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0O1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C21doub1.38Å1.39ÅAromatic
C19C17sing1.38Å1.39ÅAromatic
C21C20sing1.38Å1.39ÅAromatic
C17C18doub1.38Å1.39ÅAromatic
C20C16doub1.38Å1.39ÅAromatic
C18C16sing1.38Å1.39ÅAromatic
C16C15sing1.51Å1.52Å
C15C13sing1.53Å1.53Å
C13N6sing1.47Å1.45Å
C25C23sing1.55Å1.52Å
C25C24sing1.55Å1.53Å
N6C12sing1.38Å1.36Å
C23C14sing1.54Å1.53Å
C24C22sing1.54Å1.51Å
C14C22sing1.54Å1.54Å
C14C1sing1.53Å1.55Å
C12N4sing1.37Å1.38ÅAromatic
C12N5doub1.31Å1.31ÅAromatic
N1C1sing1.47Å1.47Å
N1C2sing1.47Å1.47Å
N4C11sing1.38Å1.38ÅAromatic
N5C10sing1.36Å1.37ÅAromatic
C2C3sing1.53Å1.55Å
C11C10doub1.41Å1.38ÅAromatic
C11C4sing1.38Å1.41ÅAromatic
C3C4sing1.51Å1.52Å
C10C9sing1.39Å1.40ÅAromatic
C4C5doub1.39Å1.42ÅAromatic
C9C8doub1.39Å1.40ÅAromatic
C5C8sing1.42Å1.40ÅAromatic
C5N2sing1.36Å1.42Å
C8C7sing1.47Å1.47Å
N2C6doub1.31Å1.30Å
C7O1doub1.22Å1.23Å
C7N3sing1.35Å1.39Å
C6N3sing1.37Å1.37Å
C6N7sing1.37Å1.37Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
N1H3sing1.01Å1.00Å
C2H5sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C3H8sing1.09Å1.10Å
N3H9sing0.97Å1.00Å
C9H10sing1.08Å1.08Å
N4H11sing0.97Å1.00Å
N6H13sing0.97Å1.00Å
C13H14sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
N7H17sing0.97Å1.00Å
N7H18sing0.97Å1.00Å
C15H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C17H21sing1.08Å1.08Å
C18H22sing1.08Å1.08Å
C19H23sing1.08Å1.08Å
C20H24sing1.08Å1.08Å
C21H25sing1.08Å1.08Å
C22H26sing1.09Å1.10Å
C22H27sing1.09Å1.10Å
C23H28sing1.09Å1.10Å
C23H29sing1.09Å1.10Å
C24H30sing1.09Å1.10Å
C24H31sing1.09Å1.10Å
C25H32sing1.09Å1.10Å
C25H33sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C19C17120.0°120.0°
C19C21C20120.0°120.0°
C21C19H23120.0°120.0°
C19C21H25120.0°120.0°
C19C17C18120.0°120.0°
C19C17H21120.0°120.0°
C17C19H23120.0°120.1°
C21C20C16120.0°120.0°
C21C20H24120.0°120.1°
C20C21H25120.0°120.0°
C17C18C16120.0°120.0°
C18C17H21120.0°120.0°
C17C18H22120.0°120.0°
C20C16C18120.0°120.0°
C20C16C15119.1°120.0°
C16C20H24120.0°120.0°
C18C16C15120.9°120.0°
C16C18H22120.0°119.9°
C16C15C13110.0°109.5°
C16C15H19109.4°109.5°
C16C15H20109.4°109.5°
C15C13N6109.8°109.4°
C15C13H14109.4°109.5°
C15C13H15109.4°109.4°
C13C15H19109.3°109.5°
C13C15H20109.3°109.4°
C13N6C12119.7°120.0°
C13N6H13106.9°120.0°
N6C13H14109.4°109.5°
N6C13H15109.4°109.5°
C23C25C24106.8°102.8°
C25C23C14107.6°104.2°
C25C23H28109.9°110.4°
C25C23H29109.9°110.6°
C23C25H32110.1°110.8°
C23C25H33110.2°110.7°
C25C24C22104.4°104.2°
C25C24H30110.7°110.5°
C25C24H31110.7°110.5°
C24C25H32110.1°110.8°
C24C25H33110.1°110.7°
N6C12N4123.4°125.0°
N6C12N5124.8°125.0°
C12N6H13106.8°120.0°
C23C14C22103.6°106.6°
C23C14C1111.5°110.0°
C23C14H16110.8°110.1°
C14C23H28110.0°110.5°
C14C23H29110.0°110.5°
C24C22C14105.0°106.6°
C24C22H26110.6°110.0°
C24C22H27110.6°110.1°
C22C24H30110.7°110.5°
C22C24H31110.7°110.5°
C22C14C1109.5°110.0°
C22C14H16110.7°110.0°
C14C22H26110.6°110.1°
C14C22H27110.6°110.0°
C14C1N1112.3°109.5°
C14C1H1108.8°109.5°
C14C1H2108.7°109.5°
C1C14H16110.5°110.0°
N4C12N5111.8°110.0°
C12N4C11106.6°107.3°
C12N4H11126.7°126.3°
C12N5C10105.9°109.6°
C1N1C2111.3°111.0°
N1C1H1108.8°109.4°
N1C1H2108.8°109.5°
C1N1H3109.0°111.0°
N1C2C3109.0°109.5°
C2N1H3109.0°111.0°
N1C2H5109.6°109.5°
N1C2H6109.6°109.5°
N4C11C10105.4°106.0°
N4C11C4131.4°133.3°
C11N4H11126.8°126.3°
N5C10C11110.3°107.0°
N5C10C9128.5°132.9°
C2C3C4117.0°109.5°
C3C2H5109.6°109.4°
C3C2H6109.6°109.5°
C2C3H7107.5°109.5°
C2C3H8107.5°109.5°
C10C11C4123.2°120.6°
C11C10C9121.2°120.0°
C11C4C3117.5°120.1°
C11C4C5115.5°119.7°
C3C4C5126.3°120.2°
C4C3H7107.6°109.5°
C4C3H8107.6°109.5°
C10C9C8117.1°119.5°
C10C9H10121.4°120.3°
C4C5C8121.0°119.7°
C4C5N2119.7°121.2°
C9C8C5122.1°120.4°
C9C8C7118.4°121.5°
C8C9H10121.5°120.2°
C8C5N2119.3°119.0°
C5C8C7119.5°118.1°
C5N2C6119.7°121.5°
C8C7O1123.5°121.2°
C8C7N3116.0°117.6°
N2C6N3123.7°123.1°
N2C6N7119.4°118.5°
O1C7N3120.5°121.2°
C7N3C6121.8°120.6°
C7N3H9119.1°119.7°
N3C6N7116.8°118.4°
C6N3H9119.1°119.7°
C6N7H17120.0°120.0°
C6N7H18120.0°120.0°
H1C1H2109.5°109.5°
H5C2H6109.5°109.5°
H7C3H8109.5°109.4°
H14C13H15109.5°109.5°
H17N7H18120.0°120.0°
H19C15H20109.5°109.5°
H26C22H27109.5°110.0°
H28C23H29109.5°110.5°
H30C24H31109.5°110.5°
H32C25H33109.5°110.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C19C17H23180.0°179.8°
C19C21C20H25180.0°179.8°
C21C19C17C180.0°0.2°
C19C21C20C160.0°0.0°
C21C19C17H21180.0°179.7°
C19C21C20H24180.0°180.0°
C17C19C21C200.0°0.2°
C19C17C18H21180.0°179.9°
C19C17C18C160.0°0.1°
C19C17C18H22180.0°180.0°
C17C19C21H25180.0°180.0°
C21C20C16H24180.0°180.0°
C21C20C16C180.0°0.3°
C21C20C16C15180.0°180.0°
C20C21C19H23180.0°180.0°
C17C18C16C200.0°0.3°
C17C18C16H22180.0°180.0°
C17C18C16C15180.0°180.0°
C18C17C19H23180.0°180.0°
C20C16C18C15179.9°179.7°
C20C16C15C1387.8°90.2°
C20C16C15H1932.2°149.7°
C20C16C15H20152.1°29.7°
C20C16C18H22180.0°179.7°
C16C20C21H25180.0°179.8°
C18C16C15C1392.1°90.0°
C18C16C15H19147.8°30.0°
C18C16C15H2028.0°150.0°
C16C18C17H21180.0°180.0°
C18C16C20H24180.0°179.7°
C16C15C13H19120.1°120.1°
C16C15C13H20120.1°120.0°
C16C15C13N6163.2°180.0°
C16C15C13H1476.8°60.0°
C16C15C13H1543.1°60.1°
C16C15H19H20119.8°120.0°
C15C16C18H220.0°0.0°
C15C16C20H240.0°0.0°
C15C13N6H14120.1°120.0°
C15C13N6H15120.1°119.9°
C15C13N6C12156.9°180.0°
C15C13N6H1381.7°0.0°
C15C13H14H15119.9°120.0°
C13C15H19H20119.7°119.9°
C13N6C12H13121.5°179.9°
C13N6C12N420.4°0.0°
C13N6C12N5159.8°179.7°
N6C13H14H15119.8°120.1°
N6C13C15H1943.1°60.0°
N6C13C15H2076.7°60.0°
C23C25C24H32119.6°118.3°
C23C25C24H33119.6°118.3°
C25C23C14H28119.7°118.6°
C25C23C14H29119.7°118.8°
C23C25C24C2222.2°37.9°
C25C23C14C2220.0°23.5°
C25C23C14C1137.7°142.9°
C25C23C14H1698.7°95.7°
C25C23H28H29120.8°122.7°
C23C25C24H30141.3°156.6°
C23C25C24H3197.0°80.8°
C23C25H32H33121.3°123.3°
C24C25C23C141.1°37.9°
C25C24C22H30119.2°118.7°
C25C24C22H31119.2°118.7°
C25C24C22C1434.8°23.6°
C25C24C22H2684.5°95.7°
C25C24C22H27154.1°142.9°
C24C25C23H28118.7°80.8°
C24C25C23H29120.8°156.6°
C25C24H30H31122.4°122.6°
C24C25H32H33121.2°123.3°
N6C12N4N5179.8°179.8°
N6C12N4C11179.8°180.0°
N6C12N5C10179.8°179.9°
N6C12N4H110.2°0.0°
C12N6C13H1436.8°60.0°
C12N6C13H1583.1°60.1°
C23C14C22C2433.9°0.0°
C23C14C22C1119.1°119.3°
C23C14C22H16118.8°119.3°
C23C14C1H16123.7°121.5°
C23C14C1N164.2°67.8°
C23C14C1H156.2°172.2°
C23C14C1H2175.4°52.2°
C23C14C22H2685.4°119.2°
C23C14C22H27153.2°119.4°
C14C23H28H29120.9°122.6°
C14C23C25H32118.5°156.2°
C14C23C25H33120.6°80.4°
C24C22C14H26119.3°119.3°
C24C22C14H27119.3°119.3°
C24C22C14C1153.1°119.3°
C24C22C14H1684.8°119.4°
C24C22H26H27122.1°121.4°
C22C24H30H31122.3°122.6°
C22C24C25H3297.4°156.2°
C22C24C25H33141.7°80.4°
C22C14C1H16122.2°121.3°
C22C14C1N1178.3°174.9°
C22C14C1H157.9°55.0°
C22C14C1H261.3°65.0°
C14C22H26H27122.1°121.4°
C22C14C23H28139.7°95.1°
C22C14C23H2999.7°142.4°
C14C22C24H30154.0°142.3°
C14C22C24H3184.4°95.1°
C14C1N1H1120.4°120.0°
C14C1N1H2120.4°120.0°
C14C1N1C2174.5°180.0°
C14C1H1H2118.7°120.0°
C14C1N1H365.3°56.0°
C1C14C22H2633.8°121.5°
C1C14C22H2787.6°0.0°
C1C14C23H28102.6°24.2°
C1C14C23H2918.0°98.3°
C12N4C11H11180.0°180.0°
N4C12N5C100.0°0.4°
C12N4C11C100.1°0.0°
C12N4C11C4179.2°179.3°
N4C12N6H13101.1°179.9°
N5C12N4C110.0°0.2°
C12N5C10C110.1°0.4°
C12N5C10C9179.9°179.9°
N5C12N4H11180.0°179.8°
N5C12N6H1378.7°0.3°
C1N1C2H3120.3°124.0°
C1N1C2C365.8°180.0°
N1C1H1H2118.8°120.0°
C1N1C2H554.2°60.0°
C1N1C2H6174.3°60.0°
N1C1C14H1659.5°53.6°
N1C2C3H5120.0°120.0°
N1C2C3H6119.9°120.0°
N1C2C3C4156.0°180.0°
C2N1C1H154.1°60.0°
C2N1C1H265.1°60.0°
N1C2H5H6120.2°120.0°
N1C2C3H735.0°60.0°
N1C2C3H882.9°60.0°
N4C11C10N50.1°0.2°
N4C11C10C4179.2°179.4°
N4C11C4C39.8°0.5°
N4C11C10C9180.0°180.0°
N4C11C4C5179.5°179.8°
N5C10C11C9179.9°179.8°
N5C10C11C4179.3°179.6°
N5C10C9C8179.6°179.9°
N5C10C9H100.4°0.0°
C2C3C4C1170.7°90.3°
C2C3C4H7121.1°120.0°
C2C3C4H8121.1°120.0°
C2C3C4C598.9°90.0°
C3C2N1H3174.0°56.1°
C3C2H5H6120.2°120.0°
C2C3H7H8116.6°120.0°
C10C11C4C3171.2°179.7°
C10C11C4C50.4°0.6°
C11C10C9C80.5°0.2°
C11C10C9H10179.4°179.7°
C10C11N4H11179.9°180.0°
C11C4C3C5169.6°179.7°
C4C11C10C90.8°0.6°
C11C4C5C80.1°0.3°
C11C4C5N2179.3°179.6°
C11C4C3H750.3°149.7°
C11C4C3H8168.2°29.7°
C4C11N4H110.8°0.6°
C3C4C5C8169.6°180.0°
C3C4C5N29.6°0.1°
C4C3C2H584.0°60.0°
C4C3C2H636.1°60.0°
C4C3H7H8116.6°120.0°
C10C9C8H10180.0°179.9°
C10C9C8C50.0°0.1°
C10C9C8C7179.3°180.0°
C4C5C8C90.4°0.1°
C4C5C8N2179.2°179.9°
C4C5C8C7179.7°180.0°
C4C5N2C6179.6°180.0°
C5C4C3H7140.1°30.0°
C5C4C3H822.2°150.0°
C9C8C5C7179.3°180.0°
C9C8C5N2179.6°180.0°
C9C8C7O10.5°0.0°
C9C8C7N3179.5°180.0°
C8C5N2C61.2°0.1°
C5C8C7O1179.8°179.9°
C5C8C7N30.2°0.0°
C5C8C9H10180.0°180.0°
N2C5C8C71.1°0.1°
C5N2C6N30.3°0.0°
C5N2C6N7179.0°179.9°
C8C7O1N3180.0°180.0°
C8C7N3C60.7°0.0°
C8C7N3H9179.2°180.0°
C7C8C9H100.7°0.0°
N2C6N3C70.7°0.0°
N2C6N3N7179.3°180.0°
N2C6N3H9179.2°180.0°
N2C6N7H170.0°0.0°
N2C6N7H18180.0°180.0°
O1C7N3C6179.3°180.0°
O1C7N3H90.7°0.0°
C7N3C6H9180.0°180.0°
C7N3C6N7180.0°180.0°
N3C6N7H17179.3°179.9°
N3C6N7H180.7°0.0°
N7C6N3H90.0°0.0°
C6N7H17H18180.0°179.9°
H1C1N1H3174.3°64.0°
H1C1C14H16179.9°66.4°
H2C1N1H355.1°176.0°
H2C1C14H1660.9°173.7°
H3N1C2H566.1°176.0°
H3N1C2H654.0°64.0°
H5C2C3H7154.9°180.0°
H5C2C3H837.1°60.0°
H6C2C3H784.9°60.0°
H6C2C3H8157.2°180.0°
H13N6C13H14158.3°120.0°
H13N6C13H1538.4°119.9°
H14C13C15H19163.1°180.0°
H14C13C15H2043.3°60.0°
H15C13C15H1977.0°60.0°
H15C13C15H20163.2°180.0°
H16C14C22H26155.9°0.1°
H16C14C22H2734.5°121.3°
H16C14C23H2821.0°145.7°
H16C14C23H29141.6°23.1°
H21C17C18H220.0°0.0°
H21C17C19H230.0°0.0°
H23C19C21H250.0°0.2°
H24C20C21H250.0°0.2°
H26C22C24H3034.7°23.0°
H26C22C24H31156.3°145.5°
H27C22C24H3086.7°98.5°
H27C22C24H3134.9°24.1°
H28C23C25H32121.8°37.6°
H28C23C25H330.9°161.0°
H29C23C25H321.2°85.0°
H29C23C25H33119.7°38.4°
H30C24C25H3221.8°85.1°
H30C24C25H3399.1°38.3°
H31C24C25H32143.4°37.5°
H31C24C25H3322.6°160.9°

224931

PDB entries from 2024-09-11

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