Obsolete: 98

98 was replaced with 986 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	doub	1.38Å	1.41Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.51Å	1.52Å
C3	C2	sing	1.53Å	1.52Å
C10	C5	sing	1.38Å	1.37Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C4	O	doub	1.21Å	1.23Å
C4	N1	sing	1.35Å	1.34Å
C5	N1	sing	1.40Å	1.31Å
C5	C6	doub	1.40Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.37Å	Aromatic
C6	N2	sing	1.40Å	1.33Å
C2	N2	sing	1.46Å	1.48Å
C2	C1	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
N1	H7	sing	0.97Å	1.00Å
C10	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C7	H11	sing	1.08Å	1.08Å
N2	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	119.0°	120.3°
C9	C10	C5	117.1°	119.9°
C9	C10	H8	121.4°	120.1°
C10	C9	H9	120.5°	119.9°
C9	C8	C7	123.3°	120.2°
C8	C9	H9	120.5°	119.9°
C9	C8	H10	118.3°	119.9°
C4	C3	C2	107.6°	110.1°
C3	C4	O	118.6°	119.8°
C3	C4	N1	122.5°	120.4°
C4	C3	H5	109.9°	109.4°
C4	C3	H6	109.9°	109.4°
C3	C2	N2	108.7°	109.9°
C3	C2	C1	112.5°	109.4°
C3	C2	H4	108.2°	109.3°
C2	C3	H5	109.9°	109.4°
C2	C3	H6	109.9°	109.4°
C10	C5	N1	115.5°	120.9°
C10	C5	C6	123.1°	119.8°
C5	C10	H8	121.5°	120.1°
C8	C7	C6	117.3°	119.9°
C7	C8	H10	118.4°	119.9°
C8	C7	H11	121.3°	120.1°
O	C4	N1	118.9°	119.8°
C4	N1	C5	122.6°	120.5°
C4	N1	H7	118.7°	119.8°
N1	C5	C6	121.3°	119.3°
C5	N1	H7	118.7°	119.8°
C5	C6	C7	120.1°	119.9°
C5	C6	N2	125.5°	119.4°
C7	C6	N2	114.4°	120.7°
C6	C7	H11	121.3°	120.1°
C6	N2	C2	127.5°	118.8°
C6	N2	H12	104.8°	120.6°
N2	C2	C1	110.6°	109.4°
N2	C2	H4	108.7°	109.4°
C2	N2	H12	104.8°	120.6°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	108.1°	109.4°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.4°
H5	C3	H6	109.5°	109.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H9	180.0°	180.0°
C9	C10	C5	H8	180.0°	179.9°
C10	C9	C8	C7	0.9°	0.5°
C9	C10	C5	N1	178.8°	178.9°
C9	C10	C5	C6	1.3°	1.0°
C10	C9	C8	H10	179.0°	179.4°
C8	C9	C10	C5	0.6°	0.1°
C9	C8	C7	H10	180.0°	179.9°
C9	C8	C7	C6	1.8°	0.1°
C8	C9	C10	H8	179.4°	179.9°
C9	C8	C7	H11	178.2°	179.9°
C4	C3	C2	H5	119.7°	120.2°
C4	C3	C2	H6	119.7°	120.2°
C3	C4	O	N1	177.6°	179.9°
C3	C4	N1	C5	3.5°	4.6°
C4	C3	C2	N2	59.4°	43.7°
C4	C3	C2	C1	63.4°	163.8°
C4	C3	C2	H4	177.2°	76.4°
C4	C3	H5	H6	120.9°	119.7°
C3	C4	N1	H7	176.5°	175.5°
C2	C3	C4	O	101.8°	104.4°
C2	C3	C4	N1	75.7°	75.5°
C3	C2	N2	C6	12.6°	42.6°
C3	C2	N2	C1	124.0°	120.2°
C3	C2	N2	H4	117.5°	120.1°
C3	C2	C1	H4	119.4°	119.8°
C3	C2	C1	H1	180.0°	179.6°
C3	C2	C1	H2	60.0°	59.5°
C3	C2	C1	H3	60.0°	60.4°
C2	C3	H5	H6	120.8°	119.7°
C3	C2	N2	H12	109.7°	137.5°
C10	C5	N1	C4	139.9°	130.9°
C10	C5	N1	C6	177.6°	179.9°
C10	C5	C6	C7	0.4°	1.6°
C10	C5	C6	N2	177.9°	176.9°
C10	C5	N1	H7	40.1°	49.2°
C5	C10	C9	H9	179.4°	179.9°
C8	C7	C6	C5	1.1°	1.1°
C8	C7	C6	H11	180.0°	180.0°
C8	C7	C6	N2	179.6°	177.3°
C7	C8	C9	H9	179.0°	179.5°
O	C4	N1	C5	174.0°	175.3°
O	C4	C3	H5	138.5°	135.4°
O	C4	C3	H6	17.9°	15.8°
O	C4	N1	H7	6.0°	4.6°
C4	N1	C5	H7	180.0°	179.9°
C4	N1	C5	C6	42.5°	49.3°
N1	C4	C3	H5	44.0°	44.7°
N1	C4	C3	H6	164.6°	164.2°
N1	C5	C6	C7	177.8°	178.3°
N1	C5	C6	N2	0.6°	3.3°
N1	C5	C10	H8	1.2°	1.1°
C5	C6	C7	N2	178.5°	178.4°
C5	C6	N2	C2	52.8°	71.8°
C6	C5	N1	H7	137.5°	130.7°
C6	C5	C10	H8	178.7°	179.1°
C5	C6	C7	H11	178.9°	178.9°
C5	C6	N2	H12	69.6°	108.3°
C7	C6	N2	C2	128.8°	106.7°
C6	C7	C8	H10	178.2°	180.0°
C7	C6	N2	H12	108.8°	73.3°
C6	N2	C2	H12	122.4°	180.0°
C6	N2	C2	C1	136.6°	77.6°
C6	N2	C2	H4	104.9°	162.6°
N2	C6	C7	H11	0.4°	2.7°
N2	C2	C1	H4	118.9°	119.8°
N2	C2	C1	H1	58.3°	60.0°
N2	C2	C1	H2	178.3°	180.0°
N2	C2	C1	H3	61.7°	60.0°
N2	C2	C3	H5	60.3°	76.5°
N2	C2	C3	H6	179.1°	163.9°
C2	C1	H1	H2	120.0°	120.1°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H5	176.9°	43.6°
C1	C2	C3	H6	56.3°	75.9°
C1	C2	N2	H12	14.2°	102.4°
H1	C1	H2	H3	120.0°	119.9°
H1	C1	C2	H4	60.6°	59.8°
H2	C1	C2	H4	59.4°	60.2°
H3	C1	C2	H4	179.4°	179.8°
H4	C2	C3	H5	57.5°	163.4°
H4	C2	C3	H6	63.0°	43.8°
H4	C2	N2	H12	132.7°	17.4°
H8	C10	C9	H9	0.6°	0.1°
H9	C9	C8	H10	1.0°	0.6°
H10	C8	C7	H11	1.8°	0.0°

Release date:	2016-04-20
Definition date:	2015-03-12
Last modified:	2021-10-26
Release status:	OBS
Processing site:	RCSB
Replaced by:	986
Derived from:	4YK0