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NB9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O11C09doub1.21Å1.25Å
C09O10sing1.34Å1.29Å
C09C08sing1.51Å1.50Å
C08O07sing1.43Å1.43Å
C05C04sing1.53Å1.53Å
C05C06sing1.53Å1.49Å
C04N03sing1.47Å1.51Å
C06O07sing1.43Å1.43Å
C06C01sing1.53Å1.49Å
C18C17doub1.38Å1.39ÅAromatic
C18C19sing1.39Å1.39ÅAromatic
O25C24doub1.21Å1.20Å
C01C02sing1.53Å1.53Å
O22C19sing1.36Å1.39Å
N03C02sing1.47Å1.51Å
N03C12sing1.35Å1.49Å
C17C16sing1.38Å1.39ÅAromatic
C19C20doub1.39Å1.38ÅAromatic
C24C26sing1.48Å1.55Å
C24N23sing1.35Å1.49Å
C14N23sing1.47Å1.51Å
C14C12sing1.51Å1.54Å
C14C15sing1.53Å1.55Å
C27C26doub1.40Å1.40ÅAromatic
C27C28sing1.38Å1.40ÅAromatic
C26C31sing1.40Å1.38ÅAromatic
C28C29doub1.39Å1.37ÅAromatic
C12O13doub1.21Å1.14Å
C31C30doub1.38Å1.38ÅAromatic
C16C15sing1.51Å1.57Å
C16C21doub1.38Å1.40ÅAromatic
N33C32doub1.30Å1.28Å
C29C30sing1.40Å1.41ÅAromatic
C29C32sing1.48Å1.49Å
C20C21sing1.38Å1.39ÅAromatic
C32N34sing1.38Å1.44Å
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C02H3sing1.09Å1.10Å
C02H4sing1.09Å1.10Å
C04H5sing1.09Å1.10Å
C04H6sing1.09Å1.10Å
C05H7sing1.09Å1.10Å
C05H8sing1.09Å1.10Å
C06H9sing1.09Å1.10Å
C08H10sing1.09Å1.10Å
C08H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C17H15sing1.08Å1.08Å
C18H16sing1.08Å1.08Å
C20H17sing1.08Å1.08Å
C21H18sing1.08Å1.08Å
C27H19sing1.08Å1.08Å
C28H20sing1.08Å1.08Å
C30H21sing1.08Å1.08Å
C31H22sing1.08Å1.08Å
N23H23sing0.97Å1.00Å
N33H24sing0.97Å1.00Å
N34H25sing0.97Å1.00Å
N34H26sing0.97Å1.00Å
O10H27sing0.97Å0.95Å
O22H28sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O11C09O10119.9°120.0°
O11C09C08118.9°120.0°
O10C09C08121.2°120.0°
C09O10H27109.5°117.0°
C09C08O07109.4°109.5°
C09C08H10109.5°109.4°
C09C08H11109.5°109.5°
C08O07C06113.5°114.0°
O07C08H10109.5°109.5°
O07C08H11109.5°109.5°
C04C05C06115.8°109.3°
C05C04N03113.0°108.8°
C05C04H5108.6°109.6°
C05C04H6108.6°109.7°
C04C05H7107.8°109.5°
C04C05H8107.9°109.5°
C05C06O07109.0°109.5°
C05C06C01118.0°109.5°
C06C05H7107.9°109.5°
C06C05H8107.8°109.5°
C05C06H9106.8°109.5°
C04N03C02110.2°118.7°
C04N03C12123.7°120.6°
N03C04H5108.6°109.6°
N03C04H6108.6°109.6°
O07C06C01108.1°109.4°
O07C06H9107.6°109.5°
C06C01C02116.8°109.3°
C06C01H1107.6°109.5°
C06C01H2107.6°109.5°
C01C06H9106.9°109.5°
C17C18C19120.1°120.0°
C18C17C16119.7°120.0°
C18C17H15120.2°120.0°
C17C18H16119.9°120.0°
C18C19O22120.0°120.0°
C18C19C20120.2°119.9°
C19C18H16119.9°120.1°
O25C24C26121.9°120.0°
O25C24N23121.8°120.0°
C01C02N03112.6°108.8°
C02C01H1107.6°109.5°
C02C01H2107.6°109.5°
C01C02H3108.7°109.6°
C01C02H4108.7°109.6°
O22C19C20119.8°120.1°
C19O22H28109.5°113.9°
C02N03C12126.1°120.6°
N03C02H3108.7°109.6°
N03C02H4108.7°109.7°
N03C12C14118.8°120.0°
N03C12O13120.9°120.0°
C17C16C15119.8°119.9°
C17C16C21120.1°120.1°
C16C17H15120.2°119.9°
C19C20C21120.1°119.9°
C19C20H17120.0°120.0°
C26C24N23116.4°120.0°
C24C26C27122.2°120.0°
C24C26C31117.1°120.0°
C24N23C14122.1°120.0°
C24N23H23119.0°120.0°
N23C14C12110.2°109.4°
N23C14C15109.2°109.5°
N23C14H12109.2°109.5°
C14N23H23118.9°120.0°
C12C14C15110.8°109.5°
C14C12O13120.3°120.0°
C12C14H12108.8°109.4°
C14C15C16111.1°109.5°
C15C14H12108.6°109.5°
C14C15H13109.1°109.5°
C14C15H14109.1°109.4°
C26C27C28119.2°120.0°
C27C26C31120.8°120.0°
C26C27H19120.4°120.0°
C27C28C29119.9°120.0°
C28C27H19120.4°120.0°
C27C28H20120.0°120.0°
C26C31C30120.0°120.0°
C26C31H22120.0°120.0°
C28C29C30120.6°120.0°
C28C29C32120.0°120.0°
C29C28H20120.1°119.9°
C31C30C29119.5°120.0°
C31C30H21120.3°120.0°
C30C31H22120.0°120.0°
C15C16C21120.1°120.0°
C16C15H13109.1°109.5°
C16C15H14109.1°109.5°
C16C21C20119.8°120.1°
C16C21H18120.1°119.9°
N33C32C29119.0°120.0°
N33C32N34120.8°120.1°
C32N33H24112.0°120.0°
C30C29C32119.4°119.9°
C29C30H21120.3°120.0°
C29C32N34120.2°120.0°
C21C20H17120.0°120.0°
C20C21H18120.1°120.0°
C32N34H25120.0°120.0°
C32N34H26120.0°120.0°
H1C01H2109.5°109.4°
H3C02H4109.5°109.6°
H5C04H6109.5°109.6°
H7C05H8109.5°109.5°
H10C08H11109.4°109.5°
H13C15H14109.5°109.4°
H25N34H26120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O11C09O10C08179.9°179.9°
O11C09C08O07172.3°0.1°
O11C09C08H1052.3°120.0°
O11C09C08H1167.7°120.0°
O11C09O10H270.0°0.1°
O10C09C08O077.8°180.0°
O10C09C08H10127.8°60.1°
O10C09C08H11112.2°59.9°
C09C08O07H10120.0°119.9°
C09C08O07H11120.0°120.0°
C09C08O07C0688.6°179.9°
C09C08H10H11120.0°120.0°
C08C09O10H27179.9°180.0°
C08O07C06C0560.1°150.0°
C08O07C06C01170.5°89.9°
C08O07C06H955.4°30.0°
O07C08H10H11120.1°120.1°
C04C05C06H7120.9°120.0°
C04C05C06H8120.9°119.9°
C05C04N03H5120.5°119.8°
C05C04N03H6120.5°120.0°
C04C05C06O07152.7°178.6°
C04C05C06C0129.0°61.4°
C05C04N03C0256.8°53.6°
C05C04N03C12122.9°126.3°
C05C04H5H6118.4°120.4°
C04C05H7H8117.1°120.1°
C04C05C06H991.3°58.6°
C06C05C04N0343.5°54.6°
C05C06O07C01129.4°120.0°
C05C06O07H9115.5°120.0°
C05C06C01H9120.3°120.0°
C05C06C01C0228.4°61.4°
C05C06C01H1149.5°58.6°
C05C06C01H292.6°178.6°
C06C05C04H5164.0°174.4°
C06C05C04H677.1°65.3°
C06C05H7H8117.1°120.1°
C04N03C02C0155.6°53.6°
C04N03C02C12179.7°179.9°
C04N03C12C140.1°174.4°
C04N03C12O13179.9°5.6°
C04N03C02H364.9°66.2°
C04N03C02H4176.0°173.5°
N03C04H5H6118.4°120.3°
N03C04C05H7164.4°174.6°
N03C04C05H877.5°65.3°
O07C06C01H9115.6°120.0°
O07C06C01C02152.6°178.6°
O07C06C01H186.4°61.4°
O07C06C01H231.5°58.6°
O07C06C05H786.4°58.7°
O07C06C05H831.8°61.4°
C06O07C08H10151.4°60.1°
C06O07C08H1131.4°60.0°
C06C01C02H1121.1°120.0°
C06C01C02H2121.1°120.0°
C06C01C02N0342.0°54.6°
C06C01H1H2116.6°120.1°
C06C01C02H378.5°65.1°
C06C01C02H4162.5°174.6°
C01C06C05H7149.9°178.7°
C01C06C05H891.9°58.6°
C17C18C19H16180.0°180.0°
C17C18C19O22180.0°180.0°
C18C17C16H15180.0°180.0°
C17C18C19C200.1°0.0°
C18C17C16C15179.7°180.0°
C18C17C16C210.0°0.3°
C18C19O22C20179.9°180.0°
C19C18C17C160.0°0.0°
C18C19C20C210.1°0.2°
C19C18C17H15180.0°180.0°
C18C19C20H17179.9°180.0°
C18C19O22H28180.0°90.0°
O25C24C26N23179.6°180.0°
O25C24N23C140.7°0.1°
O25C24C26C2723.5°179.8°
O25C24C26C31157.8°0.0°
O25C24N23H23179.3°180.0°
C01C02N03H3120.5°119.7°
C01C02N03H4120.4°119.9°
C01C02N03C12124.1°126.3°
C02C01H1H2116.7°120.0°
C01C02H3H4118.6°120.3°
C02C01C06H991.8°58.6°
O22C19C20C21180.0°179.8°
O22C19C18H160.0°0.1°
O22C19C20H170.0°0.0°
C02N03C12C14179.7°5.5°
C02N03C12O130.3°174.5°
N03C02C01H1163.1°65.4°
N03C02C01H279.1°174.6°
N03C02H3H4118.6°120.4°
C02N03C04H5177.3°173.4°
C02N03C04H663.7°66.4°
N03C12C14N23126.6°165.6°
N03C12C14O13180.0°180.0°
N03C12C14C15112.4°74.4°
C12N03C02H3115.4°113.9°
C12N03C02H43.6°6.5°
C12N03C04H52.4°6.5°
C12N03C04H6116.6°113.7°
N03C12C14H126.9°45.6°
C17C16C15C1486.7°89.7°
C17C16C15C21179.7°179.8°
C17C16C21C200.0°0.5°
C17C16C15H1333.5°150.2°
C17C16C15H14153.1°30.2°
C16C17C18H16179.9°180.0°
C17C16C21H18180.0°179.7°
C19C20C21C160.1°0.5°
C19C20C21H17180.0°179.8°
C20C19C18H16179.9°180.0°
C19C20C21H18179.9°179.8°
C20C19O22H280.1°90.0°
C26C24N23C14179.7°180.0°
C24C26C27C31178.7°179.8°
C24C26C27C28179.6°180.0°
C24C26C31C30179.6°179.7°
C24C26C27H190.5°0.1°
C24C26C31H220.4°0.1°
C26C24N23H230.3°0.0°
C24N23C14H23180.0°179.9°
C24N23C14C1250.7°155.0°
C24N23C14C15172.7°85.0°
N23C24C26C27156.9°0.3°
N23C24C26C3121.8°180.0°
C24N23C14H1268.7°35.0°
N23C14C12C15121.0°120.0°
N23C14C12H12119.7°120.0°
N23C14C15H12119.0°120.0°
N23C14C12O1353.4°14.4°
N23C14C15C16169.4°65.4°
N23C14C15H1349.2°54.7°
N23C14C15H1470.4°174.6°
C12C14C15H12119.4°120.0°
C12C14C15C1668.9°174.7°
C12C14C15H13170.8°65.3°
C12C14C15H1451.3°54.6°
C12C14N23H23129.2°25.0°
C15C14C12O1367.6°105.6°
C14C15C16H13120.2°120.0°
C14C15C16H14120.2°120.0°
C14C15C16C2193.0°90.0°
C14C15H13H14119.3°119.9°
C15C14N23H237.3°95.0°
C26C27C28H19180.0°179.9°
C26C27C28C290.6°0.1°
C27C26C31C300.9°0.5°
C26C27C28H20179.4°180.0°
C27C26C31H22179.1°179.7°
C28C27C26C310.9°0.2°
C27C28C29H20180.0°179.9°
C27C28C29C300.2°0.1°
C27C28C29C32180.0°180.0°
C26C31C30H22180.0°179.8°
C26C31C30C290.5°0.5°
C31C26C27H19179.1°179.7°
C26C31C30H21179.5°179.7°
C28C29C30C310.2°0.2°
C28C29C32N33128.4°0.0°
C28C29C30C32179.8°180.0°
C28C29C32N3451.6°180.0°
C29C28C27H19179.4°180.0°
C28C29C30H21179.8°180.0°
O13C12C14H12173.1°134.5°
C31C30C29H21180.0°179.8°
C31C30C29C32180.0°179.7°
C15C16C21C20179.7°179.7°
C16C15C14H1250.4°54.7°
C16C15H13H14119.3°120.1°
C15C16C17H150.3°0.1°
C15C16C21H180.3°0.0°
C16C21C20H18180.0°179.7°
C21C16C15H13146.8°30.0°
C21C16C15H1427.3°150.0°
C21C16C17H15179.9°179.7°
C16C21C20H17179.9°179.7°
N33C32C29C3051.4°180.0°
N33C32C29N34180.0°180.0°
N33C32N34H25180.0°180.0°
N33C32N34H260.0°0.0°
C30C29C32N34128.6°0.0°
C30C29C28H20179.8°180.0°
C29C30C31H22179.5°179.7°
C32C29C28H200.0°0.0°
C32C29C30H210.0°0.1°
C29C32N33H24180.0°180.0°
C29C32N34H250.0°0.0°
C29C32N34H26180.0°180.0°
N34C32N33H240.0°0.0°
C32N34H25H26180.0°179.9°
H1C01C02H342.6°174.8°
H1C01C02H476.5°54.5°
H1C01C06H929.2°178.7°
H2C01C02H3160.5°54.9°
H2C01C02H441.4°65.4°
H2C01C06H9147.1°61.3°
H5C04C05H775.1°65.6°
H5C04C05H843.0°54.5°
H6C04C05H743.8°54.7°
H6C04C05H8162.0°174.8°
H7C05C06H929.6°61.3°
H8C05C06H9147.8°178.6°
H12C14C15H1369.8°174.7°
H12C14C15H14170.7°65.4°
H12C14N23H23111.3°145.0°
H15C17C18H160.0°0.0°
H17C20C21H180.1°0.0°
H19C27C28H200.5°0.1°
H21C30C31H220.5°0.1°

219869

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