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72M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N31C4sing1.38Å1.37Å
C4N2doub1.33Å1.38ÅAromatic
C4C6sing1.41Å1.44ÅAromatic
N2C1sing1.32Å1.36ÅAromatic
N7C6sing1.35Å1.42ÅAromatic
N7C8doub1.30Å1.33ÅAromatic
C6C5doub1.40Å1.46ÅAromatic
C1N3doub1.32Å1.36ÅAromatic
C39C35sing1.51Å1.50Å
C8N9sing1.36Å1.43ÅAromatic
C5N3sing1.33Å1.37ÅAromatic
C5N9sing1.37Å1.41ÅAromatic
C36C35doub1.38Å1.41ÅAromatic
C36C38sing1.38Å1.40ÅAromatic
C35C37sing1.38Å1.40ÅAromatic
N9C10sing1.47Å1.43Å
O20C18doub1.22Å1.25Å
C16N17sing1.46Å1.44Å
C16C15sing1.51Å1.49Å
C18N17sing1.35Å1.35Å
C18C19sing1.48Å1.49Å
C38C33doub1.38Å1.40ÅAromatic
C37C34doub1.38Å1.40ÅAromatic
C15C32doub1.31Å1.33Å
O27C21sing1.36Å1.38Å
C19C21doub1.40Å1.42ÅAromatic
C19C25sing1.40Å1.41ÅAromatic
O13C10sing1.44Å1.44Å
O13C14sing1.44Å1.43Å
C10C12sing1.54Å1.56Å
C21C24sing1.39Å1.42ÅAromatic
C32C14sing1.51Å1.48Å
C33C34sing1.38Å1.40ÅAromatic
C33C26sing1.51Å1.50Å
C25C23doub1.38Å1.40ÅAromatic
C24O28sing1.36Å1.38Å
C24C22doub1.38Å1.39ÅAromatic
C14C11sing1.55Å1.53Å
C23C22sing1.39Å1.40ÅAromatic
C23C26sing1.51Å1.50Å
C12O30sing1.43Å1.40Å
C12C11sing1.55Å1.55Å
C11O29sing1.43Å1.42Å
C8H1sing1.08Å1.08Å
C10H2sing1.09Å1.10Å
C15H3sing1.08Å1.08Å
C22H4sing1.08Å1.08Å
C26H5sing1.09Å1.10Å
C26H6sing1.09Å1.10Å
C1H7sing1.08Å1.08Å
C11H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C14H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
N17H13sing0.97Å1.00Å
C25H14sing1.08Å1.08Å
O27H15sing0.97Å0.95Å
O28H16sing0.97Å0.95Å
O29H17sing0.97Å0.95Å
O30H18sing0.97Å0.95Å
N31H19sing0.97Å1.00Å
N31H20sing0.97Å1.00Å
C32H21sing1.08Å1.08Å
C34H22sing1.08Å1.08Å
C36H23sing1.08Å1.08Å
C37H24sing1.08Å1.08Å
C38H25sing1.08Å1.08Å
C39H26sing1.09Å1.10Å
C39H27sing1.09Å1.10Å
C39H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N31C4N2120.7°120.8°
N31C4C6119.9°120.7°
C4N31H19109.5°120.0°
C4N31H20109.5°120.1°
N2C4C6119.3°118.5°
C4N2C1118.2°121.2°
C4C6N7133.5°134.7°
C4C6C5115.9°118.1°
N2C1N3129.2°122.5°
N2C1H7115.4°118.7°
C6N7C8104.9°109.4°
N7C6C5110.5°107.2°
N7C8N9113.4°110.0°
N7C8H1123.3°125.0°
C6C5N3124.5°119.1°
C6C5N9104.3°106.0°
C1N3C5112.9°120.7°
N3C1H7115.4°118.8°
C39C35C36121.0°120.0°
C39C35C37121.3°120.0°
C35C39H26109.5°109.5°
C35C39H27109.4°109.5°
C35C39H28109.5°109.5°
C8N9C5106.8°107.5°
C8N9C10128.6°126.3°
N9C8H1123.3°125.1°
N3C5N9131.2°134.9°
C5N9C10124.4°126.3°
C35C36C38121.5°120.0°
C36C35C37117.6°120.0°
C35C36H23119.2°120.0°
C36C38C33120.6°120.0°
C38C36H23119.2°120.0°
C36C38H25119.7°120.0°
C35C37C34120.8°120.0°
C35C37H24119.6°120.0°
N9C10O13108.0°110.0°
N9C10C12116.2°109.9°
N9C10H2109.4°109.9°
O20C18N17116.3°120.0°
O20C18C19122.1°120.0°
N17C16C15109.6°109.5°
C16N17C18118.1°120.0°
N17C16H11109.4°109.5°
N17C16H12109.4°109.5°
C16N17H13121.0°120.0°
C16C15C32124.0°120.0°
C16C15H3118.0°120.0°
C15C16H11109.4°109.4°
C15C16H12109.5°109.5°
N17C18C19121.7°120.0°
C18N17H13121.0°120.0°
C18C19C21120.3°120.1°
C18C19C25120.0°120.2°
C38C33C34118.1°120.0°
C38C33C26121.5°120.0°
C33C38H25119.7°120.0°
C37C34C33121.3°120.0°
C37C34H22119.3°120.0°
C34C37H24119.6°120.0°
C15C32C14118.8°120.0°
C32C15H3118.0°120.0°
C15C32H21120.6°120.1°
O27C21C19127.9°120.2°
O27C21C24112.8°120.2°
C21O27H15109.5°114.0°
C21C19C25119.7°119.7°
C19C21C24119.2°119.6°
C19C25C23120.2°120.0°
C19C25H14119.9°120.0°
C10O13C14109.3°107.0°
O13C10C12105.9°107.3°
O13C10H2109.3°109.9°
O13C14C32113.1°110.6°
O13C14C11105.2°103.5°
O13C14H10110.0°110.5°
C10C12O30106.3°110.5°
C10C12C1199.5°104.2°
C12C10H2107.8°109.9°
C10C12H9110.1°110.5°
C21C24O28121.8°120.0°
C21C24C22120.2°120.0°
C32C14C11110.6°110.6°
C32C14H10109.2°110.7°
C14C32H21120.6°119.9°
C34C33C26120.5°120.0°
C33C34H22119.4°120.0°
C33C26C23118.1°109.5°
C33C26H5107.3°109.5°
C33C26H6107.3°109.5°
C25C23C22119.8°120.3°
C25C23C26122.6°119.8°
C23C25H14119.9°120.0°
O28C24C22118.0°120.0°
C24O28H16109.5°114.0°
C24C22C23120.9°120.4°
C24C22H4119.5°119.9°
C14C11C1299.9°102.1°
C14C11O29108.7°110.9°
C14C11H8111.5°110.9°
C11C14H10108.6°110.6°
C22C23C26117.6°119.9°
C23C22H4119.6°119.8°
C23C26H5107.3°109.5°
C23C26H6107.3°109.5°
O30C12C11116.9°110.5°
O30C12H9112.6°110.4°
C12O30H18109.5°114.0°
C12C11O29111.3°110.9°
C12C11H8111.3°110.9°
C11C12H9110.4°110.6°
O29C11H8113.4°110.8°
C11O29H17109.5°114.0°
H5C26H6109.5°109.5°
H11C16H12109.5°109.4°
H19N31H20109.5°120.0°
H26C39H27109.5°109.5°
H26C39H28109.4°109.4°
H27C39H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N31C4N2C6179.3°180.0°
N31C4N2C1179.4°180.0°
N31C4C6N70.8°0.0°
N31C4C6C5179.8°180.0°
C4N31H19H20120.0°179.9°
N2C4C6N7179.9°179.9°
N2C4C6C50.9°0.0°
C4N2C1N30.8°0.1°
C4N2C1H7179.2°180.0°
N2C4N31H190.0°0.1°
N2C4N31H20120.0°180.0°
C6C4N2C10.1°0.1°
C4C6N7C5179.0°179.9°
C4C6N7C8179.1°180.0°
C4C6C5N31.2°0.1°
C4C6C5N9179.6°180.0°
C6C4N31H19179.2°180.0°
C6C4N31H2059.2°0.0°
N2C1N3H7180.0°179.9°
N2C1N3C50.6°0.0°
C6N7C8N91.1°0.0°
N7C6C5N3179.6°180.0°
N7C6C5N91.2°0.0°
C6N7C8H1178.9°180.0°
C8N7C6C50.1°0.1°
N7C8N9H1180.0°179.9°
N7C8N9C51.9°0.0°
N7C8N9C10173.4°180.0°
C6C5N3C10.4°0.1°
C6C5N9C81.8°0.0°
C6C5N3N9178.0°179.9°
C6C5N9C10173.8°180.0°
C1N3C5N9178.4°180.0°
C39C35C36C37178.9°179.5°
C39C35C36C38179.8°179.7°
C39C35C37C34179.2°180.0°
C39C35C36H230.2°0.5°
C39C35C37H240.8°0.0°
C35C39H26H27120.0°120.0°
C35C39H26H28120.0°120.0°
C35C39H27H28120.0°120.1°
C8N9C5N3179.9°179.9°
C8N9C5C10175.6°180.0°
C8N9C10O1372.0°22.9°
C8N9C10C1246.9°95.0°
C8N9C10H2169.1°144.0°
N3C5N9C104.5°0.0°
C5N3C1H7179.4°180.0°
C5N9C10O13102.6°157.1°
C5N9C10C12138.6°85.0°
C5N9C8H1178.0°179.9°
C5N9C10H216.3°36.0°
C35C36C38H23180.0°179.2°
C35C36C38C330.8°0.5°
C36C35C37C340.4°0.5°
C36C35C37H24179.6°179.5°
C35C36C38H25179.3°180.0°
C36C35C39H2689.4°89.5°
C36C35C39H27150.6°30.5°
C36C35C39H2830.6°150.5°
C38C36C35C370.9°0.8°
C36C38C33H25180.0°179.4°
C36C38C33C340.0°0.0°
C36C38C33C26179.5°179.7°
C35C37C34H24180.0°180.0°
C35C37C34C330.4°0.1°
C35C37C34H22179.6°180.0°
C37C35C36H23179.0°180.0°
C37C35C39H2689.4°90.0°
C37C35C39H2730.6°150.0°
C37C35C39H28150.6°29.9°
N9C10O13C12125.2°119.5°
N9C10O13H2119.0°121.1°
N9C10O13C14131.9°146.0°
N9C10C12H2123.1°121.0°
N9C10C12O3086.7°119.8°
N9C10C12C11151.4°121.6°
C10N9C8H16.6°0.1°
N9C10C12H935.5°2.8°
O20C18N17C167.9°0.0°
O20C18N17C19179.8°180.0°
O20C18C19C21150.0°0.1°
O20C18C19C2527.8°180.0°
O20C18N17H13172.1°180.0°
N17C16C15H11120.0°120.0°
N17C16C15H12120.0°120.1°
C16N17C18H13180.0°180.0°
C16N17C18C19172.2°180.0°
N17C16C15C32143.7°125.0°
N17C16C15H336.3°55.0°
N17C16H11H12119.9°120.0°
C15C16N17C18157.0°180.0°
C16C15C32H3180.0°179.9°
C16C15C32C14178.8°180.0°
C15C16H11H12120.0°120.0°
C15C16N17H1322.9°0.1°
C16C15C32H211.2°0.0°
N17C18C19C2129.8°180.0°
N17C18C19C25152.4°0.0°
C18N17C16H1183.0°60.0°
C18N17C16H1237.0°59.9°
C18C19C21O271.2°0.3°
C18C19C21C25177.9°179.9°
C18C19C21C24178.5°179.9°
C18C19C25C23178.6°179.9°
C19C18N17H137.8°0.0°
C18C19C25H141.4°0.0°
C38C33C34C370.6°0.4°
C38C33C34C26179.5°179.7°
C38C33C26C2382.5°90.3°
C38C33C26H538.7°149.7°
C38C33C26H6156.2°29.7°
C38C33C34H22179.4°179.8°
C33C38C36H23179.2°179.7°
C37C34C33H22180.0°179.9°
C37C34C33C26178.9°180.0°
C15C32C14O1393.9°6.5°
C15C32C14H21180.0°180.0°
C15C32C14C11148.4°120.5°
C15C32C14H1028.9°116.4°
C32C15C16H1196.3°115.0°
C32C15C16H1223.7°4.9°
O27C21C19C24179.7°179.7°
O27C21C19C25179.1°179.7°
O27C21C24O280.9°0.2°
O27C21C24C22179.7°179.7°
C21C19C25C230.7°0.0°
C19C21C24O28179.4°180.0°
C19C21C24C220.0°0.0°
C21C19C25H14179.2°180.0°
C19C21O27H15180.0°90.3°
C25C19C21C240.6°0.0°
C19C25C23H14180.0°179.9°
C19C25C23C220.3°0.1°
C19C25C23C26178.3°180.0°
O13C10C12H2116.9°119.4°
C10O13C14C3299.2°158.6°
C10O13C14C1121.6°40.0°
O13C10C12O30153.3°120.7°
O13C10C12C1131.5°2.0°
O13C10C12H984.4°116.8°
C10O13C14H10138.4°78.4°
C14O13C10C126.7°26.5°
O13C14C32C11117.7°114.1°
O13C14C32H10122.8°122.9°
O13C14C11H10117.7°118.4°
O13C14C11C1240.8°37.0°
O13C14C11O2975.8°155.2°
C14O13C10H2109.1°92.9°
O13C14C11H8158.5°81.2°
O13C14C32H2186.1°173.6°
C10C12C11C1442.5°20.9°
C10C12O30C11110.0°114.8°
C10C12O30H9120.6°122.6°
C10C12C11H9115.7°118.8°
C10C12C11O2972.2°139.1°
C10C12C11H8160.3°97.4°
C10C12O30H18180.0°180.0°
C21C24O28C22179.5°179.9°
C21C24C22C230.4°0.1°
C21C24C22H4179.7°180.0°
C24C21O27H150.3°89.9°
C21C24O28H16180.0°90.0°
C32C14C11H10119.9°123.1°
C32C14C11C1281.6°155.5°
C32C14C11O29161.8°86.3°
C14C32C15H31.2°0.0°
C32C14C11H836.1°37.2°
C34C33C26C2398.0°90.0°
C34C33C26H5140.8°29.9°
C34C33C26H623.3°150.0°
C33C34C37H24179.6°179.9°
C34C33C38H25180.0°179.4°
C33C26C23C2593.7°89.9°
C33C26C23C2287.7°90.0°
C33C26C23H5121.2°120.0°
C33C26C23H6121.2°120.0°
C33C26H5H6116.1°120.0°
C26C33C34H221.1°0.1°
C26C33C38H250.5°0.3°
C25C23C22C240.2°0.1°
C25C23C22C26178.7°179.9°
C25C23C22H4179.8°180.0°
C25C23C26H527.6°30.1°
C25C23C26H6145.1°150.1°
O28C24C22C23179.8°180.0°
O28C24C22H40.2°0.1°
C24C22C23H4180.0°179.9°
C24C22C23C26178.9°180.0°
C22C24O28H160.6°90.0°
C14C11C12O30156.4°97.8°
C14C11C12O29114.7°118.2°
C14C11C12H8117.8°118.3°
C14C11O29H8124.6°123.6°
C14C11C12H973.2°139.6°
C14C11O29H17180.0°64.4°
C11C14C32H2131.6°59.5°
C22C23C26H5151.1°150.0°
C22C23C26H633.5°30.0°
C22C23C25H14179.6°180.0°
C26C23C22H41.1°0.1°
C23C26H5H6116.1°120.0°
C26C23C25H141.8°0.1°
O30C12C11H9130.4°122.6°
O30C12C11O2941.7°20.4°
O30C12C10H236.4°1.2°
O30C12C11H885.8°143.9°
C12C11O29H8126.4°123.6°
C11C12C10H285.4°117.4°
C12C11C14H10158.5°81.4°
C12C11O29H1771.0°177.1°
C11C12O30H1869.9°65.3°
O29C11C12H9172.1°102.2°
O29C11C14H1041.9°36.8°
H2C10C12H9158.7°123.8°
H3C15C16H1183.7°65.1°
H3C15C16H12156.3°175.0°
H3C15C32H21178.8°180.0°
H8C11C12H944.6°21.4°
H8C11C14H1083.8°160.3°
H8C11O29H1755.4°59.2°
H9C12O30H1859.4°57.4°
H10C14C32H21151.0°63.5°
H11C16N17H1397.1°120.0°
H12C16N17H13143.0°120.0°
H22C34C37H240.4°0.0°
H23C36C38H250.8°0.9°
H26C39H27H28120.0°119.9°

222415

PDB entries from 2024-07-10

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