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E01

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C11sing1.53Å1.51Å
C15C12sing1.53Å1.51Å
C11C10sing1.53Å1.50Å
C11C4sing1.53Å1.55Å
C10C9sing1.53Å1.51Å
C6C5sing1.53Å1.53Å
C6C1sing1.53Å1.50Å
N1C1sing1.47Å1.44Å
C12C13sing1.53Å1.50Å
C12C14sing1.53Å1.51Å
C4C5sing1.53Å1.54Å
C4C3sing1.53Å1.55Å
C4C7sing1.53Å1.56Å
C13C9sing1.53Å1.50Å
C3C2sing1.53Å1.54Å
C9C8sing1.53Å1.51Å
C1C2sing1.53Å1.50Å
C14C7sing1.53Å1.51Å
C7C8sing1.53Å1.50Å
C1H1sing1.09Å1.10Å
C2H2Bsing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3H3Bsing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C5H5Bsing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C6H6Bsing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C14H14Bsing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C15H15Bsing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C10H10Bsing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C8H8Bsing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C13H13Bsing1.09Å1.10Å
N1H1Bsing1.01Å1.00Å
N1H1Asing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C15C12109.9°109.5°
C15C11C10108.4°109.5°
C15C11C4111.3°109.4°
C11C15H15A109.3°109.5°
C11C15H15B109.4°109.5°
C15C11H11109.4°109.4°
C15C12C13108.2°109.5°
C15C12C14110.7°109.5°
C12C15H15A109.4°109.4°
C12C15H15B109.4°109.5°
C15C12H12109.4°109.5°
C10C11C4109.3°109.5°
C11C10C9110.6°109.5°
C10C11H11109.5°109.5°
C11C10H10B109.2°109.5°
C11C10H10A109.2°109.5°
C11C4C5117.1°109.5°
C11C4C3116.1°109.4°
C11C4C7106.0°109.5°
C4C11H11108.9°109.5°
C10C9C13110.0°109.5°
C10C9C8110.0°109.5°
C9C10H10B109.2°109.5°
C9C10H10A109.2°109.4°
C10C9H9109.5°109.5°
C5C6C1108.7°109.4°
C6C5C4113.1°109.5°
C6C5H5B108.6°109.4°
C6C5H5A108.5°109.5°
C5C6H6B109.7°109.5°
C5C6H6A109.7°109.4°
C6C1N1109.2°109.4°
C6C1C2110.9°109.5°
C6C1H1108.9°109.5°
C1C6H6B109.6°109.5°
C1C6H6A109.6°109.5°
N1C1C2109.3°109.4°
N1C1H1109.8°109.5°
C1N1H1B109.5°111.0°
C1N1H1A109.4°111.0°
C13C12C14109.5°109.5°
C12C13C9109.0°109.5°
C13C12H12109.6°109.5°
C12C13H13A109.6°109.5°
C12C13H13B109.6°109.5°
C12C14C7110.2°109.5°
C12C14H14A109.3°109.5°
C12C14H14B109.3°109.5°
C14C12H12109.4°109.5°
C5C4C3103.9°109.5°
C5C4C7105.0°109.5°
C4C5H5B108.5°109.5°
C4C5H5A108.6°109.5°
C3C4C7107.9°109.5°
C4C3C2115.6°109.5°
C4C3H3B107.9°109.5°
C4C3H3A107.9°109.5°
C4C7C14109.9°109.5°
C4C7C8112.7°109.5°
C4C7H7108.9°109.5°
C13C9C8108.4°109.4°
C13C9H9109.5°109.5°
C9C13H13A109.6°109.4°
C9C13H13B109.6°109.5°
C3C2C1111.2°109.5°
C3C2H2B109.0°109.5°
C3C2H2A109.1°109.5°
C2C3H3B107.9°109.5°
C2C3H3A107.9°109.4°
C9C8C7110.0°109.5°
C9C8H8A109.4°109.5°
C9C8H8B109.4°109.5°
C8C9H9109.4°109.4°
C2C1H1108.8°109.5°
C1C2H2B109.0°109.5°
C1C2H2A109.0°109.5°
C14C7C8106.2°109.5°
C7C14H14A109.3°109.5°
C7C14H14B109.3°109.4°
C14C7H7109.5°109.4°
C8C7H7109.6°109.5°
C7C8H8A109.3°109.5°
C7C8H8B109.4°109.5°
H2BC2H2A109.5°109.4°
H3BC3H3A109.5°109.5°
H5BC5H5A109.5°109.5°
H6BC6H6A109.5°109.5°
H14AC14H14B109.5°109.5°
H15AC15H15B109.5°109.5°
H10BC10H10A109.5°109.5°
H8AC8H8B109.5°109.4°
H13AC13H13B109.5°109.4°
H1BN1H1A109.4°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C15C12H15A120.1°120.0°
C11C15C12H15B120.1°120.0°
C15C11C10C4121.5°120.0°
C15C11C10H11119.3°120.0°
C15C11C4H11120.7°119.9°
C15C11C10C958.1°60.0°
C11C15C12C1362.7°60.0°
C11C15C12C1457.4°60.0°
C15C11C4C556.7°60.0°
C15C11C4C3179.9°180.0°
C15C11C4C760.1°60.1°
C11C15H15AH15B119.8°120.1°
C11C15C12H12178.0°180.0°
C15C11C10H10B62.1°60.0°
C15C11C10H10A178.3°180.0°
C12C15C11C1060.5°60.0°
C12C15C11C459.7°60.0°
C15C12C13C14120.7°120.0°
C15C12C13H12119.2°120.1°
C15C12C14H12120.6°120.1°
C15C12C13C961.6°60.0°
C15C12C14C758.6°60.0°
C15C12C14H14A61.5°60.0°
C15C12C14H14B178.7°180.0°
C12C15H15AH15B119.8°120.0°
C12C15C11H11179.9°180.0°
C15C12C13H13A178.5°180.0°
C15C12C13H13B58.4°60.1°
C10C11C4H11119.6°120.0°
C11C10C9H10B120.2°120.0°
C11C10C9H10A120.2°120.0°
C10C11C4C5176.3°180.0°
C10C11C4C360.2°60.0°
C10C11C4C759.6°60.0°
C11C10C9C1358.6°60.0°
C11C10C9C860.7°60.0°
C10C11C15H15A179.4°60.0°
C10C11C15H15B59.6°180.0°
C11C10H10BH10A119.5°120.0°
C11C10C9H9178.9°179.9°
C4C11C10C963.3°60.0°
C11C4C5C693.5°60.0°
C11C4C5C3129.5°120.0°
C11C4C5C7117.3°120.0°
C11C4C3C7118.8°119.9°
C11C4C3C2158.8°60.0°
C11C4C7C1460.3°60.1°
C11C4C7C857.9°60.0°
C11C4C3H3B80.3°60.0°
C11C4C3H3A37.9°180.0°
C11C4C5H5B145.9°60.0°
C11C4C5H5A27.0°180.0°
C4C11C15H15A60.4°180.0°
C4C11C15H15B179.8°60.0°
C4C11C10H10B176.5°180.0°
C4C11C10H10A56.8°60.0°
C11C4C7H7179.7°180.0°
C10C9C13C1259.9°60.0°
C10C9C13C8120.4°119.9°
C10C9C13H9120.3°120.1°
C10C9C8H9120.3°120.0°
C10C9C8C756.6°60.0°
C9C10C11H11177.4°180.0°
C9C10H10BH10A119.5°120.0°
C10C9C8H8A176.6°60.0°
C10C9C8H8B63.5°180.0°
C10C9C13H13A179.9°180.0°
C10C9C13H13B60.0°60.1°
C5C6C1H6B119.9°120.0°
C5C6C1H6A119.9°120.0°
C5C6C1N1156.2°180.0°
C6C5C4H5B120.5°120.0°
C6C5C4H5A120.5°120.0°
C6C5C4C336.0°60.0°
C6C5C4C7149.1°180.0°
C5C6C1C235.7°60.0°
C5C6C1H184.0°60.0°
C6C5H5BH5A118.3°120.0°
C5C6H6BH6A120.4°120.0°
C6C1N1C2121.5°120.0°
C6C1N1H1119.2°120.0°
C1C6C5C473.5°60.0°
C6C1C2C325.4°60.0°
C6C1C2H1119.7°120.1°
C6C1C2H2B94.8°60.0°
C6C1C2H2A145.7°179.9°
C1C6C5H5B47.0°180.0°
C1C6C5H5A166.0°60.0°
C1C6H6BH6A120.3°120.1°
C6C1N1H1B180.0°60.1°
C6C1N1H1A60.0°176.1°
N1C1C2C395.0°180.0°
N1C1C2H1119.9°120.0°
N1C1C2H2B144.8°60.0°
N1C1C2H2A25.3°60.0°
N1C1C6H6B36.3°60.1°
N1C1C6H6A84.0°60.0°
C1N1H1BH1A120.0°123.9°
C13C12C14H12120.1°120.0°
C12C13C9H13A119.9°120.0°
C12C13C9H13B119.9°120.0°
C12C13C9C860.4°60.0°
C13C12C14C760.6°60.0°
C13C12C14H14A179.2°180.0°
C13C12C14H14B59.5°60.0°
C13C12C15H15A177.3°60.0°
C13C12C15H15B57.4°180.0°
C12C13C9H9179.7°180.0°
C12C13H13AH13B120.2°120.0°
C12C14C7C460.9°60.0°
C14C12C13C959.2°60.0°
C12C14C7H14A120.1°120.0°
C12C14C7H14B120.1°120.0°
C12C14C7C861.3°60.0°
C12C14H14AH14B119.7°120.0°
C14C12C15H15A62.7°180.0°
C14C12C15H15B177.5°60.0°
C12C14C7H7179.6°180.0°
C14C12C13H13A60.8°60.0°
C14C12C13H13B179.1°180.0°
C5C4C3C7111.1°120.0°
C5C4C3C228.6°60.0°
C5C4C7C1464.4°60.0°
C5C4C7C8177.4°180.0°
C5C4C3H3B149.5°180.0°
C5C4C3H3A92.2°60.0°
C4C5H5BH5A118.4°120.0°
C4C5C6H6B46.4°180.0°
C4C5C6H6A166.6°60.0°
C5C4C11H1164.0°60.0°
C5C4C7H755.6°60.0°
C4C3C2H3B120.9°120.0°
C4C3C2H3A120.9°120.0°
C4C3C2C163.9°60.0°
C3C4C7C14174.7°NaN°
C3C4C7C867.1°60.0°
C4C3C2H2B56.4°60.0°
C4C3C2H2A175.9°180.0°
C4C3H3BH3A117.2°120.0°
C3C4C5H5B84.6°180.0°
C3C4C5H5A156.5°60.0°
C3C4C11H1159.4°60.1°
C3C4C7H754.7°60.0°
C7C4C3C282.4°180.0°
C4C7C8C957.2°60.0°
C4C7C14C8122.1°120.0°
C4C7C14H7119.6°120.0°
C4C7C8H7121.4°120.0°
C7C4C3H3B38.5°60.0°
C7C4C3H3A156.7°60.1°
C7C4C5H5B28.6°60.0°
C7C4C5H5A90.3°60.0°
C4C7C14H14A59.3°60.0°
C4C7C14H14B179.0°180.0°
C7C4C11H11179.2°180.0°
C4C7C8H8A177.3°60.0°
C4C7C8H8B62.9°180.0°
C13C9C8H9119.3°120.0°
C13C9C8C763.8°60.0°
C9C13C12H12179.2°180.0°
C13C9C10H10B61.6°60.0°
C13C9C10H10A178.8°180.0°
C13C9C8H8A56.3°180.0°
C13C9C8H8B176.1°60.1°
C9C13H13AH13B120.2°120.0°
C3C2C1H2B120.2°120.0°
C3C2C1H2A120.3°120.1°
C3C2C1H1145.2°60.1°
C3C2H2BH2A119.2°120.1°
C2C3H3BH3A117.2°119.9°
C9C8C7C1463.2°60.0°
C9C8C7H8A120.1°120.0°
C9C8C7H8B120.1°120.0°
C8C9C10H10B179.1°180.0°
C8C9C10H10A59.4°60.0°
C9C8C7H7178.6°180.0°
C9C8H8AH8B119.8°120.0°
C8C9C13H13A59.5°60.0°
C8C9C13H13B179.7°180.0°
C1C2H2BH2A119.2°120.0°
C1C2C3H3B175.2°180.0°
C1C2C3H3A57.0°60.0°
C2C1C6H6B84.2°180.0°
C2C1C6H6A155.6°59.9°
C2C1N1H1B58.5°179.9°
C2C1N1H1A61.5°56.1°
C14C7C8H7118.3°120.0°
C7C14H14AH14B119.7°120.0°
C7C14C12H12179.2°179.9°
C14C7C8H8A56.9°180.0°
C14C7C8H8B176.8°60.0°
C8C7C14H14A178.6°180.0°
C8C7C14H14B58.8°60.0°
C7C8H8AH8B119.8°120.0°
C7C8C9H9176.9°180.0°
H1C1C2H2B24.9°179.9°
H1C1C2H2A94.6°60.0°
H1C1C6H6B156.1°59.9°
H1C1C6H6A35.8°180.0°
H1C1N1H1B60.8°59.9°
H1C1N1H1A179.2°63.9°
H2BC2C3H3B64.5°60.0°
H2BC2C3H3A177.3°180.0°
H2AC2C3H3B55.0°60.0°
H2AC2C3H3A63.2°60.0°
H5BC5C6H6B166.9°60.0°
H5BC5C6H6A72.8°60.0°
H5AC5C6H6B74.2°60.0°
H5AC5C6H6A46.1°180.0°
H14AC14C12H1259.1°60.0°
H14AC14C7H760.3°60.0°
H14BC14C12H1260.7°60.0°
H14BC14C7H759.5°60.0°
H15AC15C12H1257.9°60.0°
H15AC15C11H1160.1°60.1°
H15BC15C12H1261.9°60.0°
H15BC15C11H1159.8°60.0°
H12C12C13H13A59.2°60.0°
H12C12C13H13B60.9°60.0°
H11C11C10H10B57.2°60.0°
H11C11C10H10A62.4°60.0°
H10BC10C9H958.8°60.0°
H10AC10C9H960.9°60.0°
H7C7C8H8A61.3°60.0°
H7C7C8H8B58.5°59.9°
H8AC8C9H963.1°60.0°
H8BC8C9H956.8°60.0°
H9C9C13H13A59.8°59.9°
H9C9C13H13B60.3°60.0°

222624

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