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D76

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CZ7NZ2sing1.47Å1.47Å
CZ7HZ71sing1.09Å1.11Å
CZ7HZ72sing1.09Å1.11Å
CZ7HZ73sing1.09Å1.12Å
NZ2CZ3sing1.47Å1.50Å
NZ2CZ4sing1.47Å1.51Å
CZ3CZ2sing1.49Å1.53Å
CZ3HZ31sing1.09Å1.11Å
CZ3HZ32sing1.09Å1.11Å
CZ4CZ5sing1.53Å1.55Å
CZ4HZ41sing1.09Å1.11Å
CZ4HZ42sing1.09Å1.11Å
CZ5CZ6sing1.53Å1.53Å
CZ5HZ51sing1.09Å1.11Å
CZ5HZ52sing1.09Å1.11Å
CZ6CZ2doub1.37Å1.37ÅAromatic
CZ6NZ1sing1.32Å1.37ÅAromatic
CZ2SZ1sing1.72Å1.71ÅAromatic
NZ1CZ1doub1.33Å1.35ÅAromatic
CZ1SZ1sing1.79Å1.71ÅAromatic
CZ1CC1sing1.47Å1.53Å
CC1OC1doub1.22Å1.25Å
CC1NP2sing1.35Å1.36Å
NP2CP3sing1.47Å1.50Å
NP2CP2sing1.47Å1.52Å
CP3CP4sing1.53Å1.53Å
CP3HP31sing1.09Å1.11Å
CP3HP32sing1.09Å1.12Å
CP4NP1sing1.47Å1.48Å
CP4HP41sing1.09Å1.12Å
CP4HP42sing1.09Å1.12Å
CP2CC2sing1.51Å1.57Å
CP2CP1sing1.53Å1.55Å
CP2HP2sing1.09Å1.12Å
CC2OC2doub1.21Å1.24Å
CC2NC2sing1.35Å1.32Å
NC2HC21sing0.97Å1.02Å
NC2HC22sing0.97Å1.02Å
CP1NP1sing1.47Å1.48Å
CP1HP11sing1.09Å1.11Å
CP1HP12sing1.09Å1.11Å
NP1S1sing1.66Å1.71Å
S1O1doub1.42Å1.59Å
S1O2doub1.42Å1.59Å
S1CN1sing1.76Å1.76Å
CN1CN2doub1.39Å1.39ÅAromatic
CN1C10sing1.36Å1.41ÅAromatic
CN2CN3sing1.36Å1.40ÅAromatic
CN2HN2sing1.08Å1.10Å
CN3CN4doub1.41Å1.41ÅAromatic
CN3HN3sing1.08Å1.10Å
CN4CN5sing1.41Å1.40ÅAromatic
CN4CN9sing1.42Å1.46ÅAromatic
CN5CN6doub1.36Å1.40ÅAromatic
CN5HN5sing1.08Å1.10Å
CN9C10doub1.41Å1.40ÅAromatic
CN9CN8sing1.41Å1.40ÅAromatic
C10H10sing1.08Å1.10Å
CN8CN7doub1.36Å1.40ÅAromatic
CN8HN8sing1.08Å1.10Å
CN7CN6sing1.39Å1.41ÅAromatic
CN7HN7sing1.08Å1.10Å
CN6CL1sing1.74Å1.77Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NZ2CZ7HZ71111.7°109.4°
NZ2CZ7HZ72110.9°109.5°
NZ2CZ7HZ73111.7°109.5°
CZ7NZ2CZ3110.9°106.7°
CZ7NZ2CZ4114.4°106.7°
HZ71CZ7HZ72111.7°109.5°
HZ71CZ7HZ7398.7°109.5°
HZ72CZ7HZ73111.6°109.5°
CZ3NZ2CZ4114.8°107.2°
NZ2CZ3CZ2112.4°108.6°
NZ2CZ3HZ31111.1°109.6°
NZ2CZ3HZ32111.1°109.6°
NZ2CZ4CZ5113.1°110.4°
NZ2CZ4HZ41110.9°109.3°
NZ2CZ4HZ42110.9°109.3°
CZ2CZ3HZ31111.1°109.6°
CZ2CZ3HZ32111.2°109.7°
CZ3CZ2CZ6125.8°126.6°
CZ3CZ2SZ1121.7°130.0°
HZ31CZ3HZ3299.2°109.8°
CZ5CZ4HZ41110.9°109.3°
CZ5CZ4HZ42110.8°109.3°
CZ4CZ5CZ6112.9°107.6°
CZ4CZ5HZ51111.0°109.8°
CZ4CZ5HZ52111.0°109.8°
HZ41CZ4HZ4299.5°109.2°
CZ6CZ5HZ51111.0°109.8°
CZ6CZ5HZ52110.9°109.9°
CZ5CZ6CZ2120.0°118.5°
CZ5CZ6NZ1125.4°124.1°
HZ51CZ5HZ5299.4°109.9°
CZ2CZ6NZ1114.6°117.4°
CZ6CZ2SZ1112.5°103.4°
CZ6NZ1CZ1108.6°120.9°
CZ2SZ1CZ187.9°97.0°
NZ1CZ1SZ1116.5°101.3°
NZ1CZ1CC1128.0°129.4°
SZ1CZ1CC1115.5°129.3°
CZ1CC1OC1116.8°120.0°
CZ1CC1NP2121.4°120.0°
OC1CC1NP2121.8°120.0°
CC1NP2CP3119.2°120.6°
CC1NP2CP2122.1°120.6°
CP3NP2CP2117.0°118.8°
NP2CP3CP4108.2°108.7°
NP2CP3HP31112.7°109.6°
NP2CP3HP32112.7°109.6°
NP2CP2CC2115.7°109.4°
NP2CP2CP1107.3°108.9°
NP2CP2HP2107.1°109.7°
CP4CP3HP31112.7°109.7°
CP4CP3HP32112.7°109.6°
CP3CP4NP1108.5°108.6°
CP3CP4HP41112.5°109.6°
CP3CP4HP42112.5°109.6°
HP31CP3HP3297.8°109.7°
NP1CP4HP41112.5°109.6°
NP1CP4HP42112.6°109.6°
CP4NP1CP1117.3°118.8°
CP4NP1S1119.2°120.6°
HP41CP4HP4297.9°109.8°
CC2CP2CP1110.5°109.6°
CC2CP2HP2103.7°109.6°
CP2CC2OC2124.2°120.0°
CP2CC2NC2119.9°120.0°
CP1CP2HP2112.6°109.6°
CP2CP1NP1108.6°108.7°
CP2CP1HP11112.5°109.6°
CP2CP1HP12112.6°109.5°
OC2CC2NC2115.9°120.0°
CC2NC2HC21119.9°120.0°
CC2NC2HC22116.0°120.0°
HC21NC2HC22124.1°120.1°
NP1CP1HP11112.5°109.6°
NP1CP1HP12112.5°109.6°
CP1NP1S1117.1°120.6°
HP11CP1HP1297.9°109.7°
NP1S1O1111.3°105.8°
NP1S1O2105.8°105.8°
NP1S1CN1101.4°107.4°
O1S1O2118.7°125.3°
O1S1CN1108.2°105.7°
O2S1CN1110.1°105.8°
S1CN1CN2118.9°119.5°
S1CN1C10118.2°119.5°
CN2CN1C10122.9°121.0°
CN1CN2CN3118.3°121.0°
CN1CN2HN2120.5°119.5°
CN1C10CN9119.9°119.6°
CN1C10H10120.3°120.2°
CN3CN2HN2121.2°119.5°
CN2CN3CN4120.9°119.6°
CN2CN3HN3119.3°120.2°
CN4CN3HN3119.8°120.2°
CN3CN4CN5121.1°121.3°
CN3CN4CN9120.2°119.4°
CN5CN4CN9118.7°119.4°
CN4CN5CN6120.8°119.6°
CN4CN5HN5119.6°120.2°
CN4CN9C10117.8°119.4°
CN4CN9CN8119.5°119.4°
CN6CN5HN5119.6°120.2°
CN5CN6CN7120.4°120.9°
CN5CN6CL1117.5°119.5°
C10CN9CN8122.7°121.2°
CN9C10H10119.8°120.2°
CN9CN8CN7120.4°119.6°
CN9CN8HN8119.7°120.1°
CN7CN8HN8119.9°120.2°
CN8CN7CN6120.1°121.0°
CN8CN7HN7119.7°119.5°
CN6CN7HN7120.2°119.5°
CN7CN6CL1122.0°119.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NZ2CZ7HZ71HZ72124.9°120.0°
NZ2CZ7HZ71HZ73117.6°120.0°
NZ2CZ7HZ72HZ73125.3°120.0°
CZ7NZ2CZ3CZ4131.7°114.0°
CZ7NZ2CZ3CZ2168.3°166.2°
CZ7NZ2CZ3HZ3143.1°74.0°
CZ7NZ2CZ3HZ3266.4°46.5°
CZ7NZ2CZ4CZ5175.6°170.7°
CZ7NZ2CZ4HZ4150.3°69.0°
CZ7NZ2CZ4HZ4259.1°50.4°
HZ71CZ7HZ72HZ73109.4°120.0°
HZ71CZ7NZ2CZ354.7°54.4°
HZ71CZ7NZ2CZ4173.4°60.0°
HZ72CZ7NZ2CZ3180.0°65.7°
HZ72CZ7NZ2CZ448.1°179.9°
HZ73CZ7NZ2CZ354.7°174.3°
HZ73CZ7NZ2CZ477.1°60.0°
NZ2CZ3CZ2HZ31125.2°119.7°
NZ2CZ3CZ2HZ32125.2°119.7°
NZ2CZ3HZ31HZ32117.0°120.4°
CZ3NZ2CZ4CZ554.4°75.2°
CZ3NZ2CZ4HZ41179.7°45.0°
CZ3NZ2CZ4HZ4270.8°164.5°
NZ2CZ3CZ2CZ69.9°17.2°
NZ2CZ3CZ2SZ1170.6°162.6°
CZ4NZ2CZ3CZ236.7°52.2°
CZ4NZ2CZ3HZ3188.6°171.9°
CZ4NZ2CZ3HZ32162.0°67.6°
NZ2CZ4CZ5HZ41125.3°120.2°
NZ2CZ4CZ5HZ42125.3°120.3°
NZ2CZ4HZ41HZ42116.8°119.5°
NZ2CZ4CZ5CZ642.6°54.1°
NZ2CZ4CZ5HZ5182.7°173.6°
NZ2CZ4CZ5HZ52167.8°65.5°
CZ2CZ3HZ31HZ32117.1°120.5°
CZ3CZ2CZ6CZ50.2°0.4°
CZ3CZ2CZ6SZ1179.5°179.8°
CZ3CZ2CZ6NZ1179.8°179.6°
CZ3CZ2SZ1CZ1179.7°179.6°
HZ31CZ3CZ2CZ6115.4°137.0°
HZ31CZ3CZ2SZ164.1°42.8°
HZ32CZ3CZ2CZ6135.1°102.4°
HZ32CZ3CZ2SZ145.4°77.8°
CZ5CZ4HZ41HZ42116.7°119.5°
CZ4CZ5CZ6HZ51125.3°119.5°
CZ4CZ5CZ6HZ52125.3°119.6°
CZ4CZ5HZ51HZ52116.9°120.9°
CZ4CZ5CZ6CZ216.4°16.8°
CZ4CZ5CZ6NZ1163.6°163.2°
HZ41CZ4CZ5CZ6167.8°66.1°
HZ41CZ4CZ5HZ5142.6°53.4°
HZ41CZ4CZ5HZ5266.9°174.3°
HZ42CZ4CZ5CZ682.7°174.4°
HZ42CZ4CZ5HZ51152.0°66.1°
HZ42CZ4CZ5HZ5242.6°54.8°
CZ6CZ5HZ51HZ52116.8°121.0°
CZ5CZ6CZ2NZ1180.0°180.0°
CZ5CZ6CZ2SZ1179.7°179.8°
CZ5CZ6NZ1CZ1179.7°179.8°
HZ51CZ5CZ6CZ2108.8°136.3°
HZ51CZ5CZ6NZ171.1°43.7°
HZ52CZ5CZ6CZ2141.7°102.7°
HZ52CZ5CZ6NZ138.3°77.3°
CZ2CZ6NZ1CZ10.3°0.2°
CZ6CZ2SZ1CZ10.1°0.2°
NZ1CZ6CZ2SZ10.3°0.2°
CZ6NZ1CZ1SZ10.2°0.1°
CZ6NZ1CZ1CC1179.5°180.0°
CZ2SZ1CZ1NZ10.0°0.1°
CZ2SZ1CZ1CC1179.4°179.9°
NZ1CZ1SZ1CC1179.4°180.0°
NZ1CZ1CC1OC1178.6°41.6°
NZ1CZ1CC1NP22.2°138.3°
SZ1CZ1CC1OC12.1°138.4°
SZ1CZ1CC1NP2177.1°41.7°
CZ1CC1OC1NP2179.2°179.9°
CZ1CC1NP2CP3169.2°174.0°
CZ1CC1NP2CP24.2°6.3°
OC1CC1NP2CP311.6°6.1°
OC1CC1NP2CP2176.6°173.6°
CC1NP2CP3CP2165.8°179.7°
CC1NP2CP3CP4109.1°124.7°
CC1NP2CP3HP3116.1°115.5°
CC1NP2CP3HP32125.6°5.0°
CC1NP2CP2CC2126.6°115.4°
CC1NP2CP2CP1109.5°124.8°
CC1NP2CP2HP211.6°4.9°
NP2CP3CP4HP31125.2°119.8°
NP2CP3CP4HP32125.3°119.7°
NP2CP3HP31HP32118.6°120.4°
NP2CP3CP4NP152.8°49.4°
NP2CP3CP4HP4172.4°169.1°
NP2CP3CP4HP42178.1°70.3°
CP3NP2CP2CC268.0°64.9°
CP3NP2CP2CP155.9°54.9°
CP3NP2CP2HP2177.0°174.8°
CP2NP2CP3CP456.7°55.0°
CP2NP2CP3HP31178.1°64.8°
CP2NP2CP3HP3268.6°174.7°
NP2CP2CC2CP1122.2°119.3°
NP2CP2CC2HP2116.9°120.3°
NP2CP2CP1HP2117.6°120.0°
NP2CP2CC2OC2160.7°19.3°
NP2CP2CC2NC218.6°160.6°
NP2CP2CP1NP151.6°49.2°
NP2CP2CP1HP11176.8°169.0°
NP2CP2CP1HP1273.7°70.5°
CP4CP3HP31HP32118.6°120.4°
CP3CP4NP1HP41125.2°119.7°
CP3CP4NP1HP42125.3°119.7°
CP3CP4HP41HP42118.5°120.5°
CP3CP4NP1CP158.9°55.2°
CP3CP4NP1S1150.1°124.8°
HP31CP3CP4NP1178.1°70.3°
HP31CP3CP4HP4152.8°49.4°
HP31CP3CP4HP4256.6°170.0°
HP32CP3CP4NP172.4°169.2°
HP32CP3CP4HP41162.3°71.1°
HP32CP3CP4HP4252.9°49.5°
NP1CP4HP41HP42118.5°120.5°
CP4NP1CP1CP258.6°55.1°
CP4NP1CP1S1151.6°180.0°
CP4NP1CP1HP11176.1°175.0°
CP4NP1CP1HP1266.7°64.5°
CP4NP1S1O120.7°22.6°
CP4NP1S1O2150.9°157.4°
CP4NP1S1CN194.2°90.0°
HP41CP4NP1CP166.3°175.0°
HP41CP4NP1S184.7°5.1°
HP42CP4NP1CP1175.8°64.4°
HP42CP4NP1S124.8°115.6°
CC2CP2CP1HP2115.4°120.4°
CP2CC2OC2NC2179.3°180.0°
CP2CC2NC2HC21180.0°0.0°
CP2CC2NC2HC220.6°180.0°
CC2CP2CP1NP175.5°70.5°
CC2CP2CP1HP1149.8°49.4°
CC2CP2CP1HP12159.3°169.8°
CP1CP2CC2OC238.5°100.0°
CP1CP2CC2NC2140.8°80.1°
CP2CP1NP1HP11125.3°119.8°
CP2CP1NP1HP12125.3°119.6°
CP2CP1HP11HP12118.5°120.2°
CP2CP1NP1S1149.8°124.9°
HP2CP2CC2OC282.4°139.6°
HP2CP2CC2NC298.3°40.3°
HP2CP2CP1NP1169.1°169.2°
HP2CP2CP1HP1165.6°71.0°
HP2CP2CP1HP1243.9°49.4°
OC2CC2NC2HC210.6°180.0°
OC2CC2NC2HC22180.0°0.1°
CC2NC2HC21HC22179.3°179.9°
NP1CP1HP11HP12118.4°120.5°
CP1NP1S1O1171.8°157.4°
CP1NP1S1O258.0°22.6°
CP1NP1S1CN156.9°90.0°
HP11CP1NP1S124.5°5.0°
HP12CP1NP1S184.9°115.5°
NP1S1O1O2123.1°123.2°
NP1S1O1CN1110.6°113.7°
NP1S1O2CN1108.8°113.7°
NP1S1CN1CN298.5°90.0°
NP1S1CN1C1079.2°90.3°
O1S1O2CN1125.4°123.1°
O1S1CN1CN2144.3°157.4°
O1S1CN1C1038.1°22.3°
O2S1CN1CN213.1°22.6°
O2S1CN1C10169.2°157.1°
S1CN1CN2C10177.6°179.7°
S1CN1CN2CN3179.1°180.0°
S1CN1CN2HN20.9°0.0°
S1CN1C10CN9178.5°179.8°
S1CN1C10H101.5°0.0°
CN1CN2CN3HN2180.0°180.0°
CN1CN2CN3CN40.5°0.0°
CN1CN2CN3HN3179.5°179.9°
CN2CN1C10CN90.9°0.5°
CN2CN1C10H10179.1°179.7°
C10CN1CN2CN31.5°0.3°
C10CN1CN2HN2178.5°179.7°
CN1C10CN9CN40.7°0.5°
CN1C10CN9H10180.0°179.7°
CN1C10CN9CN8178.3°179.7°
CN2CN3CN4HN3180.0°179.9°
CN2CN3CN4CN5179.7°180.0°
CN2CN3CN4CN91.1°0.1°
HN2CN2CN3CN4179.5°180.0°
HN2CN2CN3HN30.5°0.1°
CN3CN4CN5CN9178.7°179.9°
CN3CN4CN5CN6179.8°180.0°
CN3CN4CN5HN50.1°0.1°
CN3CN4CN9C101.7°0.2°
CN3CN4CN9CN8179.4°180.0°
HN3CN3CN4CN50.3°0.1°
HN3CN3CN4CN9178.9°179.9°
CN4CN5CN6HN5180.0°179.9°
CN5CN4CN9C10179.6°179.7°
CN5CN4CN9CN82.0°0.1°
CN4CN5CN6CN70.2°0.0°
CN4CN5CN6CL1179.9°180.0°
CN9CN4CN5CN61.2°0.1°
CN9CN4CN5HN5178.8°180.0°
CN4CN9C10CN8177.6°179.8°
CN4CN9C10H10179.3°179.8°
CN4CN9CN8CN71.4°0.1°
CN4CN9CN8HN8178.6°179.9°
CN5CN6CN7CN80.8°0.0°
CN5CN6CN7CL1179.9°180.0°
CN5CN6CN7HN7179.2°180.0°
HN5CN5CN6CN7179.8°180.0°
HN5CN5CN6CL10.1°0.1°
C10CN9CN8CN7178.9°179.7°
C10CN9CN8HN81.1°0.3°
CN8CN9C10H101.7°0.0°
CN9CN8CN7HN8180.0°180.0°
CN9CN8CN7CN60.0°0.0°
CN9CN8CN7HN7180.0°180.0°
CN8CN7CN6HN7180.0°179.9°
CN8CN7CN6CL1179.3°180.0°
HN8CN8CN7CN6180.0°180.0°
HN8CN8CN7HN70.0°0.0°
HN7CN7CN6CL10.7°0.1°

223532

PDB entries from 2024-08-07

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