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216

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1doub1.22Å1.21Å
O4C4sing1.43Å1.38Å
O4HO4sing0.97Å0.95Å
O5C5sing1.43Å1.40Å
O5HO5sing0.97Å0.95Å
N2C1sing1.32Å1.32Å
N2C3sing1.46Å1.47Å
N2C21sing1.47Å1.46Å
N7C1sing1.34Å1.35Å
N7C6sing1.46Å1.48Å
N7C71sing1.46Å1.48Å
C3C4sing1.54Å1.50Å
C3C31sing1.53Å1.54Å
C3H3sing1.09Å1.11Å
C4C5sing1.52Å1.49Å
C4H4sing1.09Å1.11Å
C5C6sing1.52Å1.52Å
C5H5sing1.09Å1.12Å
C6C61sing1.53Å1.56Å
C6H6sing1.09Å1.11Å
C21C22sing1.51Å1.51Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.12Å
C22C23doub1.31Å1.34Å
C22H22sing1.08Å1.10Å
C23H231sing1.08Å1.10Å
C23H232sing1.08Å1.10Å
C31C32sing1.51Å1.50Å
C31H311sing1.09Å1.11Å
C31H312sing1.09Å1.12Å
C32C33doub1.38Å1.41ÅAromatic
C32C37sing1.38Å1.41ÅAromatic
C33C34sing1.38Å1.41ÅAromatic
C33H33sing1.08Å1.10Å
C34C35doub1.38Å1.40ÅAromatic
C34H34sing1.08Å1.10Å
C35C36sing1.38Å1.43ÅAromatic
C35H35sing1.08Å1.10Å
C36C37doub1.38Å1.42ÅAromatic
C36H36sing1.08Å1.10Å
C37H37sing1.08Å1.10Å
C61C62sing1.51Å1.52Å
C61H611sing1.09Å1.11Å
C61H612sing1.09Å1.12Å
C62C63doub1.38Å1.42ÅAromatic
C62C67sing1.38Å1.42ÅAromatic
C63C64sing1.38Å1.40ÅAromatic
C63H63sing1.08Å1.10Å
C64C65doub1.38Å1.41ÅAromatic
C64H64sing1.08Å1.10Å
C65C66sing1.38Å1.42ÅAromatic
C65H65sing1.08Å1.10Å
C66C67doub1.38Å1.41ÅAromatic
C66H66sing1.08Å1.10Å
C67H67sing1.08Å1.10Å
C71C72sing1.51Å1.52Å
C71H711sing1.09Å1.11Å
C71H712sing1.09Å1.12Å
C72C73doub1.31Å1.34Å
C72H72sing1.08Å1.10Å
C73H731sing1.08Å1.10Å
C73H732sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1N2115.6°116.9°
O1C1N7120.9°116.9°
C4O4HO4101.9°106.9°
O4C4C3101.9°109.0°
O4C4C5113.3°108.9°
O4C4H4112.9°108.9°
C5O5HO5111.4°106.8°
O5C5C4111.4°109.0°
O5C5C6104.7°109.0°
O5C5H5112.0°109.0°
C1N2C3123.9°124.3°
C1N2C21118.3°117.9°
N2C1N7123.5°126.1°
C3N2C21117.5°117.8°
N2C3C4116.5°110.8°
N2C3C31110.7°109.3°
N2C3H3105.9°109.2°
N2C21C22111.5°109.5°
N2C21H211111.5°109.5°
N2C21H212111.5°109.5°
C1N7C6123.9°121.2°
C1N7C71123.1°119.4°
C6N7C71112.7°119.4°
N7C6C5116.5°110.8°
N7C6C61109.3°109.1°
N7C6H6107.6°109.2°
N7C71C72114.3°109.5°
N7C71H711110.4°109.5°
N7C71H712110.4°109.5°
C4C3C31115.8°108.9°
C4C3H399.5°109.3°
C3C4C5111.8°112.0°
C3C4H4114.3°108.9°
C31C3H3106.8°109.3°
C3C31C32111.5°109.5°
C3C31H311111.5°109.5°
C3C31H312111.4°109.5°
C5C4H4103.1°109.0°
C4C5C6111.2°111.5°
C4C5H5105.5°109.1°
C6C5H5112.1°109.1°
C5C6C61117.0°109.2°
C5C6H697.8°109.2°
C61C6H6107.1°109.2°
C6C61C62115.6°109.5°
C6C61H611110.0°109.5°
C6C61H612110.0°109.5°
C22C21H211111.5°109.5°
C22C21H212111.5°109.4°
C21C22C23122.2°120.0°
C21C22H22125.2°120.0°
H211C21H21298.8°109.5°
C23C22H22112.7°120.0°
C22C23H231112.7°120.0°
C22C23H232122.2°120.0°
H231C23H232125.1°120.0°
C32C31H311111.4°109.5°
C32C31H312111.4°109.5°
C31C32C33120.0°120.0°
C31C32C37119.8°120.0°
H311C31H31299.0°109.4°
C33C32C37120.2°120.0°
C32C33C34120.8°120.0°
C32C33H33119.7°120.0°
C32C37C36118.8°119.9°
C32C37H37120.3°120.0°
C34C33H33119.6°120.0°
C33C34C35120.1°120.0°
C33C34H34120.3°120.0°
C35C34H34119.6°120.0°
C34C35C36119.1°120.0°
C34C35H35119.6°120.0°
C36C35H35121.3°120.0°
C35C36C37121.1°120.0°
C35C36H36119.6°120.0°
C37C36H36119.3°119.9°
C36C37H37120.9°120.0°
C62C61H611110.0°109.5°
C62C61H612110.0°109.4°
C61C62C63118.2°120.0°
C61C62C67120.7°120.0°
H611C61H612100.2°109.5°
C63C62C67121.1°120.0°
C62C63C64121.1°120.0°
C62C63H63119.9°120.0°
C62C67C66118.0°120.0°
C62C67H67121.2°119.9°
C64C63H63119.1°120.0°
C63C64C65118.0°120.0°
C63C64H64120.7°120.0°
C65C64H64121.3°120.0°
C64C65C66121.4°120.0°
C64C65H65119.1°120.0°
C66C65H65119.5°120.0°
C65C66C67120.5°120.0°
C65C66H66120.0°120.0°
C67C66H66119.5°120.0°
C66C67H67120.8°120.0°
C72C71H711110.5°109.5°
C72C71H712110.5°109.4°
C71C72C73123.7°120.0°
C71C72H72124.9°120.0°
H711C71H71299.8°109.5°
C73C72H72111.4°120.0°
C72C73H731111.4°119.9°
C72C73H732123.6°120.0°
H731C73H732125.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1N2N7179.1°180.0°
O1C1N2C3150.4°172.4°
O1C1N2C2122.0°7.6°
O1C1N7C6151.6°162.4°
O1C1N7C7122.8°17.6°
O4C4C5O561.2°87.9°
O4C4C3N2164.9°154.0°
O4C4C3C5121.3°120.6°
O4C4C3H4122.0°118.7°
O4C4C3C3162.3°85.7°
O4C4C3H351.7°33.6°
O4C4C5H4122.3°118.7°
O4C4C5C6177.7°151.6°
O4C4C5H560.5°31.0°
HO4O4C4C3180.0°178.8°
HO4O4C4C559.7°58.8°
HO4O4C4H457.0°60.0°
O5C5C6N7168.8°66.9°
O5C5C4C3175.7°151.4°
O5C5C4C6116.5°120.4°
O5C5C4H5121.7°119.0°
O5C5C4H461.1°30.8°
O5C5C6H5121.6°118.9°
O5C5C6C6159.2°53.2°
O5C5C6H654.6°172.7°
HO5O5C5C4180.0°60.0°
HO5O5C5C659.6°178.0°
HO5O5C5H562.1°59.0°
C1N2C3C21172.5°180.0°
N2C1N7C629.4°17.6°
N2C1N7C71156.3°162.5°
C1N2C3C469.9°43.4°
C1N2C3C3165.1°76.6°
C1N2C3H3179.4°163.9°
C1N2C21C22132.1°90.0°
C1N2C21H211102.6°150.0°
C1N2C21H2126.8°29.9°
C3N2C1N728.7°7.6°
N2C3C4C31132.8°120.2°
N2C3C4H3113.2°120.4°
N2C3C31H3114.9°119.5°
N2C3C4C573.9°85.3°
N2C3C4H442.8°35.3°
C3N2C21C2255.0°90.0°
C3N2C21H21170.3°30.1°
C3N2C21H212179.7°150.1°
N2C3C31C3263.8°118.3°
N2C3C31H311170.9°121.7°
N2C3C31H31261.4°1.7°
C21N2C1N7158.8°172.4°
C21N2C3C4117.6°136.6°
C21N2C3C31107.3°103.4°
C21N2C3H38.1°16.1°
N2C21C22H211125.3°120.1°
N2C21C22H212125.3°119.9°
N2C21H211H212117.4°120.0°
N2C21C22C23128.7°120.0°
N2C21C22H2251.4°59.9°
C1N7C6C71174.9°179.9°
C1N7C6C567.9°78.8°
C1N7C6C6167.5°160.9°
C1N7C6H6176.5°41.6°
C1N7C71C72127.9°84.5°
C1N7C71H711106.8°35.5°
C1N7C71H7122.6°155.5°
N7C6C5C470.7°53.5°
N7C6C5C61132.0°120.2°
N7C6C5H6114.2°120.4°
N7C6C5H547.2°174.1°
N7C6C61H6116.3°119.3°
N7C6C61C6274.9°172.8°
N7C6C61H611159.8°67.1°
N7C6C61H61250.4°52.9°
C6N7C71C7257.1°95.5°
C6N7C71H71168.2°144.5°
C6N7C71H712177.6°24.4°
C71N7C6C5117.2°101.3°
C71N7C6C61107.4°19.0°
C71N7C6H68.6°138.3°
N7C71C72H711125.3°120.0°
N7C71C72H712125.3°120.0°
N7C71H711H712116.2°120.1°
N7C71C72C73142.2°120.0°
N7C71C72H7237.8°60.0°
C4C3C31H3109.7°119.4°
C3C4C5H4123.2°120.6°
C3C4C5C667.9°31.0°
C3C4C5H553.9°89.6°
C4C3C31C32160.8°120.5°
C4C3C31H31135.6°0.5°
C4C3C31H31274.0°119.5°
C31C3C4C559.0°34.9°
C31C3C4H4175.6°155.5°
C3C31C32H311125.3°120.0°
C3C31C32H312125.2°120.0°
C3C31H311H312117.4°120.0°
C3C31C32C3392.1°90.1°
C3C31C32C3787.9°90.3°
H3C3C4C5173.0°154.2°
H3C3C4H470.4°85.1°
H3C3C31C3251.1°1.2°
H3C3C31H31174.2°118.9°
H3C3C31H312176.3°121.2°
C4C5C6H5117.8°120.6°
C4C5C6C6161.3°173.7°
C4C5C6H6175.1°66.9°
H4C4C5C655.4°89.7°
H4C4C5H5177.2°149.8°
C5C6C61H6108.4°119.4°
C5C6C61C62149.9°65.9°
C5C6C61H61124.6°54.1°
C5C6C61H61284.9°174.2°
H5C5C6C61179.2°65.7°
H5C5C6H667.1°53.7°
C6C61C62H611125.3°120.0°
C6C61C62H612125.2°120.0°
C6C61H611H612115.8°120.0°
C6C61C62C6373.6°95.5°
C6C61C62C67108.8°84.8°
H6C6C61C6241.5°53.5°
H6C6C61H61183.9°173.5°
H6C6C61H612166.7°66.4°
C22C21H211H212117.3°119.9°
C21C22C23H22179.9°179.9°
C21C22C23H2310.0°179.9°
C21C22C23H232180.0°0.1°
H211C21C22C233.3°0.1°
H211C21C22H22176.7°180.0°
H212C21C22C23106.0°120.0°
H212C21C22H2273.9°60.0°
C22C23H231H232180.0°180.0°
H22C22C23H231179.9°0.0°
H22C22C23H2320.0°180.0°
C32C31H311H312117.3°120.0°
C31C32C33C37179.9°179.6°
C31C32C33C34179.5°180.0°
C31C32C33H330.5°0.0°
C31C32C37C36179.8°179.8°
C31C32C37H370.2°0.3°
H311C31C32C33142.7°30.0°
H311C31C32C3737.4°149.7°
H312C31C32C3333.2°150.0°
H312C31C32C37146.9°29.7°
C32C33C34H33180.0°180.0°
C32C33C34C350.5°0.0°
C32C33C34H34179.5°179.9°
C33C32C37C360.2°0.6°
C33C32C37H37179.7°179.9°
C37C32C33C340.6°0.3°
C37C32C33H33179.4°179.7°
C32C37C36C350.1°0.5°
C32C37C36H37180.0°179.5°
C32C37C36H36179.9°179.7°
C33C34C35H34180.0°179.9°
C33C34C35C360.2°0.1°
C33C34C35H35179.8°179.9°
H33C33C34C35179.5°180.0°
H33C33C34H340.5°0.1°
C34C35C36H35180.0°180.0°
C34C35C36C370.1°0.1°
C34C35C36H36179.8°179.9°
H34C34C35C36179.8°180.0°
H34C34C35H350.2°0.0°
C35C36C37H36180.0°179.8°
C35C36C37H37179.9°180.0°
H35C35C36C37179.9°179.8°
H35C35C36H360.1°0.0°
H36C36C37H370.1°0.2°
C62C61H611H612115.8°120.0°
C61C62C63C67177.5°179.7°
C61C62C63C64177.4°180.0°
C61C62C63H632.6°0.1°
C61C62C67C66177.1°179.8°
C61C62C67H672.9°0.3°
H611C61C62C6351.7°24.5°
H611C61C62C67125.8°155.2°
H612C61C62C63161.1°144.5°
H612C61C62C6716.4°35.2°
C62C63C64H63180.0°179.9°
C62C63C64C650.1°0.1°
C62C63C64H64179.9°179.9°
C63C62C67C660.4°0.6°
C63C62C67H67179.6°179.9°
C67C62C63C640.1°0.3°
C67C62C63H63179.8°179.7°
C62C67C66C650.4°0.5°
C62C67C66H67180.0°179.5°
C62C67C66H66179.6°179.7°
C63C64C65H64180.0°179.9°
C63C64C65C660.0°0.0°
C63C64C65H65180.0°180.0°
H63C63C64C65179.9°180.0°
H63C63C64H640.0°0.0°
C64C65C66H65180.0°180.0°
C64C65C66C670.2°0.2°
C64C65C66H66179.8°179.9°
H64C64C65C66180.0°179.9°
H64C64C65H650.0°0.0°
C65C66C67H66180.0°179.8°
C65C66C67H67179.5°180.0°
H65C65C66C67179.8°179.8°
H65C65C66H660.2°0.0°
H66C66C67H670.4°0.2°
C72C71H711H712116.3°119.9°
C71C72C73H72180.0°180.0°
C71C72C73H7310.0°180.0°
C71C72C73H732180.0°0.0°
H711C71C72C7316.9°0.0°
H711C71C72H72163.1°180.0°
H712C71C72C7392.5°120.0°
H712C71C72H7287.5°60.0°
C72C73H731H732179.9°180.0°
H72C72C73H731180.0°0.0°
H72C72C73H7320.0°180.0°

224931

PDB entries from 2024-09-11

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