PD9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C22	C20	sing	1.53Å	1.54Å
C21	C19	sing	1.53Å	1.54Å
C20	N18	sing	1.47Å	1.49Å
C19	N18	sing	1.47Å	1.49Å
N18	C16	sing	1.35Å	1.38Å
C16	O17	doub	1.22Å	1.23Å
C16	C13	sing	1.47Å	1.56Å
C13	C14	sing	1.43Å	1.37Å
C13	C12	doub	1.38Å	1.55Å
C14	N15	trip	1.14Å	1.08Å
C12	C11	sing	1.46Å	1.40Å
C10	C11	doub	1.40Å	1.40Å	Aromatic
C10	C8	sing	1.38Å	1.40Å	Aromatic
C11	C5	sing	1.40Å	1.40Å	Aromatic
O9	C8	sing	1.36Å	1.36Å
C8	C6	doub	1.40Å	1.40Å	Aromatic
C5	C4	doub	1.38Å	1.40Å	Aromatic
C6	C4	sing	1.39Å	1.40Å	Aromatic
C6	O7	sing	1.36Å	1.36Å
C4	N20	sing	1.48Å	1.35Å
N20	O22	sing	1.22Å	1.45Å
N20	O21	doub	1.22Å	1.46Å
C5	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C19	H4	sing	1.09Å	1.10Å
C19	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C20	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C21	H9	sing	1.09Å	1.10Å
C21	H10	sing	1.09Å	1.10Å
O7	H11	sing	0.97Å	0.95Å
O9	H12	sing	0.97Å	0.95Å
C22	H13	sing	1.09Å	1.10Å
C22	H14	sing	1.09Å	1.10Å
C22	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	C20	N18	114.6°	109.5°
C22	C20	H6	108.2°	109.4°
C22	C20	H7	108.2°	109.5°
C20	C22	H13	109.5°	109.5°
C20	C22	H14	109.5°	109.4°
C20	C22	H15	109.4°	109.5°
C21	C19	N18	110.6°	109.5°
C21	C19	H4	109.2°	109.5°
C21	C19	H5	109.2°	109.5°
C19	C21	H8	109.5°	109.4°
C19	C21	H9	109.5°	109.5°
C19	C21	H10	109.5°	109.4°
C20	N18	C19	113.5°	120.0°
C20	N18	C16	119.9°	120.0°
N18	C20	H6	108.2°	109.5°
N18	C20	H7	108.2°	109.5°
C19	N18	C16	126.5°	120.0°
N18	C19	H4	109.2°	109.5°
N18	C19	H5	109.2°	109.4°
N18	C16	O17	120.9°	120.0°
N18	C16	C13	123.1°	120.0°
O17	C16	C13	115.9°	120.0°
C16	C13	C14	123.1°	120.0°
C16	C13	C12	119.6°	119.9°
C14	C13	C12	117.3°	120.0°
C13	C14	N15	179.0°	179.9°
C13	C12	C11	120.5°	120.0°
C13	C12	H3	119.7°	120.1°
C12	C11	C10	121.7°	120.1°
C12	C11	C5	118.6°	120.2°
C11	C12	H3	119.7°	120.0°
C11	C10	C8	119.8°	119.9°
C10	C11	C5	119.7°	119.7°
C11	C10	H2	120.1°	120.1°
C10	C8	O9	122.3°	120.1°
C10	C8	C6	120.1°	120.0°
C8	C10	H2	120.0°	120.0°
C11	C5	C4	120.8°	120.0°
C11	C5	H1	119.6°	120.0°
O9	C8	C6	117.6°	119.9°
C8	O9	H12	109.5°	114.0°
C8	C6	C4	120.9°	120.2°
C8	C6	O7	118.7°	119.9°
C5	C4	C6	118.6°	120.2°
C5	C4	N20	122.2°	119.9°
C4	C5	H1	119.6°	120.0°
C4	C6	O7	120.4°	119.9°
C6	C4	N20	119.2°	119.9°
C6	O7	H11	109.5°	114.0°
C4	N20	O22	118.8°	120.0°
C4	N20	O21	120.5°	120.0°
O22	N20	O21	120.7°	120.0°
H4	C19	H5	109.5°	109.4°
H6	C20	H7	109.5°	109.5°
H8	C21	H9	109.5°	109.5°
H8	C21	H10	109.5°	109.5°
H9	C21	H10	109.5°	109.5°
H13	C22	H14	109.5°	109.4°
H13	C22	H15	109.5°	109.5°
H14	C22	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	C20	N18	H6	120.7°	119.9°
C22	C20	N18	H7	120.7°	120.0°
C22	C20	N18	C19	45.2°	97.9°
C22	C20	N18	C16	139.2°	82.1°
C22	C20	H6	H7	117.7°	120.0°
C20	C22	H13	H14	120.0°	119.9°
C20	C22	H13	H15	120.0°	120.1°
C20	C22	H14	H15	120.0°	120.0°
C21	C19	N18	C20	104.7°	90.0°
C21	C19	N18	H4	120.2°	120.0°
C21	C19	N18	H5	120.2°	120.1°
C21	C19	N18	C16	80.0°	90.0°
C21	C19	H4	H5	119.5°	120.0°
C19	C21	H8	H9	120.0°	120.0°
C19	C21	H8	H10	120.0°	120.0°
C19	C21	H9	H10	120.0°	120.0°
C20	N18	C19	C16	175.3°	180.0°
C20	N18	C16	O17	2.8°	178.0°
C20	N18	C16	C13	178.0°	1.9°
C20	N18	C19	H4	135.2°	30.0°
C20	N18	C19	H5	15.5°	150.0°
N18	C20	H6	H7	117.7°	120.0°
N18	C20	C22	H13	180.0°	180.0°
N18	C20	C22	H14	60.0°	60.0°
N18	C20	C22	H15	60.0°	60.0°
C19	N18	C16	O17	177.9°	2.0°
C19	N18	C16	C13	2.9°	178.1°
N18	C19	H4	H5	119.5°	119.9°
C19	N18	C20	H6	75.6°	142.1°
C19	N18	C20	H7	165.9°	22.1°
N18	C19	C21	H8	180.0°	60.0°
N18	C19	C21	H9	60.0°	180.0°
N18	C19	C21	H10	60.0°	60.0°
N18	C16	O17	C13	179.2°	179.9°
N18	C16	C13	C14	0.9°	7.4°
N18	C16	C13	C12	177.6°	172.6°
C16	N18	C19	H4	40.2°	150.0°
C16	N18	C19	H5	159.8°	30.1°
C16	N18	C20	H6	100.1°	37.8°
C16	N18	C20	H7	18.4°	157.8°
O17	C16	C13	C14	179.8°	172.5°
O17	C16	C13	C12	1.6°	7.4°
C16	C13	C14	C12	178.6°	180.0°
C16	C13	C14	N15	152.4°	57.0°
C16	C13	C12	C11	177.8°	172.2°
C16	C13	C12	H3	2.2°	7.9°
C14	C13	C12	C11	3.5°	7.8°
C14	C13	C12	H3	176.4°	172.1°
C12	C13	C14	N15	26.2°	123.0°
C13	C12	C11	H3	180.0°	179.9°
C13	C12	C11	C10	93.0°	27.8°
C13	C12	C11	C5	86.7°	151.9°
C12	C11	C10	C5	179.7°	179.7°
C12	C11	C10	C8	179.7°	180.0°
C12	C11	C5	C4	179.6°	179.7°
C12	C11	C5	H1	0.5°	0.2°
C12	C11	C10	H2	0.3°	0.3°
C11	C10	C8	H2	180.0°	179.7°
C11	C10	C8	O9	180.0°	180.0°
C11	C10	C8	C6	0.0°	0.3°
C10	C11	C5	C4	0.1°	0.0°
C10	C11	C5	H1	179.8°	179.9°
C10	C11	C12	H3	87.0°	152.3°
C8	C10	C11	C5	0.0°	0.3°
C10	C8	O9	C6	180.0°	179.7°
C10	C8	C6	C4	0.1°	0.0°
C10	C8	C6	O7	179.7°	180.0°
C10	C8	O9	H12	180.0°	90.0°
C11	C5	C4	H1	180.0°	180.0°
C11	C5	C4	C6	0.2°	0.3°
C11	C5	C4	N20	179.7°	180.0°
C5	C11	C10	H2	180.0°	180.0°
C5	C11	C12	H3	93.3°	28.0°
O9	C8	C6	C4	179.9°	179.7°
O9	C8	C6	O7	0.3°	0.3°
O9	C8	C10	H2	0.0°	0.3°
C8	C6	C4	C5	0.2°	0.3°
C8	C6	C4	O7	179.6°	180.0°
C8	C6	C4	N20	179.7°	180.0°
C6	C8	C10	H2	180.0°	180.0°
C8	C6	O7	H11	164.8°	90.0°
C6	C8	O9	H12	0.0°	90.3°
C5	C4	C6	N20	179.5°	179.7°
C5	C4	C6	O7	179.8°	179.7°
C5	C4	N20	O22	33.1°	0.0°
C5	C4	N20	O21	148.0°	180.0°
C6	C4	N20	O22	146.4°	179.7°
C6	C4	N20	O21	32.6°	0.3°
C6	C4	C5	H1	179.7°	179.8°
C4	C6	O7	H11	14.8°	90.0°
O7	C6	C4	N20	0.7°	0.0°
C4	N20	O22	O21	178.9°	180.0°
N20	C4	C5	H1	0.2°	0.1°
H4	C19	C21	H8	59.8°	180.0°
H4	C19	C21	H9	60.2°	60.0°
H4	C19	C21	H10	179.8°	60.0°
H5	C19	C21	H8	59.8°	60.0°
H5	C19	C21	H9	179.8°	60.0°
H5	C19	C21	H10	60.2°	180.0°
H6	C20	C22	H13	59.3°	60.1°
H6	C20	C22	H14	60.7°	180.0°
H6	C20	C22	H15	179.3°	60.0°
H7	C20	C22	H13	59.3°	59.9°
H7	C20	C22	H14	179.3°	60.0°
H7	C20	C22	H15	60.7°	180.0°
H8	C21	H9	H10	120.0°	120.1°
H13	C22	H14	H15	120.0°	120.0°

Release date:	2019-07-10
Definition date:	2015-10-30
Last modified:	2019-07-05
Release status:	REL
Processing site:	PDBJ
Derived from:	5EH3