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SummaryGeometryRelated PDB entries

41A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02sing1.53Å1.54Å
C02C03sing1.53Å1.54Å
C02C04sing1.53Å1.57Å
C02C08sing1.53Å1.57Å
C04C05sing1.52Å1.52Å
C05C06doub1.39Å1.37ÅAromatic
C05N18sing1.31Å1.40ÅAromatic
C06C07sing1.41Å1.44Å
C06S10sing1.75Å1.76ÅAromatic
C07C08sing1.51Å1.53Å
C07O09doub1.21Å1.23Å
S10C11sing1.71Å1.78ÅAromatic
C11N12sing1.38Å1.37Å
C11N18doub1.30Å1.32ÅAromatic
N12C13sing1.47Å1.45Å
N12C17sing1.47Å1.50Å
C13C14sing1.53Å1.53Å
C14O15sing1.43Å1.43Å
O15C16sing1.43Å1.45Å
C16C17sing1.53Å1.51Å
C01H01sing1.09Å1.10Å
C01H01Asing1.09Å1.10Å
C01H01Bsing1.09Å1.10Å
C03H03sing1.09Å1.10Å
C03H03Asing1.09Å1.10Å
C03H03Bsing1.09Å1.10Å
C04H04sing1.09Å1.10Å
C04H04Asing1.09Å1.10Å
C08H08sing1.09Å1.10Å
C08H08Asing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02C03107.4°109.3°
C01C02C04109.1°109.3°
C01C02C08109.4°109.3°
C02C01H01109.5°109.4°
C02C01H01A109.4°109.5°
C02C01H01B109.5°109.4°
C03C02C04110.9°109.3°
C03C02C08109.7°109.3°
C02C03H03109.5°109.5°
C02C03H03A109.4°109.5°
C02C03H03B109.4°109.5°
C04C02C08110.2°110.2°
C02C04C05114.1°108.0°
C02C04H04108.0°109.8°
C02C04H04A106.9°109.8°
C02C08C07117.2°109.8°
C02C08H08106.9°109.4°
C02C08H08A105.2°109.4°
C04C05C06121.8°120.8°
C04C05N18123.4°126.3°
C05C04H04107.9°109.8°
C05C04H04A106.9°109.7°
C06C05N18114.8°112.8°
C05C06C07124.9°123.4°
C05C06S10111.0°108.3°
C05N18C11111.6°117.9°
C07C06S10124.1°128.3°
C06C07C08116.4°117.7°
C06C07O09121.4°121.1°
C06S10C1188.5°90.4°
C08C07O09122.2°121.2°
C07C08H08107.0°109.6°
C07C08H08A105.2°109.2°
S10C11N12121.7°124.7°
S10C11N18114.2°110.6°
N12C11N18124.1°124.7°
C11N12C13117.9°111.0°
C11N12C17112.0°111.0°
C13N12C17112.3°110.7°
N12C13C14109.4°109.3°
N12C13H13109.5°109.5°
N12C13H13A109.5°109.5°
N12C17C16109.9°109.3°
N12C17H17109.3°109.5°
N12C17H17A109.2°109.5°
C13C14O15112.3°109.3°
C14C13H13109.5°109.5°
C14C13H13A109.5°109.5°
C13C14H14108.5°109.5°
C13C14H14A107.9°109.5°
C14O15C16111.2°113.7°
O15C14H14108.5°109.5°
O15C14H14A107.9°109.5°
O15C16C17112.1°109.2°
O15C16H16108.6°109.5°
O15C16H16A108.0°109.6°
C17C16H16108.6°109.5°
C17C16H16A108.0°109.5°
C16C17H17109.3°109.5°
C16C17H17A109.2°109.5°
H01C01H01A109.5°109.5°
H01C01H01B109.4°109.5°
H01AC01H01B109.5°109.4°
H03C03H03A109.5°109.4°
H03C03H03B109.5°109.5°
H03AC03H03B109.5°109.5°
H04C04H04A113.2°109.8°
H08C08H08A115.8°109.4°
H13C13H13A109.4°109.5°
H14C14H14A111.7°109.5°
H16C16H16A111.5°109.6°
H17C17H17A109.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02C03C04119.2°119.6°
C01C02C03C08118.9°119.6°
C01C02C04C08120.2°120.2°
C01C02C04C05161.8°177.1°
C01C02C08C07162.8°179.7°
C02C01H01H01A120.0°120.0°
C02C01H01H01B120.0°120.0°
C02C01H01AH01B120.0°120.0°
C01C02C03H03175.6°60.0°
C01C02C03H03A55.6°180.0°
C01C02C03H03B64.4°60.0°
C01C02C04H0478.2°63.3°
C01C02C04H04A43.8°57.5°
C01C02C08H0842.8°60.0°
C01C02C08H08A80.8°59.8°
C03C02C04C08121.7°120.2°
C03C02C04C0580.1°63.3°
C03C02C08C0779.5°60.1°
C03C02C01H019.5°60.0°
C03C02C01H01A110.5°180.0°
C03C02C01H01B129.5°60.0°
C02C03H03H03A120.0°120.0°
C02C03H03H03B120.0°120.0°
C02C03H03AH03B120.0°120.0°
C03C02C04H0439.9°56.3°
C03C02C04H04A161.9°177.1°
C03C02C08H08160.4°179.6°
C03C02C08H08A36.8°59.8°
C02C04C05H04120.0°119.6°
C02C04C05H04A117.9°119.6°
C02C04C05C0623.4°27.4°
C02C04C05N18158.1°152.6°
C04C02C08C0742.8°60.2°
C04C02C01H01110.8°179.6°
C04C02C01H01A129.2°60.4°
C04C02C01H01B9.2°59.6°
C04C02C03H0365.2°59.6°
C04C02C03H03A174.8°60.4°
C04C02C03H03B54.8°179.6°
C02C04H04H04A118.1°120.8°
C04C02C08H0877.2°60.2°
C04C02C08H08A159.2°180.0°
C08C02C04C0541.6°56.9°
C02C08C07C0623.6°31.7°
C02C08C07H08120.0°120.2°
C02C08C07H08A116.4°120.0°
C02C08C07O09158.1°148.5°
C08C02C01H01128.6°59.6°
C08C02C01H01A8.6°60.4°
C08C02C01H01B111.5°179.7°
C08C02C03H0356.7°179.7°
C08C02C03H03A63.3°60.4°
C08C02C03H03B176.7°59.6°
C08C02C04H04161.6°176.5°
C08C02C04H04A76.4°62.7°
C02C08H08H08A116.8°119.8°
C04C05C06N18178.6°179.9°
C04C05C06C072.0°0.3°
C04C05C06S10180.0°179.7°
C04C05N18C11180.0°179.8°
C05C04H04H04A118.1°120.7°
C05C06C07S10177.8°180.0°
C05C06C07C081.7°1.8°
C05C06C07O09180.0°178.5°
C05C06S10C110.8°0.2°
C06C05N18C111.4°0.2°
C06C05C04H04143.4°147.0°
C06C05C04H04A94.5°92.3°
N18C05C06C07179.4°179.7°
N18C05C06S101.4°0.2°
C05N18C11S100.8°0.0°
C05N18C11N12179.3°179.9°
N18C05C04H0438.1°32.9°
N18C05C04H04A83.9°87.8°
C06C07C08O09178.3°179.8°
C07C06S10C11178.8°179.8°
C06C07C08H0896.4°88.5°
C06C07C08H08A139.9°151.7°
S10C06C07C08179.5°178.2°
S10C06C07O092.2°1.6°
C06S10C11N12179.9°179.9°
C06S10C11N180.0°0.1°
C07C08H08H08A116.8°119.7°
O09C07C08H0881.9°91.3°
O09C07C08H08A41.7°28.6°
S10C11N12N18179.9°180.0°
S10C11N12C1344.4°0.0°
S10C11N12C17177.1°123.6°
C11N12C13C17132.5°123.8°
C11N12C13C14173.0°177.6°
C11N12C17C16170.5°177.6°
C11N12C13H1367.0°62.5°
C11N12C13H13A53.0°57.7°
C11N12C17H1750.5°57.7°
C11N12C17H17A69.7°62.4°
N18C11N12C13135.5°180.0°
N18C11N12C172.8°56.4°
N12C13C14H13120.0°119.9°
N12C13C14H13A120.0°119.9°
N12C13C14O1556.3°56.8°
C13N12C17C1654.1°58.6°
N12C13H13H13A120.0°120.1°
N12C13C14H14176.3°176.8°
N12C13C14H14A62.5°63.1°
C13N12C17H17174.1°178.6°
C13N12C17H17A65.7°61.3°
C17N12C13C1454.5°58.6°
N12C17C16O1554.1°56.9°
N12C17C16H17120.0°119.9°
N12C17C16H17A119.8°120.0°
C17N12C13H1365.6°61.3°
C17N12C13H13A174.5°178.5°
N12C17C16H16174.1°176.8°
N12C17C16H16A64.8°63.1°
N12C17H17H17A119.8°120.1°
C13C14O15H14120.0°119.9°
C13C14O15H14A118.8°119.9°
C13C14O15C1657.4°58.7°
C14C13H13H13A120.0°120.1°
C13C14H14H14A118.8°120.1°
C14O15C16C1756.6°58.7°
O15C14C13H1363.7°63.1°
O15C14C13H13A176.3°176.8°
O15C14H14H14A118.9°120.1°
C14O15C16H16176.6°178.6°
C14O15C16H16A62.3°61.2°
O15C16C17H16120.0°119.9°
O15C16C17H16A118.9°120.0°
C16O15C14H14177.4°178.6°
C16O15C14H14A61.4°61.3°
O15C16H16H16A118.9°120.2°
O15C16C17H17174.0°176.8°
O15C16C17H17A65.8°63.1°
C17C16H16H16A118.9°120.1°
C16C17H17H17A119.8°120.1°
H01C01H01AH01B120.0°120.1°
H03C03H03AH03B120.0°120.0°
H13C13C14H1456.3°56.8°
H13C13C14H14A177.5°177.0°
H13AC13C14H1463.7°63.3°
H13AC13C14H14A57.5°56.9°
H16C16C17H1766.0°63.3°
H16C16C17H17A54.2°56.8°
H16AC16C17H1755.2°56.9°
H16AC16C17H17A175.3°176.9°

222415

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