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GV3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12N4sing1.46Å1.46Å
C12C11sing1.53Å1.52Å
N7Csing1.38Å1.34Å
N4C13sing1.38Å1.34Å
C19C18doub1.38Å1.39ÅAromatic
C19C14sing1.39Å1.39ÅAromatic
C11C10sing1.53Å1.50Å
N5C13sing1.38Å1.38Å
N5C14sing1.40Å1.41Å
C13N6doub1.30Å1.30Å
C18C17sing1.38Å1.38ÅAromatic
C14C15doub1.39Å1.39ÅAromatic
N3C1sing1.35Å1.39ÅAromatic
N3C4doub1.30Å1.31ÅAromatic
CC1doub1.41Å1.41ÅAromatic
CN1sing1.33Å1.35ÅAromatic
C1C2sing1.40Å1.38ÅAromatic
N1C3doub1.32Å1.33ÅAromatic
C10Ssing1.81Å1.82Å
C4N2sing1.36Å1.37ÅAromatic
C17C16doub1.38Å1.38ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
SC9sing1.81Å1.81Å
C2N2sing1.37Å1.37ÅAromatic
C2Ndoub1.33Å1.34ÅAromatic
C3Nsing1.32Å1.33ÅAromatic
N2C5sing1.47Å1.45Å
OC5sing1.45Å1.41Å
OC8sing1.44Å1.44Å
C9C8sing1.53Å1.52Å
C5C6sing1.55Å1.53Å
C8C7sing1.54Å1.53Å
C6C7sing1.55Å1.54Å
C6O2sing1.43Å1.42Å
C7O1sing1.43Å1.42Å
C7H1sing1.09Å1.10Å
C8H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
O1H5sing0.97Å0.95Å
C5H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C4H8sing1.08Å1.08Å
C3H9sing1.08Å1.08Å
N4H10sing0.97Å1.00Å
O2H11sing0.97Å0.95Å
N7H12sing0.97Å1.00Å
N7H13sing0.97Å1.00Å
C10H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C11H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
N6H20sing0.97Å1.00Å
N5H21sing0.97Å1.00Å
C19H22sing1.08Å1.08Å
C18H23sing1.08Å1.08Å
C17H24sing1.08Å1.08Å
C16H25sing1.08Å1.08Å
C15H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4C12C11117.2°109.5°
C12N4C13126.3°120.1°
C12N4H10116.8°120.0°
N4C12H18107.5°109.5°
N4C12H19107.5°109.4°
C12C11C10119.5°109.4°
C12C11H16106.9°109.5°
C12C11H17106.9°109.5°
C11C12H18107.5°109.5°
C11C12H19107.5°109.5°
N7CC1123.7°120.8°
N7CN1118.6°120.8°
CN7H12109.5°120.0°
CN7H13109.5°120.0°
N4C13N5119.1°120.0°
N4C13N6121.6°120.0°
C13N4H10116.9°119.9°
C18C19C14120.0°119.9°
C19C18C17120.5°120.1°
C18C19H22120.0°120.0°
C19C18H23119.8°120.0°
C19C14N5123.4°120.1°
C19C14C15119.3°119.8°
C14C19H22120.0°120.0°
C11C10S112.4°109.5°
C11C10H14108.7°109.5°
C11C10H15108.8°109.5°
C10C11H16106.9°109.5°
C10C11H17106.9°109.5°
C13N5C14125.4°120.0°
N5C13N6119.1°120.0°
C13N5H21117.3°119.9°
N5C14C15117.3°120.1°
C14N5H21117.3°120.0°
C13N6H20112.0°120.0°
C18C17C16119.7°120.1°
C17C18H23119.7°119.9°
C18C17H24120.1°119.9°
C14C15C16120.0°119.9°
C14C15H26120.0°120.0°
C1N3C4103.8°109.4°
N3C1C132.3°134.7°
N3C1C2110.7°107.2°
N3C4N2114.1°110.0°
N3C4H8123.0°125.0°
C1CN1117.6°118.5°
CC1C2117.0°118.2°
CN1C3118.8°121.2°
C1C2N2105.7°106.0°
C1C2N126.7°119.1°
N1C3N128.8°122.5°
N1C3H9115.6°118.8°
C10SC998.1°103.0°
SC10H14108.8°109.4°
SC10H15108.7°109.5°
C4N2C2105.7°107.4°
C4N2C5125.6°126.3°
N2C4H8123.0°125.0°
C17C16C15120.4°120.1°
C16C17H24120.1°120.0°
C17C16H25119.8°119.9°
C15C16H25119.8°120.0°
C16C15H26120.0°120.0°
SC9C8116.0°109.5°
SC9H3107.8°109.5°
SC9H4107.8°109.5°
N2C2N127.6°134.9°
C2N2C5128.6°126.3°
C2NC3111.1°120.6°
NC3H9115.6°118.7°
N2C5O108.0°110.7°
N2C5C6114.6°110.6°
N2C5H6109.7°110.5°
C5OC8107.8°106.9°
OC5C6105.4°103.5°
OC5H6110.3°110.7°
OC8C9105.5°110.0°
OC8C7107.4°107.3°
OC8H2110.3°109.9°
C9C8C7115.5°109.9°
C9C8H2109.2°109.8°
C8C9H3107.8°109.5°
C8C9H4107.8°109.5°
C5C6C7102.2°102.1°
C5C6O2110.6°110.9°
C6C5H6108.7°110.6°
C5C6H7110.4°110.9°
C8C7C6104.0°104.3°
C8C7O1108.1°110.5°
C8C7H1109.4°110.5°
C7C8H2109.0°109.9°
C7C6O2111.1°111.0°
C6C7O1114.5°110.5°
C6C7H1109.4°110.5°
C7C6H7110.2°110.9°
O2C6H7111.9°110.8°
C6O2H11109.5°114.0°
O1C7H1111.0°110.4°
C7O1H5109.5°114.0°
H3C9H4109.5°109.5°
H12N7H13109.4°120.0°
H14C10H15109.5°109.5°
H16C11H17109.5°109.5°
H18C12H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4C12C11H18121.1°120.0°
N4C12C11H19121.1°119.9°
C12N4C13H10180.0°180.0°
N4C12C11C1030.1°180.0°
C12N4C13N51.6°179.9°
C12N4C13N6173.5°0.0°
N4C12C11H16151.5°60.0°
N4C12C11H1791.3°60.0°
N4C12H18H19116.5°119.9°
C11C12N4C1363.9°180.0°
C12C11C10H16121.4°120.0°
C12C11C10H17121.4°120.0°
C12C11C10S140.7°180.0°
C11C12N4H10116.1°0.0°
C12C11C10H1498.9°60.1°
C12C11C10H1520.3°60.0°
C12C11H16H17115.5°120.0°
C11C12H18H19116.5°120.1°
N7CC1N30.1°0.1°
N7CC1N1179.7°179.9°
N7CC1C2179.9°180.0°
N7CN1C3179.7°180.0°
CN7H12H13120.0°180.0°
N4C13N5N6175.2°179.9°
N4C13N5C14175.6°6.0°
C13N4C12H18175.0°60.0°
C13N4C12H1957.2°60.0°
N4C13N6H20175.1°174.7°
N4C13N5H214.4°174.1°
C18C19C14H22180.0°180.0°
C18C19C14N5178.9°180.0°
C19C18C17H23180.0°180.0°
C18C19C14C150.4°0.2°
C19C18C17C160.6°0.0°
C19C18C17H24179.4°180.0°
C19C14N5C13125.4°41.1°
C19C14N5C15179.3°179.8°
C14C19C18C170.3°0.0°
C19C14C15C160.9°0.5°
C19C14N5H2154.6°138.8°
C14C19C18H23179.7°180.0°
C19C14C15H26179.2°179.7°
C11C10SH14120.4°120.0°
C11C10SH15120.4°120.0°
C11C10SC9129.3°180.0°
C11C10H14H15118.7°120.0°
C10C11H16H17115.5°120.0°
C10C11C12H1891.0°60.0°
C10C11C12H19151.2°60.1°
C13N5C14H21180.0°179.9°
C13N5C14C1555.2°139.1°
N5C13N4H10178.4°0.1°
N5C13N6H200.0°5.2°
C14N5C13N69.2°174.0°
N5C14C15C16178.5°179.7°
N5C14C19H221.1°0.1°
N5C14C15H261.5°0.1°
N6C13N4H106.5°180.0°
N6C13N5H21170.8°5.8°
C18C17C16H24180.0°180.0°
C18C17C16C150.2°0.2°
C17C18C19H22179.7°180.0°
C18C17C16H25179.8°180.0°
C14C15C16C170.5°0.5°
C14C15C16H26180.0°179.8°
C15C14N5H21124.7°41.0°
C15C14C19H22179.6°179.8°
C14C15C16H25179.4°179.8°
N3C1CC2180.0°179.9°
N3C1CN1179.8°180.0°
C1N3C4N20.7°0.0°
N3C1C2N20.2°0.1°
N3C1C2N179.5°180.0°
C1N3C4H8179.3°180.0°
C4N3C1C179.7°180.0°
C4N3C1C20.3°0.0°
N3C4N2H8180.0°180.0°
N3C4N2C20.8°0.0°
N3C4N2C5176.3°179.9°
C1CN1C30.6°0.1°
CC1C2N2179.8°180.0°
CC1C2N0.5°0.0°
C1CN7H12179.6°0.0°
C1CN7H1359.6°179.9°
N1CC1C20.2°0.1°
CN1C3N0.5°0.0°
CN1C3H9179.5°180.0°
N1CN7H120.0°180.0°
N1CN7H13120.0°0.0°
C1C2N2C40.6°0.1°
C1C2N2N179.7°179.9°
C1C2NC30.6°0.0°
C1C2N2C5176.4°180.0°
N1C3NC20.2°0.0°
N1C3NH9180.0°180.0°
C10SC9C8174.6°180.0°
C10SC9H353.6°60.0°
C10SC9H464.5°60.0°
SC10H14H15118.7°120.0°
SC10C11H1619.3°60.0°
SC10C11H1797.9°60.0°
C4N2C2C5177.0°179.9°
C4N2C2N179.1°180.0°
C4N2C5O61.5°19.2°
C4N2C5C655.7°94.9°
C4N2C5H6178.3°142.2°
C17C16C15H25180.0°179.8°
C16C17C18H23179.4°180.0°
C17C16C15H26179.5°179.7°
C15C16C17H24179.8°179.8°
SC9C8O67.0°67.1°
SC9C8H3120.9°120.0°
SC9C8H4121.0°120.0°
SC9C8C751.4°175.0°
SC9C8H2174.6°54.0°
SC9H3H4117.0°120.0°
C9SC10H14110.3°60.0°
C9SC10H158.9°60.0°
N2C2NC3179.7°179.9°
C2N2C5O114.9°160.9°
C2N2C5C6127.9°85.0°
C2N2C5H65.3°37.9°
C2N2C4H8179.2°180.0°
NC2N2C53.9°0.1°
C2NC3H9179.9°180.0°
N2C5OC6122.9°118.5°
N2C5OH6119.9°122.9°
N2C5OC8158.6°158.5°
N2C5C6H6123.1°122.8°
N2C5C6C7154.1°155.5°
N2C5C6O287.6°86.2°
N2C5C6H736.9°37.4°
C5N2C4H83.7°0.1°
C5OC8C9144.6°145.9°
OC5C6H6118.3°118.6°
C5OC8C720.9°26.4°
OC5C6C735.5°37.0°
OC5C6O2153.8°155.2°
C5OC8H297.7°93.1°
OC5C6H781.7°81.2°
OC8C9C7118.4°118.0°
OC8C9H2118.5°121.0°
C8OC5C635.7°40.0°
OC8C7H2119.4°119.4°
OC8C7C62.1°1.9°
OC8C7O1120.1°120.7°
OC8C7H1118.9°116.8°
OC8C9H3172.1°172.9°
OC8C9H454.0°53.0°
C8OC5H681.5°78.6°
C9C8C7H2123.3°121.0°
C9C8C7C6115.2°121.5°
C9C8C7O1122.6°119.7°
C9C8C7H11.6°2.8°
C8C9H3H4117.1°120.0°
C5C6C7C822.0°21.0°
C5C6C7O2118.0°118.2°
C5C6C7H7117.4°118.2°
C5C6O2H7123.6°123.6°
C5C6C7O195.8°97.8°
C5C6C7H1138.8°139.7°
C5C6O2H11180.0°180.0°
C8C7C6O1117.8°118.7°
C8C7C6H1116.8°118.7°
C8C7C6O2139.9°139.1°
C8C7O1H1120.0°122.5°
C7C8C9H369.5°55.0°
C7C8C9H4172.3°65.0°
C8C7O1H5180.0°178.1°
C8C7C6H795.4°97.2°
C7C6O2H7123.7°123.7°
C6C7O1H1124.5°122.6°
C6C7C8H2121.5°117.5°
C6C7O1H564.5°63.2°
C7C6C5H682.8°81.6°
C7C6O2H1167.3°67.3°
O2C6C7O122.1°20.4°
O2C6C7H1103.2°102.1°
O2C6C5H635.5°36.6°
O1C7C8H20.7°1.2°
O1C7C6H7146.8°144.1°
H1C7C8H2121.7°123.7°
H1C7O1H560.0°59.3°
H1C7C6H721.4°21.5°
H2C8C9H353.6°66.1°
H2C8C9H464.5°174.0°
H6C5C6H7160.0°160.2°
H7C6O2H1156.4°56.4°
H10N4C12H185.0°120.0°
H10N4C12H19122.8°120.0°
H14C10C11H16139.7°179.9°
H14C10C11H1722.6°59.9°
H15C10C11H16101.2°60.0°
H15C10C11H17141.7°180.0°
H16C11C12H1830.4°60.0°
H16C11C12H1987.4°179.9°
H17C11C12H18147.5°180.0°
H17C11C12H1929.8°59.9°
H22C19C18H230.3°0.0°
H23C18C17H240.6°0.0°
H24C17C16H250.2°0.0°
H25C16C15H260.5°0.1°

222415

PDB entries from 2024-07-10

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