H04

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C4	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C2	C1	sing	1.53Å	1.50Å
C2	O1	sing	1.43Å	1.43Å
C6	C7	doub	1.38Å	1.39Å	Aromatic
C3	O1	sing	1.36Å	1.36Å
C3	C8	doub	1.39Å	1.41Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C8	N1	sing	1.40Å	1.37Å
N1	C12	sing	1.47Å	1.47Å
N1	C9	sing	1.47Å	1.47Å
C12	C11	sing	1.53Å	1.51Å
C9	C10	sing	1.53Å	1.51Å
C11	N2	sing	1.47Å	1.48Å
C10	N2	sing	1.47Å	1.48Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
N2	H14	sing	1.01Å	1.00Å
C11	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C5	C6	120.5°	120.2°
C5	C4	C3	119.9°	120.1°
C5	C4	H1	120.0°	120.0°
C4	C5	H2	119.8°	119.9°
C5	C6	C7	120.3°	120.1°
C6	C5	H2	119.7°	119.9°
C5	C6	H3	119.8°	120.0°
C4	C3	O1	122.5°	120.1°
C4	C3	C8	120.3°	119.8°
C3	C4	H1	120.1°	119.9°
C1	C2	O1	108.7°	109.4°
C2	C1	H7	109.5°	109.5°
C2	C1	H8	109.5°	109.5°
C2	C1	H9	109.5°	109.5°
C1	C2	H10	109.7°	109.5°
C1	C2	H11	109.6°	109.5°
C2	O1	C3	117.4°	117.0°
O1	C2	H10	109.7°	109.5°
O1	C2	H11	109.7°	109.5°
C6	C7	C8	120.1°	120.0°
C7	C6	H3	119.9°	119.9°
C6	C7	H4	120.0°	120.0°
O1	C3	C8	117.2°	120.1°
C3	C8	C7	118.9°	119.8°
C3	C8	N1	118.6°	120.1°
C7	C8	N1	122.5°	120.1°
C8	C7	H4	119.9°	120.0°
C8	N1	C12	121.3°	111.0°
C8	N1	C9	119.9°	111.0°
C12	N1	C9	118.2°	110.9°
N1	C12	C11	113.8°	109.4°
N1	C12	H18	108.4°	109.5°
N1	C12	H19	108.4°	109.5°
N1	C9	C10	114.5°	109.4°
N1	C9	H12	108.2°	109.5°
N1	C9	H13	108.2°	109.5°
C12	C11	N2	111.4°	109.4°
C12	C11	H16	109.0°	109.5°
C12	C11	H17	109.0°	109.5°
C11	C12	H18	108.4°	109.5°
C11	C12	H19	108.4°	109.5°
C9	C10	N2	112.8°	109.4°
C9	C10	H5	108.6°	109.5°
C9	C10	H6	108.6°	109.5°
C10	C9	H12	108.2°	109.5°
C10	C9	H13	108.2°	109.5°
C11	N2	C10	110.6°	110.9°
C11	N2	H14	109.2°	111.0°
N2	C11	H16	109.0°	109.5°
N2	C11	H17	109.0°	109.5°
N2	C10	H5	108.6°	109.4°
N2	C10	H6	108.6°	109.5°
C10	N2	H14	109.2°	111.0°
H5	C10	H6	109.5°	109.5°
H7	C1	H8	109.4°	109.5°
H7	C1	H9	109.5°	109.4°
H8	C1	H9	109.5°	109.4°
H10	C2	H11	109.5°	109.5°
H12	C9	H13	109.5°	109.5°
H16	C11	H17	109.5°	109.5°
H18	C12	H19	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C5	C6	H2	180.0°	179.9°
C5	C4	C3	H1	180.0°	179.7°
C4	C5	C6	C7	0.8°	0.0°
C5	C4	C3	O1	179.8°	179.8°
C5	C4	C3	C8	0.7°	0.0°
C4	C5	C6	H3	179.2°	179.9°
C6	C5	C4	C3	1.1°	0.0°
C5	C6	C7	H3	180.0°	179.9°
C5	C6	C7	C8	0.3°	0.0°
C6	C5	C4	H1	178.9°	179.7°
C5	C6	C7	H4	179.7°	179.9°
C4	C3	O1	C2	9.5°	0.0°
C4	C3	O1	C8	179.1°	179.8°
C4	C3	C8	C7	0.1°	0.0°
C4	C3	C8	N1	178.7°	179.9°
C3	C4	C5	H2	179.0°	179.9°
C1	C2	O1	H10	119.9°	120.0°
C1	C2	O1	H11	119.9°	120.0°
C1	C2	O1	C3	174.1°	180.0°
C2	C1	H7	H8	120.0°	120.1°
C2	C1	H7	H9	120.0°	120.0°
C2	C1	H8	H9	120.0°	120.0°
C1	C2	H10	H11	120.3°	120.0°
C2	O1	C3	C8	171.4°	179.7°
O1	C2	C1	H7	180.0°	60.0°
O1	C2	C1	H8	60.0°	60.0°
O1	C2	C1	H9	60.0°	180.0°
O1	C2	H10	H11	120.4°	120.0°
C6	C7	C8	C3	0.1°	0.0°
C6	C7	C8	H4	180.0°	179.9°
C6	C7	C8	N1	178.8°	179.9°
C7	C6	C5	H2	179.2°	179.9°
O1	C3	C8	C7	179.3°	179.8°
O1	C3	C8	N1	0.4°	0.3°
O1	C3	C4	H1	0.2°	0.1°
C3	O1	C2	H10	66.0°	60.0°
C3	O1	C2	H11	54.2°	60.0°
C3	C8	C7	N1	178.8°	180.0°
C3	C8	N1	C12	132.6°	120.0°
C3	C8	N1	C9	38.8°	116.2°
C8	C3	C4	H1	179.3°	179.7°
C3	C8	C7	H4	179.9°	179.9°
C7	C8	N1	C12	46.2°	60.0°
C7	C8	N1	C9	142.4°	63.8°
C8	C7	C6	H3	179.7°	179.9°
C8	N1	C12	C9	171.5°	123.9°
C8	N1	C12	C11	151.9°	176.8°
C8	N1	C9	C10	154.8°	176.8°
N1	C8	C7	H4	1.2°	0.0°
C8	N1	C9	H12	34.1°	56.9°
C8	N1	C9	H13	84.4°	63.2°
C8	N1	C12	H18	87.4°	63.2°
C8	N1	C12	H19	31.3°	56.8°
N1	C12	C11	H18	120.6°	120.0°
N1	C12	C11	H19	120.7°	120.0°
C12	N1	C9	C10	33.6°	59.3°
N1	C12	C11	N2	49.0°	58.4°
C12	N1	C9	H12	154.3°	179.3°
C12	N1	C9	H13	87.2°	60.7°
N1	C12	C11	H16	169.3°	61.6°
N1	C12	C11	H17	71.3°	178.4°
N1	C12	H18	H19	118.1°	120.1°
C9	N1	C12	C11	36.6°	59.3°
N1	C9	C10	H12	120.7°	119.9°
N1	C9	C10	H13	120.8°	120.0°
N1	C9	C10	N2	43.2°	58.4°
N1	C9	C10	H5	77.3°	61.5°
N1	C9	C10	H6	163.7°	178.4°
N1	C9	H12	H13	117.7°	120.1°
C9	N1	C12	H18	84.1°	60.7°
C9	N1	C12	H19	157.2°	179.3°
C12	C11	N2	H16	120.3°	120.0°
C12	C11	N2	H17	120.3°	120.0°
C12	C11	N2	C10	59.5°	59.3°
C12	C11	N2	H14	60.6°	64.5°
C12	C11	H16	H17	119.1°	120.0°
C11	C12	H18	H19	118.0°	120.1°
C9	C10	N2	C11	56.7°	59.3°
C9	C10	N2	H5	120.5°	119.9°
C9	C10	N2	H6	120.5°	120.0°
C9	C10	H5	H6	118.5°	120.1°
C10	C9	H12	H13	117.7°	120.1°
C9	C10	N2	H14	63.4°	64.6°
C11	N2	C10	H14	120.2°	123.9°
C11	N2	C10	H5	63.7°	60.6°
C11	N2	C10	H6	177.3°	179.3°
N2	C11	H16	H17	119.1°	120.1°
N2	C11	C12	H18	71.6°	61.6°
N2	C11	C12	H19	169.7°	178.4°
N2	C10	H5	H6	118.5°	120.0°
N2	C10	C9	H12	163.9°	178.4°
N2	C10	C9	H13	77.6°	61.6°
C10	N2	C11	H16	179.9°	60.7°
C10	N2	C11	H17	60.8°	179.3°
H1	C4	C5	H2	1.0°	0.3°
H2	C5	C6	H3	0.8°	0.1°
H3	C6	C7	H4	0.3°	0.0°
H5	C10	C9	H12	43.4°	58.4°
H5	C10	C9	H13	161.9°	178.5°
H5	C10	N2	H14	176.1°	175.5°
H6	C10	C9	H12	75.6°	61.6°
H6	C10	C9	H13	42.9°	58.4°
H6	C10	N2	H14	57.1°	55.5°
H7	C1	H8	H9	120.0°	119.9°
H7	C1	C2	H10	60.1°	60.0°
H7	C1	C2	H11	60.1°	180.0°
H8	C1	C2	H10	59.9°	180.0°
H8	C1	C2	H11	179.9°	60.0°
H9	C1	C2	H10	179.9°	60.0°
H9	C1	C2	H11	59.9°	60.0°
H14	N2	C11	H16	59.7°	175.5°
H14	N2	C11	H17	179.0°	55.4°
H16	C11	C12	H18	48.7°	178.4°
H16	C11	C12	H19	70.0°	58.4°
H17	C11	C12	H18	168.1°	58.4°
H17	C11	C12	H19	49.4°	61.6°

Release date:	2019-03-27
Definition date:	2018-06-08
Last modified:	2019-03-22
Release status:	REL
Processing site:	RCSB
Derived from:	5QGT