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SLU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O39C16doub1.22Å1.23Å
C16C14sing1.47Å1.48Å
C16N40sing1.35Å1.33Å
C14N15sing1.32Å1.34ÅAromatic
C14C13doub1.38Å1.39ÅAromatic
N15C11doub1.32Å1.32ÅAromatic
C13S12sing1.74Å1.69ÅAromatic
C13H13sing1.08Å1.08Å
S12C11sing1.79Å1.70ÅAromatic
C11C8sing1.47Å1.50ÅAromatic
C8S9sing1.79Å1.71ÅAromatic
C8N7doub1.32Å1.34ÅAromatic
S9C4sing1.78Å1.67ÅAromatic
C4C5sing1.37Å1.41ÅAromatic
C4C3doub1.42Å1.48ÅAromatic
C5C6doub1.39Å1.41ÅAromatic
C5H5sing1.08Å1.08Å
C6O10sing1.36Å1.37Å
C6C1sing1.39Å1.39ÅAromatic
O10H10sing0.97Å0.95Å
C3N7sing1.34Å1.35ÅAromatic
C3C2sing1.42Å1.39ÅAromatic
C2C1doub1.36Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
N40S17sing1.66Å1.59Å
N40H40sing0.97Å1.00Å
S17O18doub1.42Å1.45Å
S17O19doub1.42Å1.41Å
S17O20sing1.52Å1.60Å
O20C21sing1.43Å1.43Å
C21C22sing1.53Å1.51Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22C23sing1.54Å1.52Å
C22O26sing1.44Å1.43Å
C22H22sing1.09Å1.10Å
C23O27sing1.43Å1.44Å
C23C24sing1.55Å1.52Å
C23H23sing1.09Å1.10Å
O27H27sing0.97Å0.95Å
C24O28sing1.43Å1.44Å
C24C25sing1.54Å1.52Å
C24H24sing1.09Å1.10Å
O28H28sing0.97Å0.95Å
C25O26sing1.44Å1.42Å
C25N35sing1.46Å1.49Å
C25H25sing1.09Å1.10Å
N35C32sing1.37Å1.32ÅAromatic
N35C36sing1.36Å1.36ÅAromatic
C32N31sing1.33Å1.34ÅAromatic
C32C33doub1.41Å1.45ÅAromatic
N31C30doub1.32Å1.33ÅAromatic
C30N29sing1.32Å1.35ÅAromatic
C30H30sing1.08Å1.08Å
N29C34doub1.33Å1.35ÅAromatic
C33C34sing1.41Å1.45ÅAromatic
C33N37sing1.35Å1.33ÅAromatic
C34N38sing1.38Å1.35Å
N38H381sing0.97Å1.00Å
N38H382sing0.97Å1.00Å
N37C36doub1.30Å1.34ÅAromatic
C36H36sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O39C16C14118.4°120.0°
O39C16N40126.6°120.0°
C14C16N40114.4°120.0°
C16C14N15122.5°120.6°
C16C14C13123.0°120.6°
C16N40S17123.9°120.0°
C16N40H40118.1°120.0°
N15C14C13114.5°118.8°
C14N15C11109.5°120.1°
C14C13S12111.1°101.5°
C14C13H13124.4°129.3°
N15C11S12116.5°101.9°
N15C11C8120.7°129.1°
S12C13H13124.4°129.2°
C13S12C1188.3°97.7°
S12C11C8122.8°129.0°
C11C8S9121.8°128.9°
C11C8N7119.5°128.9°
S9C8N7117.5°102.2°
C8S9C488.0°97.1°
C8N7C3111.1°122.7°
S9C4C5128.5°135.1°
S9C4C3113.0°102.3°
C5C4C3118.5°122.6°
C4C5C6119.6°119.4°
C4C5H5120.2°120.3°
C4C3N7109.9°115.7°
C4C3C2119.3°116.2°
C6C5H5120.2°120.3°
C5C6O10120.0°120.3°
C5C6C1121.2°119.3°
O10C6C1118.8°120.4°
C6O10H10109.5°106.8°
C6C1C2120.9°121.6°
C6C1H1119.5°119.2°
N7C3C2130.8°128.1°
C3C2C1120.6°120.9°
C3C2H2119.7°119.6°
C1C2H2119.7°119.5°
C2C1H1119.6°119.2°
S17N40H40118.1°120.0°
N40S17O18106.9°105.8°
N40S17O19113.3°105.7°
N40S17O20110.8°107.4°
O18S17O19113.6°125.4°
O18S17O20108.6°105.8°
O19S17O20103.6°105.8°
S17O20C21116.7°106.8°
O20C21C22107.3°109.5°
O20C21H211110.7°109.5°
O20C21H212110.2°109.4°
C22C21H211110.7°109.5°
C22C21H212110.2°109.4°
C21C22C23112.6°110.4°
C21C22O26110.7°110.4°
C21C22H22105.0°110.3°
H211C21H212107.8°109.5°
C23C22O26104.3°104.8°
C23C22H22111.3°110.4°
C22C23O27111.2°110.5°
C22C23C24101.1°104.1°
C22C23H23115.6°110.6°
O26C22H22113.2°110.4°
C22O26C25109.3°105.3°
O27C23C24114.5°110.5°
O27C23H23102.5°110.4°
C23O27H27109.5°106.8°
C24C23H23112.4°110.6°
C23C24O28110.1°110.6°
C23C24C25102.4°104.0°
C23C24H24113.0°110.5°
O28C24C25107.6°110.7°
O28C24H24108.2°110.5°
C24O28H28109.5°106.7°
C25C24H24115.2°110.4°
C24C25O26107.0°104.9°
C24C25N35111.2°110.4°
C24C25H25109.3°110.4°
O26C25N35107.4°110.3°
O26C25H25112.9°110.3°
N35C25H25108.9°110.3°
C25N35C32121.9°126.3°
C25N35C36130.0°126.3°
C32N35C36108.1°107.4°
N35C32N31133.1°134.9°
N35C32C33105.8°106.0°
N35C36N37111.2°110.0°
N35C36H36124.4°125.0°
N31C32C33121.1°119.1°
C32N31C30118.8°120.6°
C32C33C34117.6°118.1°
C32C33N37108.5°107.1°
N31C30N29123.3°122.4°
N31C30H30118.3°118.8°
N29C30H30118.4°118.8°
C30N29C34123.1°121.2°
N29C34C33116.1°118.5°
N29C34N38122.4°120.8°
C34C33N37133.9°134.7°
C33C34N38121.5°120.7°
C33N37C36106.2°109.4°
C34N38H381125.9°120.0°
C34N38H382108.2°120.1°
H381N38H382125.9°119.9°
N37C36H36124.4°125.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O39C16C14N40171.7°179.9°
O39C16C14N1512.3°179.7°
O39C16C14C13168.1°0.0°
O39C16N40S175.7°0.1°
O39C16N40H40174.3°180.0°
C16C14N15C13179.6°179.7°
C16C14N15C11179.5°179.7°
C16C14C13S12179.8°180.0°
C16C14C13H130.2°0.0°
C14C16N40S17176.6°180.0°
C14C16N40H403.4°0.1°
N40C16C14N15176.0°0.3°
N40C16C14C133.6°180.0°
C16N40S17H40180.0°179.9°
C16N40S17O18156.0°177.6°
C16N40S17O1978.1°47.6°
C16N40S17O2037.9°65.0°
N15C14C13S120.6°0.3°
N15C14C13H13179.4°179.7°
C14N15C11S120.7°0.4°
C14N15C11C8178.1°179.8°
C13C14N15C110.1°0.5°
C14C13S12H13180.0°180.0°
C14C13S12C110.8°0.0°
N15C11S12C130.9°0.2°
N15C11S12C8178.8°179.8°
N15C11C8S91.6°179.7°
N15C11C8N7166.2°0.0°
C13S12C11C8177.8°180.0°
H13C13S12C11179.2°180.0°
S12C11C8S9177.1°0.0°
S12C11C8N715.1°179.7°
C11C8S9N7168.0°179.8°
C11C8S9C4174.5°180.0°
C11C8N7C3176.4°179.7°
C8S9C4C5178.6°180.0°
C8S9C4C33.0°0.0°
S9C8N7C38.1°0.5°
N7C8S9C46.5°0.3°
C8N7C3C45.2°0.5°
C8N7C3C2176.1°179.7°
S9C4C5C3178.3°180.0°
S9C4C5C6179.1°180.0°
S9C4C5H50.9°0.0°
S9C4C3N70.6°0.3°
S9C4C3C2179.5°180.0°
C4C5C6H5180.0°180.0°
C4C5C6O10179.9°180.0°
C4C5C6C10.2°0.0°
C5C4C3N7177.9°179.8°
C5C4C3C21.0°0.0°
C3C4C5C60.8°0.1°
C3C4C5H5179.2°180.0°
C4C3N7C2178.7°179.7°
C4C3C2C10.2°0.0°
C4C3C2H2179.9°180.0°
C5C6O10C1179.8°180.0°
C5C6O10H10117.4°90.0°
C5C6C1C21.0°0.0°
C5C6C1H1179.0°180.0°
H5C5C6O100.1°0.0°
H5C5C6C1179.8°180.0°
O10C6C1C2179.3°180.0°
O10C6C1H10.7°0.0°
C1C6O10H1062.4°90.0°
C6C1C2C30.8°0.1°
C6C1C2H1180.0°179.9°
C6C1C2H2179.2°180.0°
N7C3C2C1178.5°179.7°
N7C3C2H21.5°0.3°
C3C2C1H2180.0°179.9°
C3C2C1H1179.2°180.0°
H2C2C1H10.8°0.1°
N40S17O18O19125.7°123.1°
N40S17O18O20119.6°113.7°
N40S17O19O20120.2°113.7°
N40S17O20C2153.8°75.0°
H40N40S17O1824.0°2.4°
H40N40S17O19101.9°132.4°
H40N40S17O20142.1°115.0°
O18S17O19O20117.6°123.1°
O18S17O20C2163.3°37.6°
O19S17O20C21175.6°172.4°
S17O20C21C22174.5°180.0°
S17O20C21H21164.7°60.0°
S17O20C21H21254.5°60.0°
O20C21C22H211120.8°120.0°
O20C21C22H212120.0°119.9°
O20C21H211H212120.6°120.0°
O20C21C22C23178.7°178.1°
O20C21C22O2662.4°66.4°
O20C21C22H2260.1°55.9°
C22C21H211H212120.6°120.0°
C21C22C23O26120.1°118.9°
C21C22C23H22117.6°122.2°
C21C22O26H22117.5°122.2°
C21C22C23O2779.2°98.3°
C21C22C23C24158.8°143.0°
C21C22C23H2337.1°24.2°
C21C22O26C25147.9°159.4°
H211C21C22C2360.5°58.1°
H211C21C22O26176.8°173.5°
H211C21C22H2260.7°64.2°
H212C21C22C2358.7°61.9°
H212C21C22O2657.6°53.5°
H212C21C22H22179.9°175.8°
C23C22O26H22121.1°118.9°
C22C23O27C24113.8°114.7°
C22C23O27H23124.2°122.6°
C22C23C24H23123.9°118.7°
C22C23O27H2739.9°179.9°
C22C23C24O2878.3°118.7°
C22C23C24C2535.9°0.1°
C22C23C24H24160.6°118.6°
C23C22O26C2526.6°40.5°
O26C22C23O27160.7°142.8°
O26C22C23C2438.8°24.1°
O26C22C23H2382.9°94.7°
C22O26C25C243.0°40.5°
C22O26C25N35122.5°159.4°
C22O26C25H25117.3°78.5°
H22C22C23O2738.3°23.9°
H22C22C23C2483.6°94.8°
H22C22C23H23154.7°146.5°
H22C22O26C2594.6°78.3°
O27C23C24H23116.5°122.6°
O27C23C24O2841.3°0.1°
O27C23C24C25155.6°118.8°
O27C23C24H2479.8°122.7°
C24C23O27H2773.9°65.2°
C23C24O28C25110.9°114.7°
C23C24O28H24123.9°122.7°
C23C24C25H24123.1°118.6°
C23C24O28H28100.8°61.5°
C23C24C25O2621.4°23.8°
C23C24C25N3595.6°142.7°
C23C24C25H25144.1°95.0°
H23C23O27H27164.1°57.4°
H23C23C24O28157.8°122.5°
H23C23C24C2588.0°118.6°
H23C23C24H2436.6°0.1°
O28C24C25H24120.8°122.7°
O28C24C25O2694.7°142.6°
O28C24C25N35148.3°98.5°
O28C24C25H2528.0°23.8°
C25C24O28H2810.2°176.2°
C24C25O26N35119.5°118.9°
C24C25O26H25120.4°118.9°
C24C25N35H25120.5°122.3°
C24C25N35C3278.2°86.5°
C24C25N35C36103.3°93.3°
H24C24O28H28135.3°61.2°
H24C24C25O26144.5°94.7°
H24C24C25N3527.5°24.1°
H24C24C25H2592.9°146.4°
O26C25N35H25122.6°122.2°
O26C25N35C32165.0°158.0°
O26C25N35C3613.5°22.2°
C25N35C32C36178.8°179.9°
C25N35C32N312.0°0.1°
C25N35C32C33179.1°179.7°
C25N35C36N37179.9°180.0°
C25N35C36H360.1°0.2°
H25C25N35C3242.3°35.8°
H25C25N35C36136.1°144.3°
N35C32N31C33178.8°179.8°
N35C32N31C30179.1°180.0°
N35C32C33C34178.7°179.6°
N35C32C33N370.7°0.4°
C32N35C36N371.2°0.1°
C32N35C36H36178.8°180.0°
C36N35C32N31179.3°180.0°
C36N35C32C330.3°0.2°
N35C36N37C331.7°0.3°
N35C36N37H36180.0°179.9°
C32N31C30N291.0°0.0°
C32N31C30H30178.9°179.9°
N31C32C33C340.4°0.5°
N31C32C33N37178.4°179.8°
C33C32N31C300.2°0.3°
C32C33C34N290.2°0.5°
C32C33C34N37177.4°179.0°
C32C33C34N38179.8°179.7°
C32C33N37C361.4°0.4°
N31C30N29H30180.0°179.9°
N31C30N29C341.3°0.0°
C30N29C34C330.6°0.2°
C30N29C34N38179.4°180.0°
H30C30N29C34178.7°180.0°
N29C34C33N38180.0°179.8°
N29C34C33N37177.6°179.5°
N29C34N38H381180.0°0.0°
N29C34N38H3820.0°179.7°
C33C34N38H3810.0°179.7°
C33C34N38H382180.0°0.5°
C34C33N37C36179.0°179.5°
N37C33C34N382.4°0.7°
C33N37C36H36178.3°179.8°
C34N38H381H382180.0°179.8°

221716

PDB entries from 2024-06-26

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