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784

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O18C11doub1.21Å1.22Å
C11N12sing1.34Å1.42Å
C11C5sing1.51Å1.50Å
N12C19sing1.46Å1.49Å
N12C6sing1.34Å1.42Å
C19C21sing1.53Å1.53Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.12Å
C21C23sing1.53Å1.53Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.12Å
C23N29sing1.47Å1.48Å
C23H231sing1.09Å1.12Å
C23H232sing1.09Å1.11Å
N29C32sing1.47Å1.47Å
N29C31sing1.47Å1.47Å
N29C30sing1.47Å1.47Å
C32H321sing1.09Å1.12Å
C32H322sing1.09Å1.11Å
C32H323sing1.09Å1.12Å
C31H311sing1.09Å1.12Å
C31H312sing1.09Å1.11Å
C31H313sing1.09Å1.12Å
C30H301sing1.09Å1.11Å
C30H302sing1.09Å1.12Å
C30H303sing1.09Å1.12Å
C5C2sing1.55Å1.52Å
C5C7sing1.54Å1.52Å
C5H5sing1.09Å1.12Å
C2C6sing1.51Å1.51Å
C2C1sing1.54Å1.54Å
C2H2sing1.09Å1.12Å
C6O13doub1.21Å1.21Å
C7C14sing1.54Å1.53Å
C7N3sing1.49Å1.48Å
C7H7sing1.09Å1.11Å
C14C15sing1.54Å1.52Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
C15C8sing1.54Å1.53Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C8N3sing1.49Å1.48Å
C8H8C1sing1.09Å1.11Å
C8H8C2sing1.09Å1.12Å
N3C1sing1.48Å1.48Å
C1C4sing1.51Å1.49Å
C1H1sing1.09Å1.12Å
C4C10doub1.38Å1.40ÅAromatic
C4C9sing1.38Å1.40ÅAromatic
C10C17sing1.38Å1.40ÅAromatic
C10H10sing1.08Å1.10Å
C17C20doub1.39Å1.40ÅAromatic
C17H17sing1.08Å1.10Å
C20C22sing1.48Å1.50Å
C20C16sing1.39Å1.40ÅAromatic
C22N25doub1.30Å1.28Å
C22N24sing1.38Å1.32Å
N25H25sing0.97Å1.02Å
N24H241sing0.97Å1.02Å
N24H242sing0.97Å1.02Å
C16C9doub1.38Å1.40ÅAromatic
C16H16sing1.08Å1.10Å
C9H9sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O18C11N12123.9°125.3°
O18C11C5122.8°125.3°
N12C11C5113.3°109.4°
C11N12C19117.2°122.7°
C11N12C6101.0°114.5°
C11C5C2103.2°103.4°
C11C5C7108.1°109.2°
C11C5H5112.8°112.7°
C19N12C6117.1°122.8°
N12C19C21116.7°109.5°
N12C19H191109.6°109.5°
N12C19H192109.6°109.4°
N12C6C2114.9°109.4°
N12C6O13121.0°125.3°
C21C19H191109.6°109.4°
C21C19H192109.6°109.5°
C19C21C23109.6°109.5°
C19C21H211112.2°109.4°
C19C21H212112.1°109.5°
H191C19H192100.6°109.5°
C23C21H211112.2°109.4°
C23C21H212112.2°109.5°
C21C23N29116.8°109.5°
C21C23H231109.6°109.5°
C21C23H232109.6°109.5°
H211C21H21298.3°109.5°
N29C23H231109.6°109.5°
N29C23H232109.6°109.5°
C23N29C32112.7°109.5°
C23N29C31107.1°109.5°
C23N29C30111.6°109.5°
H231C23H232100.6°109.5°
C32N29C31107.8°109.5°
C32N29C30108.5°109.5°
N29C32H321112.7°109.5°
N29C32H322111.0°109.5°
N29C32H323111.0°109.5°
C31N29C30109.0°109.5°
N29C31H311107.1°109.5°
N29C31H312113.1°109.5°
N29C31H313113.1°109.5°
N29C30H301111.6°109.4°
N29C30H302111.4°109.4°
N29C30H303111.4°109.4°
H321C32H322111.0°109.4°
H321C32H323111.0°109.4°
H322C32H32399.4°109.5°
H311C31H312113.1°109.5°
H311C31H313113.1°109.5°
H312C31H31397.4°109.4°
H301C30H302111.5°109.5°
H301C30H303111.4°109.5°
H302C30H30398.9°109.5°
C2C5C7106.6°105.7°
C2C5H5112.8°112.8°
C5C2C6102.0°103.4°
C5C2C1103.8°104.0°
C5C2H2111.4°113.4°
C7C5H5112.8°112.5°
C5C7C14114.2°108.6°
C5C7N3107.3°104.6°
C5C7H7108.9°112.5°
C6C2C1116.1°109.4°
C6C2H2111.4°113.4°
C2C6O13124.1°125.3°
C1C2H2111.4°112.6°
C2C1N3105.1°105.9°
C2C1C4116.1°110.5°
C2C1H1106.5°109.4°
C14C7N3108.5°105.6°
C14C7H7108.9°112.5°
C7C14C15105.9°105.6°
C7C14H141113.5°110.2°
C7C14H142113.5°110.2°
N3C7H7108.9°112.5°
C7N3C8107.5°104.7°
C7N3C1106.1°103.8°
C15C14H141113.5°110.2°
C15C14H142113.5°110.2°
C14C15C8106.6°105.1°
C14C15H151113.3°110.3°
C14C15H152113.3°110.3°
H141C14H14296.9°110.3°
C8C15H151113.3°110.3°
C8C15H152113.3°110.3°
C15C8N3108.9°105.7°
C15C8H8C1112.4°110.3°
C15C8H8C2112.4°110.2°
H151C15H15297.1°110.4°
N3C8H8C1112.4°110.5°
N3C8H8C2112.4°109.8°
C8N3C1111.4°105.9°
H8C1C8H8C298.0°110.3°
N3C1C4115.4°110.3°
N3C1H1106.5°110.3°
C4C1H1106.5°110.3°
C1C4C10122.7°119.9°
C1C4C9118.2°119.8°
C10C4C9119.2°120.3°
C4C10C17120.7°120.1°
C4C10H10119.7°119.9°
C4C9C16120.2°120.1°
C4C9H9119.9°120.0°
C17C10H10119.7°119.9°
C10C17C20120.0°119.9°
C10C17H17120.0°120.1°
C20C17H17120.0°120.1°
C17C20C22119.6°120.1°
C17C20C16119.4°119.8°
C22C20C16121.0°120.1°
C20C22N25122.9°120.0°
C20C22N24117.5°120.0°
C20C16C9120.6°119.8°
C20C16H16119.7°120.1°
N25C22N24119.6°120.0°
C22N25H25109.8°120.0°
C22N24H241117.4°120.0°
C22N24H242119.6°120.0°
H241N24H242122.9°120.0°
C9C16H16119.7°120.1°
C16C9H9119.9°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O18C11N12C5179.2°180.0°
O18C11N12C1928.3°0.1°
O18C11N12C6156.8°179.8°
O18C11C5C2157.7°179.9°
O18C11C5C789.7°68.0°
O18C11C5H535.7°57.8°
C11N12C19C6120.3°179.7°
C11N12C19C2164.4°90.0°
C11N12C19H19160.8°30.0°
C11N12C19H192170.3°150.0°
N12C11C5C223.1°0.1°
N12C11C5C789.5°112.0°
N12C11C5H5145.0°122.1°
C11N12C6C216.0°0.4°
C11N12C6O13164.6°178.9°
C5C11N12C19152.5°180.0°
C5C11N12C624.0°0.2°
C11C5C2C7113.7°114.7°
C11C5C2H5121.9°122.0°
C11C5C7H5125.4°125.9°
C11C5C2C611.1°0.3°
C11C5C2C1132.1°114.6°
C11C5C2H2107.9°122.8°
C11C5C7C14130.7°160.5°
C11C5C7N3109.1°87.1°
C11C5C7H78.7°35.4°
N12C19C21H191125.3°120.0°
N12C19C21H192125.3°120.0°
N12C19H191H192115.4°120.0°
N12C19C21C23149.7°180.0°
N12C19C21H21124.4°60.0°
N12C19C21H21285.1°60.0°
C19N12C6C2144.5°179.8°
C19N12C6O1336.0°0.9°
C6N12C19C2155.9°90.3°
C6N12C19H191178.8°149.7°
C6N12C19H19269.4°29.7°
N12C6C2C52.8°0.5°
N12C6C2O13179.4°179.4°
N12C6C2C1109.3°110.8°
N12C6C2H2121.8°122.7°
C21C19H191H192115.3°120.0°
C19C21C23H211125.3°119.9°
C19C21C23H212125.2°120.1°
C19C21H211H212118.1°120.0°
C19C21C23N29163.7°180.0°
C19C21C23H23138.4°60.0°
C19C21C23H23271.1°60.0°
H191C19C21C2385.1°60.0°
H191C19C21H211149.6°179.9°
H191C19C21H21240.2°60.1°
H192C19C21C2324.4°60.0°
H192C19C21H211100.9°60.0°
H192C19C21H212149.6°180.0°
C23C21H211H212118.1°120.0°
C21C23N29H231125.3°120.0°
C21C23N29H232125.3°120.0°
C21C23H231H232115.3°120.0°
C21C23N29C3247.6°60.0°
C21C23N29C31166.0°60.0°
C21C23N29C3074.8°180.0°
H211C21C23N2971.1°60.1°
H211C21C23H231163.6°179.9°
H211C21C23H23254.2°59.9°
H212C21C23N2938.4°60.0°
H212C21C23H23186.9°60.1°
H212C21C23H232163.7°180.0°
N29C23H231H232115.3°120.0°
C23N29C32C31118.0°120.0°
C23N29C32C30124.1°120.0°
C23N29C31C30120.9°120.0°
C23N29C32H321180.0°60.0°
C23N29C32H32254.8°60.0°
C23N29C32H32354.7°180.0°
C23N29C31H311180.0°180.0°
C23N29C31H31254.8°60.0°
C23N29C31H31354.7°60.0°
C23N29C30H301180.0°60.0°
C23N29C30H30254.7°60.0°
C23N29C30H30354.7°180.0°
H231C23N29C3277.7°180.0°
H231C23N29C3140.8°60.0°
H231C23N29C30159.9°60.0°
H232C23N29C32172.9°60.0°
H232C23N29C3168.7°180.0°
H232C23N29C3050.5°60.0°
C32N29C31C30117.6°120.0°
N29C32H321H322125.3°120.0°
N29C32H321H323125.2°120.0°
N29C32H322H323116.9°120.1°
C32N29C31H31158.4°60.0°
C32N29C31H31266.8°180.0°
C32N29C31H313176.3°60.0°
C32N29C30H30155.2°60.0°
C32N29C30H302179.5°180.0°
C32N29C30H30370.1°60.0°
C31N29C32H32162.0°60.0°
C31N29C32H322172.7°180.0°
C31N29C32H32363.2°60.0°
N29C31H311H312125.2°120.0°
N29C31H311H313125.3°120.0°
N29C31H312H313119.0°120.0°
C31N29C30H30162.0°180.0°
C31N29C30H30263.3°60.0°
C31N29C30H303172.8°60.0°
C30N29C32H32155.9°180.0°
C30N29C32H32269.4°60.0°
C30N29C32H323178.9°60.0°
C30N29C31H31159.1°60.0°
C30N29C31H312175.6°60.1°
C30N29C31H31366.2°180.0°
N29C30H301H302125.3°120.0°
N29C30H301H303125.3°119.9°
N29C30H302H303117.3°120.0°
H321C32H322H323116.9°119.9°
H311C31H312H313119.1°120.0°
H301C30H302H303117.3°120.1°
C2C5C7H5124.3°123.5°
C5C2C6C1112.1°110.3°
C5C2C6H2119.0°123.1°
C5C2C1H2120.0°123.1°
C5C2C6O13177.8°178.9°
C2C5C7C14119.0°88.8°
C2C5C7N31.3°23.6°
C2C5C7H7119.0°146.0°
C5C2C1N331.6°23.7°
C5C2C1C4160.4°143.1°
C5C2C1H181.2°95.2°
C7C5C2C6102.6°114.4°
C7C5C2C118.4°0.2°
C7C5C2H2138.4°122.5°
C5C7C14N3119.6°111.8°
C5C7C14H7122.0°125.1°
C5C7N3H7117.7°122.4°
C5C7C14C15134.7°132.2°
C5C7C14H141100.0°13.2°
C5C7C14H1429.5°108.8°
C5C7N3C8140.7°149.6°
C5C7N3C121.4°38.7°
H5C5C2C6133.1°122.3°
H5C5C2C1106.0°123.5°
H5C5C2H214.0°0.8°
H5C5C7C145.3°34.6°
H5C5C7N3125.6°147.0°
H5C5C7H7116.7°90.5°
C6C2C1H2128.9°127.0°
C6C2C1N379.4°86.2°
C6C2C1C449.4°33.3°
C6C2C1H1167.7°154.9°
C1C2C6O1370.1°68.6°
C2C1N3C733.0°39.1°
C2C1N3C8149.7°149.1°
C2C1N3C4129.3°119.6°
C2C1N3H1112.8°118.3°
C2C1C4H1118.4°121.1°
C2C1C4C1091.9°101.8°
C2C1C4C988.5°78.4°
H2C2C6O1358.8°58.0°
H2C2C1N3151.6°146.8°
H2C2C1C479.6°93.7°
H2C2C1H138.8°27.9°
C14C7N3H7118.4°123.1°
C7C14C15H141125.3°119.0°
C7C14C15H142125.3°119.0°
C7C14H141H142119.5°121.9°
C7C14C15C87.6°1.3°
C7C14C15H151117.7°117.6°
C7C14C15H152132.8°120.2°
C14C7N3C816.8°35.0°
C14C7N3C1102.5°75.8°
N3C7C14C1515.1°20.5°
N3C7C14H141140.4°98.6°
N3C7C14H142110.2°139.5°
C7N3C8C1511.9°35.9°
C7N3C8C1115.9°109.4°
C7N3C8H8C1137.2°155.2°
C7N3C8H8C2113.3°83.0°
C7N3C1C4162.3°158.7°
C7N3C1H179.8°79.2°
H7C7C14C15103.3°102.6°
H7C7C14H14122.0°138.3°
H7C7C14H142131.5°16.4°
H7C7N3C8101.6°88.0°
H7C7N3C1139.1°161.1°
C15C14H141H142119.4°121.9°
C14C15C8H151125.3°118.9°
C14C15C8H152125.3°118.9°
C14C15H151H152119.2°122.1°
C14C15C8N32.5°22.7°
C14C15C8H8C1127.8°142.1°
C14C15C8H8C2122.8°95.9°
H141C14C15C8132.8°120.3°
H141C14C15H1517.5°1.4°
H141C14C15H152101.9°120.8°
H142C14C15C8117.7°117.8°
H142C14C15H151117.0°123.3°
H142C14C15H1527.6°1.2°
C8C15H151H152119.2°122.1°
C15C8N3H8C1125.3°119.3°
C15C8N3H8C2125.3°118.9°
C15C8H8C1H8C2118.3°122.0°
C15C8N3C1103.9°73.5°
H151C15C8N3127.8°96.2°
H151C15C8H8C1106.9°23.2°
H151C15C8H8C22.5°145.2°
H152C15C8N3122.8°141.6°
H152C15C8H8C12.5°99.0°
H152C15C8H8C2111.9°23.0°
N3C8H8C1H8C2118.3°121.6°
C8N3C1C481.0°91.3°
C8N3C1H136.9°30.8°
H8C1C8N3C121.4°45.8°
H8C2C8N3C1130.8°167.7°
N3C1C4H1118.0°122.2°
N3C1C4C1031.7°141.4°
N3C1C4C9147.9°38.3°
C1C4C10C9179.6°179.7°
C1C4C10C17180.0°179.9°
C1C4C10H100.0°0.1°
C1C4C9C16179.5°179.7°
C1C4C9H90.5°0.2°
H1C1C4C10149.7°19.3°
H1C1C4C929.9°160.5°
C4C10C17H10180.0°179.9°
C4C10C17C200.0°0.1°
C4C10C17H17180.0°180.0°
C10C4C9C160.9°0.6°
C10C4C9H9179.1°180.0°
C9C4C10C170.4°0.3°
C9C4C10H10179.6°179.8°
C4C9C16C201.0°0.6°
C4C9C16H9180.0°179.5°
C4C9C16H16179.0°179.8°
C10C17C20H17180.0°180.0°
C10C17C20C22179.2°180.0°
C10C17C20C160.1°0.1°
H10C10C17C20179.9°179.9°
H10C10C17H170.0°0.1°
C17C20C22C16179.0°180.0°
C17C20C22N25172.7°0.0°
C17C20C22N245.4°180.0°
C17C20C16C90.6°0.3°
C17C20C16H16179.4°180.0°
H17C17C20C220.8°0.0°
H17C17C20C16179.9°180.0°
C20C22N25N24178.0°180.0°
C20C22N25H2577.2°180.0°
C20C22N24H241180.0°0.0°
C20C22N24H2421.8°180.0°
C22C20C16C9179.7°179.7°
C22C20C16H160.3°0.1°
C16C20C22N256.3°180.0°
C16C20C22N24175.6°0.0°
C20C16C9H16180.0°179.7°
C20C16C9H9179.0°180.0°
N25C22N24H2411.9°180.0°
N25C22N24H242180.0°0.0°
N24C22N25H25100.8°0.0°
C22N24H241H242178.1°180.0°
H16C16C9H91.0°0.3°

222415

PDB entries from 2024-07-10

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