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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C11sing1.53Å1.54Å
C20C19doub1.38Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C19C18sing1.40Å1.40ÅAromatic
C11C13sing1.51Å1.53Å
C11N10sing1.47Å1.47Å
S17C13sing1.76Å1.70ÅAromatic
S17C16sing1.76Å1.68ÅAromatic
C13C14doub1.34Å1.34ÅAromatic
C21C22doub1.38Å1.40ÅAromatic
C16C18sing1.48Å1.39Å
C16C15doub1.35Å1.35ÅAromatic
C18C23doub1.40Å1.40ÅAromatic
C14C15sing1.38Å1.36ÅAromatic
N10C9sing1.38Å1.34Å
C22C23sing1.38Å1.40ÅAromatic
C23C24sing1.51Å1.55Å
C9N8doub1.33Å1.35ÅAromatic
C9C3sing1.40Å1.41ÅAromatic
N8C6sing1.32Å1.34ÅAromatic
C2C3sing1.50Å1.41Å
C2C1sing1.50Å1.40Å
C3C4doub1.37Å1.40ÅAromatic
C6C7sing1.51Å1.53Å
C6N5doub1.32Å1.35ÅAromatic
C31O30sing1.43Å1.44Å
C24O25sing1.43Å1.43Å
C1O30sing1.36Å1.37Å
C1C27doub1.31Å1.40Å
C4N5sing1.33Å1.34ÅAromatic
C4C26sing1.50Å1.39Å
C27C26sing1.50Å1.40Å
C27O28sing1.36Å1.38Å
O28C29sing1.43Å1.43Å
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C15H4sing1.08Å1.08Å
C20H5sing1.08Å1.08Å
C21H6sing1.08Å1.08Å
C22H7sing1.08Å1.08Å
C24H8sing1.09Å1.10Å
C24H9sing1.09Å1.10Å
C26H10sing1.09Å1.10Å
C26H11sing1.09Å1.10Å
C29H12sing1.09Å1.10Å
C29H13sing1.09Å1.10Å
C29H14sing1.09Å1.10Å
C31H15sing1.09Å1.10Å
C31H16sing1.09Å1.10Å
C31H17sing1.09Å1.10Å
C2H18sing1.09Å1.10Å
C2H19sing1.09Å1.10Å
N10H20sing0.97Å1.00Å
C11H21sing1.09Å1.10Å
C12H22sing1.09Å1.10Å
C12H23sing1.09Å1.10Å
C12H24sing1.09Å1.10Å
C14H25sing1.08Å1.08Å
C19H26sing1.08Å1.08Å
O25H27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12C11C13108.1°109.5°
C12C11N10109.9°109.5°
C12C11H21109.2°109.5°
C11C12H22109.5°109.5°
C11C12H23109.4°109.5°
C11C12H24109.5°109.5°
C19C20C21118.9°120.1°
C20C19C18120.9°119.9°
C19C20H5120.5°119.9°
C20C19H26119.5°120.1°
C20C21C22120.2°120.3°
C21C20H5120.6°119.9°
C20C21H6119.9°119.9°
C19C18C16117.4°120.1°
C19C18C23120.7°119.7°
C18C19H26119.5°120.1°
C13C11N10109.9°109.5°
C11C13S17126.0°125.1°
C11C13C14125.5°125.2°
C13C11H21109.4°109.5°
C11N10C9123.2°120.0°
C11N10H20105.9°120.0°
N10C11H21110.2°109.5°
C13S17C1694.1°91.0°
S17C13C14108.6°109.7°
S17C16C18120.9°125.3°
S17C16C15108.2°109.5°
C13C14C15113.9°115.1°
C13C14H25123.0°122.4°
C21C22C23121.6°120.2°
C22C21H6119.9°119.9°
C21C22H7119.2°119.9°
C18C16C15130.8°125.3°
C16C18C23121.9°120.1°
C16C15C14115.1°114.7°
C16C15H4122.5°122.6°
C18C23C22117.8°119.9°
C18C23C24123.1°120.1°
C14C15H4122.4°122.7°
C15C14H25123.0°122.5°
N10C9N8117.9°120.5°
N10C9C3123.3°120.5°
C9N10H20106.0°120.0°
C22C23C24119.2°120.1°
C23C22H7119.2°119.9°
C23C24O25113.6°109.5°
C23C24H8108.4°109.5°
C23C24H9108.4°109.4°
N8C9C3118.8°119.0°
C9N8C6122.0°120.5°
C9C3C2124.0°119.6°
C9C3C4117.8°118.5°
N8C6C7120.3°119.1°
N8C6N5120.2°121.8°
C3C2C1121.3°111.5°
C2C3C4118.3°121.9°
C3C2H18106.5°109.1°
C3C2H19106.5°109.2°
C2C1O30123.0°118.4°
C2C1C27119.5°123.3°
C1C2H18106.4°108.6°
C1C2H19106.4°109.4°
C3C4N5120.2°119.0°
C3C4C26120.6°121.6°
C7C6N5119.6°119.1°
C6C7H1109.5°109.5°
C6C7H2109.5°109.4°
C6C7H3109.5°109.5°
C6N5C4121.2°121.1°
C31O30C1119.3°117.0°
O30C31H15109.5°109.5°
O30C31H16109.5°109.5°
O30C31H17109.5°109.5°
O25C24H8108.4°109.5°
O25C24H9108.4°109.5°
C24O25H27109.5°114.0°
O30C1C27117.4°118.3°
C1C27C26119.5°123.4°
C1C27O28119.5°118.3°
N5C4C26119.3°119.3°
C4C26C27120.8°111.5°
C4C26H10106.6°109.1°
C4C26H11106.6°109.1°
C26C27O28121.0°118.3°
C27C26H10106.5°109.1°
C27C26H11106.6°109.0°
C27O28C29114.3°117.0°
O28C29H12109.5°109.5°
O28C29H13109.5°109.4°
O28C29H14109.5°109.5°
H1C7H2109.5°109.5°
H1C7H3109.5°109.5°
H2C7H3109.5°109.5°
H8C24H9109.5°109.5°
H10C26H11109.5°109.0°
H12C29H13109.5°109.4°
H12C29H14109.4°109.5°
H13C29H14109.5°109.5°
H15C31H16109.5°109.5°
H15C31H17109.4°109.4°
H16C31H17109.5°109.5°
H18C2H19109.5°109.0°
H22C12H23109.5°109.5°
H22C12H24109.4°109.5°
H23C12H24109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12C11C13N10120.0°120.0°
C12C11C13H21118.9°120.0°
C12C11N10H21120.5°120.0°
C12C11C13S1750.5°79.7°
C12C11C13C14128.9°100.0°
C12C11N10C9136.7°85.0°
C12C11N10H2014.8°95.0°
C11C12H22H23120.0°120.0°
C11C12H22H24120.0°120.0°
C11C12H23H24120.0°120.0°
C19C20C21H5180.0°179.7°
C20C19C18H26180.0°180.0°
C19C20C21C220.7°0.0°
C20C19C18C16179.3°180.0°
C20C19C18C230.1°0.0°
C19C20C21H6179.3°180.0°
C21C20C19C180.1°0.0°
C20C21C22H6180.0°180.0°
C20C21C22C231.2°0.0°
C20C21C22H7178.8°180.0°
C21C20C19H26179.9°180.0°
C19C18C16S1772.6°130.0°
C19C18C16C23179.2°179.9°
C19C18C16C15106.6°50.4°
C19C18C23C220.3°0.1°
C19C18C23C24179.7°180.0°
C18C19C20H5179.9°179.7°
C13C11N10H21120.7°120.0°
C11C13S17C14179.6°179.7°
C11C13S17C16179.4°179.7°
C11C13C14C15179.4°180.0°
C13C11N10C9104.4°155.0°
C13C11N10H20133.6°25.0°
C13C11C12H22180.0°60.0°
C13C11C12H2360.0°180.0°
C13C11C12H2460.0°60.0°
C11C13C14H250.6°0.0°
N10C11C13S1769.5°40.3°
N10C11C13C14111.1°140.0°
C11N10C9H20121.9°180.0°
C11N10C9N88.7°0.0°
C11N10C9C3172.3°179.1°
N10C11C12H2260.0°60.0°
N10C11C12H23180.0°60.0°
N10C11C12H2459.9°180.0°
C13S17C16C18179.2°180.0°
C13S17C16C150.1°0.3°
S17C13C14C150.2°0.3°
S17C13C11H21169.4°160.3°
S17C13C14H25179.8°179.7°
C16S17C13C140.2°0.0°
S17C16C18C15179.2°179.7°
S17C16C18C23106.6°50.0°
S17C16C15C140.1°0.4°
S17C16C15H4179.9°180.0°
C13C14C15C160.1°0.5°
C13C14C15H25180.0°180.0°
C13C14C15H4179.9°180.0°
C14C13C11H2110.1°20.0°
C21C22C23C180.9°0.1°
C21C22C23H7180.0°180.0°
C21C22C23C24179.7°180.0°
C22C21C20H5179.3°179.7°
C18C16C15C14179.2°179.8°
C16C18C23C22178.9°180.0°
C16C18C23C240.5°0.1°
C18C16C15H40.8°0.3°
C16C18C19H260.7°0.1°
C15C16C18C2374.3°129.7°
C16C15C14H4180.0°179.5°
C16C15C14H25179.9°179.5°
C18C23C22C24179.4°179.9°
C18C23C24O25169.2°179.9°
C18C23C22H7179.1°180.0°
C18C23C24H848.6°59.9°
C18C23C24H970.2°60.1°
C23C18C19H26179.9°180.0°
N10C9N8C3179.0°179.1°
N10C9N8C6179.5°180.0°
N10C9C3C20.7°0.9°
N10C9C3C4179.2°179.7°
C9N10C11H2116.2°35.0°
C22C23C24O2511.4°0.1°
C23C22C21H6178.8°179.9°
C22C23C24H8132.0°120.0°
C22C23C24H9109.2°120.0°
C23C24O25H8120.6°120.0°
C23C24O25H9120.6°119.9°
C24C23C22H70.3°0.1°
C23C24H8H9118.1°120.0°
C23C24O25H27180.0°180.0°
N8C9C3C2179.7°180.0°
N8C9C3C40.2°0.6°
C9N8C6C7179.8°179.6°
C9N8C6N50.3°0.9°
N8C9N10H20113.2°180.0°
C3C9N8C60.5°0.9°
C9C3C2C4179.9°179.4°
C9C3C2C1179.5°159.8°
C9C3C4N50.2°0.3°
C9C3C4C26179.7°179.9°
C9C3C2H1858.9°80.2°
C9C3C2H1957.8°38.8°
C3C9N10H2065.8°0.9°
N8C6C7N5179.9°179.4°
N8C6N5C40.2°0.6°
N8C6C7H10.0°89.4°
N8C6C7H2120.0°30.6°
N8C6C7H3120.0°150.5°
C3C2C1H18121.6°120.2°
C3C2C1H19121.6°120.9°
C3C2C1O30179.7°159.7°
C3C2C1C271.0°20.3°
C2C3C4N5179.8°179.7°
C2C3C4C260.4°0.6°
C3C2H18H19114.7°119.1°
C1C2C3C40.6°19.6°
C2C1O30C3116.2°65.6°
C2C1O30C27178.7°180.0°
C2C1C27C261.2°0.0°
C2C1C27O28180.0°179.9°
C1C2H18H19114.7°119.1°
C3C4N5C60.5°0.3°
C3C4N5C26179.4°179.7°
C3C4C26C270.6°20.5°
C3C4C26H10121.0°100.0°
C3C4C26H11122.2°141.0°
C4C3C2H18121.1°100.3°
C4C3C2H19122.2°140.7°
C7C6N5C4179.7°179.9°
C6C7H1H2120.0°120.0°
C6C7H1H3120.0°120.1°
C6C7H2H3120.0°120.0°
C6N5C4C26179.9°180.0°
N5C6C7H1179.9°90.0°
N5C6C7H259.9°150.0°
N5C6C7H360.1°30.0°
C31O30C1C27165.1°114.4°
O30C31H15H16120.1°120.0°
O30C31H15H17120.0°120.0°
O30C31H16H17120.0°120.0°
O25C24H8H9118.1°120.0°
O30C1C27C26180.0°180.0°
O30C1C27O281.2°0.0°
C1O30C31H15180.0°55.0°
C1O30C31H1660.0°175.0°
C1O30C31H1760.0°65.0°
O30C1C2H1858.1°80.1°
O30C1C2H1958.7°38.8°
C1C27C26C41.0°20.6°
C1C27C26O28178.8°180.0°
C1C27O28C29143.5°114.4°
C1C27C26H10120.6°99.9°
C1C27C26H11122.6°141.1°
C27C1C2H18120.7°99.9°
C27C1C2H19122.6°141.2°
N5C4C26C27179.9°159.8°
N5C4C26H1058.5°79.7°
N5C4C26H1158.3°39.4°
C4C26C27H10121.6°120.6°
C4C26C27H11121.6°120.5°
C4C26C27O28179.8°159.3°
C4C26H10H11114.9°119.1°
C26C27O28C2937.7°65.7°
C27C26H10H11114.9°118.9°
O28C27C26H1058.2°80.1°
O28C27C26H1158.6°38.9°
C27O28C29H12180.0°55.2°
C27O28C29H1360.0°175.1°
C27O28C29H1460.0°64.8°
O28C29H12H13120.0°119.9°
O28C29H12H14120.0°120.0°
O28C29H13H14120.0°120.0°
H1C7H2H3120.0°120.0°
H4C15C14H250.1°0.0°
H5C20C21H60.7°0.3°
H5C20C19H260.1°0.3°
H6C21C22H71.2°0.0°
H8C24O25H2759.4°60.0°
H9C24O25H2759.4°60.0°
H12C29H13H14120.0°120.1°
H15C31H16H17120.0°120.0°
H20N10C11H21105.7°145.0°
H21C11C12H2261.0°180.0°
H21C11C12H2359.0°60.0°
H21C11C12H24179.0°60.0°
H22C12H23H24120.0°120.0°

222415

PDB entries from 2024-07-10

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