EL9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C7	doub	0.00Å	1.41Å	Aromatic
N1	C11	sing	0.00Å	1.41Å	Aromatic
N1	PT1	sing	0.00Å	2.04Å
C2	C3	doub	0.00Å	1.40Å	Aromatic
C2	C1	sing	0.00Å	1.38Å	Aromatic
C3	C4	sing	0.00Å	1.38Å	Aromatic
C3	F1	sing	0.00Å	1.36Å
C4	C5	doub	0.00Å	1.39Å	Aromatic
C5	C6	sing	0.00Å	1.45Å	Aromatic
C5	F2	sing	0.00Å	1.36Å
C6	C1	doub	0.00Å	1.41Å	Aromatic
C6	C7	sing	0.00Å	1.47Å
C1	PT1	sing	0.00Å	2.02Å
C7	C8	sing	0.00Å	1.42Å	Aromatic
C8	C9	doub	0.00Å	1.39Å	Aromatic
C9	C10	sing	0.00Å	1.38Å	Aromatic
C10	C11	doub	0.00Å	1.39Å	Aromatic
PT1	C12	sing	0.00Å	2.18Å
C12	N3	sing	0.00Å	1.44Å
N3	C15	sing	0.00Å	1.46Å
N3	C14	sing	0.00Å	1.37Å
C14	C13	doub	0.00Å	1.36Å
C13	N2	sing	0.00Å	1.34Å
N2	C16	sing	0.00Å	1.38Å
C16	N4	doub	0.00Å	1.22Å	Aromatic
C16	C17	sing	0.00Å	1.40Å	Aromatic
N4	C20	sing	0.00Å	1.40Å	Aromatic
C20	C19	doub	0.00Å	1.40Å	Aromatic
C19	C18	sing	0.00Å	1.40Å	Aromatic
C18	C17	doub	0.00Å	1.40Å	Aromatic
C2	H2	sing	0.00Å	1.08Å
C4	H4	sing	0.00Å	1.08Å
C8	H8	sing	0.00Å	1.08Å
C9	H9	sing	0.00Å	1.08Å
C10	H10	sing	0.00Å	1.08Å
C11	H11	sing	0.00Å	1.08Å
C15	H15	sing	0.00Å	1.10Å
C15	H9L	sing	0.00Å	1.10Å
C15	H9M	sing	0.00Å	1.10Å
C14	H14	sing	0.00Å	1.08Å
C13	H13	sing	0.00Å	1.08Å
C20	H20	sing	0.00Å	1.08Å
C19	H19	sing	0.00Å	1.08Å
C18	H18	sing	0.00Å	1.08Å
C17	H17	sing	0.00Å	1.08Å
N2	C12	sing	0.00Å	1.46Å
N4	PT1	sing	0.00Å	2.41Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	N1	C11	118.5°	90.0°
C7	N1	PT1	115.7°	90.0°
N1	C7	C6	113.3°	90.0°
N1	C7	C8	119.5°	90.0°
C11	N1	PT1	125.7°	90.0°
N1	C11	C10	121.0°	90.0°
N1	C11	H11	119.5°	90.0°
N1	PT1	C1	80.3°	90.0°
N1	PT1	C12	175.7°	90.0°
N1	PT1	N4	108.1°	90.0°
C3	C2	C1	121.5°	90.0°
C2	C3	C4	120.4°	90.0°
C2	C3	F1	119.9°	90.0°
C3	C2	H2	119.3°	90.0°
C2	C1	C6	119.1°	90.0°
C2	C1	PT1	125.0°	90.0°
C1	C2	H2	119.2°	90.0°
C4	C3	F1	119.8°	90.0°
C3	C4	C5	120.1°	90.0°
C3	C4	H4	119.9°	90.0°
C4	C5	C6	119.7°	90.0°
C4	C5	F2	118.3°	90.0°
C5	C4	H4	119.9°	90.0°
C6	C5	F2	122.0°	90.0°
C5	C6	C1	119.2°	90.0°
C5	C6	C7	126.1°	90.0°
C1	C6	C7	114.7°	90.0°
C6	C1	PT1	115.8°	90.0°
C6	C7	C8	127.2°	90.0°
C1	PT1	C12	103.9°	90.0°
C1	PT1	N4	171.6°	90.0°
C7	C8	C9	120.4°	90.0°
C7	C8	H8	119.8°	90.0°
C8	C9	C10	120.3°	90.0°
C9	C8	H8	119.8°	90.0°
C8	C9	H9	119.9°	90.0°
C9	C10	C11	120.3°	90.0°
C10	C9	H9	119.9°	90.0°
C9	C10	H10	119.8°	90.0°
C11	C10	H10	119.8°	90.0°
C10	C11	H11	119.5°	90.0°
PT1	C12	N3	144.1°	90.0°
PT1	C12	N2	116.5°	90.0°
C12	PT1	N4	67.7°	90.0°
C12	N3	C15	127.4°	90.0°
C12	N3	C14	111.0°	90.0°
N3	C12	N2	99.4°	90.0°
C15	N3	C14	121.6°	90.0°
N3	C15	H15	109.5°	90.0°
N3	C15	H9L	109.5°	90.0°
N3	C15	H9M	109.5°	90.0°
N3	C14	C13	109.0°	90.0°
N3	C14	H14	125.5°	90.0°
C14	C13	N2	108.0°	90.0°
C13	C14	H14	125.5°	90.0°
C14	C13	H13	126.0°	90.0°
C13	N2	C16	125.7°	90.0°
N2	C13	H13	126.0°	90.0°
C13	N2	C12	112.6°	90.0°
N2	C16	N4	109.7°	90.0°
N2	C16	C17	126.4°	90.0°
C16	N2	C12	121.7°	90.0°
N4	C16	C17	123.9°	90.0°
C16	N4	C20	121.9°	90.0°
C16	N4	PT1	124.4°	90.0°
C16	C17	C18	118.3°	90.0°
C16	C17	H17	120.9°	90.0°
N4	C20	C19	118.6°	90.0°
N4	C20	H20	120.7°	90.0°
C20	N4	PT1	113.7°	90.0°
C20	C19	C18	118.7°	90.0°
C19	C20	H20	120.7°	90.0°
C20	C19	H19	120.6°	90.0°
C19	C18	C17	118.6°	90.0°
C18	C19	H19	120.6°	90.0°
C19	C18	H18	120.7°	90.0°
C17	C18	H18	120.7°	90.0°
C18	C17	H17	120.9°	90.0°
H15	C15	H9L	109.5°	90.0°
H15	C15	H9M	109.4°	90.0°
H9L	C15	H9M	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	N1	C11	PT1	179.9°	90.0°
N1	C7	C6	C5	179.9°	90.0°
N1	C7	C6	C1	0.0°	90.0°
N1	C7	C6	C8	179.9°	90.0°
C7	N1	PT1	C1	0.1°	90.0°
N1	C7	C8	C9	0.0°	90.0°
C7	N1	C11	C10	0.1°	90.0°
C7	N1	PT1	C12	177.1°	90.0°
N1	C7	C8	H8	180.0°	90.0°
C7	N1	C11	H11	179.9°	90.0°
C7	N1	PT1	N4	179.7°	90.0°
C11	N1	C7	C6	180.0°	90.0°
C11	N1	PT1	C1	180.0°	90.0°
C11	N1	C7	C8	0.0°	90.0°
N1	C11	C10	C9	0.0°	90.0°
N1	C11	C10	H11	180.0°	90.0°
C11	N1	PT1	C12	2.9°	90.0°
N1	C11	C10	H10	179.9°	90.0°
C11	N1	PT1	N4	0.4°	90.0°
N1	PT1	C1	C2	179.9°	90.0°
N1	PT1	C1	C6	0.1°	90.0°
PT1	N1	C7	C6	0.1°	90.0°
N1	PT1	C1	C12	179.8°	90.0°
N1	PT1	C1	N4	177.4°	90.0°
PT1	N1	C7	C8	180.0°	90.0°
PT1	N1	C11	C10	180.0°	90.0°
N1	PT1	C12	N4	3.3°	90.0°
N1	PT1	C12	N3	175.5°	90.0°
N1	PT1	N4	C16	177.8°	90.0°
N1	PT1	N4	C20	0.7°	90.0°
PT1	N1	C11	H11	0.0°	90.0°
N1	PT1	C12	N2	4.4°	90.0°
C3	C2	C1	H2	180.0°	90.0°
C2	C3	C4	F1	180.0°	90.0°
C2	C3	C4	C5	0.0°	90.0°
C3	C2	C1	C6	0.1°	90.0°
C3	C2	C1	PT1	180.0°	90.0°
C2	C3	C4	H4	180.0°	90.0°
C1	C2	C3	C4	0.1°	90.0°
C1	C2	C3	F1	179.9°	90.0°
C2	C1	C6	C5	0.1°	90.0°
C2	C1	C6	PT1	179.9°	90.0°
C2	C1	C6	C7	179.9°	90.0°
C2	C1	PT1	C12	0.4°	90.0°
C2	C1	PT1	N4	2.5°	90.0°
C3	C4	C5	H4	180.0°	90.0°
C3	C4	C5	C6	0.0°	90.0°
C3	C4	C5	F2	179.9°	90.0°
C4	C3	C2	H2	179.9°	90.0°
F1	C3	C4	C5	180.0°	90.0°
F1	C3	C2	H2	0.1°	90.0°
F1	C3	C4	H4	0.0°	90.0°
C4	C5	C6	F2	179.9°	90.0°
C4	C5	C6	C1	0.0°	90.0°
C4	C5	C6	C7	180.0°	90.0°
C5	C6	C1	C7	180.0°	90.0°
C5	C6	C1	PT1	180.0°	90.0°
C5	C6	C7	C8	0.0°	90.0°
C6	C5	C4	H4	180.0°	90.0°
F2	C5	C6	C1	180.0°	90.0°
F2	C5	C6	C7	0.0°	90.0°
F2	C5	C4	H4	0.1°	90.0°
C1	C6	C7	C8	180.0°	90.0°
C6	C1	PT1	C12	179.7°	90.0°
C6	C1	C2	H2	179.9°	90.0°
C6	C1	PT1	N4	177.4°	90.0°
C7	C6	C1	PT1	0.0°	90.0°
C6	C7	C8	C9	179.9°	90.0°
C6	C7	C8	H8	0.1°	90.0°
C1	PT1	C12	N4	179.5°	90.0°
C1	PT1	C12	N3	1.6°	90.0°
C1	PT1	N4	C16	0.5°	90.0°
C1	PT1	N4	C20	176.5°	90.0°
PT1	C1	C2	H2	0.0°	90.0°
C1	PT1	C12	N2	178.5°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	C10	0.0°	90.0°
C7	C8	C9	H9	180.0°	90.0°
C8	C9	C10	H9	180.0°	90.0°
C8	C9	C10	C11	0.0°	90.0°
C8	C9	C10	H10	180.0°	90.0°
C9	C10	C11	H10	180.0°	90.0°
C10	C9	C8	H8	180.0°	90.0°
C9	C10	C11	H11	179.9°	90.0°
C11	C10	C9	H9	180.0°	90.0°
PT1	C12	N3	N2	179.9°	90.0°
PT1	C12	N3	C15	0.0°	90.0°
PT1	C12	N3	C14	180.0°	90.0°
PT1	C12	N2	C13	180.0°	90.0°
PT1	C12	N2	C16	0.1°	90.0°
C12	PT1	N4	C16	2.5°	90.0°
C12	PT1	N4	C20	179.5°	90.0°
C12	N3	C15	C14	180.0°	90.0°
C12	N3	C14	C13	0.1°	90.0°
N3	C12	N2	C13	0.1°	90.0°
N3	C12	N2	C16	179.9°	90.0°
C12	N3	C15	H15	180.0°	90.0°
C12	N3	C15	H9L	60.0°	90.0°
C12	N3	C15	H9M	60.0°	90.0°
C12	N3	C14	H14	179.9°	90.0°
N3	C12	PT1	N4	178.8°	90.0°
C15	N3	C14	C13	179.9°	90.0°
N3	C15	H15	H9L	120.0°	90.0°
N3	C15	H15	H9M	120.0°	90.0°
N3	C15	H9L	H9M	120.0°	90.0°
C15	N3	C14	H14	0.1°	90.0°
C15	N3	C12	N2	179.9°	90.0°
N3	C14	C13	H14	180.0°	90.0°
N3	C14	C13	N2	0.0°	90.0°
C14	N3	C15	H15	0.0°	90.0°
C14	N3	C15	H9L	120.0°	90.0°
C14	N3	C15	H9M	120.0°	90.0°
N3	C14	C13	H13	180.0°	90.0°
C14	N3	C12	N2	0.1°	90.0°
C14	C13	N2	H13	180.0°	90.0°
C14	C13	N2	C16	179.9°	90.0°
C14	C13	N2	C12	0.0°	90.0°
C13	N2	C16	C12	179.9°	90.0°
C13	N2	C16	N4	178.0°	90.0°
C13	N2	C16	C17	2.1°	90.0°
N2	C13	C14	H14	180.0°	90.0°
N2	C16	N4	C17	179.9°	90.0°
N2	C16	N4	C20	179.8°	90.0°
N2	C16	C17	C18	179.8°	90.0°
C16	N2	C13	H13	0.1°	90.0°
N2	C16	C17	H17	0.2°	90.0°
N2	C16	N4	PT1	3.0°	90.0°
C16	N4	C20	PT1	177.1°	90.0°
C16	N4	C20	C19	0.0°	90.0°
N4	C16	C17	C18	0.0°	90.0°
C16	N4	C20	H20	180.0°	90.0°
N4	C16	C17	H17	180.0°	90.0°
N4	C16	N2	C12	1.9°	90.0°
C17	C16	N4	C20	0.0°	90.0°
C16	C17	C18	C19	0.0°	90.0°
C16	C17	C18	H17	180.0°	90.0°
C16	C17	C18	H18	180.0°	90.0°
C17	C16	N2	C12	178.0°	90.0°
C17	C16	N4	PT1	176.9°	90.0°
N4	C20	C19	H20	180.0°	90.0°
N4	C20	C19	C18	0.1°	90.0°
N4	C20	C19	H19	179.9°	90.0°
C20	C19	C18	H19	180.0°	90.0°
C20	C19	C18	C17	0.1°	90.0°
C20	C19	C18	H18	179.9°	90.0°
C19	C20	N4	PT1	177.1°	90.0°
C19	C18	C17	H18	180.0°	90.0°
C18	C19	C20	H20	179.9°	90.0°
C19	C18	C17	H17	179.9°	90.0°
C17	C18	C19	H19	179.9°	90.0°
H8	C8	C9	H9	0.1°	90.0°
H9	C9	C10	H10	0.0°	90.0°
H10	C10	C11	H11	0.1°	90.0°
H15	C15	H9L	H9M	120.0°	90.0°
H14	C14	C13	H13	0.1°	90.0°
H13	C13	N2	C12	180.0°	90.0°
H20	C20	C19	H19	0.1°	90.0°
H20	C20	N4	PT1	2.9°	90.0°
H19	C19	C18	H18	0.1°	90.0°
H18	C18	C17	H17	0.0°	90.0°
N2	C12	PT1	N4	1.0°	90.0°

Release date:	2021-01-13
Definition date:	2020-01-10
Last modified:	2021-01-08
Release status:	REL
Processing site:	PDBJ
Derived from:	6LNZ