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AR1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAOAdoub1.21Å1.23Å
CAN1sing1.35Å1.34Å
CAHAsing1.08Å1.09Å
N1C11sing1.40Å1.43Å
N1HN1sing0.97Å1.00Å
C11N21sing1.33Å1.34ÅAromatic
C11C51doub1.36Å1.35ÅAromatic
N21C31doub1.32Å1.35ÅAromatic
C31N41sing1.37Å1.37ÅAromatic
C31C1sing1.47Å1.48Å
N41CN1sing1.47Å1.47Å
N41C51sing1.36Å1.37ÅAromatic
CN1HN11sing1.09Å1.09Å
CN1HN12sing1.09Å1.09Å
CN1HN13sing1.09Å1.09Å
C51H51sing1.08Å1.08Å
C1O1doub1.22Å1.23Å
C1N2sing1.35Å1.35Å
N2C12sing1.40Å1.43Å
N2HN2sing0.97Å1.00Å
C12N22sing1.33Å1.35ÅAromatic
C12C52doub1.36Å1.34ÅAromatic
N22C32doub1.32Å1.34ÅAromatic
C32N42sing1.37Å1.37ÅAromatic
C32C2sing1.47Å1.47Å
N42CN2sing1.46Å1.46Å
N42C52sing1.36Å1.37ÅAromatic
CN2HN21sing1.09Å1.09Å
CN2HN22sing1.09Å1.09Å
CN2HN23sing1.09Å1.09Å
C52H52sing1.08Å1.08Å
C2O2doub1.22Å1.23Å
C2N3sing1.35Å1.35Å
N3C13sing1.40Å1.44Å
N3HN3sing0.97Å1.00Å
C13N23sing1.33Å1.35ÅAromatic
C13C53doub1.36Å1.35ÅAromatic
N23C33doub1.32Å1.34ÅAromatic
C33N43sing1.37Å1.37ÅAromatic
C33C3sing1.47Å1.46Å
N43CN3sing1.46Å1.47Å
N43C53sing1.36Å1.36ÅAromatic
CN3HN31sing1.09Å1.09Å
CN3HN32sing1.09Å1.09Å
CN3HN33sing1.09Å1.09Å
C53H53sing1.08Å1.07Å
C3O3doub1.22Å1.23Å
C3NTsing1.35Å1.35Å
NTC1Tsing1.47Å1.46Å
NTHTsing0.97Å1.01Å
C1TC2Tsing1.53Å1.56Å
C1TH1T1sing1.09Å1.10Å
C1TH1T2sing1.09Å1.12Å
C2TN3Tsing1.47Å1.49Å
C2TH2T1sing1.09Å1.12Å
C2TH2T2sing1.09Å1.12Å
N3TCNTsing1.47Å1.47Å
N3TCMTsing1.47Å1.48Å
N3THNTsing1.01Å1.00Å
CNTHNT1sing1.09Å1.09Å
CNTHNT2sing1.09Å1.10Å
CNTHNT3sing1.09Å1.09Å
CMTHMT1sing1.09Å1.09Å
CMTHMT2sing1.09Å1.10Å
CMTHMT3sing1.09Å1.09Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OACAN1125.4°120.0°
OACAHA120.1°120.0°
N1CAHA114.4°120.0°
CAN1C11125.3°120.0°
CAN1HN1116.3°120.0°
C11N1HN1118.3°120.0°
N1C11N21123.8°125.9°
N1C11C51128.0°125.9°
N21C11C51107.9°108.3°
C11N21C31109.4°109.2°
C11C51N41108.1°107.0°
C11C51H51125.9°126.5°
N21C31N41107.3°108.5°
N21C31C1125.2°125.7°
N41C31C1127.5°125.8°
C31N41CN1126.6°126.5°
C31N41C51107.4°107.1°
C31C1O1120.6°120.0°
C31C1N2115.0°120.0°
CN1N41C51126.0°126.4°
N41CN1HN11109.3°109.5°
N41CN1HN12110.0°109.4°
N41CN1HN13109.7°109.5°
N41C51H51125.7°126.6°
HN11CN1HN12109.2°109.4°
HN11CN1HN13109.3°109.5°
HN12CN1HN13109.3°109.5°
O1C1N2123.9°120.0°
C1N2C12126.4°120.0°
C1N2HN2117.8°120.0°
C12N2HN2115.4°120.0°
N2C12N22124.3°125.9°
N2C12C52127.6°125.8°
N22C12C52107.9°108.3°
C12N22C32109.9°109.2°
C12C52N42107.7°107.0°
C12C52H52126.1°126.5°
N22C32N42106.3°108.5°
N22C32C2124.9°125.8°
N42C32C2127.9°125.8°
C32N42CN2126.5°126.5°
C32N42C52108.2°107.1°
C32C2O2119.0°120.0°
C32C2N3117.7°120.0°
CN2N42C52125.3°126.4°
N42CN2HN21109.0°109.5°
N42CN2HN22109.3°109.5°
N42CN2HN23109.5°109.4°
N42C52H52126.2°126.6°
HN21CN2HN22109.9°109.5°
HN21CN2HN23109.4°109.4°
HN22CN2HN23109.8°109.5°
O2C2N3122.9°120.0°
C2N3C13124.5°120.0°
C2N3HN3119.2°120.0°
C13N3HN3116.0°120.0°
N3C13N23125.6°125.9°
N3C13C53127.3°125.9°
N23C13C53106.9°108.2°
C13N23C33109.6°109.2°
C13C53N43108.8°107.0°
C13C53H53126.4°126.5°
N23C33N43107.3°108.5°
N23C33C3126.9°125.8°
N43C33C3125.6°125.8°
C33N43CN3126.9°126.4°
C33N43C53107.4°107.1°
C33C3O3118.3°120.0°
C33C3NT118.5°120.0°
CN3N43C53125.7°126.4°
N43CN3HN31109.0°109.5°
N43CN3HN32109.8°109.5°
N43CN3HN33109.7°109.4°
N43C53H53124.7°126.5°
HN31CN3HN32109.3°109.5°
HN31CN3HN33109.4°109.5°
HN32CN3HN33109.7°109.4°
O3C3NT122.9°120.0°
C3NTC1T120.9°120.0°
C3NTHT120.9°120.0°
C1TNTHT117.9°120.0°
NTC1TC2T111.2°109.5°
NTC1TH1T1106.0°109.5°
NTC1TH1T2106.2°109.4°
C2TC1TH1T1107.0°109.5°
C2TC1TH1T2115.5°109.5°
C1TC2TN3T109.4°109.4°
C1TC2TH2T1110.0°109.5°
C1TC2TH2T2105.2°109.4°
H1T1C1TH1T2110.5°109.5°
N3TC2TH2T1111.2°109.5°
N3TC2TH2T2110.0°109.5°
C2TN3TCNT115.7°109.5°
C2TN3TCMT114.8°109.4°
C2TN3THNT105.2°109.5°
H2T1C2TH2T2110.8°109.5°
CNTN3TCMT111.3°109.5°
CNTN3THNT103.3°109.5°
N3TCNTHNT1111.0°109.5°
N3TCNTHNT2109.2°109.4°
N3TCNTHNT3111.7°109.5°
CMTN3THNT105.1°109.5°
N3TCMTHMT1111.5°109.5°
N3TCMTHMT2110.4°109.5°
N3TCMTHMT3110.3°109.5°
HNT1CNTHNT2107.5°109.5°
HNT1CNTHNT3109.2°109.5°
HNT2CNTHNT3108.2°109.5°
HMT1CMTHMT2108.4°109.5°
HMT1CMTHMT3108.7°109.5°
HMT2CMTHMT3107.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OACAN1HA176.6°180.0°
OACAN1C112.3°0.0°
OACAN1HN1177.7°180.0°
CAN1C11HN1175.3°180.0°
CAN1C11N21173.4°180.0°
CAN1C11C510.7°0.0°
HACAN1C11174.3°180.0°
HACAN1HN11.2°0.0°
N1C11N21C51175.1°180.0°
N1C11N21C31174.1°179.7°
N1C11C51N41173.4°180.0°
N1C11C51H5113.4°0.0°
HN1N1C11N212.0°0.0°
HN1N1C11C51176.1°180.0°
C11N21C31N410.1°0.4°
C11N21C31C1177.5°180.0°
N21C11C51N411.5°0.0°
N21C11C51H51171.8°180.0°
C51C11N21C311.0°0.2°
C11C51N41C311.4°0.2°
C11C51N41CN1177.6°180.0°
C11C51N41H51173.3°180.0°
N21C31N41C1177.6°179.6°
N21C31N41CN1178.2°179.9°
N21C31N41C510.8°0.4°
N21C31C1O1172.6°180.0°
N21C31C1N215.5°0.0°
C31N41CN1C51178.9°179.7°
C31N41CN1HN1167.5°90.2°
C31N41CN1HN12172.7°29.7°
C31N41CN1HN1352.4°149.7°
C31N41C51H51171.9°179.8°
N41C31C1O14.6°0.5°
N41C31C1N2167.3°179.5°
C1C31N41CN10.7°0.3°
C1C31N41C51178.4°180.0°
C31C1O1N2171.1°180.0°
C31C1N2C12172.6°180.0°
C31C1N2HN20.5°0.0°
N41CN1HN11HN12120.3°119.9°
N41CN1HN11HN13120.1°120.0°
N41CN1HN12HN13120.5°120.0°
CN1N41C51H519.1°0.0°
C51N41CN1HN11111.4°90.1°
C51N41CN1HN128.5°150.0°
C51N41CN1HN13128.8°30.0°
HN11CN1HN12HN13119.5°120.0°
O1C1N2C121.0°0.1°
O1C1N2HN2172.1°180.0°
C1N2C12HN2173.3°179.9°
C1N2C12N22172.1°179.7°
C1N2C12C5212.7°0.1°
N2C12N22C52176.0°179.8°
N2C12N22C32175.3°179.8°
N2C12C52N42175.4°180.0°
N2C12C52H527.1°0.0°
HN2N2C12N221.2°0.3°
HN2N2C12C52174.1°180.0°
C12N22C32N420.6°0.4°
C12N22C32C2169.8°179.8°
N22C12C52N420.5°0.3°
N22C12C52H52177.0°179.8°
C52C12N22C320.7°0.4°
C12C52N42C320.1°0.0°
C12C52N42CN2178.7°180.0°
C12C52N42H52177.5°179.9°
N22C32N42C2170.0°179.8°
N22C32N42CN2178.2°179.7°
N22C32N42C520.3°0.2°
N22C32C2O2163.4°179.7°
N22C32C2N322.9°0.2°
C32N42CN2C52178.3°179.9°
C32N42CN2HN2152.8°90.0°
C32N42CN2HN2267.3°30.1°
C32N42CN2HN23172.4°150.0°
C32N42C52H52177.4°180.0°
N42C32C2O25.0°0.1°
N42C32C2N3168.7°180.0°
C2C32N42CN211.8°0.1°
C2C32N42C52169.7°180.0°
C32C2O2N3173.4°179.9°
C32C2N3C13175.4°180.0°
C32C2N3HN31.8°0.1°
N42CN2HN21HN22119.7°120.0°
N42CN2HN21HN23119.7°119.9°
N42CN2HN22HN23120.1°120.0°
CN2N42C52H521.1°0.1°
C52N42CN2HN21125.5°89.9°
C52N42CN2HN22114.4°150.0°
C52N42CN2HN235.9°30.0°
HN21CN2HN22HN23120.4°120.0°
O2C2N3C132.0°0.1°
O2C2N3HN3171.6°180.0°
C2N3C13HN3173.8°179.9°
C2N3C13N23170.9°179.8°
C2N3C13C5315.4°0.0°
N3C13N23C53174.8°179.8°
N3C13N23C33174.9°179.9°
N3C13C53N43174.0°180.0°
N3C13C53H538.7°0.0°
HN3N3C13N232.9°0.3°
HN3N3C13C53170.8°179.9°
C13N23C33N430.9°0.3°
C13N23C33C3174.0°179.9°
N23C13C53N430.7°0.1°
N23C13C53H53176.6°179.8°
C53C13N23C330.1°0.3°
C13C53N43C331.2°0.1°
C13C53N43CN3176.5°179.9°
C13C53N43H53177.4°179.9°
N23C33N43C3175.0°179.8°
N23C33N43CN3176.4°179.8°
N23C33N43C531.3°0.2°
N23C33C3O3175.8°179.8°
N23C33C3NT2.5°0.2°
C33N43CN3C53177.3°180.0°
C33N43CN3HN3156.7°90.0°
C33N43CN3HN32176.4°30.0°
C33N43CN3HN3363.0°150.0°
C33N43C53H53176.1°180.0°
N43C33C3O31.8°0.0°
N43C33C3NT171.6°180.0°
C3C33N43CN38.6°0.1°
C3C33N43C53173.7°179.9°
C33C3O3NT173.0°180.0°
C33C3NTC1T172.9°180.0°
C33C3NTHT0.9°0.1°
N43CN3HN31HN32120.0°120.0°
N43CN3HN31HN33119.9°120.0°
N43CN3HN32HN33120.6°119.9°
CN3N43C53H536.1°0.0°
C53N43CN3HN31120.6°90.0°
C53N43CN3HN320.9°150.0°
C53N43CN3HN33119.6°30.0°
HN31CN3HN32HN33119.9°120.0°
O3C3NTC1T0.1°0.1°
O3C3NTHT173.9°180.0°
C3NTC1THT173.9°179.9°
C3NTC1TC2T80.9°180.0°
C3NTC1TH1T135.0°59.9°
C3NTC1TH1T2152.6°60.0°
NTC1TC2TH1T1115.3°120.0°
NTC1TC2TH1T2121.1°120.0°
NTC1TH1T1H1T2114.7°119.9°
NTC1TC2TN3T96.6°180.0°
NTC1TC2TH2T1141.0°60.0°
NTC1TC2TH2T221.6°60.0°
HTNTC1TC2T105.1°0.1°
HTNTC1TH1T1138.9°120.0°
HTNTC1TH1T221.3°120.1°
C2TC1TH1T1H1T2126.6°120.1°
C1TC2TN3TH2T1121.7°120.0°
C1TC2TN3TH2T2115.1°119.9°
C1TC2TH2T1H2T2115.9°120.0°
C1TC2TN3TCNT148.0°65.0°
C1TC2TN3TCMT80.2°175.0°
C1TC2TN3THNT34.8°55.0°
H1T1C1TC2TN3T18.8°60.0°
H1T1C1TC2TH2T1103.7°180.0°
H1T1C1TC2TH2T2136.9°60.0°
H1T2C1TC2TN3T142.3°60.0°
H1T2C1TC2TH2T119.9°59.9°
H1T2C1TC2TH2T299.5°180.0°
N3TC2TH2T1H2T2122.7°120.0°
C2TN3TCNTCMT133.4°120.0°
C2TN3TCNTHNT114.3°120.1°
C2TN3TCMTHNT115.0°120.0°
C2TN3TCNTHNT149.6°180.0°
C2TN3TCNTHNT2167.9°60.0°
C2TN3TCNTHNT372.6°60.0°
C2TN3TCMTHMT150.3°60.0°
C2TN3TCMTHMT2170.9°180.0°
C2TN3TCMTHMT370.6°60.0°
H2T1C2TN3TCNT90.3°54.9°
H2T1C2TN3TCMT41.5°65.0°
H2T1C2TN3THNT156.5°175.0°
H2T2C2TN3TCNT32.9°175.0°
H2T2C2TN3TCMT164.7°55.0°
H2T2C2TN3THNT80.3°64.9°
CNTN3TCMTHNT111.1°120.0°
N3TCNTHNT1HNT2119.3°120.0°
N3TCNTHNT1HNT3123.6°120.1°
N3TCNTHNT2HNT3121.7°120.0°
CNTN3TCMTHMT183.6°180.0°
CNTN3TCMTHMT237.0°60.0°
CNTN3TCMTHMT3155.5°60.0°
CMTN3TCNTHNT1177.0°60.0°
CMTN3TCNTHNT258.7°180.0°
CMTN3TCNTHNT360.8°60.0°
N3TCMTHMT1HMT2121.8°120.0°
N3TCMTHMT1HMT3121.8°120.0°
N3TCMTHMT2HMT3120.3°120.0°
HNTN3TCNTHNT164.7°59.9°
HNTN3TCNTHNT253.5°60.0°
HNTN3TCNTHNT3173.1°180.0°
HNTN3TCMTHMT1165.3°60.0°
HNTN3TCMTHMT274.1°60.0°
HNTN3TCMTHMT344.4°180.0°
HNT1CNTHNT2HNT3117.8°120.0°
HMT1CMTHMT2HMT3117.2°120.0°

221051

PDB entries from 2024-06-12

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