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N3B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.39ÅAromatic
C1C6sing1.38Å1.40ÅAromatic
C1HA1sing1.08Å1.08Å
C2C3sing1.39Å1.39ÅAromatic
C2F7sing1.35Å1.33Å
C3C4doub1.38Å1.39ÅAromatic
C3HA2sing1.08Å1.08Å
C4C5sing1.39Å1.39ÅAromatic
C4HB1sing1.08Å1.08Å
C5C6doub1.39Å1.39ÅAromatic
C5C8sing1.48Å1.45ÅAromatic
C6HB2sing1.08Å1.08Å
C8C9doub1.40Å1.39ÅAromatic
C8C13sing1.40Å1.39ÅAromatic
C9C10sing1.38Å1.39ÅAromatic
C9HC1sing1.08Å1.08Å
C10C11doub1.40Å1.39ÅAromatic
C10HD1sing1.08Å1.08Å
C11C12sing1.40Å1.39ÅAromatic
C11C14sing1.48Å1.45Å
C12C13doub1.38Å1.40ÅAromatic
C12HD2sing1.08Å1.08Å
C13HC2sing1.08Å1.08Å
C14O15doub1.22Å1.23Å
C14N16sing1.35Å1.34Å
N16S17sing1.66Å1.78Å
N16H47sing0.97Å1.01Å
S17C18sing1.76Å1.73Å
S17O24doub1.42Å1.43Å
S17O25doub1.42Å1.43Å
C18C19doub1.38Å1.39ÅAromatic
C18C23sing1.38Å1.39ÅAromatic
C19C20sing1.38Å1.39ÅAromatic
C19HGsing1.08Å1.08Å
C20C21doub1.39Å1.39ÅAromatic
C20N26sing1.48Å1.37Å
C21C22sing1.39Å1.39ÅAromatic
C21N29sing1.40Å1.40Å
C22C23doub1.38Å1.40ÅAromatic
C22HFsing1.08Å1.08Å
C23HEsing1.08Å1.08Å
N26O27sing1.22Å1.23Å
N26O28doub1.22Å1.21Å
N29C30sing1.47Å1.45Å
N29H51sing0.97Å1.03Å
C30C31sing1.53Å1.54Å
C30HH1sing1.09Å1.10Å
C30HH2sing1.09Å1.10Å
C31S32sing1.81Å1.82Å
C31HI1sing1.09Å1.10Å
C31HI2sing1.09Å1.09Å
S32C33sing1.76Å1.73Å
C33C34doub1.39Å1.39ÅAromatic
C33C38sing1.39Å1.39ÅAromatic
C34C35sing1.38Å1.39ÅAromatic
C34HJ1sing1.08Å1.08Å
C35C36doub1.38Å1.39ÅAromatic
C35HK1sing1.08Å1.08Å
C36C37sing1.38Å1.39ÅAromatic
C36HLsing1.08Å1.08Å
C37C38doub1.38Å1.39ÅAromatic
C37HK2sing1.08Å1.08Å
C38HJ2sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6120.0°120.1°
C2C1HA1119.5°119.9°
C1C2C3119.7°120.2°
C1C2F7120.1°119.9°
C6C1HA1120.5°120.0°
C1C6C5120.4°119.9°
C1C6HB2117.9°120.0°
C3C2F7120.2°119.9°
C2C3C4119.9°120.1°
C2C3HA2119.8°119.9°
C4C3HA2120.2°119.9°
C3C4C5120.7°119.9°
C3C4HB1117.8°120.1°
C5C4HB1121.4°120.0°
C4C5C6119.2°119.8°
C4C5C8120.2°120.1°
C6C5C8120.6°120.1°
C5C6HB2121.6°120.1°
C5C8C9119.8°120.0°
C5C8C13121.0°120.0°
C9C8C13119.2°120.1°
C8C9C10120.6°120.0°
C8C9HC1121.2°120.0°
C8C13C12120.4°120.0°
C8C13HC2121.2°120.0°
C10C9HC1118.2°119.9°
C9C10C11120.3°119.9°
C9C10HD1119.0°120.0°
C11C10HD1120.7°120.0°
C10C11C12119.3°120.0°
C10C11C14118.8°120.0°
C12C11C14121.9°120.0°
C11C12C13120.1°120.0°
C11C12HD2121.3°120.0°
C11C14O15119.1°120.0°
C11C14N16122.7°120.0°
C13C12HD2118.5°120.0°
C12C13HC2118.4°120.0°
O15C14N16118.2°120.0°
C14N16S17119.6°120.0°
C14N16H47121.3°120.0°
S17N16H47119.1°120.0°
N16S17C18111.3°107.4°
N16S17O24109.9°105.7°
N16S17O25109.4°105.8°
C18S17O24107.6°105.8°
C18S17O25109.4°105.8°
S17C18C19120.1°119.9°
S17C18C23120.5°119.9°
O24S17O25109.3°125.4°
C19C18C23119.5°120.2°
C18C19C20120.4°120.1°
C18C19HG117.6°120.0°
C18C23C22120.1°120.0°
C18C23HE119.3°120.0°
C20C19HG122.0°119.9°
C19C20C21120.3°119.8°
C19C20N26118.0°120.1°
C21C20N26121.7°120.1°
C20C21C22119.3°119.9°
C20C21N29123.1°120.0°
C20N26O27120.3°120.0°
C20N26O28123.9°120.0°
C22C21N29117.7°120.1°
C21C22C23120.4°119.9°
C21C22HF123.5°120.1°
C21N29C30126.6°120.0°
C21N29H51115.6°120.0°
C23C22HF116.1°120.0°
C22C23HE120.6°119.9°
O27N26O28115.8°120.0°
C30N29H51117.8°120.0°
N29C30C31110.8°109.4°
N29C30HH1109.7°109.5°
N29C30HH2111.4°109.4°
C31C30HH1106.7°109.5°
C31C30HH2108.8°109.5°
C30C31S32111.3°109.4°
C30C31HI1107.4°109.5°
C30C31HI2110.3°109.4°
HH1C30HH2109.4°109.5°
S32C31HI1107.3°109.5°
S32C31HI2110.0°109.5°
C31S32C33120.3°100.0°
HI1C31HI2110.4°109.5°
S32C33C34119.7°120.1°
S32C33C38120.3°120.1°
C34C33C38120.1°119.8°
C33C34C35120.0°119.9°
C33C34HJ1120.0°120.0°
C33C38C37119.9°119.9°
C33C38HJ2120.5°120.0°
C35C34HJ1120.0°120.0°
C34C35C36120.0°120.1°
C34C35HK1120.1°119.9°
C36C35HK1120.0°120.0°
C35C36C37120.0°120.2°
C35C36HL120.0°119.9°
C37C36HL120.0°120.0°
C36C37C38120.0°120.1°
C36C37HK2119.9°120.0°
C38C37HK2120.1°119.9°
C37C38HJ2119.6°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6HA1180.0°179.7°
C1C2C3F7180.0°180.0°
C1C2C3C40.1°0.0°
C1C2C3HA2180.0°180.0°
C2C1C6C50.0°0.5°
C2C1C6HB2180.0°180.0°
C6C1C2C30.0°0.3°
C6C1C2F7179.9°179.7°
C1C6C5C40.1°0.5°
C1C6C5HB2180.0°179.5°
C1C6C5C8179.7°179.7°
HA1C1C2C3180.0°180.0°
HA1C1C2F70.1°0.0°
HA1C1C6C5180.0°179.7°
HA1C1C6HB20.0°0.2°
C2C3C4HA2179.9°180.0°
C2C3C4C50.1°0.1°
C2C3C4HB1179.9°180.0°
F7C2C3C4179.9°180.0°
F7C2C3HA20.1°0.0°
C3C4C5HB1180.0°179.9°
C3C4C5C60.0°0.2°
C3C4C5C8179.6°180.0°
HA2C3C4C5180.0°180.0°
HA2C3C4HB10.0°0.0°
C4C5C6C8179.6°179.8°
C4C5C6HB2180.0°180.0°
C4C5C8C959.5°140.2°
C4C5C8C13120.5°39.7°
HB1C4C5C6180.0°179.7°
HB1C4C5C80.4°0.1°
C6C5C8C9120.1°40.0°
C6C5C8C1359.9°140.0°
C8C5C6HB20.4°0.2°
C5C8C9C13180.0°180.0°
C5C8C9C10180.0°180.0°
C5C8C9HC10.0°0.0°
C5C8C13C12179.9°179.7°
C5C8C13HC20.0°0.0°
C8C9C10HC1180.0°180.0°
C8C9C10C110.0°0.0°
C8C9C10HD1179.9°179.9°
C9C8C13C120.1°0.2°
C9C8C13HC2180.0°180.0°
C13C8C9C100.0°0.1°
C13C8C9HC1180.0°180.0°
C8C13C12C110.1°0.6°
C8C13C12HC2180.0°179.8°
C8C13C12HD2180.0°180.0°
C9C10C11HD1179.9°179.9°
C9C10C11C120.0°0.3°
C9C10C11C14179.9°180.0°
HC1C9C10C11180.0°180.0°
HC1C9C10HD10.1°0.1°
C10C11C12C14179.9°179.7°
C10C11C12C130.1°0.6°
C10C11C12HD2179.9°180.0°
C10C11C14O1510.1°0.1°
C10C11C14N16169.9°180.0°
HD1C10C11C12179.9°179.8°
HD1C10C11C140.0°0.1°
C11C12C13HD2179.9°179.4°
C11C12C13HC2179.9°179.7°
C12C11C14O15169.8°179.8°
C12C11C14N1610.2°0.3°
C14C11C12C13179.9°179.7°
C14C11C12HD20.2°0.3°
C11C14O15N16180.0°179.9°
C11C14N16S17180.0°180.0°
C11C14N16H470.0°0.0°
HD2C12C13HC20.0°0.2°
O15C14N16S170.0°0.0°
O15C14N16H47180.0°179.9°
C14N16S17H47179.9°180.0°
C14N16S17C1869.5°65.0°
C14N16S17O2449.5°47.6°
C14N16S17O25169.5°177.6°
N16S17C18O24120.4°112.6°
N16S17C18O25121.0°112.6°
N16S17O24O25120.0°123.1°
N16S17C18C1967.1°90.0°
N16S17C18C23113.0°90.0°
H47N16S17C18110.4°115.0°
H47N16S17O24130.5°132.4°
H47N16S17O2510.5°2.4°
C18S17O24O25118.7°123.2°
S17C18C19C23179.9°179.9°
S17C18C19C20180.0°179.9°
S17C18C19HG0.1°0.0°
S17C18C23C22180.0°179.9°
S17C18C23HE0.1°0.1°
O24S17C18C19172.4°157.4°
O24S17C18C237.5°22.5°
O25S17C18C1953.8°22.6°
O25S17C18C23126.1°157.4°
C18C19C20HG180.0°179.9°
C18C19C20C210.0°0.3°
C18C19C20N26179.9°179.9°
C19C18C23C220.1°0.0°
C19C18C23HE180.0°180.0°
C23C18C19C200.1°0.0°
C23C18C19HG180.0°179.9°
C18C23C22C210.0°0.3°
C18C23C22HE179.9°180.0°
C18C23C22HF180.0°180.0°
C19C20C21N26180.0°179.7°
C19C20C21C220.0°0.5°
C19C20C21N29179.9°180.0°
C19C20N26O270.0°37.7°
C19C20N26O28180.0°142.5°
HGC19C20C21180.0°179.8°
HGC19C20N260.0°0.1°
C20C21C22N29180.0°179.5°
C20C21C22C230.0°0.5°
C20C21C22HF180.0°179.7°
C21C20N26O27179.9°142.0°
C21C20N26O280.0°37.8°
C20C21N29C30179.8°173.6°
C20C21N29H510.0°6.4°
N26C20C21C22180.0°179.8°
N26C20C21N290.0°0.3°
C20N26O27O28179.9°179.8°
C21C22C23HF180.0°179.8°
C21C22C23HE180.0°179.8°
C22C21N29C300.2°5.9°
C22C21N29H51180.0°174.1°
N29C21C22C23179.9°180.0°
N29C21C22HF0.1°0.2°
C21N29C30H51179.8°180.0°
C21N29C30C3177.9°180.0°
C21N29C30HH139.7°60.0°
C21N29C30HH2160.9°60.0°
HFC22C23HE0.0°0.0°
N29C30C31HH1119.3°120.0°
N29C30C31HH2122.7°119.9°
N29C30HH1HH2122.4°120.0°
N29C30C31S3242.7°180.0°
N29C30C31HI174.5°60.0°
N29C30C31HI2165.1°60.0°
H51N29C30C31102.3°0.0°
H51N29C30HH1140.1°120.0°
H51N29C30HH218.9°120.0°
C31C30HH1HH2117.6°120.0°
C30C31S32HI1117.2°120.0°
C30C31S32HI2122.6°119.9°
C30C31HI1HI2120.3°120.0°
C30C31S32C3379.8°180.0°
HH1C30C31S32162.0°60.0°
HH1C30C31HI144.8°180.0°
HH1C30C31HI275.6°60.0°
HH2C30C31S3280.1°60.1°
HH2C30C31HI1162.7°60.0°
HH2C30C31HI242.4°180.0°
S32C31HI1HI2119.9°120.1°
C31S32C33C34106.0°180.0°
C31S32C33C3873.8°0.3°
HI1C31S32C3337.5°60.0°
HI2C31S32C33157.7°60.0°
S32C33C34C38179.9°179.7°
S32C33C34C35179.8°180.0°
S32C33C34HJ10.1°0.0°
S32C33C38C37179.8°179.7°
S32C33C38HJ20.2°0.3°
C33C34C35HJ1179.9°180.0°
C33C34C35C360.1°0.1°
C33C34C35HK1180.0°180.0°
C34C33C38C370.1°0.6°
C34C33C38HJ2179.9°180.0°
C38C33C34C350.1°0.3°
C38C33C34HJ1180.0°179.7°
C33C38C37C360.1°0.6°
C33C38C37HJ2180.0°179.4°
C33C38C37HK2180.0°179.7°
C34C35C36HK1179.9°179.9°
C34C35C36C370.1°0.1°
C34C35C36HL179.9°180.0°
HJ1C34C35C36180.0°180.0°
HJ1C34C35HK10.1°0.1°
C35C36C37HL180.0°179.9°
C35C36C37C380.1°0.4°
C35C36C37HK2180.0°180.0°
HK1C35C36C37180.0°180.0°
HK1C35C36HL0.0°0.1°
C36C37C38HK2179.9°179.7°
C36C37C38HJ2179.9°179.9°
HLC36C37C38179.9°179.7°
HLC36C37HK20.0°0.1°
HK2C37C38HJ20.0°0.3°

223532

PDB entries from 2024-08-07

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