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MM1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CU1N4sing2.08Å2.04Å
CU1N7sing2.09Å2.03Å
CU1N11sing2.08Å2.02Å
CU1N14sing2.08Å2.01Å
C1C2sing1.52Å1.52Å
C1N14sing1.47Å1.48Å
C1H11Asing0.98Å1.12Å
C1H12sing0.98Å1.11Å
C2C3sing1.52Å1.51Å
C2H21sing0.98Å1.11Å
C2H22sing0.98Å1.12Å
C3N4sing1.47Å1.48Å
C3H31sing0.98Å1.11Å
C3H32sing0.98Å1.12Å
N4C5sing1.47Å1.48Å
N4HN4sing0.93Å1.00Å
C5C6sing1.51Å1.50Å
C5H51sing0.98Å1.11Å
C5H52sing0.98Å1.11Å
C6N7sing1.48Å1.47Å
C6H61sing0.98Å1.12Å
C6H62sing0.98Å1.12Å
N7C8sing1.47Å1.48Å
N7HN7sing0.93Å1.00Å
C8C9sing1.52Å1.51Å
C8H81sing0.98Å1.12Å
C8H82sing0.98Å1.12Å
C9C10sing1.52Å1.51Å
C9H91sing0.98Å1.11Å
C9H92sing0.98Å1.11Å
C10N11sing1.47Å1.46Å
C10H101sing0.98Å1.12Å
C10H102sing0.98Å1.12Å
N11C12sing1.47Å1.48Å
N11H11sing0.93Å1.00Å
C12C13sing1.51Å1.52Å
C12H121sing0.98Å1.11Å
C12H122sing0.98Å1.11Å
C13N14sing1.47Å1.48Å
C13H131sing0.98Å1.12Å
C13H132sing0.98Å1.12Å
N14H14sing0.93Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4CU1N784.8°85.5°
N4CU1N11179.0°180.0°
N4CU1N1494.7°94.5°
CU1N4C3116.3°114.8°
CU1N4C5108.3°106.5°
CU1N4HN4106.1°104.8°
N7CU1N1194.3°94.6°
N7CU1N14179.2°179.9°
CU1N7C6107.2°106.5°
CU1N7C8118.8°114.8°
CU1N7HN7105.0°104.8°
N11CU1N1486.2°85.5°
CU1N11C10114.1°114.8°
CU1N11C12108.8°106.4°
CU1N11H11108.6°104.8°
CU1N14C1114.5°114.8°
CU1N14C13107.3°106.5°
CU1N14H14108.2°104.8°
C2C1N14112.3°112.7°
C2C1H11A111.2°108.7°
C2C1H12111.2°109.3°
C1C2C3113.5°115.5°
C1C2H21110.7°108.5°
C1C2H22110.7°108.6°
N14C1H11A111.2°109.2°
N14C1H12111.2°109.3°
C1N14C13111.4°114.4°
C1N14H14103.9°108.8°
H11AC1H1299.2°107.5°
C3C2H21110.7°108.6°
C3C2H22110.7°108.6°
C2C3N4108.8°112.7°
C2C3H31112.4°109.2°
C2C3H32112.4°108.7°
H21C2H2299.6°106.7°
N4C3H31112.4°109.3°
N4C3H32112.4°109.3°
C3N4C5111.2°114.3°
C3N4HN4102.9°108.7°
H31C3H3298.0°107.5°
C5N4HN4111.9°107.0°
N4C5C6108.0°111.3°
N4C5H51112.8°110.1°
N4C5H52112.8°109.4°
C6C5H51112.8°108.9°
C6C5H52112.7°109.2°
C5C6N7109.3°111.2°
C5C6H61112.3°109.2°
C5C6H62112.3°108.8°
H51C5H5297.7°107.9°
N7C6H61112.3°109.4°
N7C6H62112.3°110.1°
C6N7C8110.6°114.3°
C6N7HN7114.1°107.0°
H61C6H6298.1°108.1°
C8N7HN7101.1°108.7°
N7C8C9109.6°112.7°
N7C8H81112.2°109.2°
N7C8H82112.2°109.4°
C9C8H81112.2°108.8°
C9C8H82112.1°109.2°
C8C9C10114.8°115.5°
C8C9H91110.2°108.6°
C8C9H92110.2°108.6°
H81C8H8298.3°107.5°
C10C9H91110.3°108.6°
C10C9H92110.3°108.6°
C9C10N11110.3°112.7°
C9C10H101111.9°108.8°
C9C10H102111.9°109.2°
H91C9H92100.0°106.6°
N11C10H101111.9°109.2°
N11C10H102111.9°109.4°
C10N11C12114.3°114.3°
C10N11H11102.3°108.7°
H101C10H10298.5°107.5°
C12N11H11108.4°107.1°
N11C12C13108.7°111.2°
N11C12H121112.5°109.5°
N11C12H122112.5°110.1°
C13C12H121112.5°109.2°
C13C12H122112.5°108.8°
C12C13N14109.9°111.2°
C12C13H131112.1°108.8°
C12C13H132112.1°109.2°
H121C12H12297.9°107.9°
N14C13H131112.1°110.1°
N14C13H132112.1°109.5°
C13N14H14111.5°107.0°
H131C13H13298.3°108.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4CU1N7N11179.5°180.0°
N4CU1N7N1452.3°29.7°
N4CU1N11N14150.7°50.7°
N4CU1N14C139.8°39.8°
CU1N4C3C259.4°56.9°
CU1N4C3C5124.5°123.5°
CU1N4C3HN4115.6°117.0°
CU1N4C3H3165.8°64.8°
CU1N4C3H32175.4°177.9°
CU1N4C5HN4116.6°111.7°
CU1N4C5C636.8°36.2°
CU1N4C5H5188.5°84.6°
CU1N4C5H52162.0°157.0°
N4CU1N7C616.6°12.9°
N4CU1N7C8142.8°140.5°
N4CU1N7HN7105.1°100.3°
N4CU1N11C1069.7°89.8°
N4CU1N11C12161.4°37.8°
N4CU1N11H1143.6°151.0°
N4CU1N14C13164.0°167.4°
N4CU1N14H1475.5°79.4°
N7CU1N11N14179.4°180.0°
N7CU1N14C112.4°69.5°
N7CU1N4C3137.4°140.2°
N7CU1N4C511.5°12.6°
N7CU1N4HN4108.8°100.6°
CU1N7C6C541.7°36.4°
CU1N7C6C8131.0°127.9°
CU1N7C6HN7115.8°111.6°
CU1N7C6H61167.0°157.2°
CU1N7C6H6283.6°84.2°
CU1N7C8HN7114.1°117.0°
CU1N7C8C952.4°56.7°
CU1N7C8H81177.6°177.7°
CU1N7C8H8272.9°64.9°
N7CU1N11C1041.1°39.5°
N7CU1N11C12170.0°167.1°
N7CU1N11H1172.2°79.7°
N7CU1N14C13111.8°162.9°
N7CU1N14H14127.7°49.7°
N11CU1N14C1139.7°140.2°
N11CU1N4C3108.8°90.5°
N11CU1N4C517.2°141.9°
N11CU1N4HN4137.5°28.7°
N11CU1N7C6163.9°167.1°
N11CU1N7C837.7°39.5°
N11CU1N7HN774.4°79.7°
CU1N11C10C962.1°56.7°
CU1N11C10C12126.0°123.5°
CU1N11C10H11117.0°117.0°
CU1N11C10H101172.7°177.7°
CU1N11C10H10263.2°65.0°
CU1N11C12H11117.9°111.7°
CU1N11C12C1334.2°36.4°
CU1N11C12H121159.5°157.2°
CU1N11C12H12291.0°84.3°
N11CU1N14C1315.5°12.6°
N11CU1N14H14105.0°100.5°
CU1N14C1C258.0°56.9°
CU1N14C1C13122.0°123.5°
CU1N14C1H14117.8°117.0°
CU1N14C1H11A176.7°177.8°
CU1N14C1H1267.2°64.8°
N14CU1N4C341.9°39.8°
N14CU1N4C5167.9°167.4°
N14CU1N4HN471.8°79.4°
N14CU1N7C668.8°16.8°
N14CU1N7C8164.9°110.8°
N14CU1N7HN752.9°130.0°
N14CU1N11C10139.5°140.5°
N14CU1N11C1210.7°12.9°
N14CU1N11H11107.1°100.3°
CU1N14C13C1238.6°36.2°
CU1N14C13H14118.4°111.6°
CU1N14C13H13186.6°84.5°
CU1N14C13H132163.9°157.0°
C2C1N14H11A125.3°120.9°
C2C1N14H12125.2°121.7°
C2C1H11AH12117.1°118.2°
C1C2C3H21125.3°122.1°
C1C2C3H22125.2°122.2°
C1C2H21H22116.6°116.8°
C1C2C3N472.9°70.9°
C1C2C3H3152.3°50.8°
C1C2C3H32161.8°167.8°
C2C1N14C13180.0°179.6°
C2C1N14H1459.8°60.1°
N14C1H11AH12117.1°118.5°
N14C1C2C373.9°71.0°
N14C1C2H21160.8°166.9°
N14C1C2H2251.3°51.2°
C1N14C13C12164.7°164.1°
C1N14C13H14115.6°120.5°
C1N14C13H13139.4°43.3°
C1N14C13H13270.1°75.2°
H11AC1C2C3160.8°167.9°
H11AC1C2H2135.5°45.7°
H11AC1C2H2274.0°69.9°
H11AC1N14C1354.7°58.6°
H11AC1N14H1465.5°60.8°
H12C1C2C351.3°50.8°
H12C1C2H2174.0°71.4°
H12C1C2H22176.6°173.0°
H12C1N14C1354.8°58.7°
H12C1N14H14175.0°178.2°
C3C2H21H22116.6°116.9°
C2C3N4H31125.3°121.6°
C2C3N4H32125.2°121.0°
C2C3H31H32118.4°117.8°
C2C3N4C5176.1°179.6°
C2C3N4HN456.2°60.1°
H21C2C3N4161.8°166.9°
H21C2C3H3172.9°71.3°
H21C2C3H3236.6°45.6°
H22C2C3N452.3°51.3°
H22C2C3H31177.6°173.0°
H22C2C3H3272.9°70.0°
N4C3H31H32118.4°118.5°
C3N4C5HN4114.4°120.4°
C3N4C5C6165.7°164.1°
C3N4C5H5140.4°43.3°
C3N4C5H5269.0°75.1°
H31C3N4C558.6°58.8°
H31C3N4HN4178.6°178.3°
H32C3N4C550.9°58.6°
H32C3N4HN469.1°60.9°
N4C5C6H51125.3°121.5°
N4C5C6H52125.3°120.9°
N4C5H51H52118.7°119.4°
N4C5C6N752.9°50.5°
N4C5C6H61178.1°171.4°
N4C5C6H6272.4°70.9°
HN4N4C5C679.8°75.4°
HN4N4C5H51154.9°163.8°
HN4N4C5H5245.4°45.3°
C6C5H51H52118.6°118.4°
C5C6N7H61125.3°120.7°
C5C6N7H62125.3°120.7°
C5C6H61H62118.2°118.2°
C5C6N7C8172.7°164.3°
C5C6N7HN774.1°75.2°
H51C5C6N772.4°71.0°
H51C5C6H6152.8°49.9°
H51C5C6H62162.3°167.6°
H52C5C6N7178.2°171.4°
H52C5C6H6156.6°67.7°
H52C5C6H6252.9°50.0°
N7C6H61H62118.2°119.8°
C6N7C8HN7121.3°119.5°
C6N7C8C9177.0°179.8°
C6N7C8H8157.8°58.8°
C6N7C8H8251.7°58.6°
H61C6N7C862.1°74.9°
H61C6N7HN751.2°45.5°
H62C6N7C847.4°43.7°
H62C6N7HN7160.6°164.1°
N7C8C9H81125.3°121.3°
N7C8C9H82125.3°121.7°
N7C8H81H82118.1°118.5°
N7C8C9C1069.4°71.0°
N7C8C9H9155.9°51.2°
N7C8C9H92165.3°166.8°
HN7N7C8C961.8°60.3°
HN7N7C8H8163.5°60.7°
HN7N7C8H82173.0°178.1°
C9C8H81H82118.1°118.1°
C8C9C10H91125.3°122.2°
C8C9C10H92125.3°122.2°
C8C9H91H92116.1°116.8°
C8C9C10N1176.9°71.0°
C8C9C10H101157.9°167.8°
C8C9C10H10248.4°50.8°
H81C8C9C10165.3°167.7°
H81C8C9H9169.4°70.1°
H81C8C9H9240.1°45.5°
H82C8C9C1055.9°50.7°
H82C8C9H91178.9°172.9°
H82C8C9H9269.4°71.5°
C10C9H91H92116.1°116.8°
C9C10N11H101125.2°121.0°
C9C10N11H102125.3°121.7°
C9C10H101H102117.8°118.1°
C9C10N11C12171.9°179.8°
C9C10N11H1154.9°60.3°
H91C9C10N1148.4°51.2°
H91C9C10H10176.9°70.0°
H91C9C10H102173.6°173.0°
H92C9C10N11157.9°166.8°
H92C9C10H10132.6°45.6°
H92C9C10H10276.9°71.4°
N11C10H101H102117.8°118.5°
C10N11C12H11113.3°120.4°
C10N11C12C13163.0°164.3°
C10N11C12H12171.7°74.9°
C10N11C12H12237.8°43.6°
H101C10N11C1246.6°58.8°
H101C10N11H1170.3°60.7°
H102C10N11C1262.9°58.5°
H102C10N11H11179.8°178.0°
N11C12C13H121125.3°120.9°
N11C12C13H122125.3°121.5°
N11C12H121H122118.4°119.9°
N11C12C13N1448.9°50.5°
N11C12C13H13176.3°70.9°
N11C12C13H132174.2°171.4°
H11N11C12C1383.7°75.3°
H11N11C12H12141.6°45.5°
H11N11C12H122151.1°164.0°
C13C12H121H122118.4°118.2°
C12C13N14H131125.3°120.7°
C12C13N14H132125.3°120.8°
C12C13H131H132118.0°118.4°
C12C13N14H1479.8°75.5°
H121C12C13N14174.2°171.4°
H121C12C13H13149.0°50.0°
H121C12C13H13260.5°67.7°
H122C12C13N1476.3°71.0°
H122C12C13H131158.4°167.6°
H122C12C13H13248.9°49.9°
N14C13H131H132118.0°119.4°
H131C13N14H14155.0°163.8°
H132C13N14H1445.5°45.3°

258009

PDB entries from 2026-08-12

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