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Obsolete: FRO

FRO was replaced with FPM on
Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C9sing1.55Å1.55Å
C8C7sing1.55Å1.54Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C9C10sing1.54Å1.55Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C10O11sing1.44Å1.45Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
O11C7sing1.44Å1.48Å
C7C5sing1.51Å1.55Å
C7H7sing1.09Å1.10Å
C5S6sing1.77Å1.72Å
C5C4doub1.35Å1.42Å
S6C2sing1.82Å1.82Å
C4C12sing1.41Å1.56Å
C4N3sing1.39Å1.35Å
C12O13sing1.33Å1.26Å
C12O14doub1.33Å1.26Å
N3C2sing1.47Å1.47Å
N3C15sing1.35Å2.88Å
C2C1sing1.53Å1.51Å
C2H2sing1.09Å1.10Å
C1C15sing1.51Å1.54Å
C1C17sing1.53Å1.56Å
C1H1sing1.09Å1.10Å
C15O16doub1.21Å1.23Å
C17C18sing1.53Å1.52Å
C17O19sing1.43Å1.40Å
C17H17sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
O19H19sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C8C7103.3°102.1°
C9C8H81111.0°110.8°
C9C8H82111.0°110.9°
C8C9C10105.2°104.2°
C8C9H91110.5°110.5°
C8C9H92110.5°110.5°
C7C8H81111.0°110.9°
C7C8H82111.0°110.9°
C8C7O11102.6°103.5°
C8C7C5113.2°110.6°
C8C7H7109.3°110.6°
H81C8H82109.4°110.9°
C10C9H91110.5°110.5°
C10C9H92110.5°110.5°
C9C10O11104.1°107.3°
C9C10H101110.8°109.9°
C9C10H102110.8°109.9°
H91C9H92109.5°110.5°
O11C10H101110.8°109.9°
O11C10H102110.8°109.8°
C10O11C7104.7°107.0°
H101C10H102109.5°110.0°
O11C7C5112.2°110.6°
O11C7H7110.2°110.6°
C5C7H7109.2°110.7°
C7C5S6116.2°126.2°
C7C5C4123.9°126.2°
S6C5C4104.4°107.6°
C5S6C294.1°94.9°
C5C4C12123.2°120.4°
C5C4N3111.1°119.2°
S6C2N3102.7°104.2°
S6C2C1106.5°114.4°
S6C2H2108.6°114.0°
C12C4N3115.3°120.4°
C4C12O13118.9°120.0°
C4C12O14115.8°120.0°
C4N3C2112.9°114.0°
C4N3C15130.8°120.1°
O13C12O14123.1°120.0°
C2N3C1559.7°90.2°
N3C2C1112.3°91.0°
N3C2H2113.3°115.1°
N3C15C159.2°96.2°
N3C15O16114.7°131.8°
C1C2H2112.6°115.5°
C2C1C15109.3°82.2°
C2C1C17103.5°114.4°
C2C1H1110.8°114.4°
C15C1C17112.5°114.3°
C15C1H1110.5°114.6°
C1C15O16123.1°132.0°
C17C1H1110.1°113.4°
C1C17C18110.2°109.5°
C1C17O19111.7°109.4°
C1C17H17107.5°109.5°
C18C17O19109.8°109.5°
C18C17H17108.0°109.5°
C17C18H181109.5°109.5°
C17C18H182109.5°109.4°
C17C18H183109.5°109.5°
O19C17H17109.6°109.4°
C17O19H19109.5°114.0°
H181C18H182109.5°109.5°
H181C18H183109.5°109.5°
H182C18H183109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C8C7H81119.0°118.1°
C9C8C7H82119.0°118.2°
C9C8H81H82122.9°123.6°
C8C9C10H91119.3°118.7°
C8C9C10H92119.3°118.7°
C8C9H91H92122.0°122.7°
C8C9C10O1118.8°2.1°
C8C9C10H101100.4°117.4°
C8C9C10H102137.9°121.4°
C9C8C7O1132.0°37.0°
C9C8C7C5153.2°155.5°
C9C8C7H784.9°81.5°
C7C8H81H82122.8°123.7°
C7C8C9C108.3°20.8°
C7C8C9H91111.0°97.8°
C7C8C9H92127.6°139.5°
C8C7O11C1045.7°40.1°
C8C7O11C5121.9°118.5°
C8C7O11H7116.3°118.5°
C8C7C5H7122.0°123.0°
C8C7C5S6106.3°69.7°
C8C7C5C4122.0°110.0°
H81C8C9C10110.7°97.3°
H81C8C9H91129.9°144.0°
H81C8C9H928.6°21.4°
H81C8C7O1187.0°81.1°
H81C8C7C534.1°37.4°
H81C8C7H7156.0°160.4°
H82C8C9C10127.3°139.0°
H82C8C9H918.0°20.4°
H82C8C9H92113.4°102.2°
H82C8C7O11151.0°155.2°
H82C8C7C587.8°86.3°
H82C8C7H734.1°36.7°
C10C9H91H92122.0°122.6°
C9C10O11H101119.1°119.5°
C9C10O11H102119.1°119.4°
C9C10H101H102122.5°121.1°
C9C10O11C740.2°26.5°
H91C9C10O11138.1°120.8°
H91C9C10H10119.0°1.3°
H91C9C10H102102.7°119.9°
H92C9C10O11100.5°116.7°
H92C9C10H101140.3°123.9°
H92C9C10H10218.6°2.7°
O11C10H101H102122.5°121.0°
C10O11C7C5167.6°158.6°
C10O11C7H770.6°78.4°
H101C10O11C779.0°92.9°
H102C10O11C7159.3°145.9°
O11C7C5H7122.5°122.9°
O11C7C5S69.3°44.4°
O11C7C5C4122.5°135.9°
C7C5S6C4140.2°179.7°
C7C5S6C2165.1°179.1°
C7C5C4C1240.3°1.0°
C7C5C4N3176.5°178.9°
H7C7C5S6131.7°167.4°
H7C7C5C40.0°13.0°
S6C5C4C12176.6°178.7°
S6C5C4N340.3°1.3°
C5S6C2N35.4°2.2°
C5S6C2C1123.7°100.0°
C5S6C2H2114.8°124.1°
C4C5S6C224.8°0.7°
C5C4C12N3141.8°179.9°
C5C4C12O1374.7°6.3°
C5C4C12O14121.6°173.7°
C5C4N3C238.8°3.3°
C5C4N3C15107.8°101.9°
S6C2N3C417.3°3.3°
S6C2N3C1114.1°115.5°
S6C2N3H2117.0°125.6°
S6C2N3C15142.4°120.1°
S6C2C1H2119.0°135.3°
S6C2C1C15166.1°110.2°
S6C2C1C1773.9°136.5°
S6C2C1H144.1°3.3°
C4C12O13O14162.4°179.9°
C12C4N3C2175.0°176.8°
C12C4N3C15105.9°78.1°
N3C4C12O13143.5°173.7°
N3C4C12O1420.2°6.2°
C4N3C2C15125.1°123.4°
C4N3C2C196.8°118.8°
C4N3C2H2134.2°122.3°
C4N3C15C165.1°113.5°
C4N3C15O1650.1°66.5°
N3C2C1H2129.3°118.6°
C2N3C15C130.1°4.6°
N3C2C1C17174.4°117.3°
N3C2C1H167.6°109.4°
C2N3C15O16145.3°175.4°
C15N3C2H2100.6°114.3°
N3C15C1O16101.1°180.0°
N3C15C1C17140.8°117.8°
N3C15C1H195.7°108.8°
C2C1C15C17114.3°113.3°
C2C1C15H1122.2°113.3°
C2C1C17H1118.5°133.7°
C2C1C15O16127.6°175.5°
C2C1C17C1862.9°175.0°
C2C1C17O19174.8°65.0°
C2C1C17H1754.6°55.0°
H2C2C1C1575.0°114.5°
H2C2C1C1745.1°1.3°
H2C2C1H1163.1°132.0°
C15C1C17H1123.7°133.9°
C15C1C17C18179.3°92.6°
C15C1C17O1957.0°27.4°
C15C1C17H1763.2°147.4°
C17C1C15O16118.1°62.2°
C1C17C18O19123.4°120.0°
C1C17C18H17117.1°120.1°
C1C17O19H17119.0°120.0°
C1C17C18H181180.0°59.9°
C1C17C18H18260.0°60.1°
C1C17C18H18360.0°180.0°
C1C17O19H19180.0°180.0°
H1C1C15O165.4°71.2°
H1C1C17C1855.7°41.3°
H1C1C17O1966.7°161.3°
H1C1C17H17173.1°78.7°
C18C17O19H17118.5°120.0°
C17C18H181H182120.0°120.0°
C17C18H181H183120.0°120.0°
C17C18H182H183120.0°119.9°
C18C17O19H1957.5°60.0°
O19C17C18H18156.6°60.0°
O19C17C18H18263.4°180.0°
O19C17C18H183176.6°60.0°
H17C17C18H18162.8°180.0°
H17C17C18H182177.1°60.0°
H17C17C18H18357.2°59.9°
H17C17O19H1961.0°60.0°
H181C18H182H183120.0°120.0°

222415

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