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41M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O22C2doub1.22Å1.24Å
C2N1sing1.34Å1.38Å
C2N3sing1.34Å1.38Å
N1C4sing1.47Å1.47Å
C11C12sing1.53Å1.53Å
C11C10sing1.53Å1.53Å
C9C10sing1.53Å1.53Å
C9C8sing1.53Å1.53Å
C12C13sing1.51Å1.51Å
N3C5sing1.47Å1.46Å
C4C8sing1.54Å1.52Å
C4C5sing1.53Å1.53Å
C8S7sing1.83Å1.80Å
O23C13doub1.21Å1.24Å
S7C6sing1.84Å1.81Å
C13N14sing1.35Å1.38Å
C5C6sing1.54Å1.52Å
N14C15sing1.46Å1.48Å
C15C16sing1.53Å1.53Å
C16C17sing1.53Å1.53Å
C17C18sing1.53Å1.53Å
C18C19sing1.53Å1.53Å
C19N24sing1.47Å1.51Å
C19C20sing1.51Å1.50Å
C20N21sing1.35Å1.38Å
C20O25doub1.21Å1.24Å
N1H1sing0.97Å1.00Å
N3H2sing0.97Å1.00Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
N14H16sing0.97Å1.00Å
C15H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C18H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
N21H26sing0.97Å1.00Å
N21H27sing0.97Å1.00Å
N24H28sing1.01Å1.00Å
N24H29sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O22C2N1126.2°123.1°
O22C2N3123.8°123.1°
N1C2N3110.1°113.9°
C2N1C4110.5°109.0°
C2N1H1124.7°125.4°
C2N3C5110.8°109.0°
C2N3H2124.6°125.4°
N1C4C8113.1°109.2°
N1C4C5104.1°104.0°
C4N1H1124.7°125.5°
N1C4H3110.6°110.2°
C12C11C10111.3°109.4°
C11C12C13112.8°109.5°
C12C11H12109.0°109.5°
C12C11H13109.0°109.4°
C11C12H14108.6°109.5°
C11C12H15108.6°109.5°
C11C10C9112.2°109.4°
C11C10H10108.8°109.5°
C11C10H11108.8°109.5°
C10C11H12109.0°109.5°
C10C11H13109.0°109.5°
C10C9C8107.0°109.5°
C10C9H8110.1°109.4°
C10C9H9110.1°109.5°
C9C10H10108.8°109.4°
C9C10H11108.8°109.5°
C9C8C4114.5°110.7°
C9C8S7111.5°110.5°
C9C8H7109.5°110.8°
C8C9H8110.1°109.5°
C8C9H9110.1°109.5°
C12C13O23123.6°120.0°
C12C13N14116.2°120.0°
C13C12H14108.6°109.5°
C13C12H15108.6°109.4°
N3C5C4104.5°104.1°
N3C5C6105.5°109.2°
C5N3H2124.6°125.5°
N3C5H4112.6°110.3°
C8C4C5109.2°112.1°
C4C8S7105.0°103.0°
C8C4H3109.9°110.2°
C4C8H7109.5°110.8°
C4C5C6110.4°112.4°
C5C4H3109.7°110.8°
C4C5H4111.6°110.3°
C8S7C691.2°94.8°
S7C8H7106.4°110.7°
O23C13N14120.2°120.0°
S7C6C5106.4°102.6°
S7C6H5110.2°110.7°
S7C6H6110.3°110.9°
C13N14C15121.1°120.0°
C13N14H16119.4°119.9°
C6C5H4111.8°110.4°
C5C6H5110.2°110.8°
C5C6H6110.2°110.8°
N14C15C16111.8°109.5°
C15N14H16119.4°120.0°
N14C15H17108.9°109.4°
N14C15H18108.9°109.5°
C15C16C17110.6°109.5°
C16C15H17108.9°109.5°
C16C15H18108.9°109.5°
C15C16H19109.2°109.5°
C15C16H20109.2°109.5°
C16C17C18110.8°109.5°
C17C16H19109.2°109.4°
C17C16H20109.2°109.5°
C16C17H21109.1°109.5°
C16C17H22109.2°109.5°
C17C18C19110.8°109.5°
C18C17H21109.2°109.4°
C18C17H22109.1°109.5°
C17C18H23109.1°109.4°
C17C18H24109.1°109.5°
C18C19N24110.6°109.5°
C18C19C20109.9°109.5°
C19C18H23109.1°109.5°
C19C18H24109.1°109.5°
C18C19H25108.2°109.5°
N24C19C20110.9°109.5°
N24C19H25108.6°109.5°
C19N24H28109.5°111.0°
C19N24H29109.5°111.0°
C19C20N21116.7°120.0°
C19C20O25123.0°120.0°
C20C19H25108.6°109.4°
N21C20O25120.2°120.0°
C20N21H26120.0°119.9°
C20N21H27120.0°120.0°
H5C6H6109.5°110.8°
H8C9H9109.5°109.5°
H10C10H11109.5°109.5°
H12C11H13109.5°109.5°
H14C12H15109.4°109.5°
H17C15H18109.5°109.4°
H19C16H20109.5°109.4°
H21C17H22109.5°109.4°
H23C18H24109.5°109.4°
H26N21H27120.0°120.1°
H28N24H29109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O22C2N1N3179.9°180.0°
O22C2N1C4179.3°180.0°
O22C2N3C5179.7°180.0°
O22C2N1H10.6°0.3°
O22C2N3H20.3°0.0°
C2N1C4H1180.0°179.7°
N1C2N3C50.4°0.0°
C2N1C4C8119.6°119.9°
C2N1C4C51.2°0.0°
N1C2N3H2179.6°180.0°
C2N1C4H3116.6°118.8°
N3C2N1C40.5°0.0°
C2N3C5H2180.0°179.9°
C2N3C5C41.1°0.0°
C2N3C5C6115.3°120.2°
N3C2N1H1179.5°179.7°
C2N3C5H4122.5°118.3°
N1C4C8C941.1°28.0°
N1C4C5N31.4°0.0°
N1C4C8C5115.4°114.8°
N1C4C8H3124.1°121.3°
N1C4C5H3118.4°118.4°
N1C4C8S781.5°90.2°
N1C4C5C6111.7°118.0°
N1C4C5H4123.4°118.3°
N1C4C8H7164.5°151.4°
C12C11C10H12120.3°120.0°
C12C11C10H13120.3°119.9°
C12C11C10C9136.0°180.0°
C11C12C13H14120.5°120.0°
C11C12C13H15120.5°120.0°
C11C12C13O2346.0°0.0°
C11C12C13N14134.1°180.0°
C12C11C10H1015.6°60.0°
C12C11C10H11103.6°60.0°
C12C11H12H13119.2°120.0°
C11C12H14H15118.5°120.0°
C11C10C9H10120.4°120.0°
C11C10C9H11120.4°120.0°
C11C10C9C8163.4°180.0°
C10C11C12C1362.6°180.0°
C11C10C9H876.9°60.0°
C11C10C9H943.8°60.0°
C11C10H10H11118.8°120.1°
C10C11H12H13119.1°120.1°
C10C11C12H1457.9°60.0°
C10C11C12H15176.9°60.0°
C10C9C8H8119.6°120.0°
C10C9C8H9119.6°120.0°
C10C9C8C4132.3°175.0°
C10C9C8S7108.7°71.5°
C10C9C8H78.9°51.7°
C10C9H8H9121.1°120.0°
C9C10H10H11118.7°120.0°
C9C10C11H12103.7°60.0°
C9C10C11H1315.8°60.0°
C9C8C4S7122.6°118.2°
C9C8C4H7123.4°123.3°
C9C8C4C5156.5°142.8°
C9C8S7H7119.4°123.2°
C9C8S7C6164.1°153.1°
C9C8C4H383.1°93.2°
C8C9H8H9121.2°120.0°
C8C9C10H1043.0°60.0°
C8C9C10H1176.1°60.0°
C12C13O23N14179.9°180.0°
C12C13N14C15179.8°180.0°
C13C12C11H1257.6°60.0°
C13C12C11H13177.1°60.0°
C13C12H14H15118.4°120.0°
C12C13N14H160.2°0.0°
N3C5C4C8122.4°117.9°
N3C5C4C6113.0°118.1°
N3C5C4H4122.0°118.2°
N3C5C6S793.2°90.3°
N3C5C6H4122.7°121.4°
N3C5C4H3117.0°118.4°
N3C5C6H526.3°151.4°
N3C5C6H6147.3°28.1°
C8C4C5H3120.5°123.7°
C4C8S7H7116.1°118.5°
C4C8S7C639.6°34.7°
C8C4C5C69.4°0.1°
C8C4N1H160.4°59.8°
C8C4C5H4115.5°123.8°
C4C8C9H812.7°65.0°
C4C8C9H9108.1°55.0°
C5C4C8S733.9°24.6°
C4C5C6S719.2°24.6°
C4C5C6H4124.9°123.6°
C5C4N1H1178.8°179.7°
C4C5N3H2178.9°180.0°
C4C5C6H5138.7°93.6°
C4C5C6H6100.3°143.1°
C5C4C8H780.0°93.9°
C8S7C6C534.3°34.7°
S7C8C4H3154.3°148.6°
C8S7C6H5153.8°83.6°
C8S7C6H685.2°153.0°
S7C8C9H8131.7°48.5°
S7C8C9H910.9°168.5°
O23C13N14C150.3°0.0°
O23C13C12H14166.6°120.0°
O23C13C12H1574.5°120.0°
O23C13N14H16179.7°180.0°
S7C6C5H5119.5°118.2°
S7C6C5H6119.5°118.4°
S7C6C5H4144.1°148.3°
S7C6H5H6121.4°123.5°
C6S7C8H776.5°83.8°
C13N14C15H16180.0°179.9°
C13N14C15C16174.4°180.0°
N14C13C12H1413.5°60.0°
N14C13C12H15105.4°60.0°
C13N14C15H1765.2°60.0°
C13N14C15H1854.1°59.9°
C6C5N3H264.6°59.7°
C6C5C4H3129.9°123.5°
C5C6H5H6121.4°123.3°
N14C15C16H17120.4°120.0°
N14C15C16H18120.4°120.1°
N14C15C16C1768.0°180.0°
N14C15H17H18118.9°120.0°
N14C15C16H1952.1°60.1°
N14C15C16H20171.8°59.9°
C15C16C17H19120.2°120.0°
C15C16C17H20120.2°120.1°
C15C16C17C18101.7°180.0°
C16C15N14H165.6°0.1°
C16C15H17H18118.9°120.0°
C15C16H19H20119.5°120.1°
C15C16C17H2118.5°60.0°
C15C16C17H22138.1°59.9°
C16C17C18H21120.2°120.0°
C16C17C18H22120.2°120.1°
C16C17C18C19108.2°180.0°
C17C16C15H17171.6°60.0°
C17C16C15H1852.3°59.9°
C17C16H19H20119.5°119.9°
C16C17H21H22119.4°120.0°
C16C17C18H2312.0°60.0°
C16C17C18H24131.6°59.9°
C17C18C19H23120.2°120.0°
C17C18C19H24120.2°120.1°
C17C18C19N24126.2°65.0°
C17C18C19C20111.0°175.0°
C18C17C16H19138.1°60.0°
C18C17C16H2018.5°59.9°
C18C17H21H22119.4°120.0°
C17C18H23H24119.4°119.9°
C17C18C19H257.4°55.0°
C18C19N24C20122.2°120.0°
C18C19N24H25118.6°120.0°
C18C19C20H25118.2°120.0°
C18C19C20N2198.6°80.0°
C18C19C20O2580.8°100.0°
C19C18C17H21131.6°60.0°
C19C18C17H2212.0°59.9°
C19C18H23H24119.4°120.0°
C18C19N24H28180.0°176.0°
C18C19N24H2960.0°60.0°
N24C19C20H25119.2°120.0°
N24C19C20N21138.8°159.9°
N24C19C20O2541.8°20.0°
N24C19C18H23113.6°175.0°
N24C19C18H246.0°55.0°
C19N24H28H29120.0°124.0°
C19C20N21O25179.4°179.9°
C20C19C18H239.2°55.0°
C20C19C18H24128.8°65.0°
C19C20N21H26179.4°0.0°
C19C20N21H270.6°180.0°
C20C19N24H2857.8°64.0°
C20C19N24H2962.2°60.0°
N21C20C19H2519.6°40.0°
C20N21H26H27180.0°179.9°
O25C20C19H25161.0°140.0°
O25C20N21H260.0°180.0°
O25C20N21H27180.0°0.1°
H1N1C4H363.4°61.5°
H2N3C5H457.5°61.8°
H3C4C5H45.0°0.2°
H3C4C8H740.4°30.1°
H4C5C6H596.4°30.0°
H4C5C6H624.5°93.3°
H7C8C9H8110.8°171.6°
H7C8C9H9128.5°68.3°
H8C9C10H10162.7°180.0°
H8C9C10H1143.5°60.0°
H9C9C10H1076.6°60.0°
H9C9C10H11164.2°180.0°
H10C10C11H12135.9°180.0°
H10C10C11H13104.7°59.9°
H11C10C11H1216.7°60.0°
H11C10C11H13136.1°180.0°
H12C11C12H14178.1°180.0°
H12C11C12H1562.9°60.0°
H13C11C12H1462.4°60.0°
H13C11C12H1556.6°180.0°
H16N14C15H17114.8°120.1°
H16N14C15H18125.9°120.0°
H17C15C16H1968.2°180.0°
H17C15C16H2051.5°60.0°
H18C15C16H19172.5°60.0°
H18C15C16H2067.8°180.0°
H19C16C17H21101.6°180.0°
H19C16C17H2218.0°60.1°
H20C16C17H21138.7°60.0°
H20C16C17H22101.7°180.0°
H21C17C18H23108.2°180.0°
H21C17C18H2411.4°60.1°
H22C17C18H23132.2°60.0°
H22C17C18H24108.2°180.0°
H23C18C19H25127.6°65.0°
H24C18C19H25112.8°175.0°
H25C19N24H2861.5°56.0°
H25C19N24H29178.6°180.0°

222926

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