OHZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	O2	sing	1.43Å	1.42Å
C15	C14	sing	1.53Å	1.52Å
C14	C13	sing	1.51Å	1.52Å
C12	C13	doub	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C13	C8	sing	1.39Å	1.41Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C8	C9	doub	1.39Å	1.40Å	Aromatic
C8	N1	sing	1.40Å	1.43Å
C10	C9	sing	1.38Å	1.39Å	Aromatic
N1	C	sing	1.35Å	1.37Å
C	N	sing	1.35Å	1.37Å
C	O	doub	1.22Å	1.23Å
N	C1	sing	1.40Å	1.42Å
C1	C2	doub	1.39Å	1.39Å	Aromatic
C1	C7	sing	1.39Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.38Å	Aromatic
C7	C5	doub	1.39Å	1.39Å	Aromatic
CL	C3	sing	1.74Å	1.74Å
C3	C4	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C5	O1	sing	1.36Å	1.42Å
O1	C6	sing	1.43Å	1.33Å
C6	F	sing	1.40Å	1.33Å
C6	F1	sing	1.40Å	1.33Å
C6	F2	sing	1.40Å	1.32Å
C2	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
N	H10	sing	0.97Å	1.00Å
N1	H11	sing	0.97Å	1.00Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
O2	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C15	C14	109.6°	109.5°
O2	C15	H12	109.4°	109.4°
O2	C15	H13	109.5°	109.5°
C15	O2	H14	109.5°	114.0°
C15	C14	C13	112.8°	109.4°
C15	C14	H8	108.6°	109.4°
C15	C14	H9	108.6°	109.5°
C14	C15	H12	109.5°	109.5°
C14	C15	H13	109.4°	109.4°
C14	C13	C12	119.3°	120.0°
C14	C13	C8	122.1°	120.0°
C13	C14	H8	108.7°	109.5°
C13	C14	H9	108.6°	109.5°
C13	C12	C11	121.0°	120.1°
C12	C13	C8	118.6°	120.0°
C13	C12	H7	119.5°	120.0°
C12	C11	C10	120.2°	120.2°
C12	C11	H6	119.9°	119.9°
C11	C12	H7	119.5°	120.0°
C13	C8	C9	120.0°	119.8°
C13	C8	N1	118.4°	120.1°
C11	C10	C9	120.1°	120.0°
C11	C10	H5	119.9°	120.0°
C10	C11	H6	119.9°	119.9°
C9	C8	N1	121.4°	120.0°
C8	C9	C10	120.1°	119.9°
C8	C9	H4	120.0°	120.1°
C8	N1	C	127.7°	120.0°
C8	N1	H11	116.1°	120.0°
C10	C9	H4	120.0°	120.0°
C9	C10	H5	119.9°	120.0°
N1	C	N	112.4°	120.0°
N1	C	O	123.7°	120.0°
C	N1	H11	116.1°	120.0°
N	C	O	123.7°	120.0°
C	N	C1	127.9°	120.0°
C	N	H10	116.1°	120.0°
N	C1	C2	119.6°	120.1°
N	C1	C7	120.4°	120.0°
C1	N	H10	116.0°	120.0°
C2	C1	C7	120.0°	119.9°
C1	C2	C3	118.9°	120.0°
C1	C2	H1	120.5°	120.0°
C1	C7	C5	119.5°	119.9°
C1	C7	H3	120.3°	120.1°
C2	C3	CL	118.9°	120.0°
C2	C3	C4	122.2°	120.1°
C3	C2	H1	120.6°	120.0°
C7	C5	C4	121.3°	119.9°
C7	C5	O1	117.9°	120.1°
C5	C7	H3	120.2°	120.0°
CL	C3	C4	118.8°	119.9°
C3	C4	C5	118.0°	120.1°
C3	C4	H2	121.0°	120.0°
C4	C5	O1	120.1°	120.0°
C5	C4	H2	121.0°	119.9°
C5	O1	C6	119.1°	117.0°
O1	C6	F	109.7°	109.5°
O1	C6	F1	112.6°	109.5°
O1	C6	F2	111.5°	109.5°
F	C6	F1	107.9°	109.5°
F	C6	F2	107.2°	109.5°
F1	C6	F2	107.7°	109.4°
H8	C14	H9	109.5°	109.5°
H12	C15	H13	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C15	C14	H12	120.0°	119.9°
O2	C15	C14	H13	120.0°	120.0°
O2	C15	C14	C13	143.9°	180.0°
O2	C15	C14	H8	95.5°	60.0°
O2	C15	C14	H9	23.5°	60.0°
O2	C15	H12	H13	120.0°	120.1°
C15	C14	C13	H8	120.5°	120.0°
C15	C14	C13	H9	120.5°	120.0°
C15	C14	C13	C12	109.1°	95.0°
C15	C14	C13	C8	73.1°	85.3°
C15	C14	H8	H9	118.5°	119.9°
C14	C15	H12	H13	119.9°	120.0°
C14	C15	O2	H14	180.0°	180.0°
C14	C13	C12	C8	177.9°	179.7°
C14	C13	C12	C11	178.9°	179.9°
C14	C13	C8	C9	179.6°	179.8°
C14	C13	C8	N1	4.4°	0.0°
C14	C13	C12	H7	1.1°	0.3°
C13	C14	H8	H9	118.4°	120.1°
C13	C14	C15	H12	23.9°	60.1°
C13	C14	C15	H13	96.0°	60.0°
C13	C12	C11	H7	180.0°	179.8°
C13	C12	C11	C10	0.9°	0.1°
C12	C13	C8	C9	2.6°	0.5°
C12	C13	C8	N1	173.4°	179.7°
C13	C12	C11	H6	179.2°	180.0°
C12	C13	C14	H8	11.4°	25.0°
C12	C13	C14	H9	130.4°	145.0°
C11	C12	C13	C8	1.0°	0.2°
C12	C11	C10	H6	180.0°	179.9°
C12	C11	C10	C9	1.2°	0.0°
C12	C11	C10	H5	178.8°	179.9°
C13	C8	C9	N1	175.8°	179.7°
C13	C8	C9	C10	2.3°	0.6°
C13	C8	N1	C	172.2°	145.5°
C13	C8	C9	H4	177.8°	179.7°
C8	C13	C12	H7	178.9°	180.0°
C8	C13	C14	H8	166.4°	154.7°
C8	C13	C14	H9	47.4°	34.7°
C13	C8	N1	H11	7.8°	34.4°
C11	C10	C9	C8	0.4°	0.3°
C11	C10	C9	H5	180.0°	179.9°
C11	C10	C9	H4	179.7°	180.0°
C10	C11	C12	H7	179.2°	179.7°
C8	C9	C10	H4	180.0°	179.7°
C9	C8	N1	C	3.6°	34.7°
C8	C9	C10	H5	179.6°	179.8°
C9	C8	N1	H11	176.3°	145.3°
N1	C8	C9	C10	173.6°	179.7°
C8	N1	C	H11	180.0°	180.0°
C8	N1	C	N	171.3°	175.4°
C8	N1	C	O	4.4°	4.6°
N1	C8	C9	H4	6.4°	0.0°
C9	C10	C11	H6	178.8°	179.9°
N1	C	N	O	175.8°	180.0°
N1	C	N	C1	164.3°	175.4°
N1	C	N	H10	15.7°	4.6°
C	N	C1	H10	180.0°	180.0°
C	N	C1	C2	177.7°	144.9°
C	N	C1	C7	5.7°	35.4°
N	C	N1	H11	8.6°	4.6°
O	C	N	C1	11.5°	4.6°
O	C	N	H10	168.6°	175.4°
O	C	N1	H11	175.6°	175.5°
N	C1	C2	C7	176.7°	179.7°
N	C1	C2	C3	177.0°	179.7°
N	C1	C7	C5	175.5°	179.7°
N	C1	C2	H1	3.0°	0.2°
N	C1	C7	H3	4.4°	0.2°
C1	C2	C3	H1	180.0°	179.9°
C2	C1	C7	C5	1.1°	0.0°
C1	C2	C3	CL	177.4°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C2	C1	C7	H3	178.9°	180.0°
C2	C1	N	H10	2.3°	35.1°
C7	C1	C2	C3	0.4°	0.0°
C1	C7	C5	H3	180.0°	179.9°
C1	C7	C5	C4	3.0°	0.1°
C1	C7	C5	O1	167.4°	180.0°
C7	C1	C2	H1	179.6°	180.0°
C7	C1	N	H10	174.3°	144.6°
C2	C3	CL	C4	177.5°	180.0°
C2	C3	C4	C5	1.8°	0.1°
C2	C3	C4	H2	178.2°	180.0°
C7	C5	C4	C3	3.3°	0.1°
C7	C5	C4	O1	170.2°	180.0°
C7	C5	O1	C6	98.1°	180.0°
C7	C5	C4	H2	176.7°	180.0°
CL	C3	C4	C5	175.7°	180.0°
CL	C3	C2	H1	2.5°	0.1°
CL	C3	C4	H2	4.3°	0.0°
C3	C4	C5	H2	180.0°	179.9°
C3	C4	C5	O1	166.9°	180.0°
C4	C3	C2	H1	180.0°	180.0°
C4	C5	O1	C6	91.4°	0.0°
C4	C5	C7	H3	177.1°	180.0°
C5	O1	C6	F	175.1°	60.0°
C5	O1	C6	F1	54.9°	60.0°
C5	O1	C6	F2	66.3°	180.0°
O1	C5	C4	H2	13.1°	0.0°
O1	C5	C7	H3	12.6°	0.1°
O1	C6	F	F1	123.1°	120.0°
O1	C6	F	F2	121.2°	120.0°
O1	C6	F1	F2	123.4°	120.0°
F	C6	F1	F2	115.4°	120.0°
H4	C9	C10	H5	0.3°	0.0°
H5	C10	C11	H6	1.2°	0.0°
H6	C11	C12	H7	0.8°	0.2°
H8	C14	C15	H12	144.5°	179.9°
H8	C14	C15	H13	24.5°	60.0°
H9	C14	C15	H12	96.5°	60.0°
H9	C14	C15	H13	143.5°	180.0°
H12	C15	O2	H14	60.0°	60.1°
H13	C15	O2	H14	60.0°	60.0°

Release date:	2020-10-14
Definition date:	2020-03-13
Last modified:	2020-10-09
Release status:	REL
Processing site:	PDBE
Derived from:	6YAQ