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L80

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OC18sing1.44Å1.44Å
OC19sing1.44Å1.42Å
C18C17sing1.54Å1.53Å
C19C20sing1.54Å1.51Å
C17C20sing1.54Å1.53Å
C17N5sing1.47Å1.48Å
C20O1sing1.43Å1.43Å
C21N5sing1.47Å1.47Å
C21C22sing1.53Å1.52Å
N5C16sing1.47Å1.47Å
C22C14sing1.53Å1.53Å
C16C15sing1.53Å1.51Å
C14C15sing1.53Å1.53Å
C14C13sing1.51Å1.52Å
C15F2sing1.40Å1.41Å
CLCsing1.74Å1.73Å
C13Cdoub1.39Å1.40ÅAromatic
C13C12sing1.36Å1.37ÅAromatic
CC1sing1.36Å1.36ÅAromatic
C12C11doub1.40Å1.41ÅAromatic
C1C2doub1.40Å1.41ÅAromatic
C11C2sing1.42Å1.41ÅAromatic
C11N4sing1.34Å1.37ÅAromatic
C2C3sing1.41Å1.42ÅAromatic
N4C4doub1.32Å1.34ÅAromatic
C10N3doub1.31Å1.32ÅAromatic
C10C5sing1.40Å1.40ÅAromatic
C3Ndoub1.32Å1.32ÅAromatic
N3N2sing1.40Å1.37ÅAromatic
C4Nsing1.33Å1.34ÅAromatic
C4N1sing1.38Å1.38Å
C5N1sing1.41Å1.37Å
C5C6doub1.36Å1.37ÅAromatic
C9C7sing1.53Å1.50Å
C9C8sing1.53Å1.45Å
N2C6sing1.36Å1.35ÅAromatic
N2C7sing1.46Å1.48Å
C6CL1sing1.74Å1.70Å
FC8sing1.40Å1.37Å
C7C8sing1.53Å1.54Å
C8F1sing1.40Å1.37Å
C15H3sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C17H4sing1.09Å1.10Å
C20H5sing1.09Å1.10Å
O1H18sing0.97Å0.95Å
C19H17sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C12H11sing1.08Å1.08Å
C1H6sing1.08Å1.08Å
C3H7sing1.08Å1.08Å
N1H1sing0.97Å1.00Å
C10H10sing1.08Å1.08Å
C7Hsing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18OC19109.4°105.3°
OC18C17106.5°104.8°
OC18H15110.2°110.3°
OC18H14110.2°110.4°
OC19C20105.5°104.8°
OC19H17110.4°110.4°
OC19H16110.5°110.5°
C18C17C20101.2°104.0°
C18C17N5113.5°110.5°
C18C17H4109.1°110.6°
C17C18H15110.2°110.4°
C17C18H14110.2°110.4°
C19C20C17101.4°104.1°
C19C20O1111.6°110.5°
C19C20H5110.0°110.6°
C20C19H17110.5°110.4°
C20C19H16110.5°110.4°
C20C17N5114.0°110.6°
C17C20O1112.4°110.5°
C20C17H4109.0°110.5°
C17C20H5109.8°110.5°
C17N5C21115.2°111.1°
C17N5C16108.6°111.0°
N5C17H4109.7°110.5°
O1C20H5111.2°110.4°
C20O1H18109.5°114.0°
N5C21C22111.7°109.5°
C21N5C16108.6°111.2°
N5C21H20108.9°109.5°
N5C21H19108.9°109.5°
C21C22C14111.7°109.3°
C22C21H20108.9°109.5°
C22C21H19108.9°109.5°
C21C22H22108.9°109.5°
C21C22H21108.9°109.5°
N5C16C15111.8°109.5°
N5C16H13108.9°109.5°
N5C16H12108.9°109.5°
C22C14C15108.7°109.2°
C22C14C13111.2°109.5°
C14C22H22108.9°109.5°
C14C22H21108.9°109.5°
C22C14H2106.3°109.5°
C16C15C14109.6°109.3°
C16C15F2107.8°109.5°
C16C15H3109.3°109.5°
C15C16H13108.9°109.4°
C15C16H12108.9°109.4°
C15C14C13117.1°109.6°
C14C15F2110.4°109.5°
C14C15H3109.0°109.5°
C15C14H2106.4°109.5°
C14C13C123.0°119.5°
C14C13C12119.2°119.4°
C13C14H2106.5°109.5°
F2C15H3110.8°109.5°
CLCC13119.6°119.5°
CLCC1118.4°119.5°
CC13C12117.4°121.1°
C13CC1121.9°120.9°
C13C12C11119.4°119.6°
C13C12H11120.3°120.2°
CC1C2120.5°119.5°
CC1H6119.7°120.3°
C12C11C2119.6°119.3°
C12C11N4118.1°122.0°
C11C12H11120.3°120.2°
C1C2C11117.2°119.6°
C1C2C3128.6°122.0°
C2C1H6119.7°120.3°
C2C11N4122.3°118.7°
C11C2C3114.1°118.4°
C11N4C4116.0°120.2°
C2C3N124.8°118.5°
C2C3H7117.6°120.8°
N4C4N127.0°122.7°
N4C4N1115.3°118.7°
N3C10C5112.0°108.3°
C10N3N2105.3°108.4°
N3C10H10124.0°125.8°
C10C5N1133.7°126.1°
C10C5C6104.3°107.9°
C5C10H10124.0°125.9°
C3NC4115.8°121.5°
NC3H7117.6°120.7°
N3N2C6110.2°107.9°
N3N2C7118.2°126.1°
NC4N1117.7°118.7°
C4N1C5127.9°120.0°
C4N1H1116.0°120.0°
N1C5C6121.8°126.0°
C5N1H1116.1°120.0°
C5C6N2108.2°107.5°
C5C6CL1127.9°126.3°
C7C9C862.7°60.0°
C9C7N2113.4°117.5°
C9C7C857.2°60.0°
C9C7H116.9°117.5°
C7C9H8119.5°117.5°
C7C9H9119.5°117.5°
C9C8F120.7°117.5°
C9C8C760.0°60.0°
C9C8F1120.3°117.5°
C8C9H8119.5°117.5°
C8C9H9119.5°117.5°
C6N2C7131.4°126.0°
N2C6CL1123.9°126.2°
N2C7C8121.5°117.5°
N2C7H117.3°115.5°
FC8C7119.5°117.5°
FC8F1109.3°115.6°
C7C8F1119.8°117.5°
C8C7H116.2°117.5°
H13C16H12109.5°109.5°
H17C19H16109.5°110.4°
H15C18H14109.5°110.4°
H20C21H19109.4°109.4°
H22C22H21109.4°109.6°
H8C9H9109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OC18C17H15119.5°118.8°
OC18C17H14119.5°118.9°
C18OC19C2020.5°40.5°
OC18C17C2027.3°24.0°
OC18C17N5149.9°142.6°
OC18C17H487.5°94.7°
C18OC19H17139.9°159.3°
C18OC19H1698.8°78.4°
OC18H15H14121.3°122.3°
C19OC18C174.7°40.5°
OC19C20H17119.3°118.8°
OC19C20H16119.4°118.9°
OC19C20C1737.0°24.0°
OC19C20O182.8°142.6°
OC19C20H5153.2°94.7°
OC19H17H16121.8°122.4°
C19OC18H15124.3°78.3°
C19OC18H14114.8°159.4°
C18C17C20C1938.3°0.0°
C18C17C20N5122.2°118.6°
C18C17C20H4114.9°118.7°
C18C17N5H4122.3°122.7°
C18C17C20O181.0°118.7°
C18C17N5C2147.4°49.1°
C18C17N5C16169.4°173.3°
C18C17C20H5154.6°118.8°
C17C18H15H14121.4°122.3°
C19C20C17O1119.2°118.7°
C19C20C17H5116.4°118.8°
C19C20C17N5160.5°118.6°
C19C20O1H5123.3°122.7°
C19C20C17H476.6°118.7°
C19C20O1H18180.0°65.3°
C20C19H17H16121.9°122.3°
C20C17N5H4122.5°122.7°
C17C20O1H5123.6°122.6°
C20C17N5C21162.6°163.7°
C20C17N5C1675.4°72.0°
C17C20O1H1866.9°180.0°
C17C20C19H17156.4°142.8°
C17C20C19H1682.3°94.9°
C20C17C18H15146.8°94.8°
C20C17C18H1492.2°142.9°
N5C17C20O141.3°0.0°
C17N5C21C16122.0°124.1°
C17N5C21C22179.6°174.1°
C17N5C16C15172.1°174.1°
C17N5C16H1351.7°65.9°
C17N5C16H1267.6°54.1°
N5C17C20H583.1°122.6°
N5C17C18H1590.6°23.8°
N5C17C18H1430.3°98.5°
C17N5C21H2060.1°65.8°
C17N5C21H1959.2°54.1°
O1C20C17H4164.2°122.6°
O1C20C19H1736.5°98.5°
O1C20C19H16157.8°23.7°
N5C21C22H20120.4°120.1°
N5C21C22H19120.4°120.0°
N5C21C22C1455.8°59.2°
C21N5C16C1562.0°61.7°
C21N5C16H13177.6°58.3°
C21N5C16H1258.3°178.3°
C21N5C17H474.9°73.6°
N5C21H20H19119.0°119.9°
N5C21C22H22176.2°179.1°
N5C21C22H2164.5°60.8°
C22C21N5C1658.4°61.8°
C21C22C14H22120.4°119.9°
C21C22C14H21120.3°119.9°
C21C22C14C1553.2°57.6°
C21C22C14C13176.5°177.6°
C22C21H20H19119.0°119.9°
C21C22H22H21119.0°120.1°
C21C22C14H261.0°62.3°
N5C16C15H13120.4°120.0°
N5C16C15H12120.3°120.0°
N5C16C15C1461.5°59.1°
N5C16C15F2178.4°179.1°
N5C16C15H357.9°60.8°
N5C16H13H12118.9°120.1°
C16N5C17H447.1°50.7°
C16N5C21H2061.9°58.3°
C16N5C21H19178.8°178.2°
C22C14C15C1655.3°57.6°
C22C14C15C13127.1°119.9°
C22C14C15H2114.1°119.9°
C22C14C13H2115.4°120.1°
C22C14C15F2173.8°177.6°
C22C14C13C78.2°120.0°
C22C14C13C12109.5°59.7°
C22C14C15H364.4°62.4°
C14C22C21H2064.5°60.9°
C14C22C21H19176.2°179.2°
C14C22H22H21119.0°120.1°
C16C15C14F2118.5°120.0°
C16C15C14H3119.6°120.0°
C16C15C14C13177.7°177.5°
C16C15F2H3119.6°120.1°
C15C16H13H12118.9°119.9°
C16C15C14H258.8°62.3°
C15C14C13H2118.8°120.1°
C14C15F2H3120.9°120.0°
C15C14C13C156.0°120.3°
C15C14C13C1216.3°60.0°
C14C15C16H13178.1°60.9°
C14C15C16H1258.8°179.2°
C15C14C22H22173.5°177.5°
C15C14C22H2167.2°62.3°
C13C14C15F259.2°62.5°
C14C13CCL9.5°0.0°
C14C13CC12172.4°179.7°
C14C13CC1174.5°180.0°
C14C13C12C11163.5°180.0°
C13C14C15H362.7°57.6°
C13C14C22H2256.1°62.5°
C13C14C22H2163.2°57.6°
C14C13C12H1116.5°0.0°
F2C15C16H1358.0°59.1°
F2C15C16H1261.3°60.8°
F2C15C14H259.7°57.7°
CLCC13C1176.0°180.0°
CLCC13C12162.9°179.7°
CLCC1C2177.4°180.0°
CLCC1H62.6°0.0°
CC13C12C1123.7°0.3°
C13CC1C21.4°0.0°
CC13C14H237.2°0.1°
CC13C12H11156.3°179.7°
C13CC1H6178.6°180.0°
C12C13CC113.1°0.3°
C13C12C11H11180.0°179.9°
C13C12C11C220.6°0.1°
C13C12C11N4161.1°180.0°
C12C13C14H2135.1°179.8°
CC1C2H6180.0°180.0°
CC1C2C114.8°0.3°
CC1C2C3170.9°180.0°
C12C11C2C15.9°0.3°
C12C11C2N4178.2°180.0°
C12C11C2C3177.7°179.9°
C12C11N4C4177.4°179.9°
C1C2C11C3176.4°179.7°
C1C2C11N4175.9°179.7°
C1C2C3N175.9°179.7°
C1C2C3H74.1°0.4°
C2C11N4C40.8°0.0°
C11C2C3N0.0°0.0°
C2C11C12H11159.4°180.0°
C11C2C1H6175.2°179.7°
C11C2C3H7180.0°179.9°
N4C11C2C30.4°0.0°
C11N4C4N0.8°0.0°
C11N4C4N1179.6°180.0°
N4C11C12H1118.8°0.1°
C2C3NH7180.0°180.0°
C2C3NC40.1°0.0°
C3C2C1H69.1°0.0°
N4C4NC30.3°0.0°
N4C4NN1179.7°180.0°
N4C4N1C55.4°180.0°
N4C4N1H1174.6°0.0°
N3C10C5H10180.0°180.0°
N3C10C5N1174.2°180.0°
N3C10C5C60.0°0.2°
C10N3N2C60.8°0.2°
C10N3N2C7175.0°180.0°
C5C10N3N20.5°0.0°
C10C5N1C49.9°0.3°
C10C5N1C6173.4°179.8°
C10C5C6N20.5°0.3°
C10C5C6CL1178.5°179.8°
C10C5N1H1170.1°179.7°
C3NC4N1180.0°180.0°
N3N2C6C50.8°0.3°
N3N2C7C951.6°8.6°
N3N2C6C7175.1°179.8°
N3N2C6CL1178.9°179.8°
N3N2C7C8116.3°60.0°
N2N3C10H10179.5°180.0°
N3N2C7H89.5°154.3°
NC4N1C5174.3°0.0°
C4NC3H7179.9°179.9°
NC4N1H15.7°180.0°
C4N1C5H1180.0°180.0°
C4N1C5C6163.4°180.0°
N1C5C6N2174.6°179.9°
N1C5C6CL13.4°0.0°
N1C5C10H105.8°0.0°
C5C6N2CL1178.1°179.9°
C5C6N2C7174.3°179.9°
C6C5N1H116.6°0.0°
C6C5C10H10180.0°179.8°
C7C9C8H8110.2°107.5°
C7C9C8H9110.2°107.5°
C9C7N2C6133.7°171.1°
C9C7N2C864.7°68.6°
C9C7N2H141.2°145.7°
C9C7C8F110.6°107.5°
C9C7C8H106.5°107.5°
C7C9C8F1109.1°107.5°
C7C9H8H9143.2°145.6°
C9C8FF1146.1°145.7°
C8C9H8H9143.3°145.7°
C6N2C7C868.9°120.3°
C6N2C7H85.2°25.4°
C7N2C6CL13.9°0.0°
N2C7C8F11.5°0.0°
N2C7C8H154.4°145.0°
N2C7C8F1150.9°145.1°
N2C7C9H83.3°0.0°
N2C7C9H9136.3°145.0°
FC8C7F1139.5°145.1°
FC8C7H142.9°145.0°
FC8C9H81.7°0.0°
FC8C9H9141.2°145.0°
F1C8C7H3.5°0.1°
F1C8C9H8140.7°145.0°
F1C8C9H91.1°0.0°
H3C15C16H1362.4°179.2°
H3C15C16H12178.3°59.2°
H3C15C14H2178.4°177.7°
H4C17C20H539.8°0.1°
H4C17C18H1532.0°146.5°
H4C17C18H14153.0°24.2°
H5C20O1H1856.7°57.4°
H5C20C19H1787.4°24.1°
H5C20C19H1633.8°146.3°
H20C21C22H2255.8°59.0°
H20C21C22H21175.1°179.2°
H19C21C22H2263.5°60.9°
H19C21C22H2155.8°59.3°
H22C22C14H259.4°57.6°
H21C22C14H2178.7°177.8°
HC7C9H8144.6°145.0°
HC7C9H95.0°0.0°

222415

PDB entries from 2024-07-10

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