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OCU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OSdoub1.42Å1.43Å
NSsing1.66Å1.65Å
NCsing1.47Å1.48Å
CC1sing1.53Å1.52Å
C1N1sing1.47Å1.47Å
S1N1sing1.66Å1.65Å
O1S1doub1.42Å1.43Å
C2S1sing1.76Å1.76Å
C2C3doub1.38Å1.39ÅAromatic
C3C4sing1.39Å1.40ÅAromatic
N2C4sing1.40Å1.38Å
C4C5doub1.39Å1.40ÅAromatic
C5C6sing1.38Å1.39ÅAromatic
C6C7doub1.38Å1.39ÅAromatic
C7C2sing1.38Å1.39ÅAromatic
O2S1doub1.42Å1.43Å
N1C8sing1.47Å1.48Å
C8C9sing1.53Å1.53Å
C9Nsing1.47Å1.48Å
C10Ssing1.76Å1.78Å
C10C11doub1.38Å1.39ÅAromatic
C11C12sing1.39Å1.38ÅAromatic
O3C12sing1.36Å1.36Å
C12C13doub1.39Å1.40ÅAromatic
O4C13sing1.36Å1.36Å
C13C14sing1.38Å1.38ÅAromatic
C14C15doub1.39Å1.40ÅAromatic
C15C10sing1.39Å1.42ÅAromatic
C16C15sing1.48Å1.50Å
C16C17doub1.39Å1.40ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
O5C18sing1.36Å1.36Å
C18C19doub1.39Å1.40ÅAromatic
O6C19sing1.36Å1.36Å
C19C20sing1.39Å1.38ÅAromatic
C20C21doub1.38Å1.38ÅAromatic
C21C16sing1.39Å1.39ÅAromatic
SO7doub1.42Å1.43Å
C5H7sing1.08Å1.08Å
C6H8sing1.08Å1.08Å
C7H9sing1.08Å1.08Å
C8H10sing1.09Å1.10Å
C8H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C11H14sing1.08Å1.08Å
C14H17sing1.08Å1.08Å
C3H4sing1.08Å1.08Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
CHsing1.09Å1.10Å
CH1sing1.09Å1.10Å
C21H22sing1.08Å1.08Å
C20H21sing1.08Å1.08Å
O6H20sing0.97Å0.95Å
O5H19sing0.97Å0.95Å
C17H18sing1.08Å1.08Å
O4H16sing0.97Å0.95Å
O3H15sing0.97Å0.95Å
N2H5sing0.97Å1.00Å
N2H6sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OSN106.9°106.4°
OSC10109.0°106.4°
OSO7119.2°123.1°
SNC118.3°120.6°
SNC9118.9°120.6°
NSC10109.3°107.2°
NSO7106.6°106.4°
NCC1109.0°108.7°
CNC9111.8°118.8°
NCH109.6°109.6°
NCH1109.6°109.6°
CC1N1108.9°108.6°
CC1H2109.6°109.6°
CC1H3109.6°109.8°
C1CH109.6°109.6°
C1CH1109.6°109.6°
C1N1S1118.6°120.6°
C1N1C8111.7°118.8°
N1C1H2109.6°109.6°
N1C1H3109.6°109.6°
N1S1O1106.7°106.4°
N1S1C2108.1°107.2°
N1S1O2106.4°106.4°
S1N1C8117.7°120.6°
O1S1C2107.8°106.4°
O1S1O2119.6°123.1°
S1C2C3119.2°120.0°
S1C2C7119.9°120.0°
C2S1O2107.8°106.4°
C2C3C4120.2°120.0°
C3C2C7120.9°120.0°
C2C3H4119.9°120.0°
C3C4N2120.5°120.0°
C3C4C5118.8°119.8°
C4C3H4119.9°120.0°
N2C4C5120.7°120.1°
C4N2H5109.5°120.0°
C4N2H6109.4°120.0°
C4C5C6120.4°119.9°
C4C5H7119.8°120.1°
C5C6C7120.7°120.1°
C6C5H7119.8°120.0°
C5C6H8119.7°119.9°
C6C7C2119.0°120.2°
C7C6H8119.7°120.0°
C6C7H9120.5°119.9°
C2C7H9120.5°119.9°
N1C8C9109.7°108.6°
N1C8H10109.4°109.6°
N1C8H11109.4°109.7°
C8C9N109.6°108.7°
C9C8H10109.5°109.6°
C9C8H11109.4°109.6°
C8C9H12109.4°109.6°
C8C9H13109.4°109.6°
NC9H12109.4°109.5°
NC9H13109.4°109.6°
SC10C11116.0°120.0°
SC10C15123.8°120.0°
C10SO7105.6°106.4°
C10C11C12120.8°120.1°
C11C10C15120.2°120.0°
C10C11H14119.6°119.9°
C11C12O3118.7°120.0°
C11C12C13119.8°120.1°
C12C11H14119.6°120.0°
O3C12C13121.5°119.9°
C12O3H15109.5°114.0°
C12C13O4120.2°120.0°
C12C13C14119.7°119.9°
O4C13C14120.1°120.0°
C13O4H16109.5°114.0°
C13C14C15121.7°119.9°
C13C14H17119.1°120.0°
C14C15C10117.7°119.9°
C14C15C16115.7°120.0°
C15C14H17119.2°120.1°
C10C15C16125.9°120.0°
C15C16C17120.2°120.1°
C15C16C21121.6°120.0°
C16C17C18120.8°119.9°
C17C16C21118.0°119.9°
C16C17H18119.6°120.1°
C17C18O5119.2°120.0°
C17C18C19119.9°120.0°
C18C17H18119.6°120.1°
O5C18C19120.8°120.0°
C18O5H19109.5°114.0°
C18C19O6120.5°119.9°
C18C19C20119.4°120.1°
O6C19C20120.1°120.0°
C19O6H20109.5°114.0°
C19C20C21120.0°120.2°
C19C20H21120.0°119.9°
C20C21C16121.4°120.0°
C20C21H22119.3°120.0°
C21C20H21120.0°119.9°
C16C21H22119.3°120.0°
H10C8H11109.5°109.7°
H12C9H13109.5°109.7°
H2C1H3109.5°109.6°
HCH1109.4°109.7°
H5N2H6109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OSNC10117.8°113.5°
OSNO7128.6°132.9°
OSNC158.9°18.1°
OSNC960.0°161.9°
OSC10O7129.2°132.9°
OSC10C11151.0°99.4°
OSC10C1526.5°80.8°
SNCC9143.6°180.0°
SNCC1156.7°124.8°
SNC9C8158.9°124.8°
NSC10O7114.3°113.5°
NSC10C1192.4°14.1°
NSC10C1590.0°165.6°
SNC9H1281.1°5.0°
SNC9H1338.9°115.4°
SNCH83.4°5.0°
SNCH136.7°115.5°
NCC1H119.9°119.8°
NCC1H1120.0°119.8°
NCC1N159.2°49.4°
CNC9C857.7°55.2°
CNSC1083.3°95.4°
CNSO730.4°151.0°
CNC9H1262.3°174.9°
CNC9H13177.7°64.6°
NCC1H2179.1°169.2°
NCC1H360.7°70.4°
NCHH1120.2°120.4°
CC1N1H2119.9°119.7°
CC1N1H3119.9°120.0°
CC1N1S1158.3°124.5°
CC1N1C859.9°55.2°
C1CNC959.7°55.2°
CC1H2H3120.2°120.5°
C1CHH1120.2°120.4°
C1N1S1C8139.5°179.7°
C1N1S1O141.5°156.2°
C1N1S1C274.2°90.3°
C1N1S1O2170.2°23.3°
C1N1C8C958.0°55.2°
C1N1C8H10178.1°64.5°
C1N1C8H1162.0°175.0°
N1C1H2H3120.3°120.3°
N1C1CH60.7°169.2°
N1C1CH1179.2°70.3°
N1S1O1C2115.9°114.1°
N1S1O1O2120.6°122.9°
N1S1C2O2114.6°113.6°
N1S1C2C389.7°90.0°
N1S1C2C792.6°90.0°
S1N1C8C9159.8°124.5°
S1N1C8H1039.8°115.7°
S1N1C8H1180.1°4.8°
S1N1C1H238.4°4.8°
S1N1C1H381.8°115.5°
O1S1C2O2130.4°132.9°
O1S1C2C3155.3°23.5°
O1S1C2C722.4°156.5°
O1S1N1C8179.0°23.6°
S1C2C3C7177.7°180.0°
S1C2C3C4177.7°180.0°
S1C2C7C6177.7°180.0°
C2S1N1C865.3°90.0°
S1C2C7H92.3°0.0°
S1C2C3H42.3°0.0°
C2C3C4H4180.0°180.0°
C2C3C4N2179.8°179.8°
C2C3C4C50.2°0.0°
C3C2C7C60.0°0.0°
C3C2S1O224.9°156.4°
C3C2C7H9180.0°179.9°
C3C4N2C5179.7°179.8°
C3C4C5C60.3°0.0°
C4C3C2C70.0°0.0°
C3C4C5H7179.7°179.9°
C3C4N2H5180.0°179.8°
C3C4N2H660.0°0.3°
N2C4C5C6180.0°179.8°
N2C4C5H70.0°0.3°
N2C4C3H40.1°0.2°
C4N2H5H6120.0°180.0°
C4C5C6H7180.0°179.9°
C4C5C6C70.3°0.0°
C4C5C6H8179.7°180.0°
C5C4C3H4179.8°180.0°
C5C4N2H50.3°0.0°
C5C4N2H6119.7°180.0°
C5C6C7H8180.0°180.0°
C5C6C7C20.1°0.0°
C5C6C7H9179.9°180.0°
C6C7C2H9180.0°179.9°
C7C6C5H7179.7°180.0°
C7C2S1O2152.8°23.6°
C2C7C6H8179.9°180.0°
C7C2C3H4180.0°180.0°
O2S1N1C850.2°156.4°
N1C8C9H10120.0°119.7°
N1C8C9H11120.0°119.8°
N1C8C9N55.5°49.4°
N1C8H10H11119.9°120.5°
N1C8C9H1264.5°169.1°
N1C8C9H13175.6°70.4°
C8N1C1H2179.8°175.0°
C8N1C1H360.0°64.7°
C8C9NH12120.0°119.8°
C8C9NH13120.0°119.8°
C9C8H10H11119.9°120.4°
C8C9H12H13119.9°120.5°
C9NSC1057.8°84.6°
C9NSO7171.4°29.0°
NC9C8H10175.6°70.3°
NC9C8H1164.5°169.2°
NC9H12H13119.9°120.4°
C9NCH60.3°175.0°
C9NCH1179.7°64.6°
SC10C11C15177.7°179.7°
SC10C11C12176.6°180.0°
SC10C15C14173.6°179.8°
SC10C15C1616.8°0.3°
SC10C11H143.3°0.0°
C10C11C12H14180.0°179.9°
C10C11C12O3178.5°180.0°
C10C11C12C131.3°0.0°
C11C10C15C143.9°0.5°
C11C10C15C16165.7°180.0°
C11C10SO721.9°127.7°
C11C12O3C13179.7°180.0°
C11C12C13O4179.0°180.0°
C11C12C13C140.5°0.0°
C12C11C10C151.0°0.2°
C11C12O3H15180.0°90.0°
O3C12C13O40.8°0.0°
O3C12C13C14179.2°180.0°
O3C12C11H141.5°0.0°
C12C13O4C14178.4°180.0°
C12C13C14C152.5°0.3°
C13C12C11H14178.7°180.0°
C12C13C14H17177.5°180.0°
C12C13O4H16180.0°90.0°
C13C12O3H150.3°90.1°
O4C13C14C15175.9°179.7°
O4C13C14H174.1°0.0°
C13C14C15H17180.0°179.7°
C13C14C15C104.7°0.5°
C13C14C15C16166.0°180.0°
C14C13O4H161.6°90.0°
C14C15C10C16169.6°179.5°
C14C15C16C1752.8°56.4°
C14C15C16C21132.7°123.8°
C10C15C16C17117.0°124.1°
C10C15C16C2157.5°55.7°
C15C10SO7155.7°52.1°
C15C10C11H14179.0°179.7°
C10C15C14H17175.3°179.8°
C15C16C17C21174.7°179.8°
C15C16C17C18169.6°179.7°
C15C16C21C20168.6°180.0°
C16C15C14H1714.0°0.2°
C15C16C21H2211.3°0.0°
C15C16C17H1810.3°0.0°
C16C17C18H18180.0°179.7°
C16C17C18O5177.1°179.8°
C16C17C18C190.3°0.6°
C17C16C21C206.0°0.2°
C17C16C21H22174.1°179.7°
C17C18O5C19177.4°179.7°
C17C18C19O6171.4°179.7°
C17C18C19C204.9°0.3°
C18C17C16C215.0°0.5°
C17C18O5H19180.0°89.7°
O5C18C19O611.3°0.0°
O5C18C19C20172.5°180.0°
O5C18C17H182.9°0.0°
C18C19O6C20176.2°180.0°
C18C19C20C214.0°0.0°
C18C19C20H21176.0°180.0°
C18C19O6H20180.0°90.0°
C19C18O5H192.7°90.0°
C19C18C17H18179.7°179.7°
O6C19C20C21172.2°180.0°
O6C19C20H217.8°0.0°
C19C20C21H21180.0°180.0°
C19C20C21C161.5°0.0°
C19C20C21H22178.6°180.0°
C20C19O6H203.8°90.0°
C20C21C16H22180.0°180.0°
C16C21C20H21178.5°180.0°
C21C16C17H18175.0°179.7°
H7C5C6H80.3°0.1°
H8C6C7H90.2°0.1°
H10C8C9H1255.5°49.4°
H10C8C9H1364.4°169.9°
H11C8C9H12175.5°71.1°
H11C8C9H1355.5°49.4°
H2C1CH59.2°71.1°
H2C1CH160.9°49.4°
H3C1CH179.4°49.4°
H3C1CH159.3°169.8°
H22C21C20H211.4°0.0°

225946

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