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D0X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing0.00Å1.50Å
C2C3sing0.00Å1.44Å
C2C10doub0.00Å1.45Å
C2RUsing0.00Å2.23Å
C3C4doub0.00Å1.43Å
C3RUsing0.00Å2.26Å
C4C5sing0.00Å1.44Å
C4RUsing0.00Å2.29Å
C5C6sing0.00Å1.51Å
C5C9doub0.00Å1.45Å
C5RUsing0.00Å2.23Å
C6C7sing0.00Å1.54Å
N1C16sing0.00Å1.48Å
N1C17sing0.00Å1.48Å
N1C19sing0.00Å1.49Å
C9C10sing0.00Å1.43Å
C9RUsing0.00Å2.22Å
N2C20sing0.00Å1.48Å
N2C21sing0.00Å1.48Å
N2C19sing0.00Å1.48Å
C10RUsing0.00Å2.19Å
C16P1sing0.00Å1.84Å
C17N3sing0.00Å1.49Å
C18N3sing0.00Å1.49Å
C18P1sing0.00Å1.84Å
N3C21sing0.00Å1.49Å
P1RUsing0.00Å2.35Å
P1C20sing0.00Å1.85Å
C1H1sing0.00Å1.10Å
C1H2sing0.00Å1.10Å
C1H3sing0.00Å1.10Å
C6H6sing0.00Å1.10Å
C7H8sing0.00Å1.10Å
C7H9sing0.00Å1.10Å
C7H10sing0.00Å1.10Å
C16H15sing0.00Å1.10Å
C16H16sing0.00Å1.10Å
C17H17sing0.00Å1.10Å
C17H18sing0.00Å1.10Å
C18H19sing0.00Å1.10Å
C18H20sing0.00Å1.10Å
C20H22sing0.00Å1.10Å
C20H23sing0.00Å1.10Å
C21H24sing0.00Å1.10Å
C21H25sing0.00Å1.10Å
C19H26sing0.00Å1.10Å
C19H27sing0.00Å1.10Å
RUCL1sing0.00Å151.08Å
RUCL2sing0.00Å151.08Å
C6C8sing0.00Å148.01Å
C8H4sing0.00Å0.00Å
C8H5sing0.00Å0.00Å
C8H7sing0.00Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3118.4°90.0°
C1C2C10119.6°90.0°
C1C2RU125.3°90.0°
C2C1H1109.5°90.0°
C2C1H2109.5°90.0°
C2C1H3109.5°90.0°
C3C2C10121.5°90.0°
C3C2RU72.4°90.0°
C2C3C4119.2°90.0°
C2C3RU70.1°90.0°
C10C2RU69.5°90.0°
C2C10C9118.3°90.0°
C2C10RU72.1°90.0°
C2RUC337.5°90.0°
C2RUC466.5°90.0°
C2RUC579.4°90.0°
C2RUC967.7°90.0°
C2RUC1038.4°90.0°
C2RUP1121.2°90.0°
C2RUCL1124.9°90.0°
C2RUCL2124.9°90.0°
C4C3RU72.7°90.0°
C3C4C5120.0°90.0°
C3C4RU70.7°90.0°
C3RUC436.6°90.0°
C3RUC567.1°90.0°
C3RUC980.4°90.0°
C3RUC1069.2°90.0°
C3RUP190.9°90.0°
C3RUCL1103.3°90.0°
C3RUCL2103.3°90.0°
C5C4RU69.4°90.0°
C4C5C6120.8°90.0°
C4C5C9120.5°90.0°
C4C5RU73.5°90.0°
C4RUC537.1°90.0°
C4RUC967.7°90.0°
C4RUC1080.7°90.0°
C4RUP186.5°90.0°
C4RUCL166.8°90.0°
C4RUCL266.8°90.0°
C6C5C9118.6°90.0°
C6C5RU131.7°90.0°
C5C6C7112.9°90.0°
C5C6H693.9°90.0°
C5C6C8176.1°90.0°
C9C5RU70.4°90.0°
C5C9C10120.3°90.0°
C5C9RU71.6°90.0°
C5RUC938.0°90.0°
C5RUC1068.7°90.0°
C5RUP1109.6°90.0°
C5RUCL145.5°90.0°
C5RUCL245.5°90.0°
C7C6H693.7°90.0°
C6C7H8109.5°90.0°
C6C7H9109.5°90.0°
C6C7H10109.5°90.0°
C7C6C866.5°90.0°
C16N1C17110.1°90.0°
C16N1C19112.5°90.0°
N1C16P1107.9°90.0°
N1C16H15109.9°90.0°
N1C16H16109.9°90.0°
C17N1C19110.6°90.0°
N1C17N3112.4°90.0°
N1C17H17108.7°90.0°
N1C17H18108.8°90.0°
N1C19N2112.7°90.0°
N1C19H26108.6°90.0°
N1C19H27108.6°90.0°
C10C9RU70.2°90.0°
C9C10RU71.9°90.0°
C9RUC1037.9°90.0°
C9RUP1147.2°90.0°
C9RUCL168.8°90.0°
C9RUCL268.8°90.0°
C20N2C21111.0°90.0°
C20N2C19111.0°90.0°
N2C20P1106.9°90.0°
N2C20H22110.1°90.0°
N2C20H23110.1°90.0°
C21N2C19111.3°90.0°
N2C21N3113.2°90.0°
N2C21H24108.5°90.0°
N2C21H25108.5°90.0°
N2C19H26108.7°90.0°
N2C19H27108.6°90.0°
C10RUP1159.3°90.0°
C10RUCL1106.6°90.0°
C10RUCL2106.6°90.0°
C16P1C1899.6°90.0°
C16P1RU112.4°90.0°
C16P1C20102.9°90.0°
P1C16H15109.9°90.0°
P1C16H16109.9°90.0°
C17N3C18112.3°90.0°
C17N3C21110.1°90.0°
N3C17H17108.7°90.0°
N3C17H18108.7°90.0°
N3C18P1106.2°90.0°
C18N3C21111.9°90.0°
N3C18H19110.3°90.0°
N3C18H20110.3°90.0°
C18P1RU119.1°90.0°
C18P1C20104.3°90.0°
P1C18H19110.3°90.0°
P1C18H20110.3°90.0°
N3C21H24108.6°90.0°
N3C21H25108.5°90.0°
RUP1C20116.2°90.0°
P1RUCL182.8°90.0°
P1RUCL282.8°90.0°
P1C20H22110.1°90.0°
P1C20H23110.1°90.0°
H1C1H2109.5°90.0°
H1C1H3109.4°90.0°
H2C1H3109.4°90.0°
H6C6C890.0°90.0°
H8C7H9109.5°90.0°
H8C7H10109.5°90.0°
H9C7H10109.5°90.0°
H15C16H16109.4°90.0°
H17C17H18109.5°90.0°
H19C18H20109.5°90.0°
H22C20H23109.4°90.0°
H24C21H25109.4°90.0°
H26C19H27109.5°90.0°
CL1RUCL20.0°90.0°
C6C8H490.0°90.0°
C6C8H590.0°90.0°
C6C8H790.0°90.0°
H4C8H590.0°90.0°
H4C8H790.0°90.0°
H5C8H790.0°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C10172.4°90.0°
C1C2C3RU121.2°90.0°
C1C2C10RU119.8°90.0°
C1C2C3C4176.9°90.0°
C1C2RUC4142.1°90.0°
C1C2RUC5178.7°90.0°
C1C2C10C9176.9°90.0°
C1C2RUC9143.5°90.0°
C1C2RUP172.1°90.0°
C2C1H1H2120.0°90.0°
C2C1H1H3120.0°90.0°
C2C1H2H3120.0°90.0°
C1C2RUCL1176.2°90.0°
C1C2RUCL2176.2°90.0°
C3C2C10RU52.5°90.0°
C2C3C4RU54.4°90.0°
C2C3C4C53.7°90.0°
C2C3RUC5103.0°90.0°
C3C2C10C94.5°90.0°
C2C3RUC965.7°90.0°
C2C3RUP1146.1°90.0°
C3C2C1H1180.0°90.0°
C3C2C1H260.0°90.0°
C3C2C1H360.0°90.0°
C3C2RUCL163.4°90.0°
C3C2RUCL263.4°90.0°
C10C2C3C44.5°90.0°
C2C10RUC463.6°90.0°
C2C10C9C53.8°90.0°
C2C10RUC5100.1°90.0°
C2C10C9RU57.2°90.0°
C2C10RUP110.9°90.0°
C10C2C1H17.5°90.0°
C10C2C1H2112.6°90.0°
C10C2C1H3127.4°90.0°
C10C2RUCL171.4°90.0°
C10C2RUCL271.4°90.0°
C2RUC5C464.7°90.0°
C2RUC4C974.4°90.0°
C2RUC4P1126.3°90.0°
C2RUC4CL1150.0°90.0°
C2RUC4CL2150.0°90.0°
C2RUC5C6178.5°90.0°
C2RUC9C5101.7°90.0°
C2RUC5P1119.5°90.0°
C2RUC5CL1177.1°90.0°
C2RUC5CL2177.1°90.0°
C2RUC9P1113.4°90.0°
C2RUC9CL1145.3°90.0°
C2RUC9CL2145.3°90.0°
C2RUP1C16120.8°90.0°
C2RUP1C184.9°90.0°
C2RUP1CL1126.7°90.0°
C2RUP1CL2126.7°90.0°
C2RUP1C20121.2°90.0°
RUC2C1H192.2°90.0°
RUC2C1H227.8°90.0°
RUC2C1H3147.8°90.0°
C2RUCL1CL290.0°90.0°
C3C4C5RU51.4°90.0°
C3C4C5C6179.5°90.0°
C3C4C5C93.1°90.0°
C3C4RUC9104.5°90.0°
C3C4RUC1067.4°90.0°
C3C4RUP196.3°90.0°
C4C3RUCL10.1°90.0°
C4C3RUCL20.1°90.0°
C3RUC5C6144.4°90.0°
C3RUC9C564.9°90.0°
C3RUC5C1075.5°90.0°
C3RUC5P182.4°90.0°
C3RUC5CL1140.0°90.0°
C3RUC5CL2140.0°90.0°
C3RUC10C9101.5°90.0°
C3RUC9P176.6°90.0°
C3RUC9CL1108.5°90.0°
C3RUC9CL2108.5°90.0°
C3RUC10P116.6°90.0°
C3RUC10CL198.3°90.0°
C3RUC10CL298.3°90.0°
C3RUP1C1697.4°90.0°
C3RUP1C1818.5°90.0°
C3RUP1CL1103.3°90.0°
C3RUP1CL2103.3°90.0°
C3RUP1C20144.6°90.0°
C3RUCL1CL290.0°90.0°
C4C5C6C9176.5°90.0°
C4C5C6RU95.0°90.0°
C4C5C9RU55.9°90.0°
C4C5C6C7110.0°90.0°
C4C5C9C103.2°90.0°
C4C5RUC10103.2°90.0°
C4C5RUP154.8°90.0°
C4C5C6H6154.3°90.0°
C5C4RUCL145.9°90.0°
C5C4RUCL245.9°90.0°
C4C5C6C829.6°90.0°
C4RUC10C965.4°90.0°
C4RUC9P140.8°90.0°
C4RUC9CL172.7°90.0°
C4RUC9CL272.7°90.0°
C4RUC10P152.7°90.0°
C4RUC10CL162.2°90.0°
C4RUC10CL262.2°90.0°
C4RUP1C1661.1°90.0°
C4RUP1C1854.8°90.0°
C4RUP1CL167.0°90.0°
C4RUP1CL267.0°90.0°
C4RUP1C20179.1°90.0°
C4RUCL1CL290.0°90.0°
C6C5C9RU127.6°90.0°
C5C6C7H695.8°90.0°
C5C6C7C8175.8°90.0°
C6C5C9C10179.7°90.0°
C6C5RUC10140.1°90.0°
C6C5RUP162.0°90.0°
C5C6H6C8179.7°90.0°
C5C6C7H8180.0°90.0°
C5C6C7H960.0°90.0°
C5C6C7H1060.0°90.0°
C6C5RUCL14.4°90.0°
C6C5RUCL24.4°90.0°
C5C6C8H490.0°90.0°
C5C6C8H590.0°90.0°
C5C6C8H790.0°90.0°
C9C5C6C766.5°90.0°
C5C9C10RU53.3°90.0°
C5C9RUP111.7°90.0°
C9C5C6H629.3°90.0°
C9C5RUCL1115.7°90.0°
C9C5RUCL2115.7°90.0°
C9C5C6C8146.9°90.0°
RUC5C6C7155.0°90.0°
C5RUC10P189.2°90.0°
C5RUC10CL125.7°90.0°
C5RUC10CL225.7°90.0°
C5RUP1C1631.4°90.0°
C5RUP1C1884.4°90.0°
C5RUP1CL137.4°90.0°
C5RUP1CL237.4°90.0°
C5RUP1C20149.5°90.0°
RUC5C6H659.3°90.0°
C5RUCL1CL290.0°90.0°
RUC5C6C8124.6°90.0°
C7C6H6C866.4°90.0°
C6C7H8H9120.0°90.0°
C6C7H8H10120.0°90.0°
C6C7H9H10120.0°90.0°
C7C6C8H490.0°90.0°
C7C6C8H590.0°90.0°
C7C6C8H790.0°90.0°
C16N1C17C19125.0°90.0°
C16N1C19N269.5°90.0°
N1C16P1H15119.8°90.0°
N1C16P1H16119.8°90.0°
C16N1C17N369.0°90.0°
N1C16P1C1857.2°90.0°
N1C16P1RU175.7°90.0°
N1C16P1C2050.0°90.0°
N1C16H15H16120.7°90.0°
C16N1C17H17170.6°90.0°
C16N1C17H1851.5°90.0°
C16N1C19H2651.0°90.0°
C16N1C19H27170.1°90.0°
C17N1C19N254.1°90.0°
C17N1C16P164.8°90.0°
N1C17N3H17120.4°90.0°
N1C17N3H18120.4°90.0°
N1C17N3C1869.9°90.0°
N1C17N3C2155.6°90.0°
C17N1C16H1555.0°90.0°
C17N1C16H16175.4°90.0°
N1C17H17H18118.7°90.0°
C17N1C19H26174.6°90.0°
C17N1C19H2766.3°90.0°
N1C19N2C2071.9°90.0°
N1C19N2C2152.2°90.0°
N1C19N2H26120.5°90.0°
N1C19N2H27120.5°90.0°
C19N1C16P159.1°90.0°
C19N1C17N356.0°90.0°
C19N1C16H15178.8°90.0°
C19N1C16H1660.7°90.0°
C19N1C17H1764.4°90.0°
C19N1C17H18176.5°90.0°
N1C19H26H27118.5°90.0°
C9C10RUP1118.1°90.0°
C10C9RUCL1176.7°90.0°
C10C9RUCL2176.7°90.0°
C9RUP1C1623.8°90.0°
C9RUP1C1892.1°90.0°
C9RUP1CL129.7°90.0°
C9RUP1CL229.7°90.0°
C9RUP1C20141.8°90.0°
C9RUCL1CL290.0°90.0°
C20N2C21C19124.1°90.0°
N2C20P1C1652.3°90.0°
N2C20P1C1851.4°90.0°
C20N2C21N371.8°90.0°
N2C20P1RU175.4°90.0°
N2C20P1H22119.6°90.0°
N2C20P1H23119.6°90.0°
N2C20H22H23121.2°90.0°
C20N2C21H2448.8°90.0°
C20N2C21H25167.6°90.0°
C20N2C19H2648.5°90.0°
C20N2C19H27167.6°90.0°
N2C21N3C1753.7°90.0°
N2C21N3C1872.0°90.0°
N2C21N3H24120.6°90.0°
N2C21N3H25120.6°90.0°
C21N2C20P161.0°90.0°
C21N2C20H22179.5°90.0°
C21N2C20H2358.7°90.0°
N2C21H24H25118.3°90.0°
C21N2C19H26172.6°90.0°
C21N2C19H2768.3°90.0°
C19N2C21N352.3°90.0°
C19N2C20P163.3°90.0°
C19N2C20H2256.2°90.0°
C19N2C20H23177.0°90.0°
C19N2C21H24172.9°90.0°
C19N2C21H2568.3°90.0°
N2C19H26H27118.5°90.0°
C10RUP1C16112.9°90.0°
C10RUP1C183.0°90.0°
C10RUP1CL1118.8°90.0°
C10RUP1CL2118.8°90.0°
C10RUP1C20129.1°90.0°
C10RUCL1CL290.0°90.0°
C16P1C18N355.5°90.0°
C16P1C18RU122.4°90.0°
C16P1C18C20106.0°90.0°
C16P1RUC20118.1°90.0°
P1C16H15H16120.7°90.0°
C16P1C18H19175.0°90.0°
C16P1C18H2064.0°90.0°
C16P1C20H2267.3°90.0°
C16P1C20H23171.9°90.0°
C16P1RUCL16.0°90.0°
C16P1RUCL26.0°90.0°
C17N3C18C21124.5°90.0°
C17N3C18P164.0°90.0°
N3C17H17H18118.7°90.0°
C17N3C18H19176.5°90.0°
C17N3C18H2055.5°90.0°
C17N3C21H24174.3°90.0°
C17N3C21H2566.9°90.0°
N3C18P1H19119.5°90.0°
N3C18P1H20119.5°90.0°
N3C18P1RU177.9°90.0°
N3C18P1C2050.6°90.0°
C18N3C17H17169.7°90.0°
C18N3C17H1850.6°90.0°
N3C18H19H20121.5°90.0°
C18N3C21H2448.6°90.0°
C18N3C21H25167.4°90.0°
P1C18N3C2160.5°90.0°
C18P1RUC20126.1°90.0°
C18P1C16H1562.6°90.0°
C18P1C16H16177.0°90.0°
P1C18H19H20121.5°90.0°
C18P1C20H22171.0°90.0°
C18P1C20H2368.3°90.0°
C18P1RUCL1121.8°90.0°
C18P1RUCL2121.8°90.0°
C21N3C17H1764.8°90.0°
C21N3C17H18176.0°90.0°
C21N3C18H1959.0°90.0°
C21N3C18H20180.0°90.0°
N3C21H24H25118.3°90.0°
RUP1C16H1564.5°90.0°
RUP1C16H1655.9°90.0°
RUP1C18H1962.6°90.0°
RUP1C18H2058.4°90.0°
RUP1C20H2255.8°90.0°
RUP1C20H2365.0°90.0°
P1RUCL1CL290.0°90.0°
C20P1C16H15169.8°90.0°
C20P1C16H1669.8°90.0°
C20P1C18H1968.9°90.0°
C20P1C18H20170.0°90.0°
P1C20H22H23121.2°90.0°
C20P1RUCL1112.1°90.0°
C20P1RUCL2112.1°90.0°
H1C1H2H3120.0°90.0°
H6C6C7H884.2°90.0°
H6C6C7H935.8°90.0°
H6C6C7H10155.8°90.0°
H6C6C8H490.0°90.0°
H6C6C8H590.0°90.0°
H6C6C8H790.0°90.0°
H8C7H9H10120.0°90.0°
H8C7C6C84.2°90.0°
H9C7C6C8124.2°90.0°
H10C7C6C8115.8°90.0°
C6C8H4H590.0°90.0°
C6C8H4H790.0°90.0°
C6C8H5H790.0°90.0°
H4C8H5H790.0°90.0°

222624

PDB entries from 2024-07-17

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