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CBD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1SAsing1.76Å1.76Å
C1C2doub1.40Å1.41ÅAromatic
C1C14sing1.36Å1.41ÅAromatic
SAO1Adoub1.42Å1.49Å
SAO2Adoub1.42Å1.47Å
SAO3Asing1.52Å1.49Å
O3AHOA3sing0.97Å0.95Å
C2N2sing1.39Å1.54Å
C2C3sing1.40Å1.43ÅAromatic
N2HN21sing0.97Å1.02Å
N2HN22sing0.97Å1.02Å
C3C4sing1.47Å1.47Å
C3C12doub1.41Å1.42ÅAromatic
C4O4doub1.22Å1.24Å
C4C5sing1.48Å1.47Å
C5C6doub1.39Å1.42ÅAromatic
C5C10sing1.41Å1.41ÅAromatic
C6C7sing1.38Å1.40ÅAromatic
C6H6sing1.08Å1.10Å
C7C8doub1.38Å1.40ÅAromatic
C7H7sing1.08Å1.10Å
C8C9sing1.38Å1.39ÅAromatic
C8H8sing1.08Å1.10Å
C9C10doub1.39Å1.42ÅAromatic
C9H9sing1.08Å1.10Å
C10C11sing1.48Å1.43Å
C11O11doub1.22Å1.22Å
C11C12sing1.47Å1.46Å
C12C13sing1.40Å1.43ÅAromatic
C13C14doub1.40Å1.40ÅAromatic
C13NBsing1.39Å1.48Å
C14H14sing1.08Å1.10Å
NBCB5sing1.40Å1.47Å
NBHNBsing0.97Å1.02Å
CB1SBsing1.76Å1.78Å
CB1CB2doub1.39Å1.41ÅAromatic
CB1CB6sing1.38Å1.42ÅAromatic
SBO1Bdoub1.42Å1.52Å
SBO2Bdoub1.42Å1.48Å
SBO3Bsing1.52Å1.50Å
O3BHOB3sing0.97Å0.95Å
CB2CB3sing1.39Å1.41ÅAromatic
CB2NCsing1.40Å1.47Å
CB3CB4doub1.38Å1.38ÅAromatic
CB3HB3sing1.08Å1.10Å
CB4CB5sing1.39Å1.41ÅAromatic
CB4HB4sing1.08Å1.10Å
CB5CB6doub1.39Å1.42ÅAromatic
CB6HB6sing1.08Å1.10Å
NCCC6sing1.38Å1.47Å
NCHNCsing0.97Å1.02Å
NC1CC2doub1.32Å1.36ÅAromatic
NC1CC6sing1.33Å1.37ÅAromatic
CC2CLsing1.74Å1.87Å
CC2NC3sing1.32Å1.39ÅAromatic
NC3CC4doub1.33Å1.38ÅAromatic
CC4NC5sing1.33Å1.35ÅAromatic
CC4NDsing1.38Å1.48Å
NC5CC6doub1.33Å1.35ÅAromatic
NDCD2sing1.40Å1.46Å
NDHNDsing0.97Å1.02Å
CD1SDsing1.76Å1.80Å
CD1CD2doub1.39Å1.42ÅAromatic
CD1CD6sing1.38Å1.44ÅAromatic
SDO1Ddoub1.42Å1.51Å
SDO2Ddoub1.42Å1.50Å
SDO3Dsing1.52Å1.50Å
O3DHOD3sing0.97Å0.95Å
CD2CD3sing1.39Å1.42ÅAromatic
CD3CD4doub1.38Å1.40ÅAromatic
CD3HD3sing1.08Å1.10Å
CD4CD5sing1.38Å1.39ÅAromatic
CD4HD4sing1.08Å1.10Å
CD5CD6doub1.38Å1.39ÅAromatic
CD5HD5sing1.08Å1.10Å
CD6HD6sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
SAC1C2119.4°119.6°
SAC1C14116.3°119.7°
C1SAO1A107.8°105.7°
C1SAO2A105.2°105.8°
C1SAO3A102.7°107.4°
C2C1C14123.1°120.7°
C1C2N2115.6°120.1°
C1C2C3117.2°119.7°
C1C14C13118.5°120.7°
C1C14H14121.0°119.6°
O1ASAO2A114.0°125.4°
O1ASAO3A105.3°105.7°
O2ASAO3A120.7°105.8°
SAO3AHOA3102.7°106.8°
N2C2C3126.2°120.1°
C2N2HN21115.6°120.0°
C2N2HN22109.9°120.0°
C2C3C4123.1°120.7°
C2C3C12120.0°119.6°
HN21N2HN22110.0°120.0°
C4C3C12116.6°119.7°
C3C4O4115.9°120.5°
C3C4C5125.7°119.1°
C3C12C11115.8°119.7°
C3C12C13119.3°119.6°
O4C4C5118.4°120.4°
C4C5C6123.7°120.6°
C4C5C10117.2°119.7°
C6C5C10118.9°119.7°
C5C6C7118.5°119.8°
C5C6H6121.4°120.1°
C5C10C9121.6°119.7°
C5C10C11115.8°119.7°
C7C6H6120.1°120.1°
C6C7C8122.2°120.5°
C6C7H7118.9°119.8°
C8C7H7118.9°119.8°
C7C8C9119.6°120.5°
C7C8H8120.7°119.7°
C9C8H8119.7°119.8°
C8C9C10119.1°119.8°
C8C9H9119.5°120.0°
C10C9H9121.4°120.1°
C9C10C11122.3°120.6°
C10C11O11113.8°120.3°
C10C11C12128.4°119.2°
O11C11C12117.2°120.4°
C11C12C13124.3°120.7°
C12C13C14120.4°119.7°
C12C13NB121.5°120.2°
C14C13NB117.7°120.1°
C13C14H14120.5°119.7°
C13NBCB5126.5°120.1°
C13NBHNB106.3°120.0°
CB5NBHNB106.2°120.0°
NBCB5CB4115.9°120.0°
NBCB5CB6123.1°120.0°
SBCB1CB2118.1°120.1°
SBCB1CB6120.6°120.0°
CB1SBO1B108.5°105.8°
CB1SBO2B105.2°105.7°
CB1SBO3B100.9°107.4°
CB2CB1CB6121.3°120.0°
CB1CB2CB3118.9°120.1°
CB1CB2NC114.5°120.0°
CB1CB6CB5117.9°120.0°
CB1CB6HB6121.0°120.0°
O1BSBO2B118.6°125.4°
O1BSBO3B113.2°105.7°
O2BSBO3B108.7°105.8°
SBO3BHOB3100.9°106.8°
CB3CB2NC126.6°120.0°
CB2CB3CB4121.0°120.0°
CB2CB3HB3120.7°120.0°
CB2NCCC6121.3°120.0°
CB2NCHNC108.0°119.9°
CB4CB3HB3118.3°120.0°
CB3CB4CB5120.1°120.0°
CB3CB4HB4118.8°120.0°
CB5CB4HB4121.1°120.0°
CB4CB5CB6120.9°120.0°
CB5CB6HB6121.1°120.0°
CC6NCHNC108.0°120.1°
NCCC6NC1123.1°120.1°
NCCC6NC5116.9°120.0°
CC2NC1CC6123.8°120.1°
NC1CC2CL119.6°119.9°
NC1CC2NC3113.8°120.1°
NC1CC6NC5120.0°119.9°
CLCC2NC3126.4°119.9°
CC2NC3CC4123.4°120.1°
NC3CC4NC5119.5°119.9°
NC3CC4ND122.7°120.0°
NC5CC4ND117.8°120.1°
CC4NC5CC6119.5°119.9°
CC4NDCD2125.2°120.1°
CC4NDHND106.7°120.0°
CD2NDHND106.7°120.0°
NDCD2CD1115.4°120.0°
NDCD2CD3126.2°120.1°
SDCD1CD2119.1°120.1°
SDCD1CD6121.9°120.0°
CD1SDO1D106.7°105.8°
CD1SDO2D105.7°105.8°
CD1SDO3D112.0°107.4°
CD2CD1CD6119.0°119.9°
CD1CD2CD3118.2°119.9°
CD1CD6CD5121.1°120.0°
CD1CD6HD6121.2°120.0°
O1DSDO2D119.0°125.4°
O1DSDO3D105.1°105.8°
O2DSDO3D108.5°105.7°
SDO3DHOD3111.9°106.9°
CD2CD3CD4121.6°120.0°
CD2CD3HD3119.9°120.1°
CD4CD3HD3118.5°120.0°
CD3CD4CD5120.7°120.0°
CD3CD4HD4119.8°120.0°
CD5CD4HD4119.5°120.0°
CD4CD5CD6119.4°120.2°
CD4CD5HD5120.3°119.9°
CD6CD5HD5120.3°119.9°
CD5CD6HD6117.7°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
SAC1C2C14166.7°180.0°
C1SAO1AO2A116.4°123.2°
C1SAO1AO3A109.0°113.7°
C1SAO2AO3A115.2°113.7°
C1SAO3AHOA3180.0°180.0°
SAC1C2N23.1°0.1°
SAC1C2C3166.1°179.7°
SAC1C14C13173.2°180.0°
SAC1C14H146.8°0.0°
C2C1SAO1A77.9°163.8°
C2C1SAO2A44.1°28.9°
C2C1SAO3A171.3°83.7°
C1C2N2C3168.1°179.7°
C1C2N2HN21180.0°147.4°
C1C2N2HN2254.7°32.8°
C1C2C3C4176.1°179.7°
C1C2C3C1211.0°0.5°
C2C1C14C136.1°0.0°
C2C1C14H14173.9°180.0°
C14C1SAO1A89.7°16.2°
C14C1SAO2A148.3°151.0°
C14C1SAO3A21.1°96.3°
C14C1C2N2169.8°180.0°
C14C1C2C30.6°0.3°
C1C14C13C122.6°0.0°
C1C14C13H14180.0°179.9°
C1C14C13NB171.2°180.0°
O1ASAO2AO3A126.9°123.1°
O1ASAO3AHOA367.3°67.4°
O2ASAO3AHOA363.4°67.4°
C2N2HN21HN22125.2°179.8°
N2C2C3C48.2°0.6°
N2C2C3C12178.9°179.9°
C3C2N2HN2112.0°32.9°
C3C2N2HN22137.2°146.9°
C2C3C4C12173.1°179.3°
C2C3C4O45.7°13.2°
C2C3C4C5171.2°166.6°
C2C3C12C11174.3°179.8°
C2C3C12C1314.5°0.4°
C3C4O4C5177.2°179.8°
C3C4C5C6177.6°166.2°
C3C4C5C107.3°13.8°
C4C3C12C110.9°0.5°
C4C3C12C13172.1°179.7°
C12C3C4O4178.9°166.1°
C12C3C4C51.9°14.1°
C3C12C11C101.9°13.3°
C3C12C11O11172.3°166.7°
C3C12C11C13170.7°179.8°
C3C12C13C147.6°0.2°
C3C12C13NB178.9°179.8°
O4C4C5C60.6°13.6°
O4C4C5C10175.8°166.4°
C4C5C6C10175.1°179.9°
C4C5C6C7176.2°179.9°
C4C5C6H63.8°0.2°
C4C5C10C9176.3°179.9°
C4C5C10C119.1°0.1°
C5C6C7H6180.0°180.0°
C5C6C7C81.0°0.0°
C5C6C7H7179.0°180.0°
C6C5C10C90.9°0.1°
C6C5C10C11175.5°179.9°
C10C5C6C71.1°0.1°
C10C5C6H6178.9°179.9°
C5C10C9C80.4°0.0°
C5C10C9C11174.3°180.0°
C5C10C9H9179.6°180.0°
C5C10C11O11177.9°166.3°
C5C10C11C127.2°13.7°
C6C7C8H7180.0°180.0°
C6C7C8C90.6°0.1°
C6C7C8H8179.5°180.0°
H6C6C7C8179.0°180.0°
H6C6C7H71.0°0.0°
C7C8C9H8180.0°179.9°
C7C8C9C100.2°0.1°
C7C8C9H9179.8°180.0°
H7C7C8C9179.5°180.0°
H7C7C8H80.5°0.0°
C8C9C10H9180.0°180.0°
C8C9C10C11174.7°180.0°
H8C8C9C10179.8°180.0°
H8C8C9H90.2°0.0°
C9C10C11O117.5°13.7°
C9C10C11C12178.2°166.3°
H9C9C10C115.3°0.0°
C10C11O11C12171.8°180.0°
C10C11C12C13168.9°166.4°
O11C11C12C131.5°13.6°
C11C12C13C14178.0°179.9°
C11C12C13NB8.5°0.0°
C12C13C14NB173.7°180.0°
C12C13C14H14177.5°179.9°
C12C13NBCB5154.0°136.7°
C12C13NBHNB28.7°43.3°
C14C13NBCB519.7°43.4°
C14C13NBHNB145.0°136.7°
NBC13C14H148.8°0.0°
C13NBCB5HNB125.3°179.9°
C13NBCB5CB4131.1°12.1°
C13NBCB5CB644.5°167.6°
NBCB5CB6CB1173.9°179.8°
NBCB5CB4CB3176.3°179.9°
NBCB5CB4CB6175.7°179.7°
NBCB5CB4HB43.7°0.1°
NBCB5CB6HB66.1°0.2°
HNBNBCB5CB4103.6°167.8°
HNBNBCB5CB680.8°12.5°
SBCB1CB2CB6178.3°179.8°
CB1SBO1BO2B119.8°123.1°
CB1SBO1BO3B111.1°113.7°
CB1SBO2BO3B107.4°113.7°
CB1SBO3BHOB3180.0°179.9°
SBCB1CB2CB3177.0°179.9°
SBCB1CB2NC2.1°0.0°
SBCB1CB6CB5175.8°179.8°
SBCB1CB6HB64.2°0.2°
CB2CB1SBO1B46.0°163.8°
CB2CB1SBO2B173.9°29.0°
CB2CB1SBO3B73.1°83.7°
CB1CB2CB3NC179.0°179.9°
CB1CB2CB3CB40.9°0.1°
CB1CB2CB3HB3179.0°180.0°
CB2CB1CB6CB52.4°0.4°
CB2CB1CB6HB6177.5°180.0°
CB1CB2NCCC6156.8°140.8°
CB1CB2NCHNC78.0°39.2°
CB6CB1SBO1B132.3°16.5°
CB6CB1SBO2B4.4°151.3°
CB6CB1SBO3B108.6°96.1°
CB6CB1CB2CB31.3°0.2°
CB6CB1CB2NC179.6°179.8°
CB1CB6CB5CB41.5°0.5°
CB1CB6CB5HB6180.0°179.6°
O1BSBO2BO3B131.1°123.2°
O1BSBO3BHOB364.3°67.5°
O2BSBO3BHOB369.6°67.3°
CB2CB3CB4HB3179.9°180.0°
CB2CB3CB4CB51.9°0.0°
CB2CB3CB4HB4178.1°179.9°
CB3CB2NCCC624.2°39.3°
CB3CB2NCHNC101.0°140.7°
NCCB2CB3CB4178.1°180.0°
NCCB2CB3HB32.0°0.0°
CB2NCCC6HNC125.3°180.0°
CB2NCCC6NC16.9°5.9°
CB2NCCC6NC5172.1°173.9°
CB3CB4CB5HB4180.0°180.0°
CB3CB4CB5CB60.7°0.2°
HB3CB3CB4CB5178.0°180.0°
HB3CB3CB4HB41.9°0.0°
CB4CB5CB6HB6178.5°179.9°
HB4CB4CB5CB6179.4°179.8°
NCCC6NC1CC2178.9°180.0°
NCCC6NC1NC5179.0°179.7°
NCCC6NC5CC4179.5°179.8°
HNCNCCC6NC1118.4°174.1°
HNCNCCC6NC562.6°6.1°
NC1CC2CLNC3174.5°180.0°
NC1CC2NC3CC41.1°0.0°
CC2NC1CC6NC50.1°0.2°
CC6NC1CC2CL174.3°180.0°
CC6NC1CC2NC30.8°0.0°
NC1CC6NC5CC40.4°0.5°
CLCC2NC3CC4173.7°180.0°
CC2NC3CC4NC50.6°0.2°
CC2NC3CC4ND176.8°180.0°
NC3CC4NC5ND177.5°179.8°
NC3CC4NC5CC60.2°0.4°
NC3CC4NDCD2178.0°4.7°
NC3CC4NDHND56.7°175.5°
NC5CC4NDCD24.6°175.1°
NC5CC4NDHND120.7°4.8°
NDCC4NC5CC6177.8°179.8°
CC4NDCD2HND125.3°179.8°
CC4NDCD2CD1146.1°151.6°
CC4NDCD2CD338.3°28.5°
NDCD2CD1SD4.6°0.2°
NDCD2CD1CD3175.9°179.9°
NDCD2CD1CD6176.5°179.6°
NDCD2CD3CD4176.1°180.0°
NDCD2CD3HD33.9°0.1°
HNDNDCD2CD120.9°28.6°
HNDNDCD2CD3163.6°151.3°
SDCD1CD2CD6178.9°179.5°
CD1SDO1DO2D119.3°123.1°
CD1SDO1DO3D119.0°113.8°
CD1SDO2DO3D120.3°113.8°
CD1SDO3DHOD3180.0°180.0°
SDCD1CD2CD3179.5°180.0°
SDCD1CD6CD5179.0°180.0°
SDCD1CD6HD61.0°0.2°
CD2CD1SDO1D73.7°25.4°
CD2CD1SDO2D53.9°160.2°
CD2CD1SDO3D171.9°87.2°
CD1CD2CD3CD40.6°0.2°
CD1CD2CD3HD3179.4°179.7°
CD2CD1CD6CD50.1°0.5°
CD2CD1CD6HD6179.9°179.7°
CD6CD1SDO1D105.2°154.0°
CD6CD1SDO2D127.2°19.2°
CD6CD1SDO3D9.2°93.3°
CD6CD1CD2CD30.6°0.5°
CD1CD6CD5CD40.3°0.2°
CD1CD6CD5HD6180.0°179.8°
CD1CD6CD5HD5179.7°179.7°
O1DSDO2DO3D119.9°123.1°
O1DSDO3DHOD364.6°67.4°
O2DSDO3DHOD363.7°67.4°
CD2CD3CD4HD3180.0°179.9°
CD2CD3CD4CD50.2°0.1°
CD2CD3CD4HD4179.8°180.0°
CD3CD4CD5HD4180.0°179.9°
CD3CD4CD5CD60.2°0.1°
CD3CD4CD5HD5179.8°180.0°
HD3CD3CD4CD5179.8°180.0°
HD3CD3CD4HD40.2°0.1°
CD4CD5CD6HD5180.0°180.0°
CD4CD5CD6HD6179.7°180.0°
HD4CD4CD5CD6179.8°180.0°
HD4CD4CD5HD50.2°0.1°
HD5CD5CD6HD60.3°0.1°

225399

PDB entries from 2024-09-25

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