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02L

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CCAsing1.51Å1.52Å
CBCAsing1.53Å1.51Å
CANsing1.47Å1.47Å
CAHAsing1.09Å1.10Å
OCdoub1.21Å1.23Å
NHsing1.01Å1.00Å
CBCGsing1.51Å1.51Å
CBHB2sing1.09Å1.10Å
CBHB3sing1.09Å1.10Å
ND2CGsing1.35Å1.34Å
CGOD1doub1.21Å1.24Å
ND2C36sing1.46Å1.48Å
ND2HD21sing0.97Å1.00Å
C37C36sing1.53Å1.54Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C40C37sing1.53Å1.53Å
C39C37sing1.53Å1.52Å
C37C38sing1.53Å1.53Å
C40H40sing1.09Å1.10Å
C40H40Asing1.09Å1.10Å
C40H40Bsing1.09Å1.10Å
C38H38sing1.09Å1.10Å
C38H38Asing1.09Å1.10Å
C38H38Bsing1.09Å1.10Å
C39H39sing1.09Å1.10Å
C39H39Asing1.09Å1.10Å
C39H39Bsing1.09Å1.10Å
COXTsing1.34Å137.89Å
OXTHXTsing0.97Å0.00Å
NH2sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CCACB103.7°109.5°
CCAN113.0°109.5°
CCAHA111.4°109.5°
CACO122.4°120.0°
CACOXT98.6°119.9°
CBCAN110.6°109.5°
CBCAHA113.8°109.4°
CACBCG114.4°109.5°
CACBHB2107.9°109.4°
CACBHB3107.9°109.5°
NCAHA104.6°109.4°
CANH109.5°111.0°
CANH2109.5°111.0°
OCOXT37.7°120.0°
HNH2109.4°111.0°
CGCBHB2107.9°109.5°
CGCBHB3107.9°109.5°
CBCGND2112.2°120.0°
CBCGOD1121.0°120.0°
HB2CBHB3111.0°109.4°
ND2CGOD1126.8°120.0°
CGND2C36124.9°120.0°
CGND2HD21117.6°120.0°
C36ND2HD21117.5°120.0°
ND2C36C37110.6°109.5°
ND2C36H36109.1°109.5°
ND2C36H36A109.1°109.5°
C37C36H36109.1°109.4°
C37C36H36A109.1°109.5°
C36C37C40110.1°109.5°
C36C37C39110.8°109.5°
C36C37C38110.0°109.5°
H36C36H36A109.8°109.4°
C40C37C39108.6°109.4°
C40C37C38109.2°109.5°
C37C40H40109.5°109.5°
C37C40H40A109.4°109.5°
C37C40H40B109.5°109.5°
C39C37C38108.1°109.5°
C37C39H39109.5°109.5°
C37C39H39A109.5°109.5°
C37C39H39B109.5°109.4°
C37C38H38109.5°109.5°
C37C38H38A109.5°109.5°
C37C38H38B109.4°109.5°
H40C40H40A109.5°109.4°
H40C40H40B109.5°109.4°
H40AC40H40B109.5°109.5°
H38C38H38A109.4°109.5°
H38C38H38B109.5°109.5°
H38AC38H38B109.5°109.4°
H39C39H39A109.5°109.5°
H39C39H39B109.5°109.5°
H39AC39H39B109.5°109.4°
COXTHXT90.0°116.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CCACBN121.5°120.0°
CCACBHA121.2°120.0°
CCANHA121.3°120.0°
CACOOXT58.0°180.0°
CCANH180.0°63.9°
CCACBCG167.8°175.0°
CCACBHB272.2°65.0°
CCACBHB347.8°54.9°
CACOXTHXT90.0°180.0°
CCANH260.0°60.0°
CBCANHA122.9°119.9°
CBCACO72.9°100.0°
CBCANH64.2°176.0°
CACBCGHB2120.0°120.0°
CACBCGHB3120.0°120.0°
CACBHB2HB3118.0°119.9°
CACBCGND2159.8°180.0°
CACBCGOD121.1°0.0°
CBCACOXT41.2°80.0°
CBCANH2175.8°60.0°
NCACO46.9°20.0°
CANHH2120.0°123.9°
NCACBCG70.8°65.0°
NCACBHB249.2°55.1°
NCACBHB3169.2°175.0°
NCACOXT78.6°160.0°
HACACO164.3°140.0°
HACANH58.7°56.1°
HACACBCG46.6°55.0°
HACACBHB2166.6°175.0°
HACACBHB373.4°65.1°
HACACOXT164.0°40.0°
HACANH261.3°180.0°
OCOXTHXT90.0°0.0°
CGCBHB2HB3118.0°120.0°
CBCGND2OD1179.0°180.0°
CBCGND2C36179.5°180.0°
CBCGND2HD210.5°0.0°
HB2CBCGND239.9°60.0°
HB2CBCGOD1141.1°120.0°
HB3CBCGND280.2°60.0°
HB3CBCGOD198.9°120.0°
CGND2C36HD21180.0°180.0°
CGND2C36C37120.6°180.0°
CGND2C36H360.6°60.0°
CGND2C36H36A119.4°59.9°
OD1CGND2C360.5°0.0°
OD1CGND2HD21179.5°180.0°
ND2C36C37H36120.0°120.0°
ND2C36C37H36A120.0°120.0°
ND2C36H36H36A119.5°120.0°
ND2C36C37C4063.3°60.1°
ND2C36C37C3957.0°180.0°
ND2C36C37C38176.4°60.0°
HD21ND2C36C3759.4°0.1°
HD21ND2C36H36179.4°120.0°
HD21ND2C36H36A60.6°120.0°
C37C36H36H36A119.5°120.0°
C36C37C40C39121.5°119.9°
C36C37C40C38120.8°120.0°
C36C37C39C38120.6°120.1°
C36C37C40H40180.0°60.0°
C36C37C40H40A60.0°180.0°
C36C37C40H40B60.0°59.9°
C36C37C38H38180.0°60.0°
C36C37C38H38A60.0°180.0°
C36C37C38H38B60.0°60.0°
C36C37C39H39180.0°59.9°
C36C37C39H39A60.0°180.0°
C36C37C39H39B60.0°60.1°
H36C36C37C4056.7°180.0°
H36C36C37C39177.0°60.1°
H36C36C37C3863.6°60.0°
H36AC36C37C40176.7°60.0°
H36AC36C37C3963.1°59.9°
H36AC36C37C3856.4°180.0°
C40C37C39C38118.3°120.0°
C37C40H40H40A120.0°120.0°
C37C40H40H40B120.0°120.0°
C37C40H40AH40B120.0°120.1°
C40C37C38H3859.1°180.0°
C40C37C38H38A60.8°59.9°
C40C37C38H38B179.1°60.0°
C40C37C39H3958.9°60.0°
C40C37C39H39A178.9°60.1°
C40C37C39H39B61.1°180.0°
C39C37C40H4058.5°180.0°
C39C37C40H40A61.5°60.1°
C39C37C40H40B178.5°60.0°
C39C37C38H3858.9°60.0°
C39C37C38H38A178.8°60.0°
C39C37C38H38B61.1°179.9°
C37C39H39H39A120.0°120.0°
C37C39H39H39B120.0°120.0°
C37C39H39AH39B120.0°119.9°
C38C37C40H4059.2°60.0°
C38C37C40H40A179.2°60.0°
C38C37C40H40B60.8°180.0°
C37C38H38H38A120.0°120.0°
C37C38H38H38B120.0°120.0°
C37C38H38AH38B120.0°120.0°
C38C37C39H3959.4°180.0°
C38C37C39H39A60.6°59.9°
C38C37C39H39B179.4°60.0°
H40C40H40AH40B120.0°119.9°
H38C38H38AH38B120.0°120.0°
H39C39H39AH39B120.0°120.0°

246704

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