LDI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O04	C03	doub	1.21Å	1.19Å
C06	C07	sing	1.53Å	1.54Å
C06	C05	sing	1.53Å	1.45Å
C07	N08	sing	1.47Å	1.45Å
C03	C05	sing	1.51Å	1.55Å
C03	N02	sing	1.35Å	1.44Å
O01	N02	sing	1.42Å	1.41Å
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
C05	C20	sing	1.53Å	1.45Å
C18	C13	sing	1.38Å	1.39Å	Aromatic
N08	C09	sing	1.47Å	1.23Å
N08	C19	sing	1.47Å	1.44Å
C16	C15	doub	1.38Å	1.39Å	Aromatic
C09	C10	sing	1.53Å	1.54Å
N11	C10	sing	1.47Å	1.46Å
N11	C12	sing	1.47Å	1.47Å
C20	C19	sing	1.53Å	1.55Å
C13	C12	sing	1.51Å	1.55Å
C13	C14	doub	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C05	H7	sing	1.09Å	1.10Å
C06	H8	sing	1.09Å	1.10Å
C06	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
C07	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C09	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.08Å	1.08Å
C16	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.09Å	1.10Å
C19	H20	sing	1.09Å	1.10Å
N02	H21	sing	0.97Å	1.00Å
N11	H23	sing	1.01Å	1.00Å
O01	H25	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O04	C03	C05	123.0°	120.0°
O04	C03	N02	115.2°	120.1°
C07	C06	C05	115.1°	109.3°
C06	C07	N08	115.9°	109.5°
C07	C06	H8	108.1°	109.5°
C07	C06	H9	108.1°	109.5°
C06	C07	H10	107.8°	109.5°
C06	C07	H11	107.8°	109.5°
C06	C05	C03	110.4°	109.6°
C06	C05	C20	113.2°	109.1°
C06	C05	H7	107.6°	109.6°
C05	C06	H8	108.1°	109.5°
C05	C06	H9	108.0°	109.4°
C07	N08	C09	112.3°	111.0°
C07	N08	C19	114.7°	111.2°
N08	C07	H10	107.8°	109.4°
N08	C07	H11	107.9°	109.4°
C05	C03	N02	121.7°	119.9°
C03	C05	C20	111.3°	109.5°
C03	C05	H7	106.4°	109.5°
C03	N02	O01	120.0°	120.0°
C03	N02	H21	120.0°	120.1°
O01	N02	H21	120.0°	119.9°
N02	O01	H25	109.5°	114.0°
C18	C17	C16	120.1°	120.0°
C17	C18	C13	120.7°	120.0°
C18	C17	H4	119.9°	120.0°
C17	C18	H18	119.6°	120.0°
C17	C16	C15	119.6°	120.0°
C16	C17	H4	119.9°	120.0°
C17	C16	H17	120.2°	120.0°
C05	C20	C19	118.4°	109.3°
C05	C20	H5	107.2°	109.5°
C05	C20	H6	107.2°	109.5°
C20	C05	H7	107.6°	109.5°
C18	C13	C12	120.4°	120.0°
C18	C13	C14	118.6°	120.1°
C13	C18	H18	119.7°	120.0°
C09	N08	C19	113.1°	111.0°
N08	C09	C10	111.9°	109.5°
N08	C09	H12	108.9°	109.4°
N08	C09	H13	108.9°	109.5°
N08	C19	C20	117.8°	109.5°
N08	C19	H19	107.3°	109.4°
N08	C19	H20	107.3°	109.4°
C16	C15	C14	120.1°	120.1°
C16	C15	H3	120.0°	120.0°
C15	C16	H17	120.2°	120.1°
C09	C10	N11	114.2°	109.5°
C09	C10	H1	108.3°	109.5°
C09	C10	H2	108.3°	109.4°
C10	C09	H12	108.9°	109.5°
C10	C09	H13	108.9°	109.5°
C10	N11	C12	111.4°	111.0°
N11	C10	H1	108.3°	109.5°
N11	C10	H2	108.3°	109.5°
C10	N11	H23	109.0°	110.9°
N11	C12	C13	113.9°	109.5°
N11	C12	H14	108.3°	109.5°
N11	C12	H15	108.3°	109.5°
C12	N11	H23	109.0°	111.0°
C19	C20	H5	107.2°	109.5°
C19	C20	H6	107.2°	109.5°
C20	C19	H19	107.4°	109.5°
C20	C19	H20	107.4°	109.5°
C12	C13	C14	121.0°	120.0°
C13	C12	H14	108.4°	109.5°
C13	C12	H15	108.3°	109.4°
C13	C14	C15	120.8°	119.9°
C13	C14	H16	119.6°	120.1°
C14	C15	H3	119.9°	120.0°
C15	C14	H16	119.6°	120.0°
H1	C10	H2	109.5°	109.4°
H5	C20	H6	109.5°	109.5°
H8	C06	H9	109.5°	109.5°
H10	C07	H11	109.5°	109.5°
H12	C09	H13	109.4°	109.5°
H14	C12	H15	109.5°	109.5°
H19	C19	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O04	C03	C05	C06	30.0°	119.7°
O04	C03	C05	N02	179.5°	180.0°
O04	C03	N02	O01	0.9°	0.0°
O04	C03	C05	C20	156.6°	0.0°
O04	C03	C05	H7	86.5°	120.1°
O04	C03	N02	H21	179.1°	180.0°
C07	C06	C05	H8	120.8°	120.0°
C07	C06	C05	H9	120.8°	119.9°
C06	C07	N08	H10	120.9°	120.0°
C06	C07	N08	H11	120.9°	120.0°
C07	C06	C05	C03	169.9°	177.6°
C07	C06	C05	C20	44.3°	57.7°
C06	C07	N08	C09	171.9°	174.1°
C06	C07	N08	C19	40.9°	61.8°
C07	C06	C05	H7	74.4°	62.2°
C07	C06	H8	H9	117.5°	120.1°
C06	C07	H10	H11	117.0°	120.1°
C05	C06	C07	N08	48.8°	59.2°
C06	C05	C03	C20	126.6°	119.7°
C06	C05	C03	H7	116.5°	120.2°
C06	C05	C03	N02	149.5°	60.3°
C06	C05	C20	H7	118.8°	119.9°
C06	C05	C20	C19	35.4°	57.7°
C06	C05	C20	H5	156.6°	177.6°
C06	C05	C20	H6	85.9°	62.3°
C05	C06	H8	H9	117.4°	120.0°
C05	C06	C07	H10	169.7°	179.2°
C05	C06	C07	H11	72.1°	60.8°
C07	N08	C09	C19	131.8°	124.2°
C07	N08	C09	C10	148.0°	170.0°
C07	N08	C19	C20	31.3°	61.8°
N08	C07	C06	H8	169.6°	60.8°
N08	C07	C06	H9	72.0°	179.1°
N08	C07	H10	H11	117.1°	119.9°
C07	N08	C09	H12	27.7°	70.0°
C07	N08	C09	H13	91.6°	50.0°
C07	N08	C19	H19	152.5°	58.3°
C07	N08	C19	H20	89.9°	178.3°
C05	C03	N02	O01	179.6°	180.0°
C03	C05	C20	H7	116.2°	120.1°
C03	C05	C20	C19	160.4°	177.6°
C03	C05	C20	H5	78.3°	62.5°
C03	C05	C20	H6	39.2°	57.6°
C03	C05	C06	H8	69.3°	57.6°
C03	C05	C06	H9	49.0°	62.5°
C05	C03	N02	H21	0.4°	0.0°
C03	N02	O01	H21	180.0°	180.0°
N02	C03	C05	C20	22.9°	180.0°
N02	C03	C05	H7	94.0°	59.9°
C03	N02	O01	H25	0.4°	180.0°
C18	C17	C16	H4	180.0°	180.0°
C17	C18	C13	H18	180.0°	180.0°
C18	C17	C16	C15	0.1°	0.3°
C17	C18	C13	C12	179.6°	180.0°
C17	C18	C13	C14	0.6°	0.3°
C18	C17	C16	H17	179.9°	180.0°
C16	C17	C18	C13	0.4°	0.0°
C17	C16	C15	H17	180.0°	179.7°
C17	C16	C15	C14	0.1°	0.3°
C17	C16	C15	H3	179.9°	179.7°
C16	C17	C18	H18	179.6°	180.0°
C05	C20	C19	N08	29.4°	59.2°
C05	C20	C19	H5	121.3°	119.9°
C05	C20	C19	H6	121.3°	120.0°
C05	C20	H5	H6	115.9°	120.1°
C20	C05	C06	H8	165.2°	62.3°
C20	C05	C06	H9	76.5°	177.6°
C05	C20	C19	H19	150.5°	60.8°
C05	C20	C19	H20	91.8°	179.2°
C18	C13	C12	N11	95.4°	90.3°
C18	C13	C12	C14	179.8°	179.7°
C18	C13	C14	C15	0.6°	0.3°
C13	C18	C17	H4	179.6°	180.0°
C18	C13	C12	H14	144.0°	29.7°
C18	C13	C12	H15	25.2°	149.7°
C18	C13	C14	H16	179.4°	179.7°
N08	C09	C10	H12	120.4°	119.9°
N08	C09	C10	H13	120.4°	120.0°
N08	C09	C10	N11	144.1°	179.9°
C09	N08	C19	C20	161.9°	174.1°
N08	C09	C10	H1	95.2°	59.9°
N08	C09	C10	H2	23.4°	60.0°
C09	N08	C07	H10	67.2°	54.1°
C09	N08	C07	H11	51.0°	65.8°
N08	C09	H12	H13	118.9°	120.0°
C09	N08	C19	H19	76.9°	65.8°
C09	N08	C19	H20	40.8°	54.1°
C19	N08	C09	C10	80.1°	65.8°
N08	C19	C20	H19	121.2°	120.0°
N08	C19	C20	H20	121.2°	120.0°
N08	C19	C20	H5	150.7°	179.1°
N08	C19	C20	H6	91.9°	60.8°
C19	N08	C07	H10	161.8°	178.3°
C19	N08	C07	H11	80.1°	58.3°
C19	N08	C09	H12	159.5°	54.2°
C19	N08	C09	H13	40.2°	174.2°
N08	C19	H19	H20	116.2°	119.9°
C16	C15	C14	C13	0.4°	0.0°
C16	C15	C14	H3	180.0°	179.9°
C15	C16	C17	H4	179.9°	179.7°
C16	C15	C14	H16	179.6°	180.0°
C09	C10	N11	H1	120.7°	120.0°
C09	C10	N11	H2	120.7°	120.0°
C09	C10	N11	C12	171.6°	180.0°
C09	C10	H1	H2	117.8°	119.9°
C10	C09	H12	H13	118.9°	120.0°
C09	C10	N11	H23	68.1°	56.1°
C10	N11	C12	H23	120.3°	123.9°
C10	N11	C12	C13	178.5°	180.0°
N11	C10	H1	H2	117.8°	120.0°
N11	C10	C09	H12	23.7°	60.0°
N11	C10	C09	H13	95.5°	60.0°
C10	N11	C12	H14	57.8°	60.0°
C10	N11	C12	H15	60.9°	60.1°
N11	C12	C13	H14	120.6°	120.0°
N11	C12	C13	H15	120.6°	120.0°
N11	C12	C13	C14	84.8°	90.0°
C12	N11	C10	H1	50.9°	60.0°
C12	N11	C10	H2	67.7°	59.9°
N11	C12	H14	H15	118.0°	120.0°
C19	C20	H5	H6	115.9°	120.1°
C19	C20	C05	H7	83.4°	62.3°
C20	C19	H19	H20	116.3°	120.0°
C12	C13	C14	C15	179.6°	180.0°
C13	C12	H14	H15	118.0°	120.0°
C12	C13	C14	H16	0.4°	0.0°
C12	C13	C18	H18	0.4°	0.0°
C13	C12	N11	H23	61.2°	56.1°
C13	C14	C15	H16	180.0°	180.0°
C13	C14	C15	H3	179.6°	180.0°
C14	C13	C12	H14	35.8°	150.0°
C14	C13	C12	H15	154.5°	30.0°
C14	C13	C18	H18	179.4°	179.7°
C14	C15	C16	H17	179.9°	180.0°
H1	C10	C09	H12	144.4°	60.0°
H1	C10	C09	H13	25.2°	180.0°
H1	C10	N11	H23	171.2°	176.1°
H2	C10	C09	H12	97.0°	179.9°
H2	C10	C09	H13	143.8°	60.0°
H2	C10	N11	H23	52.6°	63.9°
H3	C15	C14	H16	0.4°	0.0°
H3	C15	C16	H17	0.1°	0.1°
H4	C17	C16	H17	0.1°	0.0°
H4	C17	C18	H18	0.4°	0.0°
H5	C20	C05	H7	37.9°	57.7°
H5	C20	C19	H19	88.2°	59.1°
H5	C20	C19	H20	29.5°	60.9°
H6	C20	C05	H7	155.3°	177.8°
H6	C20	C19	H19	29.3°	179.2°
H6	C20	C19	H20	146.9°	59.2°
H7	C05	C06	H8	46.4°	177.8°
H7	C05	C06	H9	164.8°	57.7°
H8	C06	C07	H10	69.4°	59.2°
H8	C06	C07	H11	48.7°	179.3°
H9	C06	C07	H10	48.9°	60.9°
H9	C06	C07	H11	167.1°	59.1°
H14	C12	N11	H23	178.1°	63.9°
H15	C12	N11	H23	59.4°	176.1°
H21	N02	O01	H25	179.6°	0.0°

Release date:	2023-01-11
Definition date:	2022-03-02
Last modified:	2023-01-06
Release status:	REL
Processing site:	RCSB
Derived from:	7U59