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P2J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4N5doub1.32Å1.33ÅAromatic
C4N3sing1.32Å1.32ÅAromatic
N5C6sing1.33Å1.33ÅAromatic
N3C2doub1.33Å1.36ÅAromatic
C6N17sing1.38Å1.47Å
C6C1doub1.40Å1.40ÅAromatic
O23C14sing1.43Å1.36Å
C2C1sing1.41Å1.39ÅAromatic
C2N9sing1.37Å1.38ÅAromatic
C14C13sing1.55Å1.54Å
C14C10sing1.55Å1.53Å
C1N7sing1.35Å1.35ÅAromatic
O77C75doub1.21Å1.26Å
C13O22sing1.43Å1.51Å
C13C12sing1.54Å1.29Å
N9C10sing1.46Å1.53Å
N9C8sing1.36Å1.33ÅAromatic
C10O11sing1.44Å1.28Å
N7C8doub1.30Å1.33ÅAromatic
C75C20sing1.51Å1.52Å
C75O76sing1.34Å1.26Å
N21C20sing1.47Å1.45Å
C15C12sing1.53Å1.55Å
C15N16sing1.47Å1.53Å
C12O11sing1.44Å1.64Å
C20C19sing1.53Å1.55Å
N16C18sing1.47Å1.50Å
N16C24sing1.47Å1.53Å
C19C18sing1.53Å1.56Å
C24C25sing1.53Å1.62Å
C25C26sing1.53Å1.63Å
C27C26sing1.53Å1.62Å
C27C28sing1.53Å1.62Å
C4H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
C10H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
C18H9sing1.09Å1.10Å
C18H10sing1.09Å1.10Å
C19H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C25H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C26H18sing1.09Å1.10Å
C26H19sing1.09Å1.10Å
C27H20sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C28H22sing1.09Å1.10Å
C28H23sing1.09Å1.10Å
C28H24sing1.09Å1.10Å
N17H26sing0.97Å1.00Å
N17H27sing0.97Å1.00Å
N21H28sing1.01Å1.00Å
N21H29sing1.01Å1.00Å
O22H31sing0.97Å0.95Å
O23H32sing0.97Å0.95Å
O76H33sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N5C4N3119.4°122.4°
C4N5C6121.5°121.2°
N5C4H1120.3°118.8°
C4N3C2123.5°120.7°
N3C4H1120.3°118.8°
N5C6N17120.4°120.8°
N5C6C1120.1°118.4°
N3C2C1117.6°119.1°
N3C2N9136.0°134.9°
N17C6C1119.5°120.8°
C6N17H26109.5°120.0°
C6N17H27109.5°120.0°
C6C1C2117.9°118.2°
C6C1N7135.1°134.7°
O23C14C13110.2°110.9°
O23C14C10110.3°110.9°
O23C14H6113.6°110.9°
C14O23H32109.5°114.0°
C1C2N9106.3°106.0°
C2C1N7107.0°107.2°
C2N9C10130.4°126.3°
C2N9C8108.2°107.4°
C13C14C10100.5°102.1°
C14C13O22109.6°110.5°
C14C13C12105.3°104.2°
C14C13H5108.9°110.6°
C13C14H6110.7°110.9°
C14C10N9116.2°110.8°
C14C10O11100.8°103.4°
C14C10H3107.1°110.6°
C10C14H6110.8°110.9°
C1N7C8109.2°109.4°
O77C75C20119.6°120.0°
O77C75O76120.1°120.0°
O22C13C12110.9°110.5°
O22C13H5109.3°110.4°
C13O22H31109.5°114.0°
C13C12C15108.5°110.0°
C13C12O11106.4°107.3°
C13C12H4113.4°109.9°
C12C13H5112.7°110.5°
C10N9C8121.4°126.3°
N9C10O11114.8°110.6°
N9C10H3107.2°110.6°
N9C8N7109.3°110.0°
N9C8H2125.4°125.0°
C10O11C12104.0°107.0°
O11C10H3110.5°110.6°
N7C8H2125.4°125.0°
C20C75O76120.3°120.0°
C75C20N21110.0°109.5°
C75C20C19110.5°109.5°
C75C20H13108.6°109.5°
C75O76H33109.5°117.0°
N21C20C19110.0°109.4°
N21C20H13109.6°109.4°
C20N21H28109.5°110.9°
C20N21H29109.4°111.0°
C12C15N16115.2°109.5°
C15C12O11111.1°109.8°
C15C12H4109.3°109.8°
C12C15H7108.0°109.5°
C12C15H8108.0°109.5°
C15N16C18115.7°111.0°
C15N16C24114.0°111.0°
N16C15H7108.0°109.5°
N16C15H8108.0°109.5°
O11C12H4108.2°109.9°
C20C19C18111.4°109.5°
C20C19H11109.0°109.4°
C20C19H12109.0°109.4°
C19C20H13108.2°109.5°
C18N16C24113.2°111.0°
N16C18C19108.6°109.5°
N16C18H9109.7°109.5°
N16C18H10109.7°109.5°
N16C24C25108.2°109.4°
N16C24H14109.8°109.4°
N16C24H15109.8°109.5°
C19C18H9109.7°109.5°
C19C18H10109.7°109.5°
C18C19H11109.0°109.5°
C18C19H12109.0°109.5°
C24C25C26111.9°109.5°
C25C24H14109.8°109.5°
C25C24H15109.8°109.5°
C24C25H16108.8°109.5°
C24C25H17108.8°109.5°
C25C26C27112.6°109.5°
C26C25H16108.9°109.4°
C26C25H17108.9°109.5°
C25C26H18108.7°109.4°
C25C26H19108.7°109.5°
C26C27C28110.6°109.5°
C27C26H18108.7°109.5°
C27C26H19108.7°109.5°
C26C27H20109.2°109.5°
C26C27H21109.2°109.4°
C28C27H20109.2°109.5°
C28C27H21109.2°109.5°
C27C28H22109.5°109.5°
C27C28H23109.5°109.5°
C27C28H24109.5°109.5°
H7C15H8109.5°109.5°
H9C18H10109.5°109.4°
H11C19H12109.5°109.5°
H14C24H15109.5°109.5°
H16C25H17109.5°109.5°
H18C26H19109.5°109.4°
H20C27H21109.5°109.5°
H22C28H23109.4°109.5°
H22C28H24109.5°109.5°
H23C28H24109.5°109.5°
H26N17H27109.5°120.0°
H28N21H29109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N5C4N3H1180.0°179.8°
N5C4N3C20.0°0.1°
C4N5C6N17179.9°180.0°
C4N5C6C10.1°0.1°
N3C4N5C60.1°0.1°
C4N3C2C10.3°0.1°
C4N3C2N9179.4°180.0°
N5C6N17C1179.9°179.9°
N5C6C1C20.3°0.0°
N5C6C1N7179.3°180.0°
C6N5C4H1179.9°179.7°
N5C6N17H260.0°180.0°
N5C6N17H27120.0°0.1°
N3C2C1C60.4°0.0°
N3C2C1N9179.7°180.0°
N3C2C1N7179.7°180.0°
N3C2N9C101.4°0.0°
N3C2N9C8179.9°180.0°
C2N3C4H1180.0°179.7°
N17C6C1C2179.8°180.0°
N17C6C1N70.8°0.1°
C6N17H26H27120.0°179.9°
C6C1C2N7179.3°180.0°
C6C1C2N9179.3°180.0°
C6C1N7C8179.6°180.0°
C1C6N17H26179.9°0.1°
C1C6N17H2760.1°180.0°
O23C14C13C10116.4°118.2°
O23C14C13H6126.5°123.7°
O23C14C10H6126.7°123.6°
O23C14C13O22158.0°144.0°
O23C14C13C1282.6°97.3°
O23C14C10N956.4°37.4°
O23C14C10O1168.3°81.2°
O23C14C10H3176.1°160.3°
O23C14C13H538.5°21.5°
C1C2N9C10178.9°180.0°
C1C2N9C80.4°0.0°
C2C1N7C80.5°0.0°
C2N9C10C142.1°89.4°
N9C2C1N70.1°0.0°
C2N9C10C8178.3°180.0°
C2N9C10O11119.4°156.5°
C2N9C8N70.8°0.0°
C2N9C8H2179.2°180.0°
C2N9C10H3117.5°33.5°
C13C14C10H6117.1°118.2°
C14C13O22C12115.9°114.8°
C14C13O22H5119.2°122.6°
C14C13C12H5118.6°118.8°
C13C14C10N9172.6°155.6°
C13C14C10O1147.9°37.0°
C14C13C12C15109.5°121.5°
C14C13C12O1110.1°2.1°
C13C14C10H367.7°81.5°
C14C13C12H4128.8°117.4°
C14C13O22H31180.0°65.2°
C13C14O23H32180.0°61.5°
C10C14C13O2285.6°97.8°
C10C14C13C1233.7°20.9°
C14C10N9O11117.2°114.1°
C14C10N9H3119.7°123.0°
C14C10N9C8179.6°90.6°
C14C10O11H3113.0°118.4°
C14C10O11C1241.3°40.1°
C10C14C13H5154.9°139.6°
C10C14O23H3270.0°174.2°
C1N7C8N90.8°0.0°
C1N7C8H2179.2°180.0°
O77C75C20O76179.8°179.9°
O77C75C20N21114.7°20.0°
O77C75C20C19123.6°99.9°
O77C75C20H135.1°140.0°
O77C75O76H330.0°0.1°
O22C13C12H5122.9°122.5°
O22C13C12C15132.0°119.8°
O22C13C12O11108.4°120.7°
O22C13C12H410.3°1.2°
O22C13C14H631.5°20.3°
C13C12O11C1021.6°26.6°
C13C12C15O11116.6°117.9°
C13C12C15H4124.1°121.1°
C13C12C15N16141.0°179.4°
C13C12O11H4122.1°119.5°
C12C13C14H6150.9°139.0°
C13C12C15H798.1°59.3°
C13C12C15H820.2°60.6°
C12C13O22H3164.1°180.0°
N9C10O11H3121.3°122.9°
C10N9C8N7179.4°180.0°
N9C10O11C12166.9°158.7°
C10N9C8H20.6°0.0°
N9C10C14H670.3°86.2°
C8N9C10O1162.3°23.5°
N9C8N7H2180.0°179.9°
C8N9C10H360.8°146.5°
C10O11C12C15139.5°146.1°
C10O11C12H4100.5°93.0°
O11C10C14H6165.0°155.2°
C75C20N21C19121.9°120.0°
C75C20N21H13119.3°120.0°
C75C20C19H13118.8°120.1°
C75C20C19C18135.7°175.0°
C75C20C19H11104.1°55.0°
C75C20C19H1215.4°65.0°
C75C20N21H28180.0°63.9°
C75C20N21H2960.0°60.0°
C20C75O76H33179.8°180.0°
O76C75C20N2165.1°160.0°
O76C75C20C1956.5°80.0°
O76C75C20H13175.0°40.0°
N21C20C19H13119.6°119.9°
N21C20C19C18102.7°65.0°
N21C20C19H1117.5°175.0°
N21C20C19H12137.0°55.1°
C20N21H28H29120.0°123.8°
C12C15N16H7120.9°120.0°
C12C15N16H8120.8°120.0°
C15C12O11H4120.0°120.9°
C12C15N16C1864.3°170.0°
C12C15N16C2469.5°66.0°
C15C12C13H59.1°2.7°
C12C15H7H8117.3°120.0°
N16C15C12O11102.4°61.5°
C15N16C18C24134.1°124.0°
C15N16C18C19112.5°75.9°
C15N16C24C25117.5°163.9°
N16C15C12H416.9°59.5°
N16C15H7H8117.4°120.0°
C15N16C18H97.4°164.0°
C15N16C18H10127.7°44.1°
C15N16C24H14122.7°43.9°
C15N16C24H152.3°76.1°
C12O11C10H371.8°78.4°
O11C12C13H5128.7°116.7°
O11C12C15H718.5°58.6°
O11C12C15H8136.8°178.5°
C20C19C18N1661.8°178.7°
C20C19C18H11120.3°119.9°
C20C19C18H12120.3°120.0°
C20C19C18H958.1°61.3°
C20C19C18H10178.4°58.7°
C20C19H11H12119.1°119.9°
C19C20N21H2858.1°176.1°
C19C20N21H29178.1°60.1°
N16C18C19H9119.9°120.0°
N16C18C19H10119.8°120.1°
C18N16C24C25107.6°72.2°
C18N16C15H7174.8°50.0°
C18N16C15H856.5°70.0°
N16C18H9H10120.3°120.0°
N16C18C19H1158.5°61.4°
N16C18C19H12178.0°58.7°
C18N16C24H1412.2°167.9°
C18N16C24H15132.6°47.8°
C24N16C18C19113.4°160.1°
N16C24C25H14119.8°120.0°
N16C24C25H15119.8°120.0°
N16C24C25C26159.2°174.5°
C24N16C15H751.4°174.0°
C24N16C15H8169.7°54.0°
C24N16C18H9126.7°40.1°
C24N16C18H106.5°79.9°
N16C24H14H15120.6°120.0°
N16C24C25H1680.4°54.6°
N16C24C25H1738.9°65.4°
C19C18H9H10120.4°119.9°
C18C19H11H12119.1°120.1°
C18C19C20H1316.9°54.9°
C24C25C26H16120.3°120.0°
C24C25C26H17120.4°120.1°
C24C25C26C27130.6°180.0°
C25C24H14H15120.6°120.0°
C24C25H16H17118.9°120.1°
C24C25C26H18109.0°60.0°
C24C25C26H1910.1°59.9°
C25C26C27H18120.5°120.0°
C25C26C27H19120.5°120.1°
C25C26C27C28115.4°180.0°
C26C25C24H1439.4°54.6°
C26C25C24H1581.0°65.5°
C26C25H16H17118.9°120.0°
C25C26H18H19118.6°120.0°
C25C26C27H20124.4°60.0°
C25C26C27H214.7°60.0°
C26C27C28H20120.2°120.0°
C26C27C28H21120.2°120.0°
C27C26C25H1610.2°60.0°
C27C26C25H17109.1°59.9°
C27C26H18H19118.5°120.0°
C26C27H20H21119.5°120.0°
C26C27C28H22180.0°180.0°
C26C27C28H2360.0°60.0°
C26C27C28H2460.0°60.0°
C28C27C26H185.1°60.0°
C28C27C26H19124.1°60.0°
C28C27H20H21119.5°120.0°
C27C28H22H23120.0°120.0°
C27C28H22H24120.0°120.0°
C27C28H23H24120.0°120.0°
H3C10C14H649.4°36.7°
H4C12C13H5112.6°123.8°
H4C12C15H7137.8°179.6°
H4C12C15H8103.9°60.5°
H5C13C14H687.9°102.2°
H5C13O22H3160.8°57.4°
H6C14O23H3255.1°62.2°
H9C18C19H11178.4°58.7°
H9C18C19H1262.2°178.7°
H10C18C19H1161.3°178.6°
H10C18C19H1258.1°61.3°
H11C19C20H13137.2°65.1°
H12C19C20H13103.4°175.0°
H13C20N21H2860.7°56.1°
H13C20N21H2959.3°180.0°
H14C24C25H16159.8°65.3°
H14C24C25H1780.9°174.6°
H15C24C25H1639.4°174.6°
H15C24C25H17158.7°54.6°
H16C25C26H18130.7°180.0°
H16C25C26H19110.2°60.0°
H17C25C26H1811.4°60.1°
H17C25C26H19130.4°180.0°
H18C26C27H20115.1°180.0°
H18C26C27H21125.2°60.0°
H19C26C27H203.9°60.0°
H19C26C27H21115.7°179.9°
H20C27C28H2259.8°60.0°
H20C27C28H23179.8°180.0°
H20C27C28H2460.2°60.0°
H21C27C28H2259.8°60.1°
H21C27C28H2360.2°60.0°
H21C27C28H24179.9°179.9°
H22C28H23H24120.0°120.0°

223790

PDB entries from 2024-08-14

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