EHR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.39Å	1.40Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C8	C14	sing	1.48Å	1.49Å
C8	C7	doub	1.40Å	1.40Å	Aromatic
C12	C7	sing	1.39Å	1.39Å	Aromatic
C15	C14	doub	1.39Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C14	C19	sing	1.39Å	1.39Å	Aromatic
C7	N1	sing	1.40Å	1.41Å
C16	C17	doub	1.38Å	1.38Å	Aromatic
C19	C18	doub	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.37Å	Aromatic
N1	C2	sing	1.39Å	1.41Å
C3	C2	doub	1.39Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.40Å	1.42Å	Aromatic
O2	C13	doub	1.22Å	1.25Å
C4	C5	doub	1.39Å	1.37Å	Aromatic
C1	C13	sing	1.47Å	1.49Å
C1	C6	doub	1.40Å	1.39Å	Aromatic
C13	O1	sing	1.35Å	1.23Å
C5	C6	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
N1	H8	sing	0.97Å	1.00Å
C3	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C17	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
O1	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C11	119.7°	120.3°
C10	C9	C8	121.5°	119.9°
C10	C9	H5	119.2°	120.1°
C9	C10	H6	120.2°	119.8°
C10	C11	C12	120.1°	120.4°
C10	C11	H4	119.9°	119.8°
C11	C10	H6	120.2°	119.9°
C9	C8	C14	120.0°	120.2°
C9	C8	C7	118.0°	119.7°
C8	C9	H5	119.3°	120.0°
C11	C12	C7	120.7°	120.0°
C12	C11	H4	119.9°	119.8°
C11	C12	H7	119.7°	120.0°
C14	C8	C7	121.9°	120.1°
C8	C14	C15	121.6°	120.1°
C8	C14	C19	120.7°	120.1°
C8	C7	C12	119.9°	119.7°
C8	C7	N1	118.5°	120.2°
C12	C7	N1	121.5°	120.1°
C7	C12	H7	119.6°	120.0°
C14	C15	C16	120.9°	119.9°
C15	C14	C19	117.7°	119.7°
C14	C15	H10	119.6°	120.0°
C15	C16	C17	120.5°	120.1°
C16	C15	H10	119.5°	120.0°
C15	C16	H11	119.8°	119.9°
C14	C19	C18	121.2°	119.8°
C14	C19	H14	119.4°	120.1°
C7	N1	C2	132.5°	120.0°
C7	N1	H8	113.7°	120.0°
C16	C17	C18	119.6°	120.3°
C17	C16	H11	119.8°	120.0°
C16	C17	H12	120.2°	119.8°
C19	C18	C17	120.1°	120.2°
C19	C18	H13	119.9°	119.9°
C18	C19	H14	119.4°	120.1°
C18	C17	H12	120.2°	119.9°
C17	C18	H13	120.0°	119.9°
N1	C2	C3	121.7°	120.2°
N1	C2	C1	119.9°	120.2°
C2	N1	H8	113.7°	120.0°
C2	C3	C4	120.9°	120.0°
C3	C2	C1	118.3°	119.7°
C2	C3	H9	119.5°	120.0°
C3	C4	C5	120.5°	120.5°
C3	C4	H1	119.7°	119.8°
C4	C3	H9	119.5°	119.9°
C2	C1	C13	122.8°	120.2°
C2	C1	C6	119.1°	119.6°
O2	C13	C1	117.8°	120.0°
O2	C13	O1	124.8°	120.0°
C4	C5	C6	119.9°	120.3°
C5	C4	H1	119.8°	119.7°
C4	C5	H2	120.1°	119.9°
C13	C1	C6	118.1°	120.2°
C1	C13	O1	117.4°	120.0°
C1	C6	C5	121.3°	119.9°
C1	C6	H3	119.4°	120.1°
C13	O1	H15	109.5°	117.0°
C6	C5	H2	120.1°	119.8°
C5	C6	H3	119.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C11	H6	180.0°	179.9°
C10	C9	C8	H5	180.0°	179.7°
C9	C10	C11	C12	0.4°	0.0°
C10	C9	C8	C14	178.6°	179.7°
C10	C9	C8	C7	2.0°	0.8°
C9	C10	C11	H4	179.5°	179.7°
C11	C10	C9	C8	0.1°	0.5°
C10	C11	C12	H4	180.0°	179.6°
C10	C11	C12	C7	0.9°	0.3°
C11	C10	C9	H5	179.9°	179.8°
C10	C11	C12	H7	179.1°	179.7°
C9	C8	C14	C7	176.4°	179.5°
C9	C8	C7	C12	3.3°	0.5°
C9	C8	C14	C15	64.7°	129.7°
C9	C8	C14	C19	115.1°	50.5°
C9	C8	C7	N1	179.3°	179.5°
C8	C9	C10	H6	179.9°	179.4°
C11	C12	C7	C8	2.8°	0.0°
C11	C12	C7	H7	180.0°	180.0°
C11	C12	C7	N1	178.7°	180.0°
C12	C11	C10	H6	179.5°	179.9°
C14	C8	C7	C12	179.8°	180.0°
C8	C14	C15	C19	179.8°	179.8°
C8	C14	C15	C16	179.6°	179.8°
C14	C8	C7	N1	4.2°	0.0°
C8	C14	C19	C18	179.9°	179.8°
C14	C8	C9	H5	1.4°	0.0°
C8	C14	C15	H10	0.4°	0.2°
C8	C14	C19	H14	0.1°	0.1°
C8	C7	C12	N1	175.9°	179.9°
C7	C8	C14	C15	118.9°	49.8°
C7	C8	C14	C19	61.3°	130.0°
C8	C7	N1	C2	163.1°	175.3°
C7	C8	C9	H5	178.0°	179.5°
C8	C7	C12	H7	177.2°	180.0°
C8	C7	N1	H8	16.9°	4.7°
C12	C7	N1	C2	20.9°	4.8°
C7	C12	C11	H4	179.1°	179.9°
C12	C7	N1	H8	159.1°	175.2°
C14	C15	C16	H10	180.0°	180.0°
C14	C15	C16	C17	0.6°	0.0°
C15	C14	C19	C18	0.3°	0.0°
C14	C15	C16	H11	179.4°	180.0°
C15	C14	C19	H14	179.7°	179.7°
C16	C15	C14	C19	0.6°	0.0°
C15	C16	C17	H11	180.0°	180.0°
C15	C16	C17	C18	0.3°	0.0°
C15	C16	C17	H12	179.7°	179.9°
C14	C19	C18	H14	180.0°	179.7°
C14	C19	C18	C17	0.1°	0.0°
C19	C14	C15	H10	179.4°	180.0°
C14	C19	C18	H13	179.9°	180.0°
C7	N1	C2	H8	180.0°	180.0°
C7	N1	C2	C3	21.1°	102.8°
C7	N1	C2	C1	160.4°	77.8°
N1	C7	C12	H7	1.3°	0.1°
C16	C17	C18	C19	0.1°	0.0°
C16	C17	C18	H12	180.0°	180.0°
C17	C16	C15	H10	179.4°	180.0°
C16	C17	C18	H13	179.9°	180.0°
C19	C18	C17	H13	180.0°	180.0°
C19	C18	C17	H12	179.9°	180.0°
C18	C17	C16	H11	179.6°	180.0°
C17	C18	C19	H14	180.0°	179.7°
N1	C2	C3	C1	178.5°	179.4°
N1	C2	C3	C4	179.3°	180.0°
N1	C2	C1	C13	0.3°	0.3°
N1	C2	C1	C6	179.1°	179.7°
N1	C2	C3	H9	0.7°	0.6°
C2	C3	C4	H9	180.0°	179.4°
C2	C3	C4	C5	0.8°	0.1°
C3	C2	C1	C13	178.8°	179.8°
C3	C2	C1	C6	0.6°	0.9°
C2	C3	C4	H1	179.2°	179.7°
C3	C2	N1	H8	158.8°	77.3°
C4	C3	C2	C1	0.9°	0.6°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	C6	0.4°	0.2°
C3	C4	C5	H2	179.6°	179.8°
C2	C1	C13	O2	21.2°	6.9°
C2	C1	C13	C6	179.4°	179.4°
C2	C1	C13	O1	160.8°	173.2°
C2	C1	C6	C5	0.3°	0.6°
C2	C1	C6	H3	179.7°	179.5°
C1	C2	N1	H8	19.6°	102.2°
C1	C2	C3	H9	179.1°	180.0°
O2	C13	C1	O1	177.9°	180.0°
O2	C13	C1	C6	158.2°	173.8°
O2	C13	O1	H15	0.0°	0.1°
C4	C5	C6	C1	0.2°	0.1°
C4	C5	C6	H2	180.0°	180.0°
C4	C5	C6	H3	179.8°	179.9°
C5	C4	C3	H9	179.2°	179.4°
C13	C1	C6	C5	179.2°	180.0°
C13	C1	C6	H3	0.8°	0.1°
C1	C13	O1	H15	177.8°	180.0°
C6	C1	C13	O1	19.7°	6.2°
C1	C6	C5	H3	180.0°	179.9°
C1	C6	C5	H2	179.8°	180.0°
C6	C5	C4	H1	179.6°	180.0°
H1	C4	C5	H2	0.4°	0.0°
H1	C4	C3	H9	0.8°	0.3°
H2	C5	C6	H3	0.2°	0.1°
H4	C11	C10	H6	0.5°	0.4°
H4	C11	C12	H7	0.9°	0.1°
H5	C9	C10	H6	0.1°	0.3°
H10	C15	C16	H11	0.6°	0.0°
H11	C16	C17	H12	0.4°	0.0°
H12	C17	C18	H13	0.1°	0.0°
H13	C18	C19	H14	0.0°	0.3°

Release date:	2020-04-15
Definition date:	2019-12-24
Last modified:	2020-04-10
Release status:	REL
Processing site:	PDBJ
Derived from:	6LJS