L12

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	sing	1.51Å	1.51Å
C4	C11	doub	1.34Å	1.29Å	Aromatic
C4	C21	sing	1.46Å	1.49Å	Aromatic
C5	C6	sing	1.53Å	1.53Å
C5	H5C1	sing	1.09Å	1.12Å
C5	H5C2	sing	1.09Å	1.12Å
C6	C7	sing	1.51Å	1.52Å
C6	H6C1	sing	1.09Å	1.11Å
C6	H6C2	sing	1.09Å	1.11Å
C7	C8	doub	1.39Å	1.39Å	Aromatic
C7	C15	sing	1.39Å	1.39Å	Aromatic
C8	C10	sing	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C10	N12	doub	1.32Å	1.34Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
N12	C13	sing	1.32Å	1.34Å	Aromatic
C13	C15	doub	1.38Å	1.40Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C15	H15	sing	1.08Å	1.10Å
C11	N11	sing	1.37Å	1.27Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C20	C21	doub	1.40Å	1.39Å	Aromatic
C20	C28	sing	1.37Å	1.39Å	Aromatic
C20	H20	sing	1.08Å	1.10Å
C21	C22	sing	1.41Å	1.45Å	Aromatic
C22	C24	doub	1.39Å	1.40Å	Aromatic
C22	N11	sing	1.38Å	1.39Å	Aromatic
C24	C26	sing	1.38Å	1.41Å	Aromatic
C24	H24	sing	1.08Å	1.10Å
C26	C28	doub	1.39Å	1.41Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
N11	HA	sing	0.97Å	1.02Å
C28	H28	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C11	129.0°	126.5°
C5	C4	C21	142.4°	126.5°
C4	C5	C6	110.7°	109.5°
C4	C5	H5C1	111.8°	109.5°
C4	C5	H5C2	111.7°	109.5°
C11	C4	C21	88.6°	107.0°
C4	C11	N11	141.1°	109.9°
C4	C11	H11	109.4°	125.0°
C4	C21	C20	129.7°	134.0°
C4	C21	C22	107.8°	106.1°
C6	C5	H5C1	111.8°	109.4°
C6	C5	H5C2	111.8°	109.5°
C5	C6	C7	111.3°	109.5°
C5	C6	H6C1	111.5°	109.5°
C5	C6	H6C2	111.5°	109.5°
H5C1	C5	H5C2	98.6°	109.4°
C7	C6	H6C1	111.5°	109.5°
C7	C6	H6C2	111.6°	109.5°
C6	C7	C8	120.2°	120.8°
C6	C7	C15	121.6°	120.8°
H6C1	C6	H6C2	98.9°	109.5°
C8	C7	C15	118.1°	118.4°
C7	C8	C10	119.9°	119.2°
C7	C8	H8	120.1°	120.4°
C7	C15	C13	119.8°	119.1°
C7	C15	H15	120.1°	120.4°
C10	C8	H8	120.1°	120.4°
C8	C10	N12	121.3°	120.8°
C8	C10	H10	119.3°	119.6°
N12	C10	H10	119.3°	119.6°
C10	N12	C13	120.2°	121.7°
N12	C13	C15	120.7°	120.8°
N12	C13	H13	119.6°	119.6°
C15	C13	H13	119.6°	119.6°
C13	C15	H15	120.1°	120.4°
N11	C11	H11	109.4°	125.1°
C11	N11	C22	91.4°	109.9°
C11	N11	HA	134.3°	125.1°
C21	C20	C28	118.7°	119.8°
C21	C20	H20	120.7°	120.1°
C20	C21	C22	122.5°	119.9°
C28	C20	H20	120.7°	120.1°
C20	C28	C26	120.4°	120.5°
C20	C28	H28	119.8°	119.8°
C21	C22	C24	117.3°	119.4°
C21	C22	N11	111.1°	107.1°
C24	C22	N11	131.6°	133.5°
C22	C24	C26	120.2°	119.7°
C22	C24	H24	119.9°	120.2°
C22	N11	HA	134.3°	125.1°
C26	C24	H24	119.9°	120.1°
C24	C26	C28	120.9°	120.7°
C24	C26	H26	119.6°	119.7°
C28	C26	H26	119.5°	119.6°
C26	C28	H28	119.8°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C11	C21	179.8°	179.7°
C4	C5	C6	H5C1	125.3°	120.0°
C4	C5	C6	H5C2	125.3°	120.0°
C4	C5	H5C1	H5C2	117.6°	120.0°
C4	C5	C6	C7	70.3°	180.0°
C4	C5	C6	H6C1	164.4°	60.0°
C4	C5	C6	H6C2	54.9°	60.0°
C5	C4	C11	N11	179.4°	179.9°
C5	C4	C11	H11	0.6°	0.0°
C5	C4	C21	C20	0.2°	0.8°
C5	C4	C21	C22	179.9°	179.9°
C11	C4	C5	C6	112.3°	90.0°
C11	C4	C5	H5C1	13.0°	29.9°
C11	C4	C5	H5C2	122.4°	149.9°
C4	C11	N11	H11	180.0°	180.0°
C11	C4	C21	C20	179.9°	179.5°
C11	C4	C21	C22	0.1°	0.4°
C4	C11	N11	C22	1.0°	0.0°
C4	C11	N11	HA	179.0°	180.0°
C21	C4	C5	C6	67.3°	90.3°
C21	C4	C5	H5C1	167.4°	149.7°
C21	C4	C5	H5C2	57.9°	29.7°
C21	C4	C11	N11	0.8°	0.2°
C21	C4	C11	H11	179.2°	179.7°
C4	C21	C20	C22	180.0°	179.0°
C4	C21	C20	C28	179.9°	179.6°
C4	C21	C20	H20	0.1°	0.7°
C4	C21	C22	C24	180.0°	179.8°
C4	C21	C22	N11	0.3°	0.4°
C6	C5	H5C1	H5C2	117.7°	120.0°
C5	C6	C7	H6C1	125.3°	120.0°
C5	C6	C7	H6C2	125.2°	120.0°
C5	C6	H6C1	H6C2	117.4°	120.0°
C5	C6	C7	C8	106.2°	90.0°
C5	C6	C7	C15	73.3°	90.3°
H5C1	C5	C6	C7	54.9°	60.0°
H5C1	C5	C6	H6C1	70.3°	60.1°
H5C1	C5	C6	H6C2	179.8°	180.0°
H5C2	C5	C6	C7	164.4°	60.0°
H5C2	C5	C6	H6C1	39.1°	180.0°
H5C2	C5	C6	H6C2	70.3°	60.0°
C7	C6	H6C1	H6C2	117.5°	120.0°
C6	C7	C8	C15	179.5°	179.7°
C6	C7	C8	C10	179.4°	179.9°
C6	C7	C8	H8	0.6°	0.0°
C6	C7	C15	C13	179.6°	179.8°
C6	C7	C15	H15	0.4°	0.3°
H6C1	C6	C7	C8	128.5°	30.0°
H6C1	C6	C7	C15	52.0°	149.7°
H6C2	C6	C7	C8	19.0°	150.0°
H6C2	C6	C7	C15	161.5°	29.7°
C7	C8	C10	H8	180.0°	179.9°
C7	C8	C10	N12	0.1°	0.2°
C7	C8	C10	H10	179.9°	180.0°
C8	C7	C15	C13	0.1°	0.5°
C8	C7	C15	H15	179.8°	180.0°
C15	C7	C8	C10	0.1°	0.2°
C15	C7	C8	H8	180.0°	179.7°
C7	C15	C13	N12	0.3°	0.5°
C7	C15	C13	H15	180.0°	179.4°
C7	C15	C13	H13	179.7°	179.7°
C8	C10	N12	H10	180.0°	179.8°
C8	C10	N12	C13	0.0°	0.2°
H8	C8	C10	N12	179.9°	180.0°
H8	C8	C10	H10	0.1°	0.1°
C10	N12	C13	C15	0.3°	0.2°
C10	N12	C13	H13	179.7°	180.0°
H10	C10	N12	C13	180.0°	180.0°
N12	C13	C15	H13	180.0°	179.8°
N12	C13	C15	H15	179.7°	180.0°
H13	C13	C15	H15	0.3°	0.2°
C11	N11	C22	C21	0.5°	0.3°
C11	N11	C22	C24	179.8°	180.0°
C11	N11	C22	HA	180.0°	180.0°
H11	C11	N11	C22	179.0°	180.0°
H11	C11	N11	HA	1.0°	0.0°
C21	C20	C28	H20	180.0°	179.8°
C20	C21	C22	C24	0.0°	0.6°
C20	C21	C22	N11	179.7°	179.7°
C21	C20	C28	C26	0.3°	0.2°
C21	C20	C28	H28	179.7°	179.7°
C28	C20	C21	C22	0.1°	0.5°
C20	C28	C26	C24	0.3°	0.1°
C20	C28	C26	H28	180.0°	179.9°
C20	C28	C26	H26	179.7°	180.0°
H20	C20	C21	C22	179.9°	179.7°
H20	C20	C28	C26	179.8°	180.0°
H20	C20	C28	H28	0.2°	0.1°
C21	C22	C24	N11	179.6°	179.7°
C21	C22	C24	C26	0.1°	0.3°
C21	C22	C24	H24	179.9°	179.8°
C21	C22	N11	HA	179.5°	179.7°
C22	C24	C26	H24	180.0°	180.0°
C22	C24	C26	C28	0.2°	0.1°
C22	C24	C26	H26	179.8°	180.0°
C24	C22	N11	HA	0.1°	0.0°
N11	C22	C24	C26	179.7°	180.0°
N11	C22	C24	H24	0.3°	0.1°
C24	C26	C28	H26	180.0°	179.9°
C24	C26	C28	H28	179.7°	180.0°
H24	C24	C26	C28	179.8°	179.9°
H24	C24	C26	H26	0.2°	0.0°
H26	C26	C28	H28	0.3°	0.1°

Definition date:	2004-09-16
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI