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87C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C21sing1.53Å1.51Å
C01C02sing1.53Å1.52Å
C21C20sing1.53Å1.51Å
C20O22sing1.43Å1.42Å
C20C04sing1.53Å1.54Å
C02N03sing1.47Å1.47Å
C04N03sing1.47Å1.47Å
C04C05sing1.53Å1.53Å
C05C06sing1.51Å1.53Å
C06O19doub1.21Å1.20Å
C06C07sing1.51Å1.54Å
C07N08sing1.47Å1.47Å
N08C09sing1.35Å1.35Å
N08C17sing1.35Å1.38Å
O18C17doub1.22Å1.20Å
C09N10doub1.30Å1.29Å
C17C12sing1.41Å1.37Å
N10C11sing1.34Å1.38Å
C12C11doub1.35Å1.39Å
C12C13sing1.50Å1.51Å
C11C16sing1.51Å1.51Å
C13C14sing1.53Å1.50Å
C16C15sing1.53Å1.51Å
C14C15sing1.53Å1.50Å
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C14H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C16H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C09H9sing1.08Å1.08Å
C07H10sing1.09Å1.10Å
C07H11sing1.09Å1.10Å
C05H12sing1.09Å1.10Å
C05H13sing1.09Å1.10Å
C04H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
O22H16sing0.97Å0.95Å
C21H17sing1.09Å1.10Å
C21H18sing1.09Å1.10Å
C01H19sing1.09Å1.10Å
C01H20sing1.09Å1.10Å
C02H21sing1.09Å1.10Å
C02H22sing1.09Å1.10Å
N03H23sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C01C02111.6°109.3°
C01C21C20108.9°109.2°
C01C21H17109.6°109.6°
C01C21H18109.6°109.6°
C21C01H19109.0°109.5°
C21C01H20108.9°109.5°
C01C02N03113.3°109.6°
C02C01H19108.9°109.5°
C02C01H20109.0°109.5°
C01C02H21108.5°109.5°
C01C02H22108.5°109.5°
C21C20O22110.0°109.5°
C21C20C04111.0°109.3°
C21C20H15107.5°109.6°
C20C21H17109.6°109.5°
C20C21H18109.6°109.5°
O22C20C04112.5°109.5°
O22C20H15108.6°109.5°
C20O22H16109.5°114.0°
C20C04N03113.4°109.5°
C20C04C05113.5°109.5°
C20C04H14104.3°109.4°
C04C20H15107.1°109.5°
C02N03C04109.0°111.2°
N03C02H21108.5°109.5°
N03C02H22108.5°109.4°
C02N03H23109.6°111.0°
N03C04C05114.8°109.5°
N03C04H14105.0°109.5°
C04N03H23109.6°111.0°
C04C05C06113.7°109.5°
C04C05H12108.4°109.4°
C04C05H13108.4°109.5°
C05C04H14104.4°109.4°
C05C06O19122.6°120.0°
C05C06C07114.5°119.9°
C06C05H12108.4°109.5°
C06C05H13108.4°109.5°
O19C06C07122.9°120.1°
C06C07N08111.4°109.4°
C06C07H10109.0°109.5°
C06C07H11109.0°109.5°
C07N08C09119.1°120.2°
C07N08C17120.7°120.2°
N08C07H10109.0°109.5°
N08C07H11109.0°109.4°
C09N08C17120.1°119.6°
N08C09N10121.4°121.4°
N08C09H9119.3°119.3°
N08C17O18120.7°120.5°
N08C17C12119.3°118.9°
O18C17C12120.0°120.6°
C09N10C11121.4°122.0°
N10C09H9119.3°119.3°
C17C12C11118.4°118.7°
C17C12C13119.2°118.2°
N10C11C12119.2°119.4°
N10C11C16119.0°117.9°
C11C12C13122.3°123.1°
C12C11C16121.8°122.7°
C12C13C14109.7°110.6°
C12C13H1109.4°109.3°
C12C13H2109.4°109.3°
C11C16C15110.5°110.6°
C11C16H7109.2°109.3°
C11C16H8109.2°109.3°
C13C14C15108.7°108.3°
C14C13H1109.4°109.2°
C14C13H2109.4°109.2°
C13C14H3109.7°109.7°
C13C14H4109.6°109.7°
C16C15C14109.4°108.4°
C16C15H5109.5°109.7°
C16C15H6109.5°109.7°
C15C16H7109.2°109.2°
C15C16H8109.2°109.2°
C15C14H3109.6°109.6°
C15C14H4109.7°109.7°
C14C15H5109.5°109.7°
C14C15H6109.5°109.7°
H1C13H2109.5°109.2°
H3C14H4109.5°109.7°
H5C15H6109.5°109.7°
H7C16H8109.5°109.2°
H10C07H11109.4°109.5°
H12C05H13109.5°109.5°
H17C21H18109.4°109.5°
H19C01H20109.5°109.5°
H21C02H22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C01C02H19120.3°119.9°
C21C01C02H20120.3°120.0°
C01C21C20H17119.9°120.0°
C01C21C20H18119.9°119.9°
C01C21C20O22177.4°62.3°
C01C21C20C0457.4°57.6°
C21C01C02N037.7°59.1°
C01C21C20H1559.4°177.6°
C01C21H17H18120.2°120.2°
C21C01H19H20119.0°120.1°
C21C01C02H21128.2°179.2°
C21C01C02H22112.9°60.9°
C02C01C21C2050.1°57.6°
C01C02N03H21120.6°120.1°
C01C02N03H22120.6°120.1°
C01C02N03C0459.4°61.7°
C02C01C21H17170.0°177.5°
C02C01C21H1869.8°62.3°
C02C01H19H20119.0°120.1°
C01C02H21H22118.3°120.0°
C01C02N03H2360.5°62.4°
C21C20O22C04124.3°119.8°
C21C20O22H15117.4°120.1°
C21C20C04H15117.0°120.0°
C21C20C04N036.4°59.2°
C21C20C04C05126.9°179.2°
C21C20C04H14120.1°60.8°
C21C20O22H16180.0°60.2°
C20C21H17H18120.3°120.1°
C20C21C01H19170.4°62.3°
C20C21C01H2070.2°177.6°
O22C20C04H15119.2°120.1°
O22C20C04N03130.2°60.8°
O22C20C04C053.1°59.3°
O22C20C04H14116.1°179.2°
O22C20C21H1757.5°57.7°
O22C20C21H1862.7°177.8°
C20C04N03C0251.5°61.7°
C20C04N03C05132.7°120.0°
C20C04N03H14113.3°120.0°
C20C04C05H14113.0°120.0°
C20C04C05C0674.3°175.0°
C20C04C05H12165.1°65.1°
C20C04C05H1346.3°54.9°
C04C20O22H1655.7°180.0°
C04C20C21H17177.3°177.6°
C04C20C21H1862.5°62.3°
C20C04N03H2368.5°62.3°
C02N03C04H23119.9°124.0°
C02N03C04C05175.9°178.2°
C02N03C04H1461.8°58.3°
N03C02C01H19112.7°60.8°
N03C02C01H20128.0°179.1°
N03C02H21H22118.3°119.9°
N03C04C05H14114.4°120.0°
N03C04C05C0658.3°65.0°
N03C04C05H1262.3°55.0°
N03C04C05H13178.9°175.0°
N03C04C20H15110.6°179.2°
C04N03C02H21180.0°178.2°
C04N03C02H2261.1°58.4°
C04C05C06H12120.6°119.9°
C04C05C06H13120.6°120.0°
C04C05C06O1926.6°0.0°
C04C05C06C07150.6°180.0°
C04C05H12H13118.1°120.0°
C05C04C20H15116.1°60.8°
C05C04N03H2364.2°57.7°
C05C06O19C07176.9°180.0°
C05C06C07N08144.2°180.0°
C05C06C07H1023.9°60.0°
C05C06C07H1195.5°60.1°
C06C05H12H13118.1°120.1°
C06C05C04H14172.7°55.0°
O19C06C07N0838.7°0.1°
O19C06C07H10159.0°120.0°
O19C06C07H1181.6°120.0°
O19C06C05H1294.1°120.0°
O19C06C05H13147.2°120.0°
C06C07N08H10120.3°120.0°
C06C07N08H11120.3°120.0°
C06C07N08C09109.2°90.0°
C06C07N08C1773.2°90.1°
C06C07H10H11119.1°120.1°
C07C06C05H1288.8°60.0°
C07C06C05H1330.0°60.0°
C07N08C09C17177.5°180.0°
C07N08C17O181.0°0.0°
C07N08C09N10178.3°179.8°
C07N08C17C12179.0°179.9°
C07N08C09H91.7°0.2°
N08C07H10H11119.1°119.9°
C09N08C17O18178.5°180.0°
N08C09N10H9180.0°180.0°
C09N08C17C123.5°0.0°
N08C09N10C113.4°0.1°
C09N08C07H10130.5°150.0°
C09N08C07H1111.1°30.0°
N08C17O18C12178.0°180.0°
C17N08C09N104.1°0.2°
N08C17C12C112.2°0.5°
N08C17C12C13179.8°179.5°
C17N08C09H9175.8°179.7°
C17N08C07H1047.1°30.0°
C17N08C07H11166.4°150.0°
O18C17C12C11179.8°179.6°
O18C17C12C131.7°0.5°
C09N10C11C122.0°0.4°
C09N10C11C16179.7°179.4°
C17C12C11N101.4°0.6°
C17C12C11C13178.0°179.9°
C17C12C11C16179.7°179.1°
C17C12C13C14161.6°162.4°
C17C12C13H141.6°77.4°
C17C12C13H278.3°42.1°
N10C11C12C16178.3°179.7°
N10C11C12C13179.4°179.3°
N10C11C16C15164.6°162.3°
N10C11C16H744.4°77.5°
N10C11C16H875.3°42.0°
C11N10C09H9176.6°179.9°
C11C12C13C1420.4°17.7°
C12C11C16C1517.1°18.0°
C11C12C13H1140.4°102.6°
C11C12C13H299.7°138.0°
C12C11C16H7137.3°102.2°
C12C11C16H8103.1°138.3°
C13C12C11C162.3°1.0°
C12C13C14H1120.0°120.3°
C12C13C14H2120.0°120.3°
C12C13C14C1553.2°50.5°
C12C13H1H2119.9°119.5°
C12C13C14H366.7°170.2°
C12C13C14H4173.1°69.2°
C11C16C15H7120.2°120.3°
C11C16C15H8120.1°120.3°
C11C16C15C1450.2°50.9°
C11C16C15H569.8°68.8°
C11C16C15H6170.2°170.6°
C11C16H7H8119.5°119.5°
C13C14C15C1671.0°69.1°
C13C14C15H3119.9°119.7°
C13C14C15H4119.9°119.7°
C14C13H1H2119.9°119.4°
C13C14H3H4120.3°120.6°
C13C14C15H548.9°50.6°
C13C14C15H6169.0°171.2°
C16C15C14H5120.0°119.7°
C16C15C14H6120.0°119.7°
C16C15C14H348.9°171.2°
C16C15C14H4169.1°50.6°
C16C15H5H6120.1°120.5°
C15C16H7H8119.6°119.4°
C15C14C13H1173.2°69.8°
C15C14C13H266.9°170.8°
C15C14H3H4120.3°120.6°
C14C15H5H6120.0°120.5°
C14C15C16H7170.3°69.3°
C14C15C16H869.9°171.3°
H1C13C14H353.3°49.9°
H1C13C14H466.9°170.5°
H2C13C14H3173.3°69.5°
H2C13C14H453.0°51.1°
H3C14C15H5168.9°69.1°
H3C14C15H671.1°51.4°
H4C14C15H570.9°170.3°
H4C14C15H649.1°69.2°
H5C15C16H750.4°170.9°
H5C15C16H8170.1°51.5°
H6C15C16H769.7°50.4°
H6C15C16H850.0°69.0°
H12C05C04H1452.1°175.0°
H13C05C04H1466.7°65.1°
H14C04C20H153.1°59.2°
H14C04N03H23178.2°177.7°
H15C20O22H1662.6°60.0°
H15C20C21H1760.6°62.5°
H15C20C21H18179.3°57.6°
H17C21C01H1969.7°57.6°
H17C21C01H2049.7°62.5°
H18C21C01H1950.5°177.8°
H18C21C01H20169.8°57.7°
H19C01C02H217.9°59.3°
H19C01C02H22126.8°179.2°
H20C01C02H21111.5°60.8°
H20C01C02H227.4°59.1°
H21C02N03H2360.1°57.7°
H22C02N03H23179.0°177.6°

222415

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