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MER

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O6doub1.21Å1.20Å
C1C3sing1.51Å1.50Å
C1H1sing1.08Å1.08Å
C5C2doub1.35Å1.33Å
C2C18sing1.51Å1.50Å
C2S14sing1.76Å1.69Å
C4C3sing1.53Å1.55Å
C3C7sing1.53Å1.55Å
C3H3sing1.09Å1.10Å
N10C4sing1.47Å1.46Å
C4C18sing1.54Å1.55Å
C4H4sing1.09Å1.10Å
C11C5sing1.41Å1.48Å
N10C5sing1.40Å1.26Å
O8C7sing1.43Å1.42Å
C7C9sing1.53Å1.52Å
C7H7sing1.09Å1.10Å
O8HO8sing0.97Å0.95Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C9H9Bsing1.09Å1.10Å
N10HN10sing0.97Å1.00Å
O13C11doub1.22Å1.25Å
C11O12sing1.35Å1.27Å
O12HO12sing0.97Å0.95Å
S14C15sing1.81Å1.77Å
C16C15sing1.55Å1.53Å
C15C21sing1.54Å1.54Å
C15H15sing1.09Å1.10Å
C16C17sing1.55Å1.54Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C22C17sing1.51Å1.51Å
C17N19sing1.48Å1.45Å
C17H17sing1.09Å1.10Å
C18C20sing1.53Å1.53Å
C18H18sing1.09Å1.10Å
N19C21sing1.47Å1.46Å
N19HN19sing1.01Å1.00Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C20H20Bsing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
N23C22sing1.35Å1.35Å
O24C22doub1.21Å1.23Å
C25N23sing1.46Å1.46Å
N23C26sing1.46Å1.46Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O6C1C3117.8°120.0°
O6C1H1121.1°119.9°
C3C1H1121.1°120.0°
C1C3C4112.4°109.5°
C1C3C7106.0°109.5°
C1C3H3104.7°109.4°
C5C2C18109.5°108.8°
C5C2S14127.0°125.6°
C2C5C11129.5°123.6°
C2C5N10109.2°112.7°
C18C2S14123.5°125.6°
C2C18C4104.3°104.6°
C2C18C20106.2°110.5°
C2C18H18109.3°110.4°
C2S14C15117.7°100.0°
C4C3C7123.4°109.5°
C4C3H3104.3°109.5°
C3C4N10101.9°110.4°
C3C4C18117.8°110.4°
C3C4H4112.5°110.4°
C7C3H3104.3°109.5°
C3C7O8112.6°109.5°
C3C7C9117.7°109.5°
C3C7H7104.6°109.5°
N10C4C1896.7°104.6°
N10C4H4113.9°110.5°
C4N10C5118.1°109.2°
C4N10HN10107.3°125.4°
C18C4H4112.5°110.4°
C4C18C20119.2°110.7°
C4C18H18108.6°110.2°
C11C5N10121.3°123.7°
C5C11O13116.5°120.0°
C5C11O12121.6°120.0°
C5N10HN10107.3°125.4°
O8C7C9110.1°109.4°
O8C7H7105.9°109.4°
C7O8HO8109.5°114.0°
C9C7H7104.9°109.5°
C7C9H9109.5°109.5°
C7C9H9A109.5°109.5°
C7C9H9B109.5°109.4°
H9C9H9A109.5°109.6°
H9C9H9B109.4°109.4°
H9AC9H9B109.4°109.5°
O13C11O12121.9°120.0°
C11O12HO12109.5°114.0°
S14C15C16111.6°110.7°
S14C15C21113.2°110.7°
S14C15H15107.1°110.6°
C16C15C21105.4°103.0°
C16C15H15109.9°110.9°
C15C16C17103.7°101.7°
C15C16H16110.9°111.0°
C15C16H16A110.9°111.0°
C21C15H15109.7°110.7°
C15C21N19105.1°107.3°
C15C21H21110.6°109.9°
C15C21H21A110.6°109.9°
C17C16H16110.9°111.0°
C17C16H16A110.9°110.9°
C16C17C22112.6°110.4°
C16C17N19104.2°104.8°
C16C17H17107.5°110.3°
H16C16H16A109.4°110.9°
C22C17N19116.0°110.4°
C22C17H17107.7°110.4°
C17C22N23117.8°120.0°
C17C22O24118.6°120.0°
N19C17H17108.5°110.4°
C17N19C21112.2°108.5°
C17N19HN19108.8°111.0°
C20C18H18108.9°110.5°
C18C20H20109.5°109.5°
C18C20H20A109.4°109.5°
C18C20H20B109.5°109.4°
C21N19HN19108.8°111.0°
N19C21H21110.5°109.9°
N19C21H21A110.6°109.9°
H20C20H20A109.5°109.5°
H20C20H20B109.5°109.5°
H20AC20H20B109.5°109.5°
H21C21H21A109.5°110.0°
N23C22O24123.6°120.0°
C22N23C25122.6°120.0°
C22N23C26124.5°120.0°
C25N23C26112.9°120.0°
N23C25H25109.5°109.5°
N23C25H25A109.5°109.5°
N23C25H25B109.5°109.5°
N23C26H26109.5°109.5°
N23C26H26A109.4°109.5°
N23C26H26B109.5°109.5°
H25C25H25A109.5°109.4°
H25C25H25B109.5°109.5°
H25AC25H25B109.5°109.4°
H26C26H26A109.5°109.5°
H26C26H26B109.5°109.4°
H26AC26H26B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O6C1C3H1180.0°179.7°
O6C1C3C4129.4°128.2°
O6C1C3C793.0°111.8°
O6C1C3H316.9°8.2°
C1C3C4C7129.0°120.0°
C1C3C4H3112.8°120.0°
C1C3C7H3110.2°119.9°
C1C3C4N1030.4°48.2°
C1C3C4C18134.6°67.0°
C1C3C4H492.1°170.7°
C1C3C7O827.3°180.0°
C1C3C7C9156.9°60.0°
C1C3C7H787.3°60.0°
H1C1C3C450.6°52.1°
H1C1C3C786.9°67.9°
H1C1C3H3163.2°172.2°
C5C2C18S14178.6°179.8°
C2C5N10C414.2°0.1°
C5C2C18C44.9°0.0°
C2C5C11N10177.4°180.0°
C2C5N10HN10135.4°179.9°
C2C5C11O13121.7°5.2°
C2C5C11O1259.2°174.7°
C5C2S14C15108.7°117.6°
C5C2C18C20131.6°119.0°
C5C2C18H18111.1°118.5°
C2C18C4C396.5°118.8°
C2C18C4N1010.8°0.1°
C2C18C4C20118.2°118.9°
C2C18C4H18116.5°118.6°
C2C18C4H4130.1°118.9°
C18C2C5C11172.9°180.0°
C18C2C5N104.8°0.0°
C18C2S14C1572.9°62.2°
C2C18C20H18117.6°122.4°
C2C18C20H20180.0°75.5°
C2C18C20H20A60.0°164.5°
C2C18C20H20B60.0°44.5°
S14C2C18C4173.8°179.7°
S14C2C5C115.7°0.2°
S14C2C5N10176.7°179.8°
C2S14C15C1630.9°179.9°
C2S14C15C2187.8°66.5°
C2S14C15H15151.1°56.6°
S14C2C18C2047.0°61.2°
S14C2C18H1870.3°61.3°
C4C3C7H3118.2°120.0°
C3C4N10C18120.3°118.7°
C3C4N10H4121.5°122.4°
C3C4C18H4133.3°122.3°
C3C4N10C5104.4°118.8°
C4C3C7O8104.3°60.0°
C4C3C7C925.3°180.0°
C4C3C7H7141.1°60.0°
C3C4N10HN1016.8°61.3°
C3C4C18C2021.7°0.1°
C3C4C18H18147.0°122.6°
C7C3C4N10159.3°71.8°
C7C3C4C1896.4°173.1°
C7C3C4H436.9°50.7°
C3C7O8C9133.5°120.0°
C3C7O8H7113.7°120.0°
C3C7C9H7115.7°120.0°
C3C7O8HO8180.0°60.0°
C3C7C9H9180.0°59.9°
C3C7C9H9A60.0°180.0°
C3C7C9H9B60.0°60.0°
H3C3C4N1082.5°168.2°
H3C3C4C1821.8°53.0°
H3C3C4H4155.1°69.3°
H3C3C7O8137.5°60.1°
H3C3C7C992.8°59.9°
H3C3C7H723.0°180.0°
N10C4C18H4119.4°118.9°
C4N10C5C11163.7°179.9°
C4N10C5HN10121.2°179.9°
N10C4C18C20129.0°118.9°
N10C4C18H18105.7°118.7°
C18C4N10C515.9°0.1°
C18C4N10HN10137.1°179.9°
C4C18C20H18125.1°122.3°
C4C18C20H2062.8°169.2°
C4C18C20H20A57.2°49.2°
C4C18C20H20B177.2°70.8°
H4C4N10C5134.1°118.8°
H4C4N10HN10104.6°61.1°
H4C4C18C20111.7°122.2°
H4C4C18H1813.6°0.3°
C11C5N10HN1042.5°0.1°
C5C11O13O12179.1°180.0°
C5C11O12HO12179.0°180.0°
N10C5C11O1360.9°174.8°
N10C5C11O12118.3°5.3°
O8C7C9H7113.5°120.0°
O8C7C9H949.1°60.1°
O8C7C9H9A169.2°60.0°
O8C7C9H9B70.9°180.0°
C9C7O8HO846.5°60.0°
C7C9H9H9A120.0°120.0°
C7C9H9H9B120.0°119.9°
C7C9H9AH9B120.0°119.9°
H7C7O8HO866.3°179.9°
H7C7C9H964.3°180.0°
H7C7C9H9A55.7°59.9°
H7C7C9H9B175.7°60.0°
H9C9H9AH9B119.9°120.0°
O13C11O12HO120.0°0.1°
S14C15C16C21123.2°118.4°
S14C15C16H15118.6°123.1°
S14C15C21H15119.6°123.0°
S14C15C16C17151.6°154.0°
S14C15C16H1689.3°87.8°
S14C15C16H16A32.5°36.0°
S14C15C21N19138.0°140.7°
S14C15C21H2118.7°21.3°
S14C15C21H21A102.7°99.9°
C16C15C21H15118.3°118.6°
C15C16C17H16119.1°118.2°
C15C16C17H16A119.1°118.1°
C15C16H16H16A122.7°123.9°
C15C16C17C22156.8°155.9°
C15C16C17N1930.3°37.0°
C15C16C17H1784.7°81.8°
C16C15C21N1915.8°22.3°
C16C15C21H21103.4°97.2°
C16C15C21H21A135.2°141.7°
C21C15C16C1728.3°35.6°
C21C15C16H16147.4°153.7°
C21C15C16H16A90.8°82.4°
C15C21N19C173.8°1.0°
C15C21N19H21119.3°119.4°
C15C21N19H21A119.3°119.4°
C15C21N19HN19124.2°123.2°
C15C21H21H21A122.0°121.1°
H15C15C16C1789.8°82.8°
H15C15C16H1629.2°35.3°
H15C15C16H16A151.1°159.1°
H15C15C21N19102.4°96.3°
H15C15C21H21138.3°144.3°
H15C15C21H21A16.9°23.1°
C17C16H16H16A122.7°123.8°
C16C17C22N19119.9°115.4°
C16C17C22H17118.3°122.3°
C16C17N19H17114.3°118.8°
C16C17N19C2121.7°24.1°
C16C17N19HN19142.1°146.3°
C16C17C22N23118.2°80.0°
C16C17C22O2461.1°100.0°
H16C16C17C2284.1°86.0°
H16C16C17N19149.4°155.2°
H16C16C17H1734.4°36.4°
H16AC16C17C2237.7°37.8°
H16AC16C17N1988.8°81.1°
H16AC16C17H17156.2°160.1°
C22C17N19H17121.4°122.4°
C22C17N19C21146.0°142.9°
C22C17N19HN1993.6°94.8°
C17C22N23O24179.2°180.0°
C17C22N23C25179.7°0.0°
C17C22N23C260.5°180.0°
C17N19C21HN19120.4°122.2°
C17N19C21H21123.1°120.4°
C17N19C21H21A115.5°118.4°
N19C17C22N23121.9°164.6°
N19C17C22O2458.8°15.4°
H17C17N19C2192.6°94.7°
H17C17N19HN1927.8°27.6°
H17C17C22N230.1°42.3°
H17C17C22O24179.4°137.7°
C18C20H20H20A120.0°120.0°
C18C20H20H20B120.0°120.0°
C18C20H20AH20B120.0°120.0°
H18C18C20H2062.3°46.9°
H18C18C20H20A177.7°73.1°
H18C18C20H20B57.6°166.9°
N19C21H21H21A122.0°121.1°
HN19N19C21H21116.5°117.4°
HN19N19C21H21A4.9°3.8°
H20C20H20AH20B120.0°120.0°
C22N23C25C26179.8°180.0°
C22N23C25H25180.0°90.0°
C22N23C25H25A60.0°150.0°
C22N23C25H25B60.0°30.0°
C22N23C26H26180.0°90.0°
C22N23C26H26A60.0°150.0°
C22N23C26H26B60.0°30.0°
O24C22N23C250.5°180.0°
O24C22N23C26179.7°0.0°
N23C25H25H25A120.0°120.0°
N23C25H25H25B120.0°120.0°
N23C25H25AH25B120.0°120.0°
C25N23C26H260.2°90.0°
C25N23C26H26A119.8°30.0°
C25N23C26H26B120.2°150.0°
C26N23C25H250.2°90.0°
C26N23C25H25A120.2°30.0°
C26N23C25H25B119.8°150.0°
N23C26H26H26A120.0°120.1°
N23C26H26H26B120.0°120.0°
N23C26H26AH26B120.0°120.0°
H25C25H25AH25B120.0°120.0°
H26C26H26AH26B120.0°119.9°

221716

PDB entries from 2024-06-26

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