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SummaryGeometryRelated PDB entries

94W

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01O02sing1.36Å1.40Å
C01C04sing1.38Å1.39ÅAromatic
C01C08doub1.39Å1.44ÅAromatic
O02C03sing1.43Å1.41Å
C04C05doub1.39Å1.40ÅAromatic
C05C06sing1.40Å1.41ÅAromatic
C05S12sing1.76Å1.66ÅAromatic
C06C07doub1.41Å1.43ÅAromatic
C06N09sing1.35Å1.51ÅAromatic
C07C08sing1.37Å1.42ÅAromatic
N09C10doub1.29Å1.39ÅAromatic
C10N11sing1.38Å1.51Å
C10S12sing1.76Å1.74ÅAromatic
C04H04sing1.08Å1.08Å
C08H08sing1.08Å1.08Å
C03H031sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C03H033sing1.09Å1.10Å
C07H07sing1.08Å1.08Å
N11H111sing0.97Å1.00Å
N11H112sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O02C01C04115.0°120.0°
O02C01C08123.8°120.1°
C01O02C03124.8°117.0°
C04C01C08121.1°119.9°
C01C04C05119.7°120.2°
C01C04H04120.2°120.0°
C01C08C07119.0°120.6°
C01C08H08120.5°119.7°
O02C03H031109.5°109.4°
O02C03H032109.5°109.5°
O02C03H033109.5°109.4°
C04C05C06121.2°120.4°
C04C05S12129.5°131.2°
C05C04H04120.2°119.9°
C06C05S12109.3°108.5°
C05C06C07119.8°118.6°
C05C06N09111.3°112.8°
C05S12C1098.9°90.5°
C07C06N09128.8°128.6°
C06C07C08119.1°120.5°
C06C07H07120.5°119.8°
C06N09C10113.9°117.9°
C07C08H08120.5°119.7°
C08C07H07120.4°119.8°
N09C10N11123.3°124.8°
N09C10S12106.3°110.4°
N11C10S12130.4°124.8°
C10N11H111109.5°120.0°
C10N11H112109.4°120.0°
H031C03H032109.5°109.5°
H031C03H033109.4°109.5°
H032C03H033109.5°109.5°
H111N11H112109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O02C01C04C08177.5°179.7°
O02C01C04C05179.0°180.0°
O02C01C08C07179.9°179.8°
O02C01C04H041.0°0.0°
O02C01C08H080.1°0.0°
C01O02C03H031180.0°60.0°
C01O02C03H03260.0°60.0°
C01O02C03H03360.0°179.9°
C04C01O02C0311.3°180.0°
C01C04C05H04180.0°180.0°
C01C04C05C062.3°0.0°
C01C04C05S12177.0°180.0°
C04C01C08C072.8°0.5°
C04C01C08H08177.2°179.7°
C08C01O02C03171.3°0.3°
C08C01C04C053.4°0.3°
C01C08C07C061.1°0.5°
C01C08C07H08180.0°179.8°
C08C01C04H04176.6°179.7°
C01C08C07H07178.9°179.7°
O02C03H031H032120.0°120.0°
O02C03H031H033120.0°119.9°
O02C03H032H033120.0°120.0°
C04C05C06S12179.4°180.0°
C04C05C06C070.6°0.0°
C04C05C06N09178.0°180.0°
C04C05S12C10178.8°180.0°
C05C06C07N09176.9°180.0°
C05C06C07C080.0°0.2°
C05C06N09C105.1°0.0°
C06C05S12C101.8°0.0°
C06C05C04H04177.7°180.0°
C05C06C07H07180.0°180.0°
S12C05C06C07178.8°180.0°
S12C05C06N091.4°0.0°
C05S12C10N094.6°0.0°
C05S12C10N11176.8°180.0°
S12C05C04H043.0°0.1°
C06C07C08H07180.0°179.8°
C07C06N09C10177.8°179.9°
C06C07C08H08178.9°179.8°
N09C06C07C08176.9°179.8°
C06N09C10N11175.2°180.0°
C06N09C10S126.0°0.0°
N09C06C07H073.1°0.1°
N09C10N11S12178.4°179.9°
N09C10N11H1110.0°0.1°
N09C10N11H112120.0°179.9°
C10N11H111H112120.0°180.0°
S12C10N11H111178.4°180.0°
S12C10N11H11258.4°0.0°
H08C08C07H071.1°0.1°
H031C03H032H033120.0°120.0°

246704

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