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95P

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O15S1doub1.42Å1.41Å
N6S1sing1.66Å1.63Å
N6C9sing1.35Å1.38Å
N11C9sing1.35Å1.39Å
N11C5sing1.39Å1.38Å
S1O16doub1.42Å1.43Å
S1C2sing1.76Å1.43Å
N12C5doub1.30Å1.31ÅAromatic
N12C14sing1.32Å1.37ÅAromatic
C9O17doub1.22Å1.23Å
S3C2sing1.76Å1.70ÅAromatic
S3C7sing1.76Å1.72ÅAromatic
C5S8sing1.71Å1.72ÅAromatic
C14C13doub1.34Å1.34ÅAromatic
C2C4doub1.33Å1.39ÅAromatic
C7CL18sing1.74Å1.72Å
C7C10doub1.33Å1.38ÅAromatic
C13S8sing1.76Å1.71ÅAromatic
C13BR2sing1.89Å1.87Å
C4C10sing1.39Å1.42ÅAromatic
C10BR1sing1.89Å1.88Å
C4H1sing1.08Å1.08Å
C14H2sing1.08Å1.08Å
N11H3sing0.97Å1.00Å
N6H4sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O15S1N6102.6°106.4°
O15S1O16118.5°123.1°
O15S1C2105.9°106.4°
S1N6C9122.5°120.0°
N6S1O16109.5°106.4°
N6S1C2113.7°107.2°
S1N6H4118.7°120.0°
N6C9N11116.5°120.0°
N6C9O17120.6°120.0°
C9N6H4118.8°120.0°
C9N11C5123.9°120.0°
N11C9O17122.9°120.0°
C9N11H3118.0°120.0°
N11C5N12121.0°125.0°
N11C5S8123.2°124.9°
C5N11H3118.0°120.1°
O16S1C2106.8°106.4°
S1C2S3119.4°125.2°
S1C2C4127.9°125.2°
C5N12C14109.7°116.9°
N12C5S8115.6°110.1°
N12C14C13114.9°114.5°
N12C14H2122.6°122.7°
C2S3C792.0°91.0°
S3C2C4112.7°109.7°
S3C7CL18120.0°125.2°
S3C7C10111.2°109.6°
C5S8C1387.9°90.4°
C14C13S8111.8°108.1°
C14C13BR2128.2°125.9°
C13C14H2122.6°122.7°
C2C4C10111.2°114.9°
C2C4H1124.4°122.6°
CL18C7C10128.8°125.3°
C7C10C4113.0°114.9°
C7C10BR1123.8°122.5°
S8C13BR2119.9°126.0°
C4C10BR1123.2°122.6°
C10C4H1124.4°122.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O15S1N6O16126.8°132.9°
O15S1N6C2113.9°113.5°
O15S1N6C9174.2°48.6°
O15S1O16C2119.4°122.9°
O15S1C2S329.5°23.9°
O15S1C2C4147.9°156.4°
O15S1N6H45.8°131.5°
S1N6C9H4180.0°179.9°
S1N6C9N11179.0°180.0°
N6S1O16C2123.5°114.1°
S1N6C9O171.8°0.0°
N6S1C2S382.4°89.6°
N6S1C2C4100.2°90.0°
N6C9N11O17179.1°180.0°
N6C9N11C5178.7°180.0°
C9N6S1O1647.5°178.5°
C9N6S1C271.9°65.0°
N6C9N11H31.3°0.0°
C9N11C5H3180.0°179.9°
C9N11C5N12179.3°0.3°
C9N11C5S83.0°180.0°
N11C9N6H41.0°0.1°
N11C5N12S8176.6°179.8°
N11C5N12C14177.9°179.8°
C5N11C9O172.2°0.1°
N11C5S8C13178.0°180.0°
O16S1C2S3156.7°156.8°
O16S1C2C420.7°23.5°
O16S1N6H4132.5°1.4°
S1C2S3C4177.8°179.7°
S1C2S3C7178.6°180.0°
S1C2C4C10178.5°179.9°
S1C2C4H11.5°0.3°
C2S1N6H4108.1°114.9°
C5N12C14C130.3°0.4°
N12C5S8C131.5°0.2°
C5N12C14H2179.7°179.8°
N12C5N11H30.7°179.7°
C14N12C5S81.3°0.0°
N12C14C13H2180.0°179.4°
N12C14C13S80.8°0.5°
N12C14C13BR2179.6°179.4°
O17C9N11H3177.8°180.0°
O17C9N6H4178.2°179.9°
C2S3C7CL18179.3°179.9°
C2S3C7C100.5°0.3°
S3C2C4C101.0°0.2°
S3C2C4H1179.0°180.0°
C7S3C2C40.9°0.3°
S3C7CL18C10179.8°179.7°
S3C7C10C40.1°0.3°
S3C7C10BR1179.8°179.8°
C5S8C13C141.3°0.4°
C5S8C13BR2179.1°179.5°
S8C5N11H3177.0°0.1°
C14C13S8BR2179.6°180.0°
C2C4C10C70.6°0.0°
C2C4C10H1180.0°179.8°
C2C4C10BR1179.5°180.0°
CL18C7C10C4179.8°180.0°
CL18C7C10BR10.3°0.1°
C7C10C4BR1179.9°179.9°
C7C10C4H1179.4°179.7°
S8C13C14H2179.2°180.0°
BR2C13C14H20.4°0.0°
BR1C10C4H10.4°0.2°

217705

PDB entries from 2024-03-27

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