CD1CE1CZH23180.0°179.7°
CD1CE1CZCE20.5°0.3°
CD1CE1CZH22179.5°179.7°
C6C5NABC177.0°166.6°
C6C5NABCAA12.5°13.3°
C5NABCCAA170.4°179.9°
C5NABCO174.0°174.3°
NABC5C6H12.2°1.9°
C5NABCAAH15180.0°90.0°
C5NABCAAH1660.0°150.0°
C5NABCAAH1760.0°30.1°
CGND2CE2CZ0.3°0.0°
ND2CGCBH197.6°176.1°
ND2CGCBH20126.5°63.9°
CGND2CE2H21179.7°180.0°
ND2CGCD1H24179.5°179.7°
CNABCAAH159.4°89.9°
CNABCAAH16110.6°30.1°
CNABCAAH17129.4°150.0°
NABCCAH18148.5°156.7°
OCNABCAA3.6°5.8°
OCCAH1835.2°23.3°
CE1CZCE2ND20.3°0.0°
CE1CZCE2H22180.0°180.0°
CE1CZCE2H21179.7°180.0°
CZCE1CD1H24179.9°179.7°
NABCAAH15H16120.0°120.0°
NABCAAH15H17120.0°120.0°
NABCAAH16H17120.0°120.0°
ND2CE2CZH21180.0°180.0°
ND2CE2CZH22179.7°180.0°
CE2CZCE1H23179.5°180.0°
H2CAUCAVH433.2°160.9°
H2CAUCAVH5155.4°38.5°
H2CAUCATH10135.1°161.0°
H3CAUCAVH488.3°37.6°
H3CAUCAVH534.0°84.8°
H3CAUCATH1013.7°37.7°
H4CAVCAWH677.6°24.2°
H4CAVCAWH744.4°145.7°
H5CAVCAWH644.6°98.4°
H5CAVCAWH7166.6°23.1°
H6CAWCAXH837.5°0.1°
H6CAWCAXH984.3°121.4°
H7CAWCAXH8159.5°121.4°
H7CAWCAXH937.7°0.1°
H8CAXCATH1013.5°24.2°
H9CAXCATH10108.3°145.7°
H15CAAH16H17119.9°120.0°
H18CACBH19176.5°175.9°
H18CACBH2064.6°64.1°
H21CE2CZH220.3°0.0°
H22CZCE1H230.5°0.1°
H23CE1CD1H240.1°0.1°

255615

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