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PH9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CB2CB3doub1.38Å1.43ÅAromatic
CB2CB1sing1.38Å1.39ÅAromatic
CB2C1sing1.51Å1.48Å
CB3CB4sing1.38Å1.43ÅAromatic
CB3HB3sing1.08Å1.10Å
CB4CB6doub1.39Å1.42ÅAromatic
CB4HB4sing1.08Å1.10Å
CB6CB5sing1.39Å1.43ÅAromatic
CB6OABsing1.36Å1.39Å
CB5CB1doub1.38Å1.39ÅAromatic
CB5HB5sing1.08Å1.10Å
CB1HB1sing1.08Å1.10Å
C2C1sing1.53Å1.36Å
C2Nsing1.47Å1.42Å
C2CO2sing1.51Å1.50Å
C2H2sing1.09Å1.11Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.12Å
NCsing1.35Å1.36Å
NHNsing0.97Å1.02Å
COdoub1.21Å1.25Å
CCC1sing1.51Å1.54Å
CO2OC1sing1.21Å1.26Å
CO2OC2doub1.34Å1.25Å
OC1HC1sing5.70Å0.95Å
OABCA1sing1.36Å1.39Å
CA1CA2doub1.39Å1.44ÅAromatic
CA1CA6sing1.39Å1.45ÅAromatic
CA2CA3sing1.38Å1.44ÅAromatic
CA2BRA2sing1.89Å1.92Å
CA3CA4doub1.38Å1.44ÅAromatic
CA3HA3sing1.08Å1.10Å
CA4CA5sing1.38Å1.43ÅAromatic
CA4HA4sing1.08Å1.10Å
CA5CA6doub1.38Å1.43ÅAromatic
CA5HA5sing1.08Å1.10Å
CA6HA6sing1.08Å1.10Å
CC4CC3sing1.53Å1.57Å
CC4CC5sing1.53Å1.57Å
CC4HC41sing1.09Å1.12Å
CC4HC42sing1.09Å1.11Å
CC3CC6sing1.53Å3.00Å
CC3CC9sing1.53Å1.57Å
CC3HC3sing1.09Å1.11Å
CC5CC2sing1.53Å3.00Å
CC5C10sing1.53Å1.58Å
CC5HC5sing1.09Å1.11Å
CC2CC1sing1.53Å1.57Å
CC2HC21sing1.09Å1.11Å
CC2HC22sing1.09Å1.11Å
CC6CC1sing1.53Å1.57Å
CC6HC61sing1.09Å1.12Å
CC6HC62sing1.09Å1.12Å
CC1CC7sing1.53Å1.58Å
C10CC8sing1.53Å1.56Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
CC8CC9sing1.53Å1.57Å
CC8CC7sing1.53Å1.56Å
CC8HC8sing1.09Å1.12Å
CC9HC91sing1.09Å1.12Å
CC9HC92sing1.09Å1.11Å
CC7HC71sing1.09Å1.12Å
CC7HC72sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CB3CB2CB1118.3°120.1°
CB3CB2C1121.9°119.9°
CB2CB3CB4120.8°120.1°
CB2CB3HB3119.6°120.0°
CB1CB2C1119.8°120.0°
CB2CB1CB5121.7°120.1°
CB2CB1HB1119.2°119.9°
CB2C1C2133.8°109.5°
CB2C1H11103.9°109.5°
CB2C1H12103.9°109.5°
CB4CB3HB3119.6°120.0°
CB3CB4CB6119.8°120.0°
CB3CB4HB4120.4°120.0°
CB6CB4HB4119.8°120.0°
CB4CB6CB5117.8°119.9°
CB4CB6OAB120.3°120.1°
CB5CB6OAB121.9°120.0°
CB6CB5CB1121.6°119.9°
CB6CB5HB5120.9°120.1°
CB6OABCA1124.3°106.8°
CB1CB5HB5117.5°120.0°
CB5CB1HB1119.1°120.0°
C1C2N126.9°109.4°
C1C2CO2118.2°109.5°
C1C2H249.0°109.5°
C2C1H11103.8°109.5°
C2C1H12103.8°109.5°
NC2CO2114.9°109.5°
NC2H279.1°109.5°
C2NC125.6°120.0°
C2NHN119.5°120.0°
CO2C2H2163.0°109.5°
C2CO2OC1116.1°120.0°
C2CO2OC2120.4°120.0°
H11C1H12104.9°109.4°
CNHN114.9°120.0°
NCO125.1°120.0°
NCCC1113.2°119.9°
OCCC1121.7°120.0°
CCC1CC2112.1°109.4°
CCC1CC6110.2°109.5°
CCC1CC7111.0°109.5°
OC1CO2OC2123.5°120.0°
CO2OC1HC1116.1°56.2°
OABCA1CA2118.5°120.0°
OABCA1CA6122.7°120.0°
CA2CA1CA6118.7°119.9°
CA1CA2CA3119.8°119.9°
CA1CA2BRA2118.4°120.1°
CA1CA6CA5121.6°119.9°
CA1CA6HA6120.0°120.1°
CA3CA2BRA2121.9°120.0°
CA2CA3CA4120.3°120.0°
CA2CA3HA3120.0°120.0°
CA4CA3HA3119.6°119.9°
CA3CA4CA5120.4°120.1°
CA3CA4HA4120.1°119.9°
CA5CA4HA4119.5°119.9°
CA4CA5CA6119.2°120.1°
CA4CA5HA5120.5°120.0°
CA6CA5HA5120.3°120.0°
CA5CA6HA6118.4°120.0°
CC3CC4CC5109.6°109.5°
CC3CC4HC41112.1°109.5°
CC3CC4HC42112.1°109.5°
CC4CC3CC658.2°109.4°
CC4CC3CC9109.7°109.5°
CC4CC3HC3133.0°109.5°
CC5CC4HC41112.1°109.5°
CC5CC4HC42112.1°109.5°
CC4CC5CC257.9°109.5°
CC4CC5C10110.2°109.5°
CC4CC5HC5132.9°109.5°
HC41CC4HC4298.3°109.4°
CC6CC3CC999.4°109.5°
CC6CC3HC3141.3°109.5°
CC3CC6CC159.8°109.5°
CC3CC6HC61135.1°109.5°
CC3CC6HC62135.2°109.4°
CC9CC3HC3106.5°109.5°
CC3CC9CC8110.3°109.5°
CC3CC9HC91111.9°109.5°
CC3CC9HC92112.0°109.5°
CC2CC5C1099.8°109.4°
CC2CC5HC5141.4°109.5°
CC5CC2CC159.8°109.5°
CC5CC2HC21135.1°109.5°
CC5CC2HC22135.1°109.4°
C10CC5HC5106.2°109.5°
CC5C10CC8109.7°109.5°
CC5C10H101112.2°109.5°
CC5C10H102112.2°109.4°
CC1CC2HC21135.1°109.5°
CC1CC2HC22135.1°109.5°
CC2CC1CC6108.1°109.5°
CC2CC1CC7108.1°109.5°
HC21CC2HC2270.4°109.5°
CC1CC6HC61135.1°109.5°
CC1CC6HC62135.1°109.5°
CC6CC1CC7107.1°109.5°
HC61CC6HC6270.4°109.5°
CC1CC7CC8111.9°109.5°
CC1CC7HC71111.3°109.5°
CC1CC7HC72111.4°109.5°
CC8C10H101112.1°109.5°
CC8C10H102112.1°109.5°
C10CC8CC9109.4°109.5°
C10CC8CC7108.6°109.5°
C10CC8HC8110.0°109.5°
H101C10H10298.3°109.5°
CC9CC8CC7109.2°109.5°
CC9CC8HC8109.4°109.4°
CC8CC9HC91111.9°109.4°
CC8CC9HC92111.9°109.4°
CC7CC8HC8110.2°109.5°
CC8CC7HC71111.3°109.5°
CC8CC7HC72111.3°109.5°
HC91CC9HC9298.5°109.5°
HC71CC7HC7299.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CB3CB2CB1C1178.9°179.7°
CB2CB3CB4HB3180.0°179.9°
CB2CB3CB4CB60.5°0.1°
CB2CB3CB4HB4179.5°180.0°
CB3CB2CB1CB50.5°0.5°
CB3CB2CB1HB1179.6°180.0°
CB3CB2C1C2177.6°90.0°
CB3CB2C1H1152.4°30.0°
CB3CB2C1H1257.1°150.0°
CB1CB2CB3CB40.7°0.3°
CB1CB2CB3HB3179.3°179.8°
CB2CB1CB5CB60.1°0.5°
CB2CB1CB5HB1180.0°179.4°
CB2CB1CB5HB5179.9°179.7°
CB1CB2C1C23.5°90.3°
CB1CB2C1H11128.8°149.7°
CB1CB2C1H12121.8°29.7°
C1CB2CB3CB4179.6°180.0°
C1CB2CB3HB30.4°0.1°
C1CB2CB1CB5179.4°179.8°
C1CB2CB1HB10.7°0.3°
CB2C1C2H11125.3°120.1°
CB2C1C2H12125.3°120.0°
CB2C1C2N1.4°65.0°
CB2C1C2CO2180.0°175.0°
CB2C1C2H213.6°55.0°
CB2C1H11H12108.7°120.0°
CB3CB4CB6HB4180.0°180.0°
CB3CB4CB6CB50.1°0.0°
CB3CB4CB6OAB179.3°180.0°
HB3CB3CB4CB6179.5°180.0°
HB3CB3CB4HB40.5°0.1°
CB4CB6CB5OAB179.2°180.0°
CB4CB6CB5CB10.3°0.3°
CB4CB6CB5HB5179.7°180.0°
CB4CB6OABCA1177.6°89.4°
HB4CB4CB6CB5180.0°180.0°
HB4CB4CB6OAB0.7°0.0°
CB6CB5CB1HB5180.0°179.7°
CB6CB5CB1HB1179.9°180.0°
CB5CB6OABCA11.6°90.6°
OABCB6CB5CB1179.5°179.7°
OABCB6CB5HB50.4°0.0°
CB6OABCA1CA2100.8°178.7°
CB6OABCA1CA678.4°1.6°
HB5CB5CB1HB10.1°0.3°
C1C2NCO2178.6°120.0°
C1C2NH211.5°120.0°
C1C2CO2H237.6°120.0°
C2C1H11H12108.6°120.0°
C1C2NC76.9°155.0°
C1C2NHN103.1°25.0°
C1C2CO2OC19.6°120.0°
C1C2CO2OC2169.5°60.0°
NC2CO2H2143.6°120.0°
NC2C1H11123.9°175.0°
NC2C1H12126.7°55.0°
C2NCHN180.0°180.0°
C2NCO0.1°0.0°
C2NCCC1179.4°180.0°
NC2CO2OC1171.6°0.0°
NC2CO2OC29.3°180.0°
CO2C2C1H1154.7°55.0°
CO2C2C1H1254.7°65.0°
CO2C2NC104.4°85.0°
CO2C2NHN75.5°95.0°
C2CO2OC1OC2179.1°180.0°
C2CO2OC1HC1180.0°6.2°
H2C2C1H11138.9°65.0°
H2C2C1H12111.7°175.0°
H2C2NC65.4°35.0°
H2C2NHN114.6°145.0°
H2C2CO2OC128.0°120.0°
H2C2CO2OC2152.9°60.0°
NCOCC1179.4°180.0°
NCCC1CC2179.6°180.0°
NCCC1CC659.2°60.0°
NCCC1CC759.4°60.0°
HNNCO179.9°180.0°
HNNCCC10.7°0.0°
OCCC1CC20.2°0.0°
OCCC1CC6120.3°120.0°
OCCC1CC7121.2°120.0°
CCC1CC6CC3151.2°180.0°
CCC1CC2CC5150.0°180.0°
CCC1CC2CC6121.7°120.0°
CCC1CC2CC7122.7°120.0°
CCC1CC2HC2124.7°60.0°
CCC1CC2HC2284.7°60.0°
CCC1CC6CC7120.9°120.0°
CCC1CC6HC6183.6°60.0°
CCC1CC6HC6225.9°60.0°
CCC1CC7CC8179.2°180.0°
CCC1CC7HC7154.0°60.0°
CCC1CC7HC7255.5°60.0°
OC2CO2OC1HC10.9°173.8°
OABCA1CA2CA6179.3°179.7°
OABCA1CA2CA3179.8°179.7°
OABCA1CA2BRA20.6°0.3°
OABCA1CA6CA5179.7°180.0°
OABCA1CA6HA60.2°0.1°
CA1CA2CA3BRA2179.5°179.4°
CA1CA2CA3CA40.6°0.6°
CA1CA2CA3HA3179.4°179.6°
CA2CA1CA6CA50.5°0.3°
CA2CA1CA6HA6179.5°179.8°
CA6CA1CA2CA30.6°0.6°
CA6CA1CA2BRA2179.9°180.0°
CA1CA6CA5CA40.4°0.0°
CA1CA6CA5HA6180.0°179.9°
CA1CA6CA5HA5179.6°180.0°
CA2CA3CA4HA3180.0°179.8°
CA2CA3CA4CA50.5°0.3°
CA2CA3CA4HA4179.5°179.7°
BRA2CA2CA3CA4179.9°180.0°
BRA2CA2CA3HA30.0°0.2°
CA3CA4CA5HA4180.0°179.9°
CA3CA4CA5CA60.4°0.1°
CA3CA4CA5HA5179.7°180.0°
HA3CA3CA4CA5179.6°179.9°
HA3CA3CA4HA40.4°0.0°
CA4CA5CA6HA5180.0°179.9°
CA4CA5CA6HA6179.6°180.0°
HA4CA4CA5CA6179.6°180.0°
HA4CA4CA5HA50.3°0.1°
HA5CA5CA6HA60.4°0.1°
CC3CC4CC5HC41125.3°120.0°
CC3CC4CC5HC42125.2°120.0°
CC3CC4HC41HC42118.1°120.0°
CC4CC3CC6CC9107.4°120.0°
CC4CC3CC6HC3120.5°120.0°
CC4CC3CC9HC3149.5°120.0°
CC3CC4CC5CC230.6°60.0°
CC3CC4CC5C1058.4°60.0°
CC3CC4CC5HC5163.2°180.0°
CC4CC3CC6CC1178.1°60.0°
CC4CC3CC6HC6156.7°60.0°
CC4CC3CC6HC6252.8°180.0°
CC4CC3CC9CC859.6°60.0°
CC4CC3CC9HC91175.1°180.0°
CC4CC3CC9HC9265.7°60.0°
CC5CC4HC41HC42118.1°120.0°
CC5CC4CC3CC630.5°60.0°
CC5CC4CC3CC958.4°60.0°
CC5CC4CC3HC3163.2°180.0°
CC4CC5CC2C10107.8°120.0°
CC4CC5CC2HC5120.3°120.0°
CC4CC5C10HC5149.6°120.0°
CC4CC5CC2CC1178.2°60.0°
CC4CC5CC2HC2153.0°180.0°
CC4CC5CC2HC2256.5°60.0°
CC4CC5C10CC859.0°59.9°
CC4CC5C10H10166.2°180.0°
CC4CC5C10H102175.8°60.0°
HC41CC4CC3CC6155.8°180.0°
HC41CC4CC3CC966.8°60.0°
HC41CC4CC3HC371.5°60.0°
HC41CC4CC5CC2155.9°180.0°
HC41CC4CC5C1066.8°60.0°
HC41CC4CC5HC571.5°60.0°
HC42CC4CC3CC694.7°60.0°
HC42CC4CC3CC9176.3°180.0°
HC42CC4CC3HC338.0°60.0°
HC42CC4CC5CC294.6°60.0°
HC42CC4CC5C10176.3°180.0°
HC42CC4CC5HC538.0°60.0°
CC6CC3CC9HC3151.0°120.1°
CC3CC6CC1CC228.4°60.0°
CC3CC6CC1HC61125.2°120.0°
CC3CC6CC1HC62125.3°120.0°
CC3CC6HC61HC62135.1°120.0°
CC3CC6CC1CC787.9°60.0°
CC6CC3CC9CC80.2°60.0°
CC6CC3CC9HC91125.4°60.0°
CC6CC3CC9HC92125.1°179.9°
CC9CC3CC6CC174.5°60.0°
CC9CC3CC6HC6150.7°180.0°
CC9CC3CC6HC62160.3°60.0°
CC3CC9CC8C1060.0°60.0°
CC3CC9CC8HC91125.3°120.0°
CC3CC9CC8HC92125.3°120.0°
CC3CC9CC8CC758.8°60.0°
CC3CC9CC8HC8179.5°180.0°
CC3CC9HC91HC92117.9°120.1°
HC3CC3CC6CC157.5°180.0°
HC3CC3CC6HC61177.3°60.0°
HC3CC3CC6HC6267.7°60.0°
HC3CC3CC9CC8150.9°180.0°
HC3CC3CC9HC9125.6°60.0°
HC3CC3CC9HC9283.9°60.0°
CC2CC5C10HC5151.1°120.0°
CC5CC2CC1HC21125.3°120.0°
CC5CC2CC1HC22125.3°120.0°
CC5CC2HC21HC22135.1°120.0°
CC5CC2CC1CC628.4°60.0°
CC5CC2CC1CC787.3°60.0°
CC2CC5C10CC80.3°60.0°
CC2CC5C10H101125.5°60.1°
CC2CC5C10H102124.9°180.0°
C10CC5CC2CC174.0°60.0°
C10CC5CC2HC21160.8°60.0°
C10CC5CC2HC2251.2°180.0°
CC5C10CC8H101125.3°120.0°
CC5C10CC8H102125.3°119.9°
CC5C10H101H102118.1°120.0°
CC5C10CC8CC959.3°60.0°
CC5C10CC8CC759.8°60.0°
CC5C10CC8HC8179.5°180.0°
HC5CC5CC2CC158.0°180.0°
HC5CC5CC2HC2167.2°60.0°
HC5CC5CC2HC22176.8°60.0°
HC5CC5C10CC8151.4°180.0°
HC5CC5C10H10183.3°60.0°
HC5CC5C10H10226.2°60.0°
CC1CC2HC21HC22135.0°120.0°
CC2CC1CC6CC7116.3°120.0°
CC2CC1CC6HC61153.6°60.0°
CC2CC1CC6HC6296.9°180.0°
CC2CC1CC7CC857.5°60.0°
CC2CC1CC7HC71177.3°180.0°
CC2CC1CC7HC7267.8°60.0°
HC21CC2CC1CC696.9°180.0°
HC21CC2CC1CC7147.4°60.0°
HC22CC2CC1CC6153.6°60.0°
HC22CC2CC1CC738.0°180.0°
CC1CC6HC61HC62135.0°120.0°
CC6CC1CC7CC858.8°60.0°
CC6CC1CC7HC7166.4°60.0°
CC6CC1CC7HC72175.9°180.0°
HC61CC6CC1CC737.3°180.0°
HC62CC6CC1CC7146.8°60.0°
CC1CC7CC8C1060.6°60.0°
CC1CC7CC8CC958.7°60.0°
CC1CC7CC8HC71125.3°120.0°
CC1CC7CC8HC72125.3°120.0°
CC1CC7CC8HC8178.9°180.0°
CC1CC7HC71HC72117.2°120.0°
CC8C10H101H102118.0°120.0°
C10CC8CC9CC7118.8°120.0°
C10CC8CC9HC8120.6°120.0°
C10CC8CC7HC8120.5°120.0°
C10CC8CC9HC91174.7°180.0°
C10CC8CC9HC9265.3°60.0°
C10CC8CC7HC7164.7°180.0°
C10CC8CC7HC72174.1°60.0°
H101C10CC8CC966.0°180.0°
H101C10CC8CC7174.9°60.0°
H101C10CC8HC854.2°60.0°
H102C10CC8CC9175.4°60.0°
H102C10CC8CC765.4°180.0°
H102C10CC8HC855.2°60.0°
CC9CC8CC7HC8120.2°119.9°
CC8CC9HC91HC92117.7°120.0°
CC9CC8CC7HC71176.1°60.0°
CC9CC8CC7HC7266.7°180.0°
CC7CC8CC9HC9166.5°60.0°
CC7CC8CC9HC92175.9°180.0°
CC8CC7HC71HC72117.1°120.0°
HC8CC8CC9HC9154.2°60.0°
HC8CC8CC9HC9255.2°60.0°
HC8CC8CC7HC7155.8°60.0°
HC8CC8CC7HC7253.6°60.0°

222415

PDB entries from 2024-07-10

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