KK9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	sing	1.53Å	1.52Å
C9	C8	sing	1.51Å	1.50Å
C8	N1	sing	1.35Å	1.33Å
C8	O2	doub	1.21Å	1.22Å
N1	C7	sing	1.40Å	1.35Å
C7	C6	doub	1.39Å	1.39Å	Aromatic
C7	C11	sing	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C5	O1	sing	1.36Å	1.37Å
C5	C13	doub	1.39Å	1.38Å	Aromatic
O1	C4	sing	1.36Å	1.37Å
C4	C15	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C16	C1	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.39Å	Aromatic
C1	CL1	sing	1.74Å	1.79Å
C13	C14	sing	1.51Å	1.50Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C3	H12	sing	1.08Å	1.08Å
C6	H13	sing	1.08Å	1.08Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
N1	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	115.4°	109.5°
C9	C10	H1	109.5°	109.5°
C9	C10	H2	109.5°	109.5°
C9	C10	H3	109.5°	109.4°
C10	C9	H14	108.0°	109.4°
C10	C9	H15	108.0°	109.4°
C9	C8	N1	118.9°	120.0°
C9	C8	O2	117.6°	120.0°
C8	C9	H14	108.0°	109.5°
C8	C9	H15	108.0°	109.5°
N1	C8	O2	123.5°	120.0°
C8	N1	C7	118.8°	120.1°
C8	N1	H16	120.6°	120.0°
N1	C7	C6	120.7°	120.0°
N1	C7	C11	119.6°	120.1°
C7	N1	H16	120.6°	119.9°
C6	C7	C11	119.7°	119.9°
C7	C6	C5	119.8°	119.9°
C7	C6	H13	120.1°	120.1°
C7	C11	C12	120.4°	120.0°
C7	C11	H4	119.8°	120.0°
C6	C5	O1	120.3°	120.0°
C6	C5	C13	120.1°	119.9°
C5	C6	H13	120.1°	120.0°
C11	C12	C13	119.6°	120.1°
C12	C11	H4	119.8°	120.0°
C11	C12	H5	120.2°	119.9°
O1	C5	C13	119.6°	120.0°
C5	O1	C4	121.3°	118.0°
C5	C13	C12	120.4°	120.1°
C5	C13	C14	120.0°	120.0°
O1	C4	C15	120.1°	120.0°
O1	C4	C3	119.7°	120.1°
C15	C4	C3	120.1°	119.9°
C4	C15	C16	119.9°	119.9°
C4	C15	H9	120.1°	120.1°
C4	C3	C2	120.0°	120.0°
C4	C3	H12	120.0°	120.0°
C15	C16	C1	120.0°	120.0°
C16	C15	H9	120.1°	120.0°
C15	C16	H10	120.0°	120.0°
C12	C13	C14	119.6°	120.0°
C13	C12	H5	120.2°	119.9°
C3	C2	C1	119.8°	120.0°
C3	C2	H11	120.1°	120.0°
C2	C3	H12	120.0°	120.0°
C16	C1	C2	120.1°	120.1°
C16	C1	CL1	119.5°	119.9°
C1	C16	H10	120.0°	120.0°
C2	C1	CL1	120.4°	120.0°
C1	C2	H11	120.1°	119.9°
C13	C14	H6	109.5°	109.5°
C13	C14	H7	109.5°	109.4°
C13	C14	H8	109.5°	109.4°
H1	C10	H2	109.5°	109.5°
H1	C10	H3	109.4°	109.5°
H2	C10	H3	109.5°	109.5°
H6	C14	H7	109.5°	109.5°
H6	C14	H8	109.5°	109.5°
H7	C14	H8	109.4°	109.5°
H14	C9	H15	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H14	120.9°	120.0°
C10	C9	C8	H15	120.9°	120.0°
C10	C9	C8	N1	16.0°	180.0°
C10	C9	C8	O2	165.7°	0.0°
C9	C10	H1	H2	120.0°	120.0°
C9	C10	H1	H3	120.0°	120.0°
C9	C10	H2	H3	120.0°	120.0°
C10	C9	H14	H15	117.3°	119.9°
C9	C8	N1	O2	178.2°	180.0°
C9	C8	N1	C7	174.3°	176.0°
C8	C9	C10	H1	180.0°	60.0°
C8	C9	C10	H2	60.0°	60.0°
C8	C9	C10	H3	60.0°	180.0°
C8	C9	H14	H15	117.3°	120.1°
C9	C8	N1	H16	5.7°	4.0°
C8	N1	C7	H16	180.0°	179.9°
C8	N1	C7	C6	113.7°	35.3°
C8	N1	C7	C11	64.1°	145.2°
N1	C8	C9	H14	104.9°	60.0°
N1	C8	C9	H15	136.8°	60.0°
O2	C8	N1	C7	3.9°	4.1°
O2	C8	C9	H14	73.4°	120.0°
O2	C8	C9	H15	44.8°	120.0°
O2	C8	N1	H16	176.1°	176.0°
N1	C7	C6	C11	177.8°	179.6°
N1	C7	C6	C5	179.1°	180.0°
N1	C7	C11	C12	179.2°	180.0°
N1	C7	C11	H4	0.8°	0.2°
N1	C7	C6	H13	0.9°	0.1°
C7	C6	C5	H13	180.0°	179.8°
C6	C7	C11	C12	1.4°	0.5°
C7	C6	C5	O1	179.5°	179.8°
C7	C6	C5	C13	0.5°	0.2°
C6	C7	C11	H4	178.6°	179.8°
C6	C7	N1	H16	66.3°	144.8°
C11	C7	C6	C5	1.3°	0.4°
C7	C11	C12	H4	180.0°	179.7°
C7	C11	C12	C13	0.6°	0.2°
C7	C11	C12	H5	179.4°	179.8°
C11	C7	C6	H13	178.6°	179.7°
C11	C7	N1	H16	116.0°	34.8°
C6	C5	O1	C13	180.0°	180.0°
C6	C5	O1	C4	87.9°	5.9°
C6	C5	C13	C12	0.3°	0.1°
C6	C5	C13	C14	179.9°	180.0°
C11	C12	C13	C5	0.2°	0.0°
C11	C12	C13	H5	180.0°	180.0°
C11	C12	C13	C14	179.8°	180.0°
C5	O1	C4	C15	14.3°	113.3°
C5	O1	C4	C3	165.8°	67.0°
O1	C5	C13	C12	179.7°	180.0°
O1	C5	C13	C14	0.1°	0.0°
O1	C5	C6	H13	0.5°	0.1°
C13	C5	O1	C4	92.1°	174.2°
C5	C13	C12	C14	179.5°	180.0°
C5	C13	C12	H5	179.8°	180.0°
C5	C13	C14	H6	90.2°	90.0°
C5	C13	C14	H7	149.7°	30.0°
C5	C13	C14	H8	29.8°	149.9°
C13	C5	C6	H13	179.5°	180.0°
O1	C4	C15	C3	179.9°	179.7°
O1	C4	C15	C16	179.9°	180.0°
O1	C4	C3	C2	180.0°	180.0°
O1	C4	C15	H9	0.1°	0.0°
O1	C4	C3	H12	0.0°	0.0°
C4	C15	C16	H9	180.0°	180.0°
C15	C4	C3	C2	0.1°	0.3°
C4	C15	C16	C1	0.2°	0.0°
C4	C15	C16	H10	179.8°	180.0°
C15	C4	C3	H12	179.9°	179.7°
C3	C4	C15	C16	0.2°	0.3°
C4	C3	C2	H12	180.0°	180.0°
C4	C3	C2	C1	0.0°	0.0°
C3	C4	C15	H9	179.8°	179.7°
C4	C3	C2	H11	180.0°	180.0°
C15	C16	C1	H10	180.0°	180.0°
C15	C16	C1	C2	0.1°	0.3°
C15	C16	C1	CL1	179.9°	180.0°
C13	C12	C11	H4	179.3°	180.0°
C12	C13	C14	H6	90.2°	90.0°
C12	C13	C14	H7	29.8°	150.0°
C12	C13	C14	H8	149.8°	30.0°
C3	C2	C1	C16	0.0°	0.3°
C3	C2	C1	H11	180.0°	180.0°
C3	C2	C1	CL1	180.0°	180.0°
C16	C1	C2	CL1	180.0°	179.7°
C1	C16	C15	H9	179.8°	180.0°
C16	C1	C2	H11	180.0°	179.8°
C2	C1	C16	H10	179.9°	179.8°
C1	C2	C3	H12	180.0°	180.0°
CL1	C1	C16	H10	0.1°	0.1°
CL1	C1	C2	H11	0.0°	0.1°
C14	C13	C12	H5	0.2°	0.0°
C13	C14	H6	H7	120.0°	120.0°
C13	C14	H6	H8	120.0°	120.0°
C13	C14	H7	H8	120.0°	119.9°
H1	C10	H2	H3	120.0°	120.0°
H1	C10	C9	H14	59.1°	60.0°
H1	C10	C9	H15	59.1°	180.0°
H2	C10	C9	H14	60.9°	180.0°
H2	C10	C9	H15	179.2°	60.0°
H3	C10	C9	H14	179.1°	60.0°
H3	C10	C9	H15	60.8°	60.0°
H4	C11	C12	H5	0.7°	0.1°
H6	C14	H7	H8	120.0°	120.1°
H9	C15	C16	H10	0.2°	0.0°
H11	C2	C3	H12	0.0°	0.1°

Release date:	2021-02-03
Definition date:	2020-07-30
Last modified:	2021-01-29
Release status:	REL
Processing site:	PDBJ
Derived from:	7CMM