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MT5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3H32sing1.09Å0.00Å
C4H41sing1.09Å0.00Å
C4H42sing1.09Å0.00Å
C5H51sing1.09Å0.00Å
C5H52sing1.09Å0.00Å
C6H61sing1.09Å0.00Å
C6H62sing1.09Å0.00Å
C7H71sing1.09Å0.00Å
C7H72sing1.09Å0.00Å
C8H81sing1.09Å0.00Å
C8H82sing1.09Å0.00Å
C15H15sing1.09Å1.10Å
O16H16sing0.97Å0.95Å
C1C2sing1.53Å0.00Å
C2C3sing1.53Å0.00Å
C3C4sing1.53Å0.00Å
C4C5sing1.53Å0.00Å
C5C6sing1.53Å0.00Å
C6C7sing1.53Å0.00Å
C7C8sing1.53Å0.00Å
C8N9sing1.47Å48.58Å
N9C10doub1.30Å1.34Å
C10N11sing1.37Å1.35Å
N11C12sing1.47Å1.46Å
C12C13sing1.54Å1.54Å
C10N14sing1.36Å1.37Å
C13N14sing1.48Å1.45Å
N14C15sing1.47Å1.41Å
C15O16sing1.43Å1.36Å
C15C17sing1.54Å1.52Å
C17O18sing1.43Å1.45Å
C17C19sing1.53Å1.53Å
C19O20sing1.43Å1.40Å
C13C21sing1.53Å1.47Å
C19C21sing1.54Å1.53Å
C21O22sing1.43Å1.40Å
N11H11sing0.97Å1.00Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
O18H18sing0.97Å0.95Å
C19H19sing1.09Å1.10Å
O20H20sing0.97Å0.95Å
O22H22sing0.97Å0.95Å
C1H1sing1.09Å0.00Å
C1H2sing1.09Å0.00Å
C1H3sing1.09Å0.00Å
N9H9sing0.97Å1.00Å
C2H23sing1.09Å0.00Å
C2H24sing1.09Å0.00Å
C3H31sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
H32C3C290.0°109.5°
H32C3C490.0°109.5°
H32C3H3190.0°109.5°
H41C4H4290.0°109.5°
H41C4C390.0°109.5°
H41C4C590.0°109.5°
H42C4C390.0°109.5°
H42C4C590.0°109.5°
H51C5H5290.0°109.4°
H51C5C490.0°109.5°
H51C5C690.0°109.4°
H52C5C490.0°109.5°
H52C5C690.0°109.5°
H61C6H6290.0°109.5°
H61C6C590.0°109.4°
H61C6C790.0°109.5°
H62C6C590.0°109.4°
H62C6C790.0°109.5°
H71C7H7290.0°109.5°
H71C7C690.0°109.5°
H71C7C890.0°109.5°
H72C7C690.0°109.5°
H72C7C890.0°109.5°
H81C8H8290.0°109.5°
H81C8C790.0°109.5°
H81C8N990.0°109.4°
H82C8C790.0°109.5°
H82C8N990.0°109.5°
H15C15N1495.1°109.8°
H15C15O16102.5°109.9°
H15C15C17108.0°109.9°
H16O16C15109.5°114.0°
C1C2C390.0°109.5°
C2C1H190.0°109.5°
C2C1H290.0°109.4°
C2C1H390.0°109.5°
C1C2H2390.0°109.5°
C1C2H2490.0°109.4°
C2C3C490.0°109.4°
C3C2H2390.0°109.5°
C3C2H2490.0°109.5°
C2C3H3190.0°109.5°
C3C4C590.0°109.4°
C4C3H3190.0°109.5°
C4C5C690.0°109.5°
C5C6C790.0°109.5°
C6C7C890.0°109.4°
C7C8N990.0°109.5°
C8N9C10123.3°120.0°
C8N9H9118.3°120.0°
N9C10N11126.9°123.8°
N9C10N14121.1°123.7°
C10N9H9118.3°120.1°
C10N11C12110.7°109.0°
N11C10N14112.0°112.6°
C10N11H11124.7°125.5°
N11C12C13102.8°104.5°
C12N11H11124.7°125.5°
N11C12H121111.7°110.5°
N11C12H122113.2°110.4°
C12C13N14105.9°104.2°
C12C13C21117.2°110.7°
C13C12H121111.8°110.4°
C13C12H122113.2°110.4°
C12C13H13105.1°111.3°
C10N14C13108.7°109.0°
C10N14C15129.4°128.2°
C13N14C15121.9°122.7°
N14C13C21103.6°107.6°
N14C13H13118.4°111.1°
N14C15O16120.1°109.9°
N14C15C17116.4°107.4°
O16C15C17111.5°109.9°
C15C17O18115.9°109.4°
C15C17C19115.3°109.7°
C15C17H17100.0°109.4°
O18C17C19108.9°109.5°
O18C17H17107.7°109.5°
C17O18H18109.5°114.0°
C17C19O20105.7°109.3°
C17C19C21111.7°110.3°
C19C17H17108.3°109.4°
C17C19H19109.5°109.3°
O20C19C21106.3°109.2°
O20C19H19114.6°109.3°
C19O20H20109.5°114.0°
C13C21C19105.0°108.4°
C13C21O22108.6°109.5°
C21C13H13107.3°111.7°
C13C21H21114.6°109.6°
C19C21O22114.0°109.5°
C19C21H21109.2°110.1°
C21C19H19109.0°109.4°
O22C21H21105.6°109.7°
C21O22H22109.5°114.0°
H121C12H122104.4°110.5°
H1C1H290.0°109.5°
H1C1H390.0°109.5°
H2C1H390.0°109.4°
H23C2H2490.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
H32C3C4H4190.0°59.9°
H32C3C4H4290.0°180.0°
H32C3C2C190.0°60.0°
H32C3C2C490.0°120.0°
H32C3C2H3190.0°120.0°
H32C3C4H3190.0°120.1°
H32C3C4C590.0°60.0°
H32C3C2H2390.0°60.0°
H32C3C2H2490.0°180.0°
H41C4H42C390.0°120.1°
H41C4H42C590.0°120.0°
H41C4C5H5190.0°180.0°
H41C4C5H5290.0°60.0°
H41C4C3C290.0°60.0°
H41C4C3C590.0°120.0°
H41C4C5C690.0°60.0°
H41C4C3H3190.0°180.0°
H42C4C5H5190.0°60.0°
H42C4C5H5290.0°179.9°
H42C4C3C290.0°60.0°
H42C4C3C590.0°120.0°
H42C4C5C690.0°60.0°
H42C4C3H3190.0°59.9°
H51C5H52C490.0°120.0°
H51C5H52C690.0°120.0°
H51C5C6H6190.0°180.0°
H51C5C6H6290.0°60.0°
H51C5C4C390.0°60.0°
H51C5C4C690.0°120.0°
H51C5C6C790.0°60.0°
H52C5C6H6190.0°60.1°
H52C5C6H6290.0°180.0°
H52C5C4C390.0°60.0°
H52C5C4C690.0°120.1°
H52C5C6C790.0°59.9°
H61C6H62C590.0°119.9°
H61C6H62C790.0°120.1°
H61C6C7H7190.0°180.0°
H61C6C7H7290.0°59.9°
H61C6C5C490.0°60.0°
H61C6C5C790.0°120.0°
H61C6C7C890.0°60.0°
H62C6C7H7190.0°60.0°
H62C6C7H7290.0°180.0°
H62C6C5C490.0°59.9°
H62C6C5C790.0°120.1°
H62C6C7C890.0°60.0°
H71C7H72C690.0°120.0°
H71C7H72C890.0°120.0°
H71C7C8H8190.0°180.0°
H71C7C8H8290.0°60.0°
H71C7C6C590.0°60.0°
H71C7C6C890.0°120.0°
H71C7C8N990.0°60.0°
H72C7C8H8190.0°60.0°
H72C7C8H8290.0°180.0°
H72C7C6C590.0°60.0°
H72C7C6C890.0°120.0°
H72C7C8N990.0°60.0°
H81C8H82C790.0°120.0°
H81C8H82N990.0°120.0°
H81C8C7C690.0°60.0°
H81C8C7N990.0°120.0°
H81C8N9C1090.0°60.0°
H81C8N9H990.0°120.1°
H82C8C7C690.0°60.0°
H82C8C7N990.0°120.0°
H82C8N9C1090.0°60.0°
H82C8N9H990.0°119.9°
H15C15O16H16148.1°59.0°
H15C15N14C1048.1°7.3°
H15C15N14C13130.4°169.8°
H15C15N14O16107.6°121.0°
H15C15N14C17113.0°119.5°
H15C15O16C17115.3°121.0°
H15C15C17O18124.2°69.0°
H15C15C17C19107.0°171.0°
H15C15C17H178.8°51.0°
H16O16C15N14108.5°180.0°
H16O16C15C1732.8°62.0°
C1C2C3H2390.0°120.0°
C1C2C3H2490.0°120.0°
C1C2C3C490.0°180.0°
C2C1H1H290.0°120.0°
C2C1H1H390.0°120.1°
C2C1H2H390.0°120.0°
C1C2H23H2490.0°120.0°
C1C2C3H3190.0°60.0°
C2C3C4H3190.0°120.0°
C2C3C4C590.0°NaN°
C3C2C1H190.0°180.0°
C3C2C1H290.0°60.0°
C3C2C1H390.0°60.0°
C3C2H23H2490.0°120.0°
C3C4C5C690.0°180.0°
C4C3C2H2390.0°60.0°
C4C3C2H2490.0°60.0°
C4C5C6C790.0°180.0°
C5C4C3H3190.0°60.0°
C5C6C7C890.0°180.0°
C6C7C8N990.0°180.0°
C7C8N9C1090.0°180.0°
C7C8N9H990.0°0.1°
C8N9C10H9180.0°179.9°
C8N9C10N113.1°0.0°
C8N9C10N14176.8°179.7°
N9C10N11N14179.9°179.8°
N9C10N11C12180.0°177.1°
N9C10N14C13179.7°172.7°
N9C10N14C151.7°9.9°
N9C10N11H110.0°3.0°
C10N11C12H11180.0°180.0°
C10N11C12C130.4°2.6°
N11C10N14C130.2°7.1°
N11C10N14C15178.4°170.4°
C10N11C12H121119.6°116.1°
C10N11C12H122122.8°121.3°
N11C10N9H9176.9°179.9°
N11C12C13H121120.0°118.8°
N11C12C13H122122.4°118.7°
C12N11C10N140.1°2.7°
N11C12C13N140.5°6.4°
N11C12C13C21115.4°121.8°
N11C12H121H122122.7°122.5°
N11C12C13H13125.6°113.4°
C12C13N14C100.5°8.2°
C12C13N14C21123.9°117.5°
C12C13N14H13117.5°119.9°
C12C13N14C15178.3°169.4°
C12C13C21H13117.9°124.6°
C12C13C21C19169.8°166.8°
C12C13C21O2247.5°73.8°
C13C12N11H11179.6°177.4°
C13C12H121H122122.7°122.4°
C12C13C21H2170.4°46.6°
C10N14C13C15178.7°177.6°
C10N14C15O1659.5°113.6°
C10N14C15C17161.0°126.8°
C10N14C13C21124.3°125.8°
N14C10N11H11179.9°177.3°
C10N14C13H13117.1°111.7°
N14C10N9H93.2°0.2°
C13N14C15O16122.0°69.2°
C13N14C15C1717.4°50.4°
N14C13C21H13126.0°122.2°
N14C13C21C1974.1°53.5°
N14C13C21O22163.6°172.9°
N14C13C12H121119.5°112.4°
N14C13C12H122122.9°125.1°
N14C13C21H2145.8°66.7°
N14C15O16C17141.2°118.0°
N14C15C17O18130.5°171.6°
N14C15C17C191.6°51.5°
C15N14C13C2154.4°51.9°
C15N14C13H1364.2°70.7°
N14C15C17H17114.2°68.4°
O16C15C17O1812.3°52.1°
O16C15C17C19141.1°68.0°
O16C15C17H17103.0°172.0°
C15C17O18C19131.9°120.2°
C15C17O18H17110.9°119.9°
C15C17C19H17111.0°120.0°
C15C17C19O20140.0°177.3°
C15C17C19C2124.9°62.6°
C15C17O18H18143.7°60.0°
C15C17C19H1996.0°57.7°
O18C17C19H17116.9°119.9°
O18C17C19O2087.8°57.3°
O18C17C19C21157.0°177.3°
O18C17C19H1936.2°62.3°
C17C19O20C21118.9°120.7°
C17C19O20H19120.7°119.6°
C17C19C21C1362.3°63.4°
C17C19C21H19121.1°120.3°
C17C19C21O22179.0°177.1°
C17C19C21H2161.1°56.5°
C19C17O18H1811.8°179.8°
C17C19O20H2038.2°59.9°
O20C19C21C13177.1°176.5°
O20C19C21H19124.0°119.6°
O20C19C21O2264.1°57.0°
O20C19C21H2153.8°63.6°
O20C19C17H1729.1°62.7°
C13C21C19O22118.8°119.4°
C13C21C19H21123.3°119.9°
C13C21O22H21123.4°120.3°
C21C13C12H1214.6°3.0°
C21C13C12H122122.2°119.5°
C13C21C19H1958.8°56.9°
C13C21O22H2287.2°180.0°
C19C21O22H21119.9°120.9°
C19C21C13H1351.9°68.6°
C21C19C17H1786.1°57.4°
C21C19O20H2080.6°179.3°
C19C21O22H22156.1°61.3°
O22C21C13H1370.4°50.8°
O22C21C19H1959.9°62.6°
H11N11C12H12160.4°63.8°
H11N11C12H12257.2°58.7°
H121C12C13H13114.4°127.8°
H122C12C13H133.1°5.3°
H13C13C21H21171.8°171.2°
H21C21C19H19177.8°176.8°
H21C21O22H2236.2°59.6°
H17C17O18H18105.4°59.9°
H17C17C19H19153.1°177.8°
H19C19O20H20158.9°59.6°
H1C1H2H390.0°120.0°
H1C1C2H2390.0°60.0°
H1C1C2H2490.0°60.1°
H2C1C2H2390.0°60.0°
H2C1C2H2490.0°179.9°
H3C1C2H2390.0°180.0°
H3C1C2H2490.0°60.0°
H23C2C3H3190.0°180.0°
H24C2C3H3190.0°60.0°

222624

PDB entries from 2024-07-17

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