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0BF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C06sing1.53Å1.53Å
C01N02sing1.47Å1.50Å
C03C04sing1.53Å1.52Å
C03N02sing1.47Å1.50Å
C04C05sing1.52Å1.49Å
C05C06sing1.52Å1.48Å
C05N10sing1.46Å1.62Å
C05S07sing1.83Å1.57Å
C08C09sing1.52Å1.69Å
C08S07sing1.84Å1.70Å
C09N10sing1.33Å1.49Å
C09O14doub1.21Å1.17Å
C11C12sing1.51Å1.53Å
C11N02sing1.35Å1.45Å
C11O13doub1.21Å1.19Å
C15C16sing1.51Å1.51Å
C15N10sing1.47Å1.46Å
C16C20doub1.35Å1.38ÅAromatic
C16O17sing1.34Å1.36ÅAromatic
C18C19doub1.36Å1.39ÅAromatic
C18C21sing1.47Å1.51Å
C18O17sing1.35Å1.35ÅAromatic
C19C20sing1.41Å1.37ÅAromatic
C21C22doub1.39Å1.52ÅAromatic
C21C26sing1.46Å1.53ÅAromatic
C22C23sing1.39Å1.53ÅAromatic
C23C24doub1.36Å1.53ÅAromatic
C24C25sing1.41Å1.54ÅAromatic
C25C26doub1.42Å1.50ÅAromatic
C25C27sing1.41Å1.55ÅAromatic
C26C30sing1.40Å1.55ÅAromatic
C27C28doub1.36Å1.52ÅAromatic
C28C29sing1.39Å1.53ÅAromatic
C29C30doub1.36Å1.53ÅAromatic
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C03H3sing1.09Å1.10Å
C03H4sing1.09Å1.10Å
C04H5sing1.09Å1.10Å
C06H6sing1.09Å1.10Å
C08H7sing1.09Å1.10Å
C08H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12CLsing1.80Å1.07Å
C15H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C19H14sing1.08Å1.08Å
C20H15sing1.08Å1.08Å
C22H16sing1.08Å1.08Å
C23H17sing1.08Å1.08Å
C24H18sing1.08Å1.08Å
C27H19sing1.08Å1.08Å
C28H20sing1.08Å1.08Å
C29H21sing1.08Å1.08Å
C30H22sing1.08Å1.08Å
C04H23sing1.09Å1.10Å
C06H24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C06C01N02114.2°108.7°
C01C06C05115.3°109.4°
C06C01H1108.3°109.6°
C06C01H2108.3°109.6°
C01C06H6108.0°109.4°
C01C06H24108.0°109.5°
C01N02C03111.5°118.9°
C01N02C11125.7°120.6°
N02C01H1108.3°109.5°
N02C01H2108.3°109.6°
C04C03N02114.9°108.7°
C03C04C05117.9°109.4°
C04C03H3108.1°109.5°
C04C03H4108.1°109.6°
C03C04H5107.4°109.5°
C03C04H23107.3°109.4°
C03N02C11122.9°120.5°
N02C03H3108.1°109.7°
N02C03H4108.1°109.6°
C04C05C06115.4°111.2°
C04C05N10106.5°111.2°
C04C05S07102.6°109.7°
C05C04H5107.3°109.5°
C05C04H23107.3°109.5°
C06C05N10121.7°111.2°
C06C05S0797.5°109.7°
C05C06H6108.0°109.5°
C05C06H24108.0°109.5°
N10C05S07111.2°103.6°
C05N10C09109.4°117.8°
C05N10C15124.7°121.0°
C05S07C08103.6°94.0°
C09C08S07105.9°102.2°
C08C09N10108.5°116.3°
C08C09O14130.2°121.8°
C09C08H7110.4°110.9°
C09C08H8110.4°110.8°
S07C08H7110.3°110.8°
S07C08H8110.4°110.9°
N10C09O14121.3°121.8°
C09N10C15125.8°121.1°
C12C11N02120.4°120.0°
C12C11O13120.4°120.1°
C11C12H9109.5°109.5°
C11C12H10109.5°109.5°
C11C12CL109.2°109.5°
N02C11O13119.3°120.0°
C16C15N10106.4°109.4°
C15C16C20128.8°125.6°
C15C16O17122.2°125.7°
C16C15H12110.2°109.5°
C16C15H13110.2°109.5°
N10C15H12110.2°109.4°
N10C15H13110.2°109.5°
C20C16O17108.9°108.7°
C16C20C19107.7°107.0°
C16C20H15126.2°126.5°
C16O17C18107.2°109.4°
C19C18C21131.3°125.9°
C19C18O17109.7°108.1°
C18C19C20106.4°106.7°
C18C19H14126.8°126.7°
C21C18O17118.9°125.9°
C18C21C22116.8°120.7°
C18C21C26122.7°120.7°
C20C19H14126.8°126.6°
C19C20H15126.2°126.4°
C22C21C26120.4°118.6°
C21C22C23119.7°120.6°
C21C22H16120.1°119.7°
C21C26C25119.5°118.8°
C21C26C30120.1°121.5°
C22C23C24120.0°121.8°
C23C22H16120.1°119.7°
C22C23H17120.0°119.1°
C23C24C25119.2°120.7°
C24C23H17120.0°119.1°
C23C24H18120.4°119.6°
C24C25C26121.1°119.5°
C24C25C27118.3°121.3°
C25C24H18120.4°119.7°
C26C25C27120.6°119.2°
C25C26C30120.4°119.6°
C25C27C28119.1°119.6°
C25C27H19120.4°120.2°
C26C30C29118.9°119.6°
C26C30H22120.5°120.2°
C27C28C29120.5°121.0°
C28C27H19120.4°120.2°
C27C28H20119.8°119.4°
C28C29C30120.4°120.9°
C29C28H20119.8°119.5°
C28C29H21119.8°119.6°
C30C29H21119.8°119.5°
C29C30H22120.5°120.2°
H1C01H2109.5°109.7°
H3C03H4109.5°109.7°
H5C04H23109.4°109.5°
H6C06H24109.5°109.5°
H7C08H8109.4°110.9°
H9C12H10109.4°109.5°
H9C12CL109.5°109.5°
H10C12CL109.5°109.4°
H12C15H13109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C06C01N02H1120.7°119.8°
C06C01N02H2120.7°119.8°
C06C01N02C0351.4°54.2°
C01C06C05C0437.3°59.7°
C01C06C05H6120.9°119.9°
C01C06C05H24120.8°120.0°
C01C06C05N10168.8°64.8°
C01C06C05S0770.5°178.7°
C06C01N02C11130.0°125.8°
C06C01H1H2117.8°120.4°
C01C06H6H24117.3°120.0°
C01N02C03C0447.1°54.2°
C01N02C03C11178.6°180.0°
N02C01C06C0547.4°53.5°
C01N02C11C120.6°179.9°
C01N02C11O13179.7°0.0°
N02C01H1H2117.9°120.4°
C01N02C03H373.7°174.0°
C01N02C03H4167.9°65.5°
N02C01C06H6168.2°66.4°
N02C01C06H2473.5°173.5°
C04C03N02H3120.8°119.7°
C04C03N02H4120.8°119.7°
C03C04C05H5121.2°120.0°
C03C04C05H23121.2°119.9°
C03C04C05C0633.8°59.7°
C03C04C05N10172.1°64.8°
C03C04C05S0770.9°178.7°
C04C03N02C11134.3°125.8°
C04C03H3H4117.5°120.3°
C03C04H5H23116.2°120.0°
N02C03C04C0539.4°53.5°
C03N02C11C12177.8°0.1°
C03N02C11O131.3°180.0°
C03N02C01H1172.1°65.5°
C03N02C01H269.3°174.0°
N02C03H3H4117.6°120.4°
N02C03C04H581.9°173.5°
N02C03C04H23160.6°66.5°
C04C05C06N10131.4°124.5°
C04C05C06S07107.9°121.6°
C04C05N10S07111.1°117.7°
C04C05S07C08101.9°97.1°
C04C05N10C09101.6°101.4°
C04C05N10C1575.2°78.6°
C05C04C03H381.4°173.3°
C05C04C03H4160.1°66.2°
C05C04H5H23116.2°120.1°
C04C05C06H6158.2°60.2°
C04C05C06H2483.5°179.7°
C06C05N10S07113.9°117.8°
C06C05S07C08139.9°140.4°
C06C05N10C09123.4°134.1°
C06C05N10C1559.9°45.9°
C05C06C01H1168.1°66.2°
C05C06C01H273.3°173.3°
C06C05C04H587.4°179.6°
C05C06H6H24117.4°120.0°
C06C05C04H23155.1°60.3°
C05N10C09C082.6°0.0°
N10C05S07C0811.6°21.6°
C05N10C09C15176.7°180.0°
C05N10C09O14179.3°180.0°
C05N10C15C1697.9°99.0°
N10C05C04H550.9°55.2°
N10C05C06H670.4°175.3°
C05N10C15H12142.6°141.0°
C05N10C15H1321.7°20.9°
N10C05C04H2366.7°175.3°
N10C05C06H2447.9°55.2°
C05S07C08C099.7°21.2°
S07C05N10C099.5°16.3°
S07C05N10C15173.7°163.7°
S07C05C04H5167.8°58.8°
S07C05C06H650.4°61.3°
C05S07C08H7129.1°139.4°
C05S07C08H8109.8°97.0°
S07C05C04H2350.3°61.3°
S07C05C06H24168.7°58.7°
C09C08S07H7119.5°118.2°
C09C08S07H8119.5°118.2°
C08C09N10O14178.2°180.0°
C08C09N10C15179.3°180.0°
C09C08H7H8121.6°123.6°
S07C08C09N104.5°16.2°
S07C08C09O14173.5°163.8°
S07C08H7H8121.6°123.6°
C09N10C15C1685.9°81.0°
N10C09C08H7123.9°134.4°
N10C09C08H8115.0°102.0°
C09N10C15H1233.6°38.9°
C09N10C15H13154.5°159.0°
O14C09N10C152.6°0.0°
O14C09C08H754.1°45.6°
O14C09C08H867.0°78.0°
C12C11N02O13179.1°180.0°
C11C12H9H10120.1°120.0°
C11C12H9CL119.8°120.0°
C11C12H10CL119.8°120.0°
C11N02C01H19.3°114.5°
C11N02C01H2109.3°6.0°
C11N02C03H3104.9°6.0°
C11N02C03H413.5°114.5°
N02C11C12H9121.4°60.0°
N02C11C12H101.3°60.1°
N02C11C12CL118.6°180.0°
O13C11C12H959.5°120.0°
O13C11C12H10179.6°120.0°
O13C11C12CL60.5°0.0°
C16C15N10H12119.5°119.9°
C16C15N10H13119.5°120.0°
C15C16C20O17179.4°179.7°
C15C16O17C18179.9°180.0°
C15C16C20C19179.6°180.0°
C16C15H12H13121.4°120.0°
C15C16C20H150.3°0.1°
N10C15C16C20123.3°82.7°
N10C15C16O1756.0°97.6°
N10C15H12H13121.4°120.1°
C16C20C19C180.9°0.2°
C20C16O17C180.6°0.3°
C16C20C19H15180.0°180.0°
C20C16C15H123.8°157.4°
C20C16C15H13117.2°37.3°
C16C20C19H14179.2°179.9°
C16O17C18C190.1°0.2°
C16O17C18C21179.4°179.8°
O17C16C20C190.9°0.3°
O17C16C15H12175.6°22.3°
O17C16C15H1363.5°142.4°
O17C16C20H15179.1°179.8°
C19C18C21O17179.4°180.0°
C18C19C20H14180.0°179.9°
C19C18C21C22142.1°50.0°
C19C18C21C2640.8°129.7°
C18C19C20H15179.2°179.9°
C21C18C19C20179.9°180.0°
C18C21C22C26177.1°179.7°
C18C21C22C23178.7°180.0°
C18C21C26C25178.6°179.7°
C18C21C26C302.0°0.0°
C21C18C19H140.1°0.1°
C18C21C22H161.3°0.0°
O17C18C19C200.5°0.0°
O17C18C21C2238.5°130.0°
O17C18C21C26138.5°50.3°
O17C18C19H14179.5°180.0°
C21C22C23H16180.0°179.9°
C21C22C23C240.7°0.1°
C22C21C26C251.6°0.6°
C22C21C26C30179.0°179.7°
C21C22C23H17179.3°179.9°
C26C21C22C231.6°0.3°
C21C26C25C240.7°0.6°
C21C26C25C30179.4°179.7°
C21C26C25C27179.3°179.7°
C21C26C30C29178.7°179.1°
C26C21C22H16178.5°179.7°
C21C26C30H221.3°0.0°
C22C23C24H17180.0°180.0°
C22C23C24C250.2°0.1°
C22C23C24H18179.8°179.9°
C23C24C25H18180.0°179.9°
C23C24C25C260.1°0.3°
C23C24C25C27179.9°180.0°
C24C23C22H16179.4°180.0°
C24C25C26C27180.0°179.7°
C24C25C26C30179.8°179.7°
C24C25C27C28179.7°180.0°
C25C24C23H17179.8°179.9°
C24C25C27H190.3°0.1°
C26C25C27C280.3°0.3°
C25C26C30C290.7°0.6°
C26C25C24H18179.9°179.8°
C26C25C27H19179.7°179.8°
C25C26C30H22179.3°179.7°
C27C25C26C300.2°0.0°
C25C27C28H19180.0°179.9°
C25C27C28C290.2°0.0°
C27C25C24H180.1°0.1°
C25C27C28H20179.8°180.0°
C26C30C29C280.7°0.9°
C26C30C29H22180.0°179.2°
C26C30C29H21179.3°179.7°
C27C28C29H20180.0°180.0°
C27C28C29C300.3°0.6°
C27C28C29H21179.7°180.0°
C28C29C30H21180.0°179.4°
C29C28C27H19179.8°179.9°
C28C29C30H22179.2°180.0°
C30C29C28H20179.7°179.4°
H1C01C06H671.1°173.9°
H1C01C06H2447.2°53.8°
H2C01C06H647.5°53.4°
H2C01C06H24165.8°66.7°
H3C03C04H5157.3°66.7°
H3C03C04H2339.8°53.3°
H4C03C04H538.9°53.8°
H4C03C04H2378.6°173.8°
H9C12H10CL120.1°120.0°
H14C19C20H150.8°0.1°
H16C22C23H170.6°0.0°
H17C23C24H180.2°0.0°
H19C27C28H200.2°0.0°
H20C28C29H210.3°0.0°
H21C29C30H220.8°0.6°

222415

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