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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OX1CX1doub1.21Å1.18Å
CX1CX2sing1.51Å1.53Å
CX1NX1sing1.35Å1.35Å
CX2CX3sing1.53Å1.55Å
CX2HX21sing1.09Å1.11Å
CX2HX22sing1.09Å1.12Å
CX3CX4sing1.53Å1.54Å
CX3CX8sing1.53Å1.59Å
CX3H1sing1.09Å1.12Å
CX4CX5sing1.53Å1.56Å
CX4HX41sing1.09Å1.11Å
CX4HX42sing1.09Å1.11Å
CX5CX6sing1.53Å1.55Å
CX5HX51sing1.09Å1.12Å
CX5HX52sing1.09Å1.11Å
CX6CX7sing1.53Å1.52Å
CX6HX61sing1.09Å1.11Å
CX6HX62sing1.09Å1.11Å
CX7CX8sing1.53Å1.56Å
CX7HX71sing1.09Å1.12Å
CX7HX72sing1.09Å1.12Å
CX8HX81sing1.09Å1.11Å
CX8HX82sing1.09Å1.12Å
NX1CX9sing1.47Å1.51Å
NX1CXBsing1.46Å1.41Å
CX9CXAsing1.53Å1.60Å
CX9HX91sing1.09Å1.11Å
CX9HX92sing1.09Å1.12Å
CXAOX2sing1.43Å1.45Å
CXAHXA1sing1.09Å1.12Å
CXAHXA2sing1.09Å1.12Å
OX2HX2sing0.97Å0.95Å
CXBCXCsing1.53Å1.49Å
CXBHXB1sing1.09Å1.11Å
CXBHXB2sing1.09Å1.12Å
CXCOX3sing1.43Å1.40Å
CXCCXDsing1.53Å1.51Å
CXCHXCsing1.09Å1.12Å
OX3HX3sing0.97Å0.95Å
CXDOX4sing1.43Å1.44Å
CXDCXEsing1.53Å1.50Å
CXDHXDsing1.09Å1.12Å
OX4HX4sing0.97Å0.95Å
CXEOX5sing1.43Å1.42Å
CXECXFsing1.53Å1.61Å
CXEHXEsing1.09Å1.12Å
OX5HX5sing0.97Å0.95Å
CXFOX6sing1.43Å1.46Å
CXFCXGsing1.53Å1.50Å
CXFHXFsing1.09Å1.12Å
OX6HX6sing0.97Å0.95Å
CXGOX7sing1.43Å1.44Å
CXGHXG1sing1.09Å1.11Å
CXGHXG2sing1.09Å1.11Å
OX7HX7sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OX1CX1CX2119.7°120.0°
OX1CX1NX1117.7°120.0°
CX2CX1NX1122.6°120.0°
CX1CX2CX3114.3°109.5°
CX1CX2HX21110.5°109.5°
CX1CX2HX22110.4°109.5°
CX1NX1CX9122.8°120.0°
CX1NX1CXB122.0°120.0°
CX3CX2HX21110.4°109.5°
CX3CX2HX22110.5°109.4°
CX2CX3CX4108.2°109.6°
CX2CX3CX8118.7°109.5°
CX2CX3H1104.9°109.4°
HX21CX2HX2299.8°109.5°
CX4CX3CX8112.3°109.5°
CX4CX3H1112.4°109.5°
CX3CX4CX5113.9°109.5°
CX3CX4HX41110.6°109.5°
CX3CX4HX42110.6°109.5°
CX8CX3H1100.0°109.4°
CX3CX8CX7107.7°109.5°
CX3CX8HX81112.9°109.4°
CX3CX8HX82112.9°109.5°
CX5CX4HX41110.6°109.5°
CX5CX4HX42110.6°109.5°
CX4CX5CX6113.0°109.5°
CX4CX5HX51110.9°109.5°
CX4CX5HX52110.9°109.5°
HX41CX4HX4299.7°109.5°
CX6CX5HX51110.9°109.5°
CX6CX5HX52110.9°109.5°
CX5CX6CX7112.6°109.5°
CX5CX6HX61111.1°109.4°
CX5CX6HX62111.1°109.5°
HX51CX5HX5299.4°109.5°
CX7CX6HX61111.1°109.5°
CX7CX6HX62111.0°109.5°
CX6CX7CX8108.7°109.5°
CX6CX7HX71112.5°109.5°
CX6CX7HX72112.5°109.5°
HX61CX6HX6299.3°109.5°
CX8CX7HX71112.5°109.5°
CX8CX7HX72112.5°109.5°
CX7CX8HX81112.9°109.5°
CX7CX8HX82112.9°109.5°
HX71CX7HX7297.9°109.5°
HX81CX8HX8297.6°109.5°
CX9NX1CXB114.9°120.0°
NX1CX9CXA113.4°109.4°
NX1CX9HX91110.8°109.5°
NX1CX9HX92110.7°109.5°
NX1CXBCXC134.9°109.5°
NX1CXBHXB1103.5°109.4°
NX1CXBHXB2103.5°109.4°
CXACX9HX91110.8°109.5°
CXACX9HX92110.8°109.4°
CX9CXAOX2111.9°109.5°
CX9CXAHXA1111.3°109.5°
CX9CXAHXA2111.3°109.4°
HX91CX9HX9299.5°109.5°
OX2CXAHXA1111.3°109.5°
OX2CXAHXA2111.3°109.5°
CXAOX2HX2111.9°106.8°
HXA1CXAHXA299.1°109.4°
CXCCXBHXB1103.5°109.5°
CXCCXBHXB2103.5°109.5°
CXBCXCOX3111.6°109.5°
CXBCXCCXD90.7°109.5°
CXBCXCHXC122.6°109.5°
HXB1CXBHXB2105.1°109.4°
OX3CXCCXD117.3°109.5°
OX3CXCHXC98.6°109.5°
CXCOX3HX3111.6°106.8°
CXDCXCHXC117.4°109.4°
CXCCXDOX4106.0°109.5°
CXCCXDCXE124.9°109.5°
CXCCXDHXD98.6°109.5°
OX4CXDCXE97.8°109.4°
OX4CXDHXD125.5°109.4°
CXDOX4HX4106.0°106.8°
CXECXDHXD106.7°109.5°
CXDCXEOX5116.4°109.4°
CXDCXECXF101.0°109.5°
CXDCXEHXE111.6°109.4°
OX5CXECXF112.1°109.5°
OX5CXEHXE100.4°109.5°
CXEOX5HX5116.4°106.8°
CXFCXEHXE116.0°109.4°
CXECXFOX6119.1°109.5°
CXECXFCXG115.1°109.5°
CXECXFHXF96.3°109.4°
OX6CXFCXG104.6°109.5°
OX6CXFHXF108.5°109.4°
CXFOX6HX6119.1°106.7°
CXGCXFHXF113.3°109.5°
CXFCXGOX7105.3°109.5°
CXFCXGHXG1113.8°109.5°
CXFCXGHXG2113.8°109.5°
OX7CXGHXG1113.8°109.4°
OX7CXGHXG2113.8°109.4°
CXGOX7HX7105.3°106.9°
HXG1CXGHXG296.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OX1CX1CX2NX1179.3°179.9°
OX1CX1CX2CX36.5°7.4°
OX1CX1CX2HX21118.7°112.6°
OX1CX1CX2HX22131.8°127.3°
OX1CX1NX1CX90.4°176.0°
OX1CX1NX1CXB172.5°4.1°
CX1CX2CX3HX21125.3°120.1°
CX1CX2CX3HX22125.3°119.9°
CX1CX2HX21HX22116.3°120.0°
CX1CX2CX3CX4168.9°59.9°
CX1CX2CX3CX839.5°180.0°
CX1CX2CX3H171.0°60.1°
CX2CX1NX1CX9179.7°4.1°
CX2CX1NX1CXB6.8°175.8°
NX1CX1CX2CX3172.8°172.6°
NX1CX1CX2HX2162.0°67.3°
NX1CX1CX2HX2247.5°52.7°
CX1NX1CX9CXB173.4°179.9°
CX1NX1CX9CXA168.5°96.0°
CX1NX1CX9HX9166.2°144.0°
CX1NX1CX9HX9243.3°24.0°
CX1NX1CXBCXC118.5°90.0°
CX1NX1CXBHXB1116.2°30.0°
CX1NX1CXBHXB26.7°149.9°
CX3CX2HX21HX22116.3°120.0°
CX2CX3CX4CX8132.9°120.1°
CX2CX3CX4H1115.3°120.0°
CX2CX3CX8H1113.2°119.9°
CX2CX3CX4CX5179.7°180.0°
CX2CX3CX4HX4155.0°60.0°
CX2CX3CX4HX4254.4°59.9°
CX2CX3CX8CX7175.3°179.9°
CX2CX3CX8HX8150.0°59.9°
CX2CX3CX8HX8259.5°60.1°
HX21CX2CX3CX443.6°180.0°
HX21CX2CX3CX885.7°60.0°
HX21CX2CX3H1163.7°60.0°
HX22CX2CX3CX465.9°60.0°
HX22CX2CX3CX8164.8°60.1°
HX22CX2CX3H154.2°NaN°
CX4CX3CX8H1119.4°120.0°
CX3CX4CX5HX41125.3°120.0°
CX3CX4CX5HX42125.2°120.0°
CX3CX4HX41HX42116.4°120.0°
CX3CX4CX5CX643.1°60.0°
CX3CX4CX5HX51168.3°60.0°
CX3CX4CX5HX5282.2°180.0°
CX4CX3CX8CX757.3°60.0°
CX4CX3CX8HX81177.5°180.0°
CX4CX3CX8HX8268.0°60.0°
CX8CX3CX4CX547.4°60.0°
CX8CX3CX4HX4177.8°60.1°
CX8CX3CX4HX42172.7°180.0°
CX3CX8CX7CX663.9°60.0°
CX3CX8CX7HX81125.3°120.0°
CX3CX8CX7HX82125.3°120.0°
CX3CX8CX7HX71170.8°60.0°
CX3CX8CX7HX7261.4°180.0°
CX3CX8HX81HX82118.8°120.0°
H1CX3CX4CX564.4°60.0°
H1CX3CX4HX41170.3°180.0°
H1CX3CX4HX4260.8°60.0°
H1CX3CX8CX762.1°60.0°
H1CX3CX8HX8163.2°60.0°
H1CX3CX8HX82172.6°180.0°
CX5CX4HX41HX42116.5°120.0°
CX4CX5CX6HX51125.2°120.0°
CX4CX5CX6HX52125.3°120.0°
CX4CX5HX51HX52116.8°120.0°
CX4CX5CX6CX750.8°60.0°
CX4CX5CX6HX6174.5°180.0°
CX4CX5CX6HX62176.0°60.0°
HX41CX4CX5CX682.2°60.0°
HX41CX4CX5HX5143.1°180.0°
HX41CX4CX5HX52152.5°60.0°
HX42CX4CX5CX6168.3°180.0°
HX42CX4CX5HX5166.4°60.0°
HX42CX4CX5HX5243.0°60.0°
CX6CX5HX51HX52116.8°120.0°
CX5CX6CX7HX61125.3°119.9°
CX5CX6CX7HX62125.3°120.0°
CX5CX6HX61HX62117.0°120.0°
CX5CX6CX7CX861.9°60.0°
CX5CX6CX7HX71172.8°60.0°
CX5CX6CX7HX7263.3°180.0°
HX51CX5CX6CX7176.0°60.0°
HX51CX5CX6HX6150.7°60.0°
HX51CX5CX6HX6258.7°180.0°
HX52CX5CX6CX774.5°180.0°
HX52CX5CX6HX61160.2°60.0°
HX52CX5CX6HX6250.7°60.0°
CX7CX6HX61HX62116.9°120.0°
CX6CX7CX8HX71125.3°120.0°
CX6CX7CX8HX72125.3°120.0°
CX6CX7HX71HX72118.4°120.0°
CX6CX7CX8HX81170.8°180.0°
CX6CX7CX8HX8261.4°60.0°
HX61CX6CX7CX863.4°180.0°
HX61CX6CX7HX7161.9°60.0°
HX61CX6CX7HX72171.4°60.0°
HX62CX6CX7CX8172.8°60.0°
HX62CX6CX7HX7147.6°180.0°
HX62CX6CX7HX7261.9°60.0°
CX8CX7HX71HX72118.4°120.0°
CX7CX8HX81HX82118.8°120.0°
HX71CX7CX8HX8145.6°60.0°
HX71CX7CX8HX8263.9°180.0°
HX72CX7CX8HX8163.9°60.0°
HX72CX7CX8HX82173.3°60.0°
NX1CX9CXAHX91125.3°120.0°
NX1CX9CXAHX92125.2°120.0°
NX1CX9HX91HX92116.6°120.1°
NX1CX9CXAOX2105.1°64.7°
NX1CX9CXAHXA120.2°55.4°
NX1CX9CXAHXA2129.7°175.3°
CX9NX1CXBCXC68.0°90.0°
CX9NX1CXBHXB157.3°150.0°
CX9NX1CXBHXB2166.7°30.1°
CXBNX1CX9CXA4.9°84.1°
CXBNX1CX9HX91120.4°35.9°
CXBNX1CX9HX92130.1°155.9°
NX1CXBCXCHXB1125.3°120.0°
NX1CXBCXCHXB2125.2°120.0°
NX1CXBHXB1HXB2108.3°119.9°
NX1CXBCXCOX373.2°59.9°
NX1CXBCXCCXD166.9°180.0°
NX1CXBCXCHXC43.2°60.0°
CXACX9HX91HX92116.6°120.0°
CX9CXAOX2HXA1125.3°120.1°
CX9CXAOX2HXA2125.3°119.9°
CX9CXAHXA1HXA2117.2°119.9°
CX9CXAOX2HX2180.0°175.1°
HX91CX9CXAOX2129.6°175.3°
HX91CX9CXAHXA1105.1°64.6°
HX91CX9CXAHXA24.4°55.3°
HX92CX9CXAOX220.2°55.3°
HX92CX9CXAHXA1145.4°175.4°
HX92CX9CXAHXA2105.1°64.6°
OX2CXAHXA1HXA2117.2°120.0°
HXA1CXAOX2HX254.8°64.9°
HXA2CXAOX2HX254.7°55.1°
CXCCXBHXB1HXB2108.2°120.0°
CXBCXCOX3CXD102.6°120.1°
CXBCXCOX3HXC130.3°120.0°
CXBCXCCXDHXC127.9°120.0°
CXBCXCOX3HX3180.0°60.1°
CXBCXCCXDOX462.1°60.0°
CXBCXCCXDCXE173.9°179.9°
CXBCXCCXDHXD68.7°60.0°
HXB1CXBCXCOX3161.5°60.0°
HXB1CXBCXCCXD41.6°60.0°
HXB1CXBCXCHXC82.1°180.0°
HXB2CXBCXCOX352.0°180.0°
HXB2CXBCXCCXD67.9°59.9°
HXB2CXBCXCHXC168.5°60.0°
OX3CXCCXDHXC117.2°120.0°
OX3CXCCXDOX4177.0°180.0°
OX3CXCCXDCXE71.2°60.0°
OX3CXCCXDHXD46.2°60.1°
CXDCXCOX3HX377.4°60.0°
CXCCXDOX4CXE129.8°120.0°
CXCCXDOX4HXD113.3°120.0°
CXCCXDCXEHXD113.6°120.1°
CXCCXDOX4HX4180.0°60.0°
CXCCXDCXEOX558.1°60.0°
CXCCXDCXECXF179.8°180.0°
CXCCXDCXEHXE56.4°60.0°
HXCCXCOX3HX349.7°180.0°
HXCCXCCXDOX465.8°60.0°
HXCCXCCXDCXE46.0°60.0°
HXCCXCCXDHXD163.4°180.0°
OX4CXDCXEHXD130.7°119.9°
OX4CXDCXEOX5173.9°180.0°
OX4CXDCXECXF64.5°60.0°
OX4CXDCXEHXE59.4°60.0°
CXECXDOX4HX450.2°60.0°
CXDCXEOX5CXF115.6°120.0°
CXDCXEOX5HXE120.6°120.0°
CXDCXECXFHXE120.8°120.0°
CXDCXEOX5HX5180.0°60.0°
CXDCXECXFOX651.6°60.0°
CXDCXECXFCXG177.0°179.9°
CXDCXECXFHXF63.6°60.0°
HXDCXDOX4HX466.7°180.0°
HXDCXDCXEOX555.4°60.1°
HXDCXDCXECXF66.2°60.0°
HXDCXDCXEHXE169.9°179.9°
OX5CXECXFHXE114.5°120.0°
OX5CXECXFOX6176.3°180.0°
OX5CXECXFCXG58.3°59.9°
OX5CXECXFHXF61.0°60.0°
CXFCXEOX5HX564.4°60.0°
CXECXFOX6CXG130.3°120.1°
CXECXFOX6HXF108.6°119.9°
CXECXFCXGHXF109.4°119.9°
CXECXFOX6HX6180.0°60.0°
CXECXFCXGOX7178.1°179.9°
CXECXFCXGHXG156.7°60.1°
CXECXFCXGHXG252.8°60.0°
HXECXEOX5HX559.4°180.0°
HXECXECXFOX669.2°60.0°
HXECXECXFCXG56.2°60.1°
HXECXECXFHXF175.6°180.0°
OX6CXFCXGHXF118.0°119.9°
OX6CXFCXGOX745.5°59.9°
OX6CXFCXGHXG1170.7°60.1°
OX6CXFCXGHXG279.8°179.9°
CXGCXFOX6HX649.7°60.1°
CXFCXGOX7HXG1125.3°120.0°
CXFCXGOX7HXG2125.3°120.0°
CXFCXGHXG1HXG2119.7°120.0°
CXFCXGOX7HX7180.0°180.0°
HXFCXFOX6HX671.4°180.0°
HXFCXFCXGOX772.5°60.0°
HXFCXFCXGHXG152.7°180.0°
HXFCXFCXGHXG2162.2°60.0°
OX7CXGHXG1HXG2119.7°119.9°
HXG1CXGOX7HX754.8°60.0°
HXG2CXGOX7HX754.7°60.0°

218853

PDB entries from 2024-04-24

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