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RT9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C11doub1.36Å1.37ÅAromatic
C10C9sing1.40Å1.42ÅAromatic
C11C12sing1.39Å1.39ÅAromatic
C8C9doub1.40Å1.42ÅAromatic
C8N2sing1.31Å1.33ÅAromatic
C9C14sing1.42Å1.43ÅAromatic
C12C13doub1.36Å1.37ÅAromatic
N2C7doub1.32Å1.34ÅAromatic
C14C13sing1.40Å1.42ÅAromatic
C14C6doub1.41Å1.43ÅAromatic
C7C6sing1.38Å1.40ÅAromatic
C6N1sing1.40Å1.41Å
N1C5sing1.35Å1.35Å
C5C4sing1.51Å1.53Å
C5O3doub1.21Å1.23Å
O1Sdoub1.42Å1.43Å
C4C3sing1.53Å1.53Å
C4C15sing1.51Å1.52Å
C3Nsing1.46Å1.48Å
C22C23sing1.53Å1.51Å
C22C1sing1.53Å1.49Å
C23C1sing1.53Å1.49Å
SC2sing1.81Å1.78Å
SNsing1.66Å1.65Å
SO2doub1.42Å1.43Å
C2C1sing1.53Å1.54Å
C1Osing1.43Å1.44Å
NC21sing1.35Å1.40Å
C15C16doub1.38Å1.40ÅAromatic
C15C20sing1.40Å1.40ÅAromatic
C16C17sing1.39Å1.38ÅAromatic
C20C21sing1.48Å1.47Å
C20C19doub1.39Å1.40ÅAromatic
C21O4doub1.22Å1.22Å
C17CLsing1.74Å1.74Å
C17C18doub1.38Å1.38ÅAromatic
OCsing1.43Å1.44Å
C19C18sing1.38Å1.38ÅAromatic
N1H1sing0.97Å1.00Å
C4H2sing1.09Å1.10Å
C7H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C13H6sing1.08Å1.08Å
C22H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C2H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C23H11sing1.09Å1.10Å
C23H12sing1.09Å1.10Å
CH13sing1.09Å1.10Å
CH14sing1.09Å1.10Å
CH15sing1.09Å1.10Å
C19H16sing1.08Å1.08Å
C18H17sing1.08Å1.08Å
C16H18sing1.08Å1.08Å
C3H19sing1.09Å1.10Å
C3H20sing1.09Å1.10Å
C12H21sing1.08Å1.08Å
C11H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C10C9120.6°119.5°
C10C11C12120.6°121.1°
C11C10H5119.7°120.3°
C10C11H22119.7°119.4°
C10C9C8123.2°122.0°
C10C9C14119.1°119.3°
C9C10H5119.7°120.2°
C11C12C13120.7°121.0°
C11C12H21119.6°119.6°
C12C11H22119.7°119.5°
C9C8N2124.1°120.2°
C8C9C14117.7°118.7°
C9C8H4117.9°119.9°
C8N2C7117.6°122.9°
N2C8H4118.0°119.9°
C9C14C13118.1°119.6°
C9C14C6118.1°118.2°
C12C13C14120.9°119.5°
C12C13H6119.5°120.2°
C13C12H21119.7°119.4°
N2C7C6125.1°121.6°
N2C7H3117.4°119.2°
C13C14C6123.8°122.2°
C14C13H6119.6°120.3°
C14C6C7117.3°118.4°
C14C6N1118.2°120.8°
C7C6N1123.7°120.8°
C6C7H3117.4°119.2°
C6N1C5126.7°120.0°
C6N1H1116.7°120.0°
N1C5C4115.0°120.0°
N1C5O3122.8°120.0°
C5N1H1116.6°120.0°
C4C5O3122.1°120.0°
C5C4C3108.6°109.3°
C5C4C15108.8°109.4°
C5C4H2109.7°109.2°
O1SC2108.6°110.6°
O1SN106.8°104.3°
O1SO2118.8°121.1°
C3C4C15110.2°110.2°
C4C3N109.5°111.0°
C3C4H2109.7°109.3°
C4C3H19109.4°109.2°
C4C3H20109.4°109.2°
C4C15C16120.2°120.6°
C4C15C20120.8°119.5°
C15C4H2109.9°109.4°
C3NS116.6°119.5°
C3NC21122.5°121.0°
NC3H19109.5°109.2°
NC3H20109.5°109.2°
C23C22C159.6°60.0°
C22C23C159.5°60.0°
C23C22H7120.1°117.5°
C23C22H8120.1°117.5°
C22C23H11120.1°117.6°
C22C23H12120.1°117.5°
C22C1C2360.9°60.0°
C22C1C2121.1°117.5°
C22C1O119.1°117.5°
C1C22H7120.0°117.5°
C1C22H8120.1°117.5°
C23C1C2122.2°117.5°
C23C1O114.6°117.5°
C1C23H11120.1°117.5°
C1C23H12120.1°117.5°
C2SN105.2°104.4°
C2SO2108.3°110.5°
SC2C1115.7°109.4°
SC2H9107.9°109.5°
SC2H10107.9°109.4°
NSO2108.3°104.3°
SNC21120.8°119.5°
C2C1O110.8°115.5°
C1C2H9107.9°109.5°
C1C2H10107.9°109.5°
C1OC119.2°114.0°
NC21C20115.6°119.3°
NC21O4121.4°120.4°
C16C15C20119.0°119.8°
C15C16C17119.6°120.0°
C15C16H18120.2°120.0°
C15C20C21120.9°119.1°
C15C20C19119.9°120.0°
C16C17CL119.1°119.8°
C16C17C18121.8°120.3°
C17C16H18120.2°120.0°
C21C20C19118.9°120.9°
C20C21O4122.6°120.4°
C20C19C18120.6°119.6°
C20C19H16119.7°120.2°
CLC17C18119.1°119.9°
C17C18C19119.1°120.2°
C17C18H17120.5°119.9°
OCH13109.5°109.5°
OCH14109.5°109.4°
OCH15109.5°109.5°
C18C19H16119.7°120.2°
C19C18H17120.5°119.9°
H7C22H8109.5°115.6°
H9C2H10109.4°109.5°
H11C23H12109.5°115.6°
H13CH14109.5°109.4°
H13CH15109.5°109.5°
H14CH15109.5°109.4°
H19C3H20109.5°109.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C10C9H5180.0°179.9°
C10C11C12H22180.0°179.9°
C11C10C9C8177.9°180.0°
C11C10C9C141.3°0.3°
C10C11C12C130.6°0.2°
C10C11C12H21179.5°180.0°
C9C10C11C120.5°0.0°
C10C9C8C14179.2°179.7°
C10C9C8N2179.1°180.0°
C10C9C14C131.2°0.3°
C10C9C14C6178.6°179.7°
C10C9C8H41.0°0.1°
C9C10C11H22179.6°180.0°
C11C12C13H21180.0°179.8°
C11C12C13C140.7°0.3°
C12C11C10H5179.5°180.0°
C11C12C13H6179.3°179.8°
C9C8N2H4180.0°179.9°
C9C8N2C71.1°0.2°
C8C9C14C13178.1°180.0°
C8C9C14C62.1°0.0°
C8C9C10H52.1°0.0°
N2C8C9C140.2°0.2°
C8N2C7C60.3°0.0°
C8N2C7H3179.7°180.0°
C9C14C13C120.2°0.0°
C9C14C13C6179.8°180.0°
C9C14C6C73.4°0.3°
C9C14C6N1166.5°180.0°
C14C9C8H4179.8°179.8°
C14C9C10H5178.7°179.8°
C9C14C13H6179.8°180.0°
C12C13C14H6180.0°180.0°
C12C13C14C6179.6°180.0°
C13C12C11H22179.4°179.7°
N2C7C6C142.6°0.3°
N2C7C6H3180.0°179.9°
N2C7C6N1166.7°180.0°
C7N2C8H4178.9°179.8°
C13C14C6C7176.9°179.7°
C13C14C6N113.2°0.0°
C14C13C12H21179.3°180.0°
C14C6C7N1169.3°179.7°
C14C6N1C588.1°161.8°
C14C6N1H191.9°18.0°
C14C6C7H3177.4°179.8°
C6C14C13H60.4°0.0°
C7C6N1C581.1°17.9°
C7C6N1H198.9°162.3°
C6N1C5H1180.0°179.8°
C6N1C5C4175.0°174.5°
C6N1C5O31.7°5.5°
N1C6C7H313.3°0.1°
N1C5C4O3176.7°180.0°
N1C5C4C390.7°180.0°
N1C5C4C15149.3°59.3°
N1C5C4H229.2°60.4°
C5C4C3C15119.0°120.2°
C5C4C3H2119.8°119.5°
C5C4C15H2120.0°119.6°
C5C4C3N69.7°69.7°
C5C4C15C1687.3°92.5°
C5C4C15C2089.8°87.3°
C4C5N1H15.1°5.7°
C5C4C3H1950.4°50.7°
C5C4C3H20170.3°169.9°
O3C5C4C386.0°0.0°
O3C5C4C1534.0°120.7°
O3C5N1H1178.3°174.3°
O3C5C4H2154.2°119.6°
O1SNC37.8°26.0°
O1SC2N114.0°111.6°
O1SC2O2130.3°136.8°
O1SNO2129.1°127.9°
O1SC2C181.1°77.3°
O1SNC21174.9°153.9°
O1SC2H9158.0°162.7°
O1SC2H1039.8°42.6°
C3C4C15H2121.0°120.2°
C4C3NH19120.0°120.4°
C4C3NH20120.0°120.4°
C4C3NS132.0°139.6°
C4C3NC2145.2°40.5°
C3C4C15C16153.8°147.3°
C3C4C15C2029.1°32.8°
C4C3H19H20119.9°119.3°
C15C4C3N49.4°50.5°
C4C15C16C20177.2°179.9°
C4C15C16C17176.4°179.5°
C4C15C20C212.5°1.3°
C4C15C20C19175.8°179.1°
C4C15C16H183.6°0.6°
C15C4C3H19169.4°170.9°
C15C4C3H2070.7°69.8°
C3NSC2107.6°90.0°
C3NSC21177.3°179.9°
C3NSO2136.8°153.9°
C3NC21C2013.8°8.1°
C3NC21O4173.2°172.0°
NC3C4H2170.5°170.8°
NC3H19H20120.0°119.2°
C23C22C1H7109.4°107.5°
C23C22C1H8109.3°107.5°
C22C23C1H11109.3°107.6°
C22C23C1H12109.3°107.5°
C22C23C1C2110.3°107.5°
C23C22C1O103.7°107.5°
C23C22H7H8145.0°145.7°
C22C23H11H12145.0°145.8°
C22C1C2S69.8°55.6°
C22C1C2O146.8°145.7°
C22C1OC127.1°174.7°
C1C22H7H8145.0°145.7°
C22C1C2H9169.3°175.7°
C22C1C2H1051.1°64.3°
C23C1C2S142.9°124.2°
C23C1C2O140.1°145.7°
C23C1OC58.0°106.1°
C23C1C2H996.2°115.7°
C23C1C2H1022.0°4.3°
C1C23H11H12145.0°145.6°
C2SNO2115.6°116.0°
SC2C1H9120.9°120.0°
SC2C1H10120.9°119.9°
SC2C1O77.0°90.1°
C2SNC2169.7°90.0°
SC2H9H10117.2°120.0°
NSC2C1164.8°171.1°
SNC21C20163.3°172.0°
SNC21O49.7°7.9°
NSC2H943.9°51.0°
NSC2H1074.2°69.0°
SNC3H1912.0°19.2°
SNC3H20108.0°100.0°
O2SC2C149.2°59.5°
O2SNC2145.9°26.0°
O2SC2H971.7°60.6°
O2SC2H10170.1°179.4°
C2C1OC85.4°39.6°
C2C1C22H7138.5°0.0°
C2C1C22H82.8°145.0°
C1C2H9H10117.2°120.0°
C2C1C23H111.0°0.0°
C2C1C23H12140.3°145.0°
OC1C22H75.7°145.0°
OC1C22H8147.0°0.0°
OC1C2H943.9°30.0°
OC1C2H10162.1°150.0°
OC1C23H11139.7°145.0°
OC1C23H121.6°0.1°
C1OCH13180.0°172.7°
C1OCH1460.0°67.4°
C1OCH1560.0°52.6°
NC21C20C1511.7°13.1°
NC21C20O4172.9°179.9°
NC21C20C19174.9°166.5°
C21NC3H19165.2°160.9°
C21NC3H2074.8°79.9°
C15C16C17H18180.0°179.9°
C16C15C20C21174.7°178.9°
C16C15C20C191.3°0.7°
C15C16C17CL179.4°179.9°
C15C16C17C180.1°0.1°
C16C15C4H232.8°27.1°
C20C15C16C170.8°0.4°
C15C20C21C19173.4°179.6°
C15C20C21O4161.2°166.8°
C15C20C19C181.0°0.6°
C20C15C4H2150.1°153.0°
C15C20C19H16179.0°179.4°
C20C15C16H18179.2°179.5°
C16C17CLC18179.3°180.0°
C16C17C18C190.4°0.3°
C16C17C18H17179.6°179.7°
C21C20C19C18174.5°179.0°
C21C20C19H165.5°0.9°
C19C20C21O412.2°13.6°
C20C19C18C170.1°0.1°
C20C19C18H16180.0°180.0°
C20C19C18H17179.9°180.0°
CLC17C18C19179.7°179.7°
CLC17C18H170.2°0.4°
CLC17C16H180.6°0.0°
C17C18C19H17180.0°179.9°
C17C18C19H16179.9°179.9°
C18C17C16H18179.9°180.0°
OCH13H14120.0°120.0°
OCH13H15120.0°120.1°
OCH14H15120.0°120.0°
H2C4C3H1969.5°68.9°
H2C4C3H2050.5°50.4°
H5C10C11H220.4°0.1°
H6C13C12H210.6°0.0°
H7C22C23H11141.3°0.0°
H7C22C23H120.0°145.1°
H8C22C23H110.0°145.1°
H8C22C23H12141.3°0.0°
H13CH14H15120.0°120.0°
H16C19C18H170.1°0.0°
H21C12C11H220.6°0.1°

222036

PDB entries from 2024-07-03

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