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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
REN1sing0.00Å2.18Å
REN3sing0.00Å2.16Å
C1O1trip0.00Å1.17Å
C2O2trip0.00Å1.14Å
C3O3trip0.00Å1.13Å
N1C4sing0.00Å1.32ÅAromatic
N1C6sing0.00Å1.39ÅAromatic
C4N2doub0.00Å1.33ÅAromatic
N2C5sing0.00Å1.37ÅAromatic
C5C6doub0.00Å1.32ÅAromatic
N3C7sing0.00Å1.31ÅAromatic
N3C9sing0.00Å1.38ÅAromatic
C7N4doub0.00Å1.33ÅAromatic
N4C8sing0.00Å1.32ÅAromatic
C8C9doub0.00Å1.35ÅAromatic
C6H61sing0.00Å1.08Å
C5H51sing0.00Å1.08Å
C4H41sing0.00Å1.08Å
C7H71sing0.00Å1.08Å
C9H91sing0.00Å1.08Å
C8H81sing0.00Å1.08Å
REC1sing0.00Å1.88Å
REC2sing0.00Å1.91Å
REC3sing0.00Å1.90Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1REN382.8°90.0°
REN1C4125.3°90.0°
REN1C6129.8°90.0°
N1REC191.6°90.0°
N1REC2176.7°90.0°
N1REC394.0°90.0°
REN3C7128.2°90.0°
REN3C9126.6°90.0°
N3REC194.3°90.0°
N3REC293.9°90.0°
N3REC3174.7°90.0°
O1C1RE179.7°90.0°
O2C2RE179.5°90.0°
O3C3RE179.1°90.0°
C4N1C6104.9°90.0°
N1C4N2111.5°90.0°
N1C4H41124.3°90.0°
N1C6C5109.2°90.0°
N1C6H61125.4°90.0°
C4N2C5107.1°90.0°
N2C4H41124.3°90.0°
N2C5C6107.3°90.0°
N2C5H51126.3°90.0°
C5C6H61125.4°90.0°
C6C5H51126.4°90.0°
C7N3C9105.2°90.0°
N3C7N4110.8°90.0°
N3C7H71124.6°90.0°
N3C9C8108.5°90.0°
N3C9H91125.7°90.0°
C7N4C8108.5°90.0°
N4C7H71124.6°90.0°
N4C8C9107.0°90.0°
N4C8H81126.5°90.0°
C8C9H91125.7°90.0°
C9C8H81126.5°90.0°
C1REC288.0°90.0°
C1REC389.9°90.0°
C2REC389.4°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1REN3C191.1°90.0°
N1REN3C2179.4°90.0°
N1REN3C352.4°90.0°
N1REC1O176.5°90.0°
N1REC2O240.4°90.0°
N1REC3O3177.2°90.0°
REN1C4C6179.4°90.0°
REN1C4N2180.0°90.0°
REN1C6C5179.7°90.0°
N1REN3C780.6°90.0°
N1REN3C999.3°90.0°
REN1C6H610.3°90.0°
REN1C4H410.0°90.0°
N1REC1C2176.7°90.0°
N1REC1C394.0°90.0°
N1REC2C3174.3°90.0°
N3REC1O16.4°90.0°
N3REC2O250.3°90.0°
N3REC3O3130.8°90.0°
N3REN1C461.1°90.0°
N3REN1C6118.2°90.0°
REN3C7C9179.9°90.0°
REN3C7N4180.0°90.0°
REN3C9C8179.9°90.0°
REN3C7H710.0°90.0°
REN3C9H910.1°90.0°
N3REC1C293.8°90.0°
N3REC1C3176.9°90.0°
N3REC2C3175.9°90.0°
O1C1REC2100.1°90.0°
O1C1REC3170.5°90.0°
O2C2REC144.0°90.0°
O2C2REC3133.9°90.0°
O3C3REC185.6°90.0°
O3C3REC22.4°90.0°
N1C4N2H41180.0°90.0°
N1C4N2C50.6°90.0°
C4N1C6C50.3°90.0°
C4N1C6H61179.7°90.0°
C4N1REC1155.3°90.0°
C4N1REC271.0°90.0°
C4N1REC3114.7°90.0°
C6N1C4N20.6°90.0°
N1C6C5N20.0°90.0°
N1C6C5H61180.0°90.0°
N1C6C5H51180.0°90.0°
C6N1C4H41179.5°90.0°
C6N1REC124.0°90.0°
C6N1REC2108.2°90.0°
C6N1REC366.0°90.0°
C4N2C5C60.3°90.0°
C4N2C5H51179.7°90.0°
N2C5C6H51180.0°90.0°
N2C5C6H61180.0°90.0°
C5N2C4H41179.4°90.0°
N3C7N4H71180.0°90.0°
N3C7N4C80.1°90.0°
C7N3C9C80.1°90.0°
C7N3C9H91179.8°90.0°
C7N3REC1171.7°90.0°
C7N3REC2100.0°90.0°
C7N3REC328.2°90.0°
C9N3C7N40.0°90.0°
N3C9C8N40.2°90.0°
N3C9C8H91180.0°90.0°
C9N3C7H71180.0°90.0°
N3C9C8H81179.8°90.0°
C9N3REC18.2°90.0°
C9N3REC280.1°90.0°
C9N3REC3151.7°90.0°
C7N4C8C90.1°90.0°
C7N4C8H81179.9°90.0°
N4C8C9H81180.0°90.0°
C8N4C7H71179.9°90.0°
N4C8C9H91179.8°90.0°
H61C6C5H510.0°90.0°
H91C9C8H810.2°90.0°
C1REC2C389.9°90.0°

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PDB entries from 2024-06-12

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