ZSO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C	sing	1.38Å	1.39Å	Aromatic
F	C	sing	1.35Å	1.34Å
C2	C3	sing	1.38Å	1.39Å	Aromatic
C14	C13	doub	1.35Å	1.39Å	Aromatic
C14	C15	sing	1.41Å	1.39Å	Aromatic
C	C5	doub	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.40Å	1.39Å	Aromatic
C15	N1	doub	1.32Å	1.34Å	Aromatic
C15	C17	sing	1.47Å	1.38Å	Aromatic
N1	N2	sing	1.40Å	1.42Å	Aromatic
C3	C6	sing	1.51Å	1.48Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C12	O	sing	1.36Å	1.37Å
C12	C18	doub	1.36Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
O	C11	sing	1.43Å	1.43Å
C6	C7	sing	1.53Å	1.52Å
C6	C10	sing	1.53Å	1.52Å
C7	C8	sing	1.53Å	1.52Å
C17	C18	sing	1.41Å	1.39Å	Aromatic
C17	C16	doub	1.38Å	1.43Å	Aromatic
N2	C16	sing	1.34Å	1.35Å	Aromatic
C8	N	sing	1.47Å	1.47Å
C11	C10	sing	1.53Å	1.52Å
C10	C9	sing	1.53Å	1.52Å
C9	N	sing	1.47Å	1.47Å
C5	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
N	H9	sing	1.01Å	1.00Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C18	H17	sing	1.08Å	1.08Å
C14	H18	sing	1.08Å	1.08Å
C13	H19	sing	1.08Å	1.08Å
C16	H20	sing	1.08Å	1.08Å
N2	H21	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C	119.9°	120.0°
C1	C2	C3	120.1°	120.0°
C1	C2	H3	120.0°	120.0°
C2	C1	H4	120.1°	120.0°
C1	C	F	119.8°	120.0°
C1	C	C5	120.1°	120.0°
C	C1	H4	120.1°	120.1°
F	C	C5	120.0°	120.0°
C2	C3	C6	119.4°	119.9°
C2	C3	C4	120.1°	120.1°
C3	C2	H3	120.0°	120.0°
C13	C14	C15	119.1°	119.7°
C14	C13	C12	120.2°	121.8°
C13	C14	H18	120.4°	120.2°
C14	C13	H19	119.9°	119.1°
C14	C15	N1	134.1°	134.6°
C14	C15	C17	120.8°	118.6°
C15	C14	H18	120.5°	120.1°
C	C5	C4	120.0°	120.0°
C	C5	H1	120.0°	120.0°
C13	C12	O	119.5°	119.2°
C13	C12	C18	120.3°	121.6°
C12	C13	H19	119.9°	119.1°
N1	C15	C17	105.1°	106.8°
C15	N1	N2	109.5°	108.9°
C15	C17	C18	120.4°	118.8°
C15	C17	C16	112.3°	106.4°
N1	N2	C16	110.2°	109.9°
N1	N2	H21	124.9°	125.0°
C6	C3	C4	120.5°	120.0°
C3	C6	C7	111.1°	109.5°
C3	C6	C10	109.9°	109.5°
C3	C6	H5	108.6°	109.5°
C3	C4	C5	119.9°	120.0°
C3	C4	H2	120.1°	120.0°
O	C12	C18	120.3°	119.2°
C12	O	C11	120.8°	117.0°
C12	C18	C17	119.2°	119.5°
C12	C18	H17	120.4°	120.2°
C4	C5	H1	120.0°	120.0°
C5	C4	H2	120.1°	120.0°
O	C11	C10	107.8°	109.5°
O	C11	H15	109.9°	109.5°
O	C11	H16	109.9°	109.5°
C7	C6	C10	110.9°	109.2°
C6	C7	C8	110.1°	109.2°
C7	C6	H5	108.1°	109.5°
C6	C7	H13	109.3°	109.5°
C6	C7	H14	109.3°	109.5°
C6	C10	C11	109.9°	109.5°
C6	C10	C9	109.6°	109.3°
C10	C6	H5	108.1°	109.6°
C6	C10	H6	109.4°	109.5°
C7	C8	N	109.5°	109.6°
C7	C8	H11	109.4°	109.5°
C7	C8	H12	109.4°	109.5°
C8	C7	H13	109.3°	109.5°
C8	C7	H14	109.3°	109.5°
C18	C17	C16	127.3°	134.8°
C17	C18	H17	120.4°	120.2°
C17	C16	N2	102.9°	107.9°
C17	C16	H20	128.5°	126.0°
N2	C16	H20	128.5°	126.1°
C16	N2	H21	124.9°	125.0°
C8	N	C9	110.6°	111.2°
C8	N	H9	109.2°	111.0°
N	C8	H11	109.4°	109.4°
N	C8	H12	109.4°	109.5°
C11	C10	C9	109.1°	109.5°
C11	C10	H6	109.4°	109.5°
C10	C11	H15	109.9°	109.4°
C10	C11	H16	109.9°	109.5°
C10	C9	N	110.3°	109.5°
C9	C10	H6	109.4°	109.5°
C10	C9	H7	109.3°	109.5°
C10	C9	H8	109.3°	109.5°
N	C9	H7	109.3°	109.4°
N	C9	H8	109.3°	109.5°
C9	N	H9	109.2°	111.0°
H7	C9	H8	109.5°	109.4°
H11	C8	H12	109.5°	109.4°
H13	C7	H14	109.5°	109.6°
H15	C11	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C	H4	180.0°	179.4°
C2	C1	C	F	179.9°	179.7°
C1	C2	C3	H3	180.0°	179.8°
C2	C1	C	C5	0.3°	0.5°
C1	C2	C3	C6	179.9°	179.7°
C1	C2	C3	C4	0.1°	0.3°
C1	C	F	C5	179.7°	179.8°
C	C1	C2	C3	0.2°	0.5°
C1	C	C5	C4	0.2°	0.3°
C1	C	C5	H1	179.8°	179.8°
C	C1	C2	H3	179.8°	179.7°
F	C	C5	C4	179.9°	180.0°
F	C	C5	H1	0.1°	0.0°
F	C	C1	H4	0.1°	0.3°
C2	C3	C6	C4	179.8°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C2	C3	C6	C7	108.7°	60.0°
C2	C3	C6	C10	128.1°	59.7°
C2	C3	C4	H2	179.9°	180.0°
C3	C2	C1	H4	179.8°	180.0°
C2	C3	C6	H5	10.0°	179.9°
C13	C14	C15	H18	180.0°	179.5°
C14	C13	C12	H19	180.0°	179.5°
C13	C14	C15	N1	179.9°	179.7°
C13	C14	C15	C17	0.0°	0.2°
C14	C13	C12	O	179.8°	179.7°
C14	C13	C12	C18	0.3°	0.5°
C15	C14	C13	C12	0.2°	0.5°
C14	C15	N1	C17	180.0°	180.0°
C14	C15	N1	N2	179.9°	179.9°
C14	C15	C17	C18	0.1°	0.0°
C14	C15	C17	C16	179.9°	180.0°
C15	C14	C13	H19	179.8°	180.0°
C	C5	C4	C3	0.1°	0.0°
C	C5	C4	H1	180.0°	179.9°
C	C5	C4	H2	179.9°	180.0°
C5	C	C1	H4	179.8°	180.0°
C13	C12	O	C18	179.8°	179.7°
C13	C12	O	C11	150.6°	0.3°
C13	C12	C18	C17	0.2°	0.3°
C13	C12	C18	H17	179.8°	179.8°
C12	C13	C14	H18	179.8°	180.0°
N1	C15	C17	C18	179.9°	180.0°
N1	C15	C17	C16	0.1°	0.0°
C15	N1	N2	C16	0.1°	0.0°
N1	C15	C14	H18	0.0°	0.3°
C15	N1	N2	H21	180.0°	179.9°
C17	C15	N1	N2	0.1°	0.0°
C15	C17	C18	C12	0.0°	0.0°
C15	C17	C18	C16	179.7°	180.0°
C15	C17	C16	N2	0.1°	0.0°
C15	C17	C18	H17	180.0°	179.9°
C17	C15	C14	H18	180.0°	179.7°
C15	C17	C16	H20	179.9°	179.9°
N1	N2	C16	C17	0.0°	0.0°
N1	N2	C16	H21	180.0°	179.9°
N1	N2	C16	H20	180.0°	179.9°
C6	C3	C4	C5	179.8°	179.9°
C3	C6	C7	C10	122.6°	119.9°
C3	C6	C7	H5	119.1°	120.1°
C3	C6	C10	H5	118.4°	120.2°
C3	C6	C7	C8	177.7°	177.6°
C3	C6	C10	C11	62.1°	62.5°
C3	C6	C10	C9	178.0°	177.6°
C6	C3	C4	H2	0.1°	0.0°
C6	C3	C2	H3	0.1°	0.1°
C3	C6	C10	H6	58.0°	57.6°
C3	C6	C7	H13	57.6°	57.7°
C3	C6	C7	H14	62.3°	62.5°
C3	C4	C5	H2	180.0°	179.9°
C4	C3	C6	C7	71.5°	120.0°
C4	C3	C6	C10	51.7°	120.3°
C3	C4	C5	H1	179.9°	180.0°
C4	C3	C2	H3	179.9°	179.9°
C4	C3	C6	H5	169.8°	0.1°
O	C12	C18	C17	179.9°	180.0°
C12	O	C11	C10	158.8°	180.0°
C12	O	C11	H15	39.1°	60.1°
C12	O	C11	H16	81.5°	60.0°
O	C12	C18	H17	0.1°	0.1°
O	C12	C13	H19	0.1°	0.3°
C18	C12	O	C11	29.6°	180.0°
C12	C18	C17	H17	180.0°	179.9°
C12	C18	C17	C16	179.7°	180.0°
C18	C12	C13	H19	179.7°	180.0°
O	C11	C10	C6	35.3°	175.0°
O	C11	C10	H15	119.7°	120.0°
O	C11	C10	H16	119.8°	120.1°
O	C11	C10	C9	84.9°	65.1°
O	C11	C10	H6	155.5°	54.9°
O	C11	H15	H16	120.8°	120.1°
C7	C6	C10	H5	118.3°	120.0°
C6	C7	C8	H13	120.1°	119.9°
C6	C7	C8	H14	120.1°	119.9°
C6	C7	C8	N	57.8°	59.2°
C7	C6	C10	C11	174.6°	177.6°
C7	C6	C10	C9	54.7°	57.7°
C7	C6	C10	H6	65.3°	62.3°
C6	C7	C8	H11	177.7°	60.9°
C6	C7	C8	H12	62.2°	179.2°
C6	C7	H13	H14	119.7°	120.1°
C10	C6	C7	C8	55.0°	57.7°
C6	C10	C11	C9	120.2°	119.8°
C6	C10	C11	H6	120.1°	120.1°
C6	C10	C9	H6	120.0°	120.0°
C6	C10	C9	N	57.7°	59.2°
C6	C10	C9	H7	62.4°	60.8°
C6	C10	C9	H8	177.8°	179.2°
C10	C6	C7	H13	65.1°	62.3°
C10	C6	C7	H14	175.1°	177.6°
C6	C10	C11	H15	155.0°	65.0°
C6	C10	C11	H16	84.4°	54.9°
C7	C8	N	H11	120.0°	120.1°
C7	C8	N	H12	120.0°	120.0°
C7	C8	N	C9	61.7°	61.7°
C8	C7	C6	H5	63.3°	62.4°
C7	C8	N	H9	58.5°	62.3°
C7	C8	H11	H12	120.0°	120.0°
C8	C7	H13	H14	119.7°	120.1°
C18	C17	C16	N2	179.8°	180.0°
C18	C17	C16	H20	0.2°	0.1°
C17	C16	N2	H20	180.0°	180.0°
C16	C17	C18	H17	0.3°	0.1°
C17	C16	N2	H21	180.0°	179.9°
C8	N	C9	C10	62.0°	61.7°
C8	N	C9	H9	120.2°	124.1°
C8	N	C9	H7	58.1°	58.3°
C8	N	C9	H8	177.9°	178.2°
N	C8	H11	H12	120.0°	119.9°
N	C8	C7	H13	62.3°	60.8°
N	C8	C7	H14	177.9°	179.1°
C11	C10	C9	H6	119.6°	120.1°
C11	C10	C9	N	178.1°	179.1°
C11	C10	C6	H5	56.3°	57.7°
C11	C10	C9	H7	58.0°	59.1°
C11	C10	C9	H8	61.8°	60.8°
C10	C11	H15	H16	120.8°	120.0°
C10	C9	N	H7	120.1°	120.0°
C10	C9	N	H8	120.1°	120.1°
C9	C10	C6	H5	63.6°	62.3°
C10	C9	H7	H8	119.6°	120.0°
C10	C9	N	H9	58.2°	62.4°
C9	C10	C11	H15	34.8°	54.8°
C9	C10	C11	H16	155.4°	174.8°
N	C9	C10	H6	62.3°	60.8°
N	C9	H7	H8	119.6°	119.9°
C9	N	C8	H11	178.4°	58.4°
C9	N	C8	H12	58.3°	178.3°
H1	C5	C4	H2	0.2°	0.1°
H3	C2	C1	H4	0.2°	0.3°
H5	C6	C10	H6	176.4°	177.7°
H5	C6	C7	H13	176.6°	177.7°
H5	C6	C7	H14	56.8°	57.6°
H6	C10	C9	H7	177.6°	179.2°
H6	C10	C9	H8	57.9°	59.2°
H6	C10	C11	H15	84.8°	174.9°
H6	C10	C11	H16	35.7°	65.1°
H7	C9	N	H9	178.3°	177.6°
H8	C9	N	H9	61.9°	57.7°
H9	N	C8	H11	61.5°	177.6°
H9	N	C8	H12	178.5°	57.7°
H11	C8	C7	H13	57.6°	179.2°
H11	C8	C7	H14	62.2°	59.0°
H12	C8	C7	H13	177.7°	59.3°
H12	C8	C7	H14	57.9°	60.9°
H18	C14	C13	H19	0.2°	0.5°
H20	C16	N2	H21	0.0°	0.0°

Release date:	2017-12-27
Definition date:	2017-07-16
Last modified:	2017-12-22
Release status:	REL
Processing site:	RCSB
Derived from:	5WG5