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PK2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2O14doub1.22Å1.21Å
C2N3sing1.35Å1.34Å
C2C1sing1.47Å1.51Å
N3C4sing1.37Å1.36Å
C4N15sing1.37Å1.36Å
C4N5doub1.31Å1.28Å
N5C6sing1.36Å1.35Å
C6C10doub1.39Å1.41ÅAromatic
C6C1sing1.42Å1.40ÅAromatic
C10C18sing1.51Å1.53Å
C10C9sing1.39Å1.40ÅAromatic
C18C19sing1.53Å1.56Å
C19N20sing1.47Å1.51Å
N20C21sing1.47Å1.49Å
C21C22sing1.53Å1.56Å
C22C27sing1.53Å1.56Å
C22C23sing1.53Å1.57Å
C27C26sing1.53Å1.56Å
C26C25sing1.53Å1.55Å
C25C24sing1.53Å1.55Å
C24C23sing1.53Å1.56Å
C9N11sing1.36Å1.35ÅAromatic
C9C8doub1.41Å1.37ÅAromatic
N11C12doub1.31Å1.27ÅAromatic
C12N16sing1.38Å1.35Å
C12N13sing1.36Å1.36ÅAromatic
N16C17sing1.47Å1.45Å
N13C8sing1.39Å1.41ÅAromatic
C8C7sing1.38Å1.40ÅAromatic
C7C1doub1.39Å1.41ÅAromatic
N3HN3sing0.97Å1.00Å
N15HN15sing0.97Å1.00Å
N15HN1Asing0.97Å1.00Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
N20HN20sing1.01Å1.00Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
N16HN16sing0.97Å1.00Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C17H17Bsing1.09Å1.10Å
N13HN13sing0.97Å1.00Å
C7H7sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O14C2N3125.0°121.2°
O14C2C1116.6°121.2°
N3C2C1118.3°117.6°
C2N3C4121.2°120.6°
C2N3HN3119.4°119.6°
C2C1C6115.7°118.1°
C2C1C7119.6°121.5°
N3C4N15114.8°118.4°
N3C4N5120.9°123.1°
C4N3HN3119.4°119.8°
N15C4N5124.3°118.4°
C4N15HN15109.0°120.0°
C4N15HN1A125.5°120.0°
C4N5C6125.1°121.5°
N5C6C10121.0°121.2°
N5C6C1118.5°119.0°
C10C6C1120.4°119.7°
C6C10C18125.8°120.1°
C6C10C9114.6°119.7°
C6C1C7124.5°120.4°
C18C10C9119.5°120.2°
C10C18C19110.5°109.5°
C10C18H18109.2°109.4°
C10C18H18A108.9°109.4°
C10C9N11130.3°132.8°
C10C9C8124.0°120.2°
C18C19N20107.8°109.5°
C19C18H18109.1°109.5°
C19C18H18A108.9°109.5°
C18C19H19110.0°109.4°
C18C19H19A110.4°109.5°
C19N20C21109.2°111.0°
N20C19H19110.1°109.5°
N20C19H19A110.4°109.5°
C19N20HN20109.6°111.0°
N20C21C22112.6°109.5°
C21N20HN20109.5°111.0°
N20C21H21108.4°109.4°
N20C21H21A107.7°109.4°
C21C22C27109.6°109.5°
C21C22C23110.9°109.5°
C22C21H21108.5°109.5°
C22C21H21A107.8°109.5°
C21C22H22107.9°109.5°
C27C22C23107.8°109.5°
C22C27C26108.3°109.5°
C27C22H22111.0°109.5°
C22C27H27109.9°109.5°
C22C27H27A110.1°109.5°
C22C23C24108.7°109.5°
C23C22H22109.7°109.5°
C22C23H23109.7°109.5°
C22C23H23A109.9°109.5°
C27C26C25110.0°109.5°
C26C27H27109.9°109.5°
C26C27H27A110.1°109.5°
C27C26H26109.3°109.5°
C27C26H26A109.2°109.5°
C26C25C24111.6°109.5°
C25C26H26109.3°109.4°
C25C26H26A109.2°109.4°
C26C25H25108.7°109.5°
C26C25H25A108.3°109.5°
C25C24C23109.6°109.4°
C24C25H25108.8°109.5°
C24C25H25A108.3°109.4°
C25C24H24109.4°109.5°
C25C24H24A109.4°109.4°
C23C24H24109.4°109.4°
C23C24H24A109.4°109.5°
C24C23H23109.7°109.4°
C24C23H23A109.9°109.5°
N11C9C8105.5°107.0°
C9N11C12110.6°109.8°
C9C8N13108.9°106.0°
C9C8C7122.9°120.5°
N11C12N16126.4°125.0°
N11C12N13111.9°110.0°
N16C12N13121.5°125.0°
C12N16C17125.1°120.0°
C12N16HN16104.5°120.0°
C12N13C8102.9°107.2°
C12N13HN13128.5°126.4°
C17N16HN16104.6°120.0°
N16C17H17109.5°109.4°
N16C17H17A109.5°109.5°
N16C17H17B109.4°109.4°
N13C8C7128.1°133.4°
C8N13HN13128.5°126.4°
C8C7C1113.2°119.5°
C8C7H7123.4°120.2°
C1C7H7123.4°120.2°
HN15N15HN1A125.5°120.0°
H18C18H18A110.3°109.5°
H19C19H19A108.2°109.5°
H21C21H21A111.9°109.5°
H27C27H27A108.5°109.4°
H26C26H26A109.9°109.5°
H25C25H25A111.2°109.5°
H24C24H24A109.6°109.5°
H23C23H23A108.9°109.4°
H17C17H17A109.4°109.5°
H17C17H17B109.4°109.4°
H17AC17H17B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O14C2N3C1176.3°179.7°
O14C2N3C4178.5°180.0°
O14C2C1C6179.9°179.7°
O14C2C1C75.2°0.6°
O14C2N3HN31.5°0.0°
C2N3C4HN3180.0°180.0°
C2N3C4N15174.8°180.0°
C2N3C4N56.5°0.0°
N3C2C1C63.5°0.6°
N3C2C1C7178.2°179.7°
C1C2N3C45.2°0.3°
C2C1C6N53.0°0.6°
C2C1C6C10179.0°179.7°
C2C1C6C7174.4°179.2°
C2C1C7C8173.6°179.7°
C1C2N3HN3174.8°179.7°
C2C1C7H76.4°0.6°
N3C4N15N5178.6°180.0°
N3C4N5C66.2°0.1°
N3C4N15HN15180.0°0.1°
N3C4N15HN1A0.0°180.0°
N15C4N5C6175.3°179.9°
N15C4N3HN35.2°0.0°
C4N15HN15HN1A180.0°179.9°
C4N5C6C10177.5°180.0°
C4N5C6C14.5°0.4°
N5C4N3HN3173.5°180.0°
N5C4N15HN151.4°180.0°
N5C4N15HN1A178.6°0.0°
N5C6C10C1178.0°179.6°
N5C6C10C181.5°0.0°
N5C6C10C9177.0°179.9°
N5C6C1C7177.4°179.8°
C6C10C18C9175.3°180.0°
C6C10C18C19111.2°90.0°
C6C10C9N11172.7°180.0°
C6C10C9C80.5°0.0°
C10C6C1C74.6°0.6°
C6C10C18H188.7°150.0°
C6C10C18H18A129.2°30.0°
C1C6C10C18179.5°179.7°
C1C6C10C95.0°0.3°
C6C1C7C80.6°0.5°
C6C1C7H7179.4°179.7°
C10C18C19H18120.0°120.0°
C10C18C19H18A119.6°120.0°
C10C18C19N20155.7°180.0°
C18C10C9N113.2°0.0°
C18C10C9C8176.4°180.0°
C10C18H18H18A119.6°120.0°
C10C18C19H1935.7°60.0°
C10C18C19H19A83.7°60.0°
C9C10C18C1973.4°90.0°
C10C9N11C8174.1°180.0°
C10C9N11C12176.9°180.0°
C10C9C8N13179.0°180.0°
C10C9C8C74.9°0.0°
C9C10C18H18166.6°30.0°
C9C10C18H18A46.2°150.1°
C18C19N20H19120.0°120.0°
C18C19N20H19A120.6°120.0°
C18C19N20C2174.8°180.0°
C19C18H18H18A119.6°120.0°
C18C19H19H19A120.7°120.0°
C18C19N20HN2045.2°56.0°
C19N20C21HN20120.0°124.0°
C19N20C21C22168.8°180.0°
N20C19C18H1884.3°60.0°
N20C19C18H18A36.1°60.1°
N20C19H19H19A120.7°120.0°
C19N20C21H2171.2°60.0°
C19N20C21H21A50.1°60.0°
N20C21C22H21120.0°120.0°
N20C21C22H21A118.7°119.9°
N20C21C22C2750.9°175.0°
N20C21C22C23169.9°65.0°
C21N20C19H19165.3°60.0°
C21N20C19H19A45.9°60.0°
N20C21H21H21A118.7°119.9°
N20C21C22H2270.0°54.9°
C21C22C27C23120.8°120.0°
C21C22C27H22119.1°120.0°
C21C22C23H22119.1°120.0°
C21C22C27C26175.2°180.0°
C21C22C23C24175.9°180.0°
C22C21N20HN2048.8°56.0°
C22C21H21H21A118.8°120.1°
C21C22C27H2764.8°60.0°
C21C22C27H27A54.7°60.0°
C21C22C23H2355.9°60.0°
C21C22C23H23A63.7°59.9°
C27C22C23H22120.9°120.0°
C22C27C26H27120.0°120.0°
C22C27C26H27A120.5°120.0°
C22C27C26C2560.1°60.0°
C27C22C23C2464.1°60.0°
C27C22C21H21170.9°65.0°
C27C22C21H21A67.7°55.0°
C22C27H27H27A120.5°120.0°
C22C27C26H26179.9°179.9°
C22C27C26H26A59.6°60.0°
C27C22C23H23175.9°180.0°
C27C22C23H23A56.2°60.1°
C23C22C27C2664.0°60.0°
C22C23C24C2559.7°60.0°
C22C23C24H23120.0°120.0°
C22C23C24H23A120.3°120.1°
C23C22C21H2170.2°55.0°
C23C22C21H21A51.2°175.0°
C23C22C27H2756.0°60.0°
C23C22C27H27A175.5°180.0°
C22C23C24H24179.7°180.0°
C22C23C24H24A60.3°59.9°
C22C23H23H23A120.3°120.0°
C27C26C25H26120.0°120.0°
C27C26C25H26A119.8°120.0°
C27C26C25C2456.7°60.0°
C26C27C22H2256.1°60.0°
C26C27H27H27A120.5°120.0°
C27C26H26H26A119.8°120.1°
C27C26C25H2563.3°60.0°
C27C26C25H25A175.8°180.0°
C26C25C24H25120.0°120.1°
C26C25C24H25A119.1°120.0°
C26C25C24C2356.3°60.0°
C25C26C27H2759.9°60.0°
C25C26C27H27A179.4°180.0°
C25C26H26H26A119.8°119.9°
C26C25H25H25A119.1°120.1°
C26C25C24H24176.3°179.9°
C26C25C24H24A63.7°60.0°
C25C24C23H24120.0°119.9°
C25C24C23H24A120.0°120.0°
C24C25C26H26176.6°180.0°
C24C25C26H26A63.1°60.0°
C24C25H25H25A119.1°119.9°
C25C24H24H24A120.0°120.0°
C25C24C23H23179.7°180.0°
C25C24C23H23A60.7°60.0°
C24C23C22H2256.9°60.0°
C23C24C25H2563.7°60.0°
C23C24C25H25A175.4°180.0°
C23C24H24H24A119.9°120.1°
C24C23H23H23A120.3°120.0°
C9N11C12N16174.6°180.0°
C9N11C12N130.1°0.0°
N11C9C8N134.4°0.0°
N11C9C8C7179.5°180.0°
C8C9N11C122.8°0.0°
C9C8N13C124.3°0.0°
C9C8N13C7175.8°179.9°
C9C8C7C15.3°0.2°
C9C8N13HN13175.7°180.0°
C9C8C7H7174.7°180.0°
N11C12N16N13174.0°179.9°
N11C12N16C174.0°180.0°
N11C12N13C82.6°0.1°
N11C12N16HN16116.0°0.0°
N11C12N13HN13177.4°180.0°
C12N16C17HN16120.0°180.0°
N16C12N13C8172.2°180.0°
C12N16C17H1724.7°59.9°
C12N16C17H17A144.7°180.0°
C12N16C17H17B95.3°60.0°
N16C12N13HN137.8°0.1°
N13C12N16C17178.0°0.1°
C12N13C8HN13180.0°180.0°
C12N13C8C7179.9°180.0°
N13C12N16HN1658.0°179.9°
N16C17H17H17A120.0°120.1°
N16C17H17H17B120.0°119.9°
N16C17H17AH17B120.0°120.0°
N13C8C7C1179.4°179.7°
N13C8C7H70.6°0.1°
C8C7C1H7180.0°179.8°
C7C8N13HN130.1°0.1°
H18C18C19H19155.7°180.0°
H18C18C19H19A36.3°60.0°
H18AC18C19H1983.9°60.0°
H18AC18C19H19A156.7°179.9°
H19C19N20HN2074.8°176.0°
H19AC19N20HN20165.9°64.0°
HN20N20C21H21168.8°176.1°
HN20N20C21H21A69.9°64.0°
H21C21C22H2250.0°174.9°
H21AC21C22H22171.3°65.0°
H22C22C27H27176.1°NaN°
H22C22C27H27A64.4°60.0°
H22C22C23H2363.2°60.0°
H22C22C23H23A177.2°179.9°
H27C27C26H2660.1°59.9°
H27C27C26H26A179.6°180.0°
H27AC27C26H2659.4°60.0°
H27AC27C26H26A60.9°60.0°
H26C26C25H2556.6°60.0°
H26C26C25H25A64.3°60.1°
H26AC26C25H25176.9°180.0°
H26AC26C25H25A56.0°59.9°
H25C25C24H2456.3°59.9°
H25C25C24H24A176.3°179.9°
H25AC25C24H2464.6°60.1°
H25AC25C24H24A55.4°60.0°
H24C24C23H2360.3°60.1°
H24C24C23H23A59.3°59.9°
H24AC24C23H2359.7°60.0°
H24AC24C23H23A179.4°NaN°
HN16N16C17H1795.3°120.1°
HN16N16C17H17A24.7°0.0°
HN16N16C17H17B144.8°120.0°
H17C17H17AH17B120.0°120.0°

246704

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