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BH7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.47Å1.50Å
N1C5sing1.34Å1.39Å
N1HN1sing0.97Å1.02Å
C2C3sing1.53Å1.53Å
C2C6sing1.54Å1.54Å
C2H21Asing1.09Å1.11Å
C3N4sing1.47Å1.47Å
C3C8sing1.54Å1.59Å
C3H31sing1.09Å1.11Å
N4C5sing1.34Å1.38Å
N4HN4sing0.97Å1.02Å
C5O9doub1.22Å1.19Å
C6S7sing1.85Å1.83Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.12Å
S7C8sing1.84Å1.80Å
C8C10sing1.53Å1.53Å
C8H81sing1.09Å1.11Å
C10C11sing1.53Å1.52Å
C10H10sing1.09Å1.11Å
C10H11sing1.09Å1.11Å
C11C12sing1.53Å1.51Å
C11H12sing1.09Å1.11Å
C11H13sing1.09Å1.11Å
C12C13sing1.53Å1.54Å
C12H14sing1.09Å1.11Å
C12H15sing1.09Å1.11Å
C13C14sing1.51Å1.53Å
C13H16sing1.09Å1.11Å
C13H17sing1.09Å1.12Å
C14O15doub1.21Å1.21Å
C14N16sing1.35Å1.40Å
N16C17sing1.46Å1.53Å
N16H18sing0.97Å1.02Å
C17C18sing1.53Å1.56Å
C17H19sing1.09Å1.11Å
C17H20sing1.09Å1.11Å
C18C19sing1.53Å1.58Å
C18H21sing1.09Å1.12Å
C18H22sing1.09Å1.11Å
C19C20sing1.53Å1.58Å
C19H23sing1.09Å1.12Å
C19H24sing1.09Å1.12Å
C20C21sing1.53Å1.55Å
C20H25sing1.09Å1.11Å
C20H26sing1.09Å1.11Å
C21C22sing1.51Å1.54Å
C21H27sing1.09Å1.12Å
C21H28sing1.09Å1.11Å
C22O23sing1.34Å1.24Å
C22O24doub1.21Å1.37Å
O23H29sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C5111.9°109.0°
C2N1HN1111.3°125.5°
N1C2C3103.4°104.1°
N1C2C6115.2°109.1°
N1C2H21A110.0°110.0°
C5N1HN1111.3°125.5°
N1C5N4107.5°113.9°
N1C5O9127.1°123.0°
C3C2C6109.9°113.7°
C3C2H21A115.2°109.7°
C2C3N4103.8°104.0°
C2C3C8111.5°113.6°
C2C3H31113.5°110.0°
C6C2H21A103.5°110.1°
C2C6S7105.0°101.4°
C2C6H61113.9°111.0°
C2C6H62113.9°111.0°
N4C3C8114.0°109.1°
N4C3H31111.1°110.1°
C3N4C5113.4°109.1°
C3N4HN4126.2°125.5°
C8C3H31103.2°109.8°
C3C8S7103.1°101.5°
C3C8C10115.0°111.0°
C3C8H81112.1°111.1°
C5N4HN4120.4°125.5°
N4C5O9125.4°123.1°
S7C6H61113.9°111.1°
S7C6H62113.9°111.1°
C6S7C893.3°97.4°
H61C6H6296.6°110.9°
S7C8C10114.7°111.0°
S7C8H81112.4°111.0°
C10C8H8199.9°110.9°
C8C10C11109.9°109.5°
C8C10H10112.1°109.4°
C8C10H11112.0°109.5°
C11C10H10112.0°109.4°
C11C10H11112.1°109.5°
C10C11C12111.6°109.5°
C10C11H12111.4°109.5°
C10C11H13111.4°109.5°
H10C10H1198.3°109.5°
C12C11H12111.4°109.5°
C12C11H13111.4°109.4°
C11C12C13111.8°109.5°
C11C12H14111.3°109.5°
C11C12H15111.3°109.5°
H12C11H1398.9°109.5°
C13C12H14111.4°109.5°
C13C12H15111.3°109.5°
C12C13C14115.5°109.5°
C12C13H16110.0°109.5°
C12C13H17110.0°109.5°
H14C12H1599.0°109.4°
C14C13H16110.0°109.4°
C14C13H17110.0°109.5°
C13C14O15121.1°119.9°
C13C14N16115.5°120.1°
H16C13H17100.2°109.4°
O15C14N16123.4°120.0°
C14N16C17125.7°120.1°
C14N16H18112.6°120.0°
C17N16H18121.7°119.9°
N16C17C18115.3°109.6°
N16C17H19110.1°109.4°
N16C17H20110.1°109.5°
C18C17H19110.1°109.4°
C18C17H20110.1°109.5°
C17C18C19114.1°109.5°
C17C18H21110.5°109.5°
C17C18H22110.5°109.5°
H19C17H20100.1°109.5°
C19C18H21110.5°109.5°
C19C18H22110.5°109.4°
C18C19C20114.8°109.5°
C18C19H23110.2°109.5°
C18C19H24110.3°109.5°
H21C18H2299.8°109.4°
C20C19H23110.2°109.4°
C20C19H24110.2°109.5°
C19C20C21113.1°109.5°
C19C20H25110.9°109.4°
C19C20H26110.9°109.5°
H23C19H24100.0°109.4°
C21C20H25110.9°109.5°
C21C20H26110.9°109.5°
C20C21C22113.3°109.5°
C20C21H27110.8°109.5°
C20C21H28110.8°109.4°
H25C20H2699.4°109.4°
C22C21H27110.8°109.5°
C22C21H28110.8°109.4°
C21C22O23128.4°120.0°
C21C22O24110.7°120.0°
H27C21H2899.5°109.5°
O23C22O24120.8°119.9°
C22O23H29128.4°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C5HN1125.2°180.0°
N1C2C3C6123.5°118.5°
N1C2C3H21A120.1°117.7°
N1C2C6H21A120.1°120.8°
N1C2C3N40.4°0.0°
N1C2C3C8122.8°118.5°
N1C2C3H31121.1°117.9°
C2N1C5N40.5°0.0°
C2N1C5O9179.7°180.0°
N1C2C6S789.6°93.3°
N1C2C6H6135.7°24.8°
N1C2C6H62145.2°148.7°
C5N1C2C30.6°0.0°
C5N1C2C6120.5°121.6°
C5N1C2H21A123.0°117.5°
N1C5N4C30.3°0.0°
N1C5N4O9179.8°180.0°
N1C5N4HN4179.7°180.0°
HN1N1C2C3125.8°180.0°
HN1N1C2C6114.2°58.4°
HN1N1C2H21A2.2°62.5°
HN1N1C5N4125.8°180.0°
HN1N1C5O954.4°0.0°
C3C2C6H21A123.6°123.6°
C2C3N4C8121.5°121.6°
C2C3N4H31122.4°117.9°
C2C3C8H31122.3°123.7°
C2C3N4C50.1°0.0°
C2C3N4HN4179.9°180.0°
C3C2C6S726.7°22.4°
C3C2C6H61152.0°140.4°
C3C2C6H6298.5°95.7°
C2C3C8S725.8°22.3°
C2C3C8C10151.3°140.4°
C2C3C8H8195.4°95.7°
C6C2C3N4123.9°118.5°
C6C2C3C80.7°0.0°
C6C2C3H31115.4°123.5°
C2C6S7H61125.3°118.0°
C2C6S7H62125.2°118.0°
C2C6H61H62119.8°124.0°
C2C6S7C837.9°31.8°
H21AC2C3N4119.7°117.7°
H21AC2C3C8117.2°123.8°
H21AC2C3H311.0°0.2°
H21AC2C6S7150.3°145.9°
H21AC2C6H6184.4°96.0°
H21AC2C6H6225.1°27.9°
N4C3C8H31120.6°120.7°
C3N4C5HN4180.0°180.0°
C3N4C5O9179.9°180.0°
N4C3C8S791.3°93.2°
N4C3C8C1034.2°24.8°
N4C3C8H81147.4°148.7°
C8C3N4C5121.4°121.6°
C8C3N4HN458.5°58.4°
C3C8S7C636.3°31.8°
C3C8S7C10125.7°118.1°
C3C8S7H81121.0°118.1°
C3C8C10H81120.2°124.0°
C3C8C10C11178.6°176.7°
C3C8C10H1053.3°63.3°
C3C8C10H1156.1°56.7°
H31C3N4C5122.4°117.9°
H31C3N4HN457.6°62.1°
H31C3C8S7148.1°146.0°
H31C3C8C1086.4°95.9°
H31C3C8H8126.8°28.0°
HN4N4C5O90.1°0.0°
S7C6H61H62119.8°124.0°
C6S7C8C10162.0°149.9°
C6S7C8H8184.7°86.3°
H61C6S7C8163.1°149.8°
H62C6S7C887.4°86.2°
S7C8C10H81120.5°123.9°
S7C8C10C1162.1°64.7°
S7C8C10H10172.6°175.4°
S7C8C10H1163.2°55.4°
C8C10C11H10125.3°120.0°
C8C10C11H11125.3°120.0°
C8C10H10H11117.9°120.0°
C8C10C11C12149.3°180.0°
C8C10C11H1285.4°60.0°
C8C10C11H1324.0°60.0°
H81C8C10C1158.3°59.3°
H81C8C10H1066.9°60.7°
H81C8C10H11176.4°179.3°
C11C10H10H11117.9°120.0°
C10C11C12H12125.3°120.0°
C10C11C12H13125.3°120.0°
C10C11H12H13117.3°120.0°
C10C11C12C13178.3°180.0°
C10C11C12H1453.0°60.0°
C10C11C12H1556.4°60.0°
H10C10C11C1224.0°60.0°
H10C10C11H12149.3°179.9°
H10C10C11H13101.3°60.0°
H11C10C11C1285.4°60.0°
H11C10C11H1239.9°60.1°
H11C10C11H13149.3°180.0°
C12C11H12H13117.3°120.0°
C11C12C13H14125.3°120.0°
C11C12C13H15125.3°120.0°
C11C12H14H15117.2°120.0°
C11C12C13C1499.0°180.0°
C11C12C13H16135.8°60.0°
C11C12C13H1726.3°60.0°
H12C11C12C1356.4°60.0°
H12C11C12H14178.3°180.0°
H12C11C12H1568.8°60.1°
H13C11C12C1353.0°60.0°
H13C11C12H1472.3°60.0°
H13C11C12H15178.3°180.0°
C13C12H14H15117.2°120.0°
C12C13C14H16125.3°120.0°
C12C13C14H17125.3°120.0°
C12C13H16H17115.8°120.0°
C12C13C14O15144.0°0.0°
C12C13C14N1636.4°180.0°
H14C12C13C1426.3°60.0°
H14C12C13H1699.0°180.0°
H14C12C13H17151.6°60.0°
H15C12C13C14135.8°60.0°
H15C12C13H1610.5°60.0°
H15C12C13H1798.9°180.0°
C14C13H16H17115.8°120.0°
C13C14O15N16179.6°180.0°
C13C14N16C17179.3°180.0°
C13C14N16H180.7°0.0°
H16C13C14O1590.7°120.0°
H16C13C14N1688.9°60.0°
H17C13C14O1518.7°120.0°
H17C13C14N16161.7°60.0°
O15C14N16C170.3°0.0°
O15C14N16H18179.7°180.0°
C14N16C17H18180.0°180.0°
C14N16C17C18100.7°180.0°
C14N16C17H19134.1°60.0°
C14N16C17H2024.6°60.0°
N16C17C18H19125.3°120.0°
N16C17C18H20125.3°120.0°
N16C17H19H20115.9°120.0°
N16C17C18C19163.2°180.0°
N16C17C18H2137.9°59.9°
N16C17C18H2271.6°60.0°
H18N16C17C1879.3°0.0°
H18N16C17H1946.0°120.0°
H18N16C17H20155.4°120.0°
C18C17H19H20115.9°120.0°
C17C18C19H21125.3°120.0°
C17C18C19H22125.3°120.0°
C17C18H21H22116.4°120.0°
C17C18C19C2036.1°180.0°
C17C18C19H23161.3°60.0°
C17C18C19H2489.2°60.0°
H19C17C18C1971.6°60.0°
H19C17C18H21163.2°179.9°
H19C17C18H2253.7°60.0°
H20C17C18C1937.9°60.0°
H20C17C18H2187.3°60.1°
H20C17C18H22163.2°180.0°
C19C18H21H22116.4°120.0°
C18C19C20H23125.2°120.0°
C18C19C20H24125.3°120.0°
C18C19H23H24116.1°120.0°
C18C19C20C2177.6°180.0°
C18C19C20H25157.1°60.0°
C18C19C20H2647.6°59.9°
H21C18C19C2089.2°60.0°
H21C18C19H2336.1°180.0°
H21C18C19H24145.5°60.1°
H22C18C19C20161.3°60.0°
H22C18C19H2373.4°60.0°
H22C18C19H2436.1°180.0°
C20C19H23H24116.1°120.0°
C19C20C21H25125.3°120.0°
C19C20C21H26125.2°120.1°
C19C20H25H26116.7°120.0°
C19C20C21C22179.8°179.9°
C19C20C21H2754.5°60.0°
C19C20C21H2854.9°60.0°
H23C19C20C2147.6°60.0°
H23C19C20H2577.7°180.0°
H23C19C20H26172.9°60.1°
H24C19C20C21157.1°60.0°
H24C19C20H2531.8°60.1°
H24C19C20H2677.6°180.0°
C21C20H25H26116.8°120.0°
C20C21C22H27125.3°120.0°
C20C21C22H28125.3°120.0°
C20C21H27H28116.6°120.0°
C20C21C22O2391.6°180.0°
C20C21C22O2488.2°0.0°
H25C20C21C2254.9°59.9°
H25C20C21H27179.8°180.0°
H25C20C21H2870.3°60.0°
H26C20C21C2254.5°60.0°
H26C20C21H2770.8°60.1°
H26C20C21H28179.8°179.9°
C22C21H27H28116.7°120.0°
C21C22O23O24179.8°180.0°
C21C22O23H29180.0°180.0°
H27C21C22O23143.1°60.0°
H27C21C22O2437.1°120.0°
H28C21C22O2333.7°60.0°
H28C21C22O24146.5°120.0°
O24C22O23H290.2°0.0°

224931

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