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FSS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4N3doub1.33Å1.34ÅAromatic
C8N3sing1.33Å1.35ÅAromatic
N5C4sing1.32Å1.39ÅAromatic
C4N38sing1.39Å1.45Å
C6N5doub1.33Å1.34ÅAromatic
C6C7sing1.37Å1.46ÅAromatic
C6H6sing1.08Å1.08Å
C12C7sing1.51Å1.41Å
C7C8doub1.40Å1.47ÅAromatic
C8N9sing1.38Å1.42Å
N11C10sing1.35Å1.48Å
C10N9sing1.34Å1.46Å
C10O34doub1.22Å1.26Å
C14C15doub1.39Å1.48ÅAromatic
C16C15sing1.38Å1.42ÅAromatic
C15CL36sing1.74Å1.74Å
C18C17sing1.38Å1.43ÅAromatic
C17C16doub1.38Å1.42ÅAromatic
C17H17sing1.08Å1.08Å
N38C22sing1.40Å1.46Å
C23C22doub1.39Å1.43ÅAromatic
C22C27sing1.39Å1.44ÅAromatic
C23C24sing1.38Å1.42ÅAromatic
C24C25doub1.39Å1.44ÅAromatic
C24H24sing1.08Å1.08Å
C27C26doub1.38Å1.40ÅAromatic
C25C26sing1.39Å1.44ÅAromatic
C26H26sing1.08Å1.08Å
N38HN38sing0.97Å1.00Å
C23H23sing1.08Å1.08Å
C25O28sing1.36Å1.38Å
O28C29sing1.43Å1.43Å
C29N30sing1.47Å1.48Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
N30C31sing1.47Å1.48Å
N30C32sing1.47Å1.49Å
C32C33sing1.53Å1.54Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C33H33Bsing1.09Å1.10Å
C34C31sing1.53Å1.54Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C34H34Bsing1.09Å1.10Å
C27H27sing1.08Å1.08Å
N9C37sing1.47Å1.49Å
C37H37sing1.09Å1.10Å
C37H37Asing1.09Å1.10Å
C37H37Bsing1.09Å1.10Å
C12N11sing1.47Å1.45Å
C14N11sing1.40Å1.41Å
C19C14sing1.39Å1.47ÅAromatic
C16H16sing1.08Å1.08Å
C18C19doub1.38Å1.42ÅAromatic
C18H18sing1.08Å1.08Å
CL35C19sing1.74Å1.73Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4N3C8119.0°120.3°
N3C4N5124.0°122.1°
N3C4N38116.8°118.9°
N3C8C7121.6°118.6°
N3C8N9119.3°121.6°
N5C4N38119.2°119.0°
C4N5C6119.4°120.8°
C4N38C22124.7°120.0°
C4N38HN38117.7°120.0°
N5C6C7120.9°118.6°
N5C6H6119.6°120.7°
C7C6H6119.6°120.7°
C6C7C12123.6°122.2°
C6C7C8115.2°119.6°
C12C7C8121.2°118.2°
C7C12N11119.6°116.6°
C7C12H12106.2°108.0°
C7C12H12A103.8°108.0°
C7C8N9119.1°119.8°
C8N9C10121.8°123.1°
C8N9C37119.8°118.5°
N11C10N9117.2°123.2°
N11C10O34120.2°118.3°
C10N11C12121.0°119.1°
C10N11C14120.0°120.5°
N9C10O34122.5°118.4°
C10N9C37118.4°118.5°
C14C15C16119.3°119.9°
C14C15CL36120.8°120.1°
C15C14N11118.1°120.1°
C15C14C19119.2°119.9°
C16C15CL36119.9°120.0°
C15C16C17120.4°120.1°
C15C16H16119.8°120.0°
C18C17C16121.1°120.1°
C18C17H17119.5°120.0°
C17C18C19120.8°120.2°
C17C18H18119.6°119.9°
C16C17H17119.5°119.9°
C17C16H16119.8°119.9°
N38C22C23117.4°120.0°
N38C22C27121.7°120.0°
C22N38HN38117.7°120.0°
C23C22C27120.9°120.0°
C22C23C24119.3°120.0°
C22C23H23120.4°120.0°
C22C27C26120.0°120.0°
C22C27H27120.0°120.0°
C23C24C25119.6°120.0°
C23C24H24120.2°120.0°
C24C23H23120.4°120.0°
C25C24H24120.2°119.9°
C24C25C26120.7°120.1°
C24C25O28117.5°120.0°
C27C26C25119.6°120.0°
C27C26H26120.2°120.0°
C26C27H27120.0°120.1°
C25C26H26120.2°120.0°
C26C25O28121.8°119.9°
C25O28C29122.8°117.0°
O28C29N30111.4°109.5°
O28C29H29108.8°109.5°
O28C29H29A108.4°109.5°
N30C29H29108.8°109.5°
N30C29H29A108.4°109.4°
C29N30C31108.7°111.0°
C29N30C32111.7°111.0°
H29C29H29A111.0°109.4°
C31N30C32110.3°111.0°
N30C31C34111.5°109.4°
N30C31H31108.8°109.5°
N30C31H31A108.3°109.5°
N30C32C33111.7°109.5°
N30C32H32108.7°109.5°
N30C32H32A108.2°109.5°
C33C32H32108.7°109.4°
C33C32H32A108.2°109.5°
C32C33H33109.5°109.5°
C32C33H33A109.5°109.4°
C32C33H33B109.5°109.5°
H32C32H32A111.3°109.5°
H33C33H33A109.5°109.5°
H33C33H33B109.4°109.5°
H33AC33H33B109.5°109.5°
C34C31H31108.8°109.5°
C34C31H31A108.4°109.5°
C31C34H34109.5°109.5°
C31C34H34A109.5°109.5°
C31C34H34B109.5°109.5°
H31C31H31A111.0°109.5°
H34C34H34A109.5°109.4°
H34C34H34B109.5°109.4°
H34AC34H34B109.5°109.5°
N9C37H37109.5°109.5°
N9C37H37A109.5°109.5°
N9C37H37B109.5°109.4°
H37C37H37A109.5°109.5°
H37C37H37B109.5°109.5°
H37AC37H37B109.5°109.4°
C12N11C14118.9°120.5°
N11C12H12106.2°108.0°
N11C12H12A103.8°108.0°
N11C14C19122.7°120.0°
C14C19C18119.2°119.8°
C14C19CL35121.0°120.1°
C19C18H18119.6°119.9°
C18C19CL35119.7°120.1°
H12C12H12A117.8°107.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N3C4N5N38180.0°180.0°
N3C4N5C60.1°0.0°
C4N3C8C70.1°0.0°
C4N3C8N9179.7°180.0°
N3C4N38C223.1°174.5°
N3C4N38HN38177.0°5.6°
C8N3C4N50.1°0.0°
C8N3C4N38179.9°180.0°
N3C8C7C60.1°0.0°
N3C8C7C12179.5°179.9°
N3C8C7N9179.6°180.0°
N3C8N9C10179.4°180.0°
N3C8N9C370.4°0.0°
C4N5C6C70.1°0.0°
C4N5C6H6179.9°180.0°
N5C4N38C22176.9°5.5°
N5C4N38HN383.0°174.4°
N38C4N5C6179.9°180.0°
C4N38C22HN38180.0°180.0°
C4N38C22C23136.6°38.0°
C4N38C22C2743.4°142.3°
N5C6C7H6180.0°180.0°
N5C6C7C12179.4°180.0°
N5C6C7C80.1°0.0°
C6C7C12C8179.5°179.9°
C6C7C8N9179.7°179.9°
C6C7C12N11179.4°180.0°
C6C7C12H1260.6°58.2°
C6C7C12H12A64.3°58.1°
H6C6C7C120.5°0.1°
H6C6C7C8179.9°180.0°
C12C7C8N90.1°0.0°
C7C12N11C100.4°0.1°
C7C12N11H12120.0°121.8°
C7C12N11H12A115.1°121.8°
C7C12N11C14177.3°180.0°
C7C12H12H12A115.8°116.5°
C7C8N9C100.2°0.0°
C7C8N9C37180.0°180.0°
C8C7C12N110.2°0.0°
C8C7C12H12119.8°121.8°
C8C7C12H12A115.2°121.8°
C8N9C10N110.1°0.0°
C8N9C10C37179.8°180.0°
C8N9C10O34179.6°180.0°
C8N9C37H3761.8°90.0°
C8N9C37H37A178.1°150.0°
C8N9C37H37B58.2°30.0°
N11C10N9O34179.6°180.0°
C10N11C14C1592.9°90.0°
N11C10N9C37179.8°180.0°
C10N11C12C14177.7°180.0°
C10N11C14C1986.7°90.0°
C10N11C12H12119.6°121.8°
C10N11C12H12A115.5°121.8°
C10N9C37H37118.3°90.0°
C10N9C37H37A1.7°30.0°
C10N9C37H37B121.7°149.9°
N9C10N11C120.3°0.0°
N9C10N11C14177.4°180.0°
O34C10N9C370.2°0.0°
O34C10N11C12179.9°180.0°
O34C10N11C142.2°0.0°
C14C15C16CL36179.7°179.8°
C14C15C16C170.2°0.2°
C15C14N11C1284.8°90.0°
C15C14N11C19179.6°180.0°
C14C15C16H16179.9°179.8°
C15C14C19C180.1°0.0°
C15C14C19CL35179.9°179.7°
C15C16C17C180.1°0.0°
C15C16C17H16180.0°180.0°
C15C16C17H17179.8°180.0°
C16C15C14N11179.8°179.8°
C16C15C14C190.2°0.2°
CL36C15C16C17179.8°180.0°
CL36C15C14N110.6°0.0°
CL36C15C14C19179.8°180.0°
CL36C15C16H160.2°0.0°
C18C17C16H17180.0°180.0°
C17C18C19C140.1°0.2°
C18C17C16H16179.9°180.0°
C17C18C19H18180.0°179.8°
C17C18C19CL35179.9°180.0°
C16C17C18C190.1°0.2°
C16C17C18H18179.9°180.0°
H17C17C16H160.2°0.1°
H17C17C18C19179.8°179.8°
H17C17C18H180.1°0.0°
N38C22C23C27180.0°179.7°
N38C22C23C24180.0°179.7°
N38C22C27C26180.0°180.0°
N38C22C23H230.0°0.4°
N38C22C27H270.0°0.0°
C22C23C24H23180.0°180.0°
C22C23C24C250.0°0.0°
C22C23C24H24180.0°179.8°
C23C22C27C260.0°0.3°
C23C22N38HN3843.4°142.0°
C23C22C27H27180.0°179.7°
C27C22C23C240.0°0.0°
C22C27C26H27180.0°180.0°
C22C27C26C250.1°0.5°
C22C27C26H26179.8°180.0°
C27C22N38HN38136.6°37.7°
C27C22C23H23180.0°180.0°
C23C24C25H24180.0°179.8°
C23C24C25C260.1°0.3°
C23C24C25O28179.9°179.8°
C24C25C26C270.2°0.5°
C24C25C26O28180.0°180.0°
C24C25C26H26179.8°180.0°
C25C24C23H23180.0°180.0°
C24C25O28C29180.0°180.0°
H24C24C25C26179.9°180.0°
H24C24C23H230.0°0.3°
H24C24C25O280.1°0.0°
C27C26C25H26180.0°179.5°
C27C26C25O28179.8°179.5°
C26C25O28C290.0°0.0°
C25C26C27H27179.9°179.4°
H26C26C25O280.2°0.0°
H26C26C27H270.1°0.1°
C25O28C29N30143.0°80.0°
C25O28C29H2997.0°160.0°
C25O28C29H29A23.8°40.0°
O28C29N30H29120.0°120.0°
O28C29N30H29A119.2°120.1°
O28C29H29H29A119.2°120.1°
O28C29N30C31128.0°155.0°
O28C29N30C32110.1°81.0°
N30C29H29H29A119.2°119.9°
C29N30C31C32122.8°124.0°
C29N30C32C33116.7°76.3°
C29N30C32H32123.4°43.6°
C29N30C32H32A2.4°163.6°
C29N30C31C34120.6°163.1°
C29N30C31H310.6°76.9°
C29N30C31H31A120.2°43.1°
H29C29N30C318.0°85.0°
H29C29N30C32130.0°39.0°
H29AC29N30C31112.8°34.9°
H29AC29N30C329.1°158.9°
C31N30C32C33122.3°159.8°
C31N30C32H322.3°80.3°
C31N30C32H32A118.7°39.7°
N30C31C34H31120.0°120.0°
N30C31C34H31A119.1°120.0°
N30C31H31H31A119.2°120.0°
N30C31C34H3467.8°51.9°
N30C31C34H34A172.2°68.0°
N30C31C34H34B52.2°171.9°
N30C32C33H32120.0°120.0°
N30C32C33H32A119.0°120.0°
N30C32H32H32A119.1°120.0°
N30C32C33H3339.3°173.2°
N30C32C33H33A80.7°53.3°
N30C32C33H33B159.3°66.8°
C32N30C31C34116.5°72.9°
C32N30C31H31123.5°47.0°
C32N30C31H31A2.6°167.1°
C33C32H32H32A119.1°120.0°
C32C33H33H33A120.0°120.0°
C32C33H33H33B120.0°120.1°
C32C33H33AH33B120.0°120.1°
H32C32C33H33159.3°66.8°
H32C32C33H33A39.3°173.2°
H32C32C33H33B80.7°53.2°
H32AC32C33H3379.7°53.2°
H32AC32C33H33A160.3°66.8°
H32AC32C33H33B40.3°173.2°
H33C33H33AH33B120.0°120.0°
C34C31H31H31A119.2°120.0°
C31C34H34H34A120.0°120.0°
C31C34H34H34B120.0°120.0°
C31C34H34AH34B120.0°120.1°
H31C31C34H3452.2°171.9°
H31C31C34H34A67.8°51.9°
H31C31C34H34B172.2°68.1°
H31AC31C34H34173.1°68.0°
H31AC31C34H34A53.1°172.0°
H31AC31C34H34B66.9°51.9°
H34C34H34AH34B120.0°119.9°
N9C37H37H37A120.0°120.0°
N9C37H37H37B120.0°120.0°
N9C37H37AH37B120.0°120.0°
H37C37H37AH37B120.0°120.0°
C12N11C14C1995.6°90.0°
N11C12H12H12A115.8°116.5°
N11C14C19C18179.7°180.0°
N11C14C19CL350.5°0.3°
C14N11C12H1262.7°58.2°
C14N11C12H12A62.3°58.2°
C14C19C18CL35179.8°179.7°
C14C19C18H18179.9°180.0°
H18C18C19CL350.1°0.2°

225158

PDB entries from 2024-09-18

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