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08A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C29C28sing1.53Å1.47Å
C28N1sing1.46Å1.44Å
C3CD2doub1.37Å1.39ÅAromatic
C3C2sing1.39Å1.39ÅAromatic
N1C2sing1.38Å1.38ÅAromatic
N1N2sing1.40Å1.37ÅAromatic
C17C15sing1.51Å1.51Å
CD2CGsing1.39Å1.40ÅAromatic
C2CAdoub1.41Å1.37ÅAromatic
OHCZdoub1.21Å1.25Å
C15C16doub1.38Å1.40ÅAromatic
C15C14sing1.39Å1.35ÅAromatic
N2Ndoub1.29Å1.31ÅAromatic
C16C11sing1.38Å1.37ÅAromatic
CGCD1sing1.51Å1.54Å
CGCBdoub1.36Å1.37ÅAromatic
CANsing1.35Å1.41ÅAromatic
CACBsing1.40Å1.41ÅAromatic
C18C14sing1.51Å1.53Å
C18C19sing1.53Å1.54Å
CE1CZsing1.51Å1.56Å
CE1CD1sing1.53Å1.53Å
C14C13doub1.38Å1.40ÅAromatic
C19N4sing1.47Å1.47Å
C11CD1sing1.51Å1.53Å
C11C12doub1.38Å1.38ÅAromatic
CZO2sing1.34Å1.26Å
CBC7sing1.51Å1.52Å
C13C12sing1.39Å1.38ÅAromatic
C13C20sing1.51Å1.52Å
C20N4sing1.47Å1.49Å
N4C21sing1.35Å1.37Å
C27C26doub1.38Å1.39ÅAromatic
C27C22sing1.40Å1.36ÅAromatic
C26C25sing1.38Å1.38ÅAromatic
C21C22sing1.48Å1.45Å
C21Odoub1.22Å1.23Å
C22C23doub1.40Å1.39ÅAromatic
C25C24doub1.38Å1.40ÅAromatic
C23C24sing1.38Å1.40ÅAromatic
CD1H1sing1.09Å1.10Å
CD2H2sing1.08Å1.08Å
CE1H3sing1.09Å1.10Å
CE1H4sing1.09Å1.10Å
C12H5sing1.08Å1.08Å
C16H6sing1.08Å1.08Å
C17H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C18H10sing1.09Å1.10Å
C18H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C23H16sing1.08Å1.08Å
C24H17sing1.08Å1.08Å
C25H18sing1.08Å1.08Å
C26H19sing1.08Å1.08Å
C27H20sing1.08Å1.08Å
C28H21sing1.09Å1.10Å
C28H22sing1.09Å1.10Å
C29H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
C3H26sing1.08Å1.08Å
C7H27sing1.09Å1.10Å
C7H28sing1.09Å1.10Å
C7H29sing1.09Å1.10Å
O2H30sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29C28N1115.0°109.5°
C29C28H21108.1°109.5°
C29C28H22108.1°109.5°
C28C29H23109.5°109.4°
C28C29H24109.5°109.4°
C28C29H25109.5°109.5°
C28N1C2128.5°126.8°
C28N1N2120.1°126.8°
N1C28H21108.0°109.5°
N1C28H22108.1°109.5°
CD2C3C2111.5°119.8°
C3CD2CG127.7°120.6°
C3CD2H2116.1°119.7°
CD2C3H26124.2°120.0°
C3C2N1132.4°134.0°
C3C2CA122.3°119.9°
C2C3H26124.3°120.2°
C2N1N2111.2°106.5°
N1C2CA105.2°106.0°
N1N2N106.4°109.5°
C17C15C16115.6°119.7°
C17C15C14125.4°119.7°
C15C17H7109.5°109.4°
C15C17H8109.5°109.5°
C15C17H9109.5°109.5°
CD2CGCD1120.9°119.7°
CD2CGCB119.2°120.7°
CGCD2H2116.2°119.7°
C2CAN106.9°107.7°
C2CACB124.6°119.1°
OHCZCE1118.9°120.0°
OHCZO2127.4°120.0°
C16C15C14119.0°120.6°
C15C16C11122.1°119.8°
C15C16H6118.9°120.0°
C15C14C18120.6°117.6°
C15C14C13119.7°119.5°
N2NCA110.2°110.3°
C16C11CD1126.2°120.1°
C16C11C12118.4°119.7°
C11C16H6118.9°120.1°
CD1CGCB119.8°119.6°
CGCD1CE1109.6°109.5°
CGCD1C11116.9°109.5°
CGCD1H1105.7°109.5°
CGCBCA114.6°119.8°
CGCBC7125.5°120.1°
NCACB128.2°133.2°
CACBC7119.9°120.1°
C14C18C19107.2°110.8°
C18C14C13119.7°122.9°
C14C18H10110.0°109.2°
C14C18H11110.0°109.2°
C18C19N4108.9°108.0°
C19C18H10110.0°109.2°
C19C18H11110.0°109.2°
C18C19H12109.6°109.7°
C18C19H13109.6°109.7°
CZCE1CD1113.5°109.5°
CE1CZO2113.7°120.0°
CZCE1H3108.4°109.5°
CZCE1H4108.5°109.5°
CE1CD1C11112.2°109.5°
CE1CD1H1105.7°109.5°
CD1CE1H3108.5°109.4°
CD1CE1H4108.5°109.4°
C14C13C12120.5°119.9°
C14C13C20123.8°122.3°
C19N4C20110.3°117.3°
C19N4C21126.2°121.3°
N4C19H12109.6°109.8°
N4C19H13109.6°109.8°
CD1C11C12115.4°120.2°
C11CD1H1105.8°109.5°
C11C12C13120.3°120.5°
C11C12H5119.9°119.8°
CZO2H30109.5°117.0°
CBC7H27109.5°109.4°
CBC7H28109.5°109.5°
CBC7H29109.4°109.4°
C12C13C20115.7°117.8°
C13C12H5119.8°119.7°
C13C20N4110.6°109.7°
C13C20H14109.2°109.5°
C13C20H15109.2°109.5°
C20N4C21119.6°121.4°
N4C20H14109.2°109.4°
N4C20H15109.2°109.4°
N4C21C22119.8°120.0°
N4C21O121.7°120.0°
C26C27C22120.4°119.9°
C27C26C25118.4°120.1°
C27C26H19120.8°120.0°
C26C27H20119.8°120.1°
C27C22C21122.6°120.2°
C27C22C23122.9°119.7°
C22C27H20119.8°120.0°
C26C25C24120.6°120.3°
C26C25H18119.7°119.9°
C25C26H19120.8°119.9°
C22C21O118.0°120.0°
C21C22C23114.5°120.2°
C22C23C24116.7°119.9°
C22C23H16121.7°120.0°
C25C24C23120.8°120.1°
C25C24H17119.5°119.9°
C24C25H18119.7°119.8°
C24C23H16121.6°120.1°
C23C24H17119.6°120.0°
H3CE1H4109.5°109.5°
H7C17H8109.4°109.4°
H7C17H9109.4°109.5°
H8C17H9109.5°109.5°
H10C18H11109.5°109.2°
H12C19H13109.5°109.8°
H14C20H15109.5°109.4°
H21C28H22109.5°109.5°
H23C29H24109.5°109.4°
H23C29H25109.4°109.5°
H24C29H25109.5°109.5°
H27C7H28109.4°109.5°
H27C7H29109.5°109.5°
H28C7H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C29C28N1H21120.8°120.0°
C29C28N1H22120.8°120.0°
C29C28N1C263.8°90.0°
C29C28N1N2121.4°90.0°
C29C28H21H22117.5°120.0°
C28C29H23H24120.0°119.9°
C28C29H23H25120.0°120.0°
C28C29H24H25120.0°120.0°
C28N1C2C35.6°0.0°
C28N1C2N2175.2°180.0°
C28N1C2CA177.9°180.0°
C28N1N2N177.2°179.9°
N1C28H21H22117.4°120.0°
N1C28C29H23180.0°180.0°
N1C28C29H2460.0°60.1°
N1C28C29H2560.0°60.0°
CD2C3C2H26180.0°179.9°
CD2C3C2N1179.9°180.0°
C3CD2CGH2180.0°179.9°
CD2C3C2CA4.2°0.0°
C3CD2CGCD1177.7°179.9°
C3CD2CGCB0.8°0.0°
C3C2N1CA176.4°180.0°
C3C2N1N2179.2°180.0°
C2C3CD2CG1.1°0.1°
C3C2CAN179.6°179.9°
C3C2CACB5.9°0.0°
C2C3CD2H2178.9°180.0°
C2N1N2N1.6°0.0°
N1C2CAN2.7°0.0°
N1C2CACB177.2°179.9°
C2N1C28H21175.4°30.0°
C2N1C28H2257.1°150.0°
N1C2C3H260.1°0.1°
N2N1C2CA2.7°0.0°
N1N2NCA0.2°0.1°
N2N1C28H210.6°150.0°
N2N1C28H22117.7°30.0°
C17C15C16C14178.6°179.5°
C17C15C16C11178.6°180.0°
C17C15C14C183.4°0.9°
C17C15C14C13179.5°179.7°
C17C15C16H61.4°0.4°
C15C17H7H8120.0°119.9°
C15C17H7H9120.0°120.0°
C15C17H8H9120.0°120.1°
CD2CGCD1CB178.5°180.0°
CD2CGCBCA0.4°0.1°
CD2CGCD1CE134.4°54.2°
CD2CGCD1C1194.8°65.8°
CD2CGCBC7178.9°180.0°
CD2CGCD1H1147.9°174.2°
CGCD2C3H26178.9°180.0°
C2CANN21.9°0.1°
C2CACBCG3.6°0.1°
C2CANCB174.3°179.9°
C2CACBC7177.8°180.0°
CAC2C3H26175.8°179.9°
OHCZCE1O2179.2°179.9°
OHCZCE1CD1126.8°0.0°
OHCZCE1H3112.6°119.9°
OHCZCE1H46.2°120.0°
OHCZO2H300.0°0.1°
C15C16C11H6180.0°179.5°
C16C15C14C18178.1°178.5°
C16C15C14C131.0°0.8°
C15C16C11CD1177.9°180.0°
C15C16C11C120.7°0.2°
C16C15C17H790.6°90.1°
C16C15C17H8149.4°150.0°
C16C15C17H929.4°30.0°
C14C15C16C110.0°0.6°
C15C14C18C13177.1°179.3°
C15C14C18C19157.8°160.4°
C15C14C13C121.4°0.6°
C15C14C13C20178.9°179.0°
C14C15C16H6180.0°179.9°
C14C15C17H790.9°90.4°
C14C15C17H829.1°29.4°
C14C15C17H9149.1°149.5°
C15C14C18H1038.1°79.3°
C15C14C18H1182.6°40.0°
N2NCACB176.1°179.9°
C16C11CD1CG5.9°69.5°
C16C11CD1CE1122.1°50.5°
C16C11CD1C12178.6°179.8°
C16C11C12C130.3°0.0°
C16C11CD1H1123.1°170.5°
C16C11C12H5179.7°180.0°
CD1CGCBCA178.9°180.0°
CGCD1CE1CZ53.8°175.1°
CGCD1CE1C11131.7°120.0°
CGCD1CE1H1113.5°120.0°
CGCD1C11H1117.3°120.0°
CGCD1C11C12175.5°110.7°
CD1CGCBC72.6°0.1°
CD1CGCD2H22.3°0.0°
CGCD1CE1H3174.4°55.0°
CGCD1CE1H466.8°65.0°
CGCBCAN176.9°180.0°
CGCBCAC7178.6°179.9°
CBCGCD1CE1144.0°125.8°
CBCGCD1C1186.8°114.2°
CBCGCD1H130.6°5.8°
CBCGCD2H2179.2°179.9°
CGCBC7H2789.1°84.2°
CGCBC7H28150.9°35.8°
CGCBC7H2930.9°155.8°
NCACBC74.5°0.1°
CACBC7H2789.3°95.9°
CACBC7H2830.7°144.1°
CACBC7H29150.7°24.1°
C14C18C19H10119.6°120.3°
C14C18C19H11119.6°120.4°
C14C18C19N459.5°47.4°
C18C14C13C12178.6°178.7°
C18C14C13C201.8°1.7°
C14C18H10H11121.1°119.4°
C14C18C19H1260.4°167.1°
C14C18C19H13179.4°72.2°
C19C18C14C1325.1°20.3°
C18C19N4H12119.9°119.6°
C18C19N4H13119.9°119.6°
C18C19N4C2072.8°64.1°
C18C19N4C21129.5°115.8°
C19C18H10H11121.1°119.4°
C18C19H12H13120.2°120.7°
CZCE1CD1H3120.6°120.0°
CZCE1CD1H4120.6°120.0°
CZCE1CD1C11174.5°65.0°
CZCE1CD1H159.6°55.0°
CZCE1H3H4118.2°120.0°
CE1CZO2H30179.1°180.0°
CE1CD1C11H1114.8°120.0°
CE1CD1C11C1256.6°129.3°
CD1CE1CZO254.0°180.0°
CD1CE1H3H4118.2°120.0°
C14C13C12C110.7°0.3°
C14C13C12C20179.7°179.6°
C14C13C20N410.6°11.7°
C14C13C12H5179.2°179.7°
C13C14C18H10144.7°100.0°
C13C14C18H1194.5°140.7°
C14C13C20H14130.8°108.3°
C14C13C20H15109.6°131.8°
C19N4C20C1345.0°44.4°
C19N4C20C21159.4°180.0°
C19N4C21C2224.0°174.9°
C19N4C21O163.4°5.1°
N4C19C18H10179.2°72.8°
N4C19C18H1160.1°167.8°
N4C19H12H13120.3°120.8°
C19N4C20H14165.2°75.7°
C19N4C20H1575.2°164.5°
CD1C11C12C13178.5°179.8°
C11CD1CE1H353.9°175.0°
C11CD1CE1H464.9°55.0°
CD1C11C12H51.5°0.2°
CD1C11C16H62.1°0.5°
C11C12C13H5180.0°180.0°
C11C12C13C20179.6°179.4°
C12C11CD1H158.2°9.3°
C12C11C16H6179.3°179.7°
O2CZCE1H366.6°60.0°
O2CZCE1H4174.6°60.1°
CBC7H27H28120.0°120.0°
CBC7H27H29120.0°119.9°
CBC7H28H29120.0°120.0°
C12C13C20N4169.7°168.6°
C12C13C20H1449.5°71.3°
C12C13C20H1570.1°48.5°
C13C20N4H14120.2°120.1°
C13C20N4H15120.2°120.1°
C13C20N4C21155.7°135.5°
C20C13C12H50.5°0.6°
C13C20H14H15119.5°119.9°
C20N4C21C22179.8°5.1°
C20N4C21O7.6°175.0°
C20N4C19H1247.1°176.2°
C20N4C19H13167.3°55.5°
N4C20H14H15119.5°119.8°
N4C21C22C2741.9°45.3°
N4C21C22O172.8°179.9°
N4C21C22C23139.8°135.0°
C21N4C19H12110.6°3.8°
C21N4C19H139.6°124.6°
C21N4C20H1435.5°104.4°
C21N4C20H1584.2°15.4°
C26C27C22H20180.0°179.4°
C27C26C25H19180.0°179.8°
C26C27C22C21178.5°179.7°
C26C27C22C230.4°0.6°
C27C26C25C241.5°0.3°
C27C26C25H18178.5°179.7°
C22C27C26C250.1°0.6°
C27C22C21C23178.3°179.7°
C27C22C21O130.9°134.7°
C27C22C23C242.5°0.3°
C27C22C23H16177.5°179.8°
C22C27C26H19179.8°179.7°
C26C25C24H18180.0°180.0°
C26C25C24C233.7°0.1°
C26C25C24H17176.3°180.0°
C25C26C27H20179.9°180.0°
C21C22C23C24179.2°180.0°
C21C22C23H160.8°0.0°
C21C22C27H201.5°0.3°
OC21C22C2347.4°45.0°
C22C23C24C254.1°0.1°
C22C23C24H16180.0°180.0°
C22C23C24H17175.9°180.0°
C23C22C27H20179.6°180.0°
C25C24C23H17180.0°179.9°
C25C24C23H16175.9°179.9°
C24C25C26H19178.5°180.0°
C23C24C25H18176.3°180.0°
H1CD1CE1H360.9°65.0°
H1CD1CE1H4179.8°175.0°
H2CD2C3H261.1°0.1°
H7C17H8H9120.0°120.0°
H10C18C19H1259.2°46.8°
H10C18C19H1360.9°167.5°
H11C18C19H12180.0°72.5°
H11C18C19H1359.8°48.2°
H16C23C24H174.1°0.0°
H17C24C25H183.7°0.1°
H18C25C26H191.5°0.1°
H19C26C27H200.2°0.3°
H21C28C29H2359.2°60.0°
H21C28C29H2460.8°59.9°
H21C28C29H25179.2°180.0°
H22C28C29H2359.2°60.0°
H22C28C29H24179.2°179.9°
H22C28C29H2560.8°60.0°
H23C29H24H25119.9°120.1°
H27C7H28H29120.0°120.1°

224931

PDB entries from 2024-09-11

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