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C1S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CHCZdoub1.31Å1.53Å
CZCEsing1.51Å1.53Å
CESDsing1.81Å1.83Å
SDSGsing2.05Å2.04Å
SGCBsing1.81Å1.81Å
CBCAsing1.53Å1.51Å
NCAsing1.47Å1.46Å
OCdoub1.21Å1.25Å
CACsing1.51Å1.54Å
COXTsing1.34Å1.32Å
CAH1sing1.09Å1.10Å
NH2sing1.01Å1.00Å
NH3sing1.01Å1.00Å
CBH5sing1.09Å1.10Å
CBH6sing1.09Å1.10Å
CEH7sing1.09Å1.10Å
CEH8sing1.09Å1.10Å
CZH9sing1.08Å1.08Å
CHH11sing1.08Å1.08Å
CHH12sing1.08Å1.08Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CHCZCE115.4°120.1°
CHCZH9122.3°120.0°
CZCHH11120.0°119.9°
CZCHH12120.0°120.0°
CZCESD110.1°109.5°
CZCEH7109.3°109.4°
CZCEH8109.3°109.5°
CECZH9122.3°120.0°
CESDSG104.8°103.0°
SDCEH7109.3°109.5°
SDCEH8109.3°109.5°
SDSGCB95.2°103.0°
SGCBCA113.3°109.4°
SGCBH5108.5°109.4°
SGCBH6108.5°109.4°
CBCAN111.5°109.5°
CBCAC112.1°109.5°
CBCAH1107.6°109.5°
CACBH5108.5°109.5°
CACBH6108.5°109.5°
NCAC109.8°109.5°
NCAH1108.3°109.5°
CANH2109.5°111.0°
CANH3109.5°111.0°
OCCA123.2°120.0°
OCOXT123.5°120.0°
CACOXT113.3°120.0°
CCAH1107.3°109.4°
COXTHXT109.5°117.0°
H2NH3109.5°111.0°
H5CBH6109.5°109.5°
H7CEH8109.5°109.4°
H11CHH12120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CHCZCEH9180.0°180.0°
CHCZCESD152.3°115.0°
CHCZCEH732.2°5.0°
CHCZCEH887.6°125.0°
CZCHH11H12180.0°179.9°
CZCESDH7120.1°120.0°
CZCESDH8120.1°120.0°
CZCESDSG57.6°70.0°
CZCEH7H8119.7°120.0°
CECZCHH11180.0°0.0°
CECZCHH120.0°180.0°
CESDSGCB89.7°85.0°
SDCEH7H8119.7°120.0°
SDCECZH927.7°65.0°
SDSGCBCA92.0°70.0°
SDSGCBH528.6°50.0°
SDSGCBH6147.4°170.0°
SGSDCEH7177.7°170.0°
SGSDCEH862.5°50.0°
SGCBCAH5120.6°120.0°
SGCBCAH6120.5°120.0°
SGCBCAN53.8°60.0°
SGCBCAC69.7°180.0°
SGCBCAH1172.5°60.0°
SGCBH5H6118.2°120.0°
CBCANC124.8°120.0°
CBCANH1118.3°120.0°
CBCACO101.9°100.0°
CBCACH1118.0°120.0°
CBCACOXT80.5°79.7°
CBCANH2180.0°176.1°
CBCANH360.0°60.0°
CACBH5H6118.3°120.1°
NCACO22.5°20.0°
NCACH1117.6°120.0°
NCACOXT155.1°160.3°
CANH2H3120.0°123.9°
NCACBH566.7°60.0°
NCACBH6174.4°180.0°
OCCAOXT177.6°179.7°
OCCAH1140.1°140.0°
OCOXTHXT0.0°0.0°
CCANH255.2°63.9°
CCANH364.8°60.0°
CCACBH5169.7°60.1°
CCACBH650.9°60.0°
CACOXTHXT177.6°179.7°
OXTCCAH137.5°40.3°
H1CANH261.8°56.0°
H1CANH3178.2°180.0°
H1CACBH551.9°180.0°
H1CACBH666.9°60.0°
H7CECZH9147.8°174.9°
H8CECZH992.4°55.0°
H9CZCHH110.0°180.0°
H9CZCHH12180.0°0.1°

224931

PDB entries from 2024-09-11

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