5ZO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C16	doub	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.36Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.37Å	Aromatic
C14	C13	doub	1.41Å	1.39Å	Aromatic
C17	C18	doub	1.39Å	1.39Å	Aromatic
C13	C18	sing	1.40Å	1.40Å	Aromatic
C13	N1	sing	1.34Å	1.39Å	Aromatic
C18	S1	sing	1.76Å	1.72Å	Aromatic
N1	C12	doub	1.29Å	1.31Å	Aromatic
S1	C12	sing	1.76Å	1.75Å	Aromatic
C12	C9	sing	1.47Å	1.43Å
C9	C10	sing	1.51Å	1.52Å
C9	C8	doub	1.35Å	1.34Å
C10	C11	sing	1.51Å	1.51Å
O2	C11	doub	1.21Å	1.22Å
C11	O3	sing	1.34Å	1.26Å
C8	C7	sing	1.47Å	1.47Å
C7	C6	doub	1.40Å	1.39Å	Aromatic
C7	C4	sing	1.40Å	1.40Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C4	C3	doub	1.38Å	1.38Å	Aromatic
C5	C2	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.40Å	Aromatic
C2	O1	sing	1.36Å	1.38Å
O1	C1	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
O3	H11	sing	0.97Å	0.95Å
C14	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
C17	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C15	C14	121.6°	120.8°
C15	C16	C17	120.7°	120.1°
C16	C15	H13	119.2°	119.6°
C15	C16	H14	119.7°	120.0°
C15	C14	C13	118.7°	120.5°
C15	C14	H12	120.7°	119.8°
C14	C15	H13	119.2°	119.6°
C16	C17	C18	117.8°	120.0°
C17	C16	H14	119.7°	120.0°
C16	C17	H15	121.1°	120.0°
C14	C13	C18	119.0°	118.3°
C14	C13	N1	125.7°	128.7°
C13	C14	H12	120.6°	119.7°
C17	C18	C13	122.3°	120.3°
C17	C18	S1	128.5°	131.3°
C18	C17	H15	121.1°	119.9°
C18	C13	N1	115.3°	113.0°
C13	C18	S1	109.2°	108.4°
C13	N1	C12	110.8°	118.1°
C18	S1	C12	89.8°	90.4°
N1	C12	S1	114.8°	110.2°
N1	C12	C9	125.1°	124.9°
S1	C12	C9	120.0°	124.9°
C12	C9	C10	115.1°	120.0°
C12	C9	C8	126.0°	120.0°
C10	C9	C8	118.9°	120.0°
C9	C10	C11	112.1°	109.4°
C9	C10	H9	108.8°	109.4°
C9	C10	H10	108.8°	109.5°
C9	C8	C7	128.5°	120.0°
C9	C8	H8	115.7°	120.0°
C10	C11	O2	117.4°	120.0°
C10	C11	O3	118.9°	120.0°
C11	C10	H9	108.8°	109.5°
C11	C10	H10	108.8°	109.5°
O2	C11	O3	123.7°	120.0°
C11	O3	H11	109.5°	117.0°
C8	C7	C6	120.1°	120.1°
C8	C7	C4	122.9°	120.1°
C7	C8	H8	115.8°	120.0°
C6	C7	C4	117.1°	119.7°
C7	C6	C5	122.0°	119.9°
C7	C6	H7	119.0°	120.0°
C7	C4	C3	121.8°	119.9°
C7	C4	H5	119.1°	120.0°
C6	C5	C2	119.9°	120.1°
C6	C5	H6	120.1°	120.0°
C5	C6	H7	119.0°	120.1°
C4	C3	C2	119.8°	120.1°
C4	C3	H4	120.1°	120.0°
C3	C4	H5	119.1°	120.1°
C5	C2	C3	119.3°	120.2°
C5	C2	O1	117.8°	119.9°
C2	C5	H6	120.0°	119.9°
C3	C2	O1	122.9°	119.9°
C2	C3	H4	120.1°	120.0°
C2	O1	C1	118.2°	117.0°
O1	C1	H1	109.5°	109.5°
O1	C1	H2	109.4°	109.4°
O1	C1	H3	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H9	C10	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C15	C14	H13	180.0°	179.9°
C15	C16	C17	H14	180.0°	180.0°
C16	C15	C14	C13	0.6°	0.1°
C15	C16	C17	C18	0.4°	0.0°
C16	C15	C14	H12	179.4°	180.0°
C15	C16	C17	H15	179.6°	180.0°
C14	C15	C16	C17	0.1°	0.0°
C15	C14	C13	H12	180.0°	180.0°
C15	C14	C13	C18	1.0°	0.0°
C15	C14	C13	N1	179.2°	179.8°
C14	C15	C16	H14	179.9°	180.0°
C16	C17	C18	H15	180.0°	179.9°
C16	C17	C18	C13	0.0°	0.1°
C16	C17	C18	S1	179.9°	180.0°
C17	C16	C15	H13	179.9°	179.9°
C14	C13	C18	C17	0.7°	0.1°
C14	C13	C18	N1	179.8°	179.8°
C14	C13	C18	S1	179.4°	180.0°
C14	C13	N1	C12	179.0°	179.7°
C13	C14	C15	H13	179.4°	180.0°
C17	C18	C13	S1	179.9°	179.9°
C17	C18	C13	N1	179.4°	179.7°
C17	C18	S1	C12	179.9°	179.6°
C18	C17	C16	H14	179.6°	179.9°
C18	C13	N1	C12	0.8°	0.1°
C13	C18	S1	C12	0.0°	0.3°
C18	C13	C14	H12	179.0°	180.0°
C13	C18	C17	H15	180.0°	180.0°
N1	C13	C18	S1	0.5°	0.2°
C13	N1	C12	S1	0.8°	0.3°
C13	N1	C12	C9	179.0°	180.0°
N1	C13	C14	H12	0.8°	0.3°
C18	S1	C12	N1	0.5°	0.4°
C18	S1	C12	C9	179.4°	180.0°
S1	C18	C17	H15	0.1°	0.1°
N1	C12	S1	C9	179.8°	179.7°
N1	C12	C9	C10	9.1°	179.9°
N1	C12	C9	C8	169.5°	0.1°
S1	C12	C9	C10	170.7°	0.3°
S1	C12	C9	C8	10.7°	179.7°
C12	C9	C10	C8	178.7°	180.0°
C12	C9	C10	C11	82.3°	82.3°
C12	C9	C8	C7	169.2°	178.4°
C12	C9	C8	H8	10.8°	1.5°
C12	C9	C10	H9	157.3°	37.6°
C12	C9	C10	H10	38.1°	157.7°
C9	C10	C11	H9	120.4°	119.9°
C9	C10	C11	H10	120.4°	120.0°
C9	C10	C11	O2	142.0°	0.0°
C9	C10	C11	O3	38.7°	180.0°
C10	C9	C8	C7	12.2°	1.6°
C10	C9	C8	H8	167.8°	178.5°
C9	C10	H9	H10	118.8°	120.0°
C8	C9	C10	C11	96.4°	97.7°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	C6	130.1°	42.2°
C9	C8	C7	C4	50.0°	137.6°
C8	C9	C10	H9	24.0°	142.4°
C8	C9	C10	H10	143.2°	22.3°
C10	C11	O2	O3	179.2°	180.0°
C11	C10	H9	H10	118.8°	120.0°
C10	C11	O3	H11	179.2°	180.0°
O2	C11	C10	H9	97.6°	119.9°
O2	C11	C10	H10	21.6°	120.0°
O2	C11	O3	H11	0.0°	0.0°
O3	C11	C10	H9	81.7°	60.0°
O3	C11	C10	H10	159.1°	60.0°
C8	C7	C6	C4	180.0°	179.8°
C8	C7	C6	C5	179.7°	180.0°
C8	C7	C4	C3	179.0°	180.0°
C8	C7	C4	H5	1.0°	0.0°
C8	C7	C6	H7	0.3°	0.1°
C7	C6	C5	H7	180.0°	180.0°
C6	C7	C4	C3	1.0°	0.2°
C7	C6	C5	C2	0.1°	0.0°
C6	C7	C4	H5	179.0°	179.8°
C7	C6	C5	H6	179.9°	180.0°
C6	C7	C8	H8	50.0°	137.9°
C4	C7	C6	C5	0.3°	0.3°
C7	C4	C3	H5	180.0°	179.9°
C7	C4	C3	C2	1.2°	0.1°
C7	C4	C3	H4	178.8°	180.0°
C4	C7	C6	H7	179.6°	179.7°
C4	C7	C8	H8	130.0°	42.3°
C6	C5	C2	H6	180.0°	179.9°
C6	C5	C2	C3	0.1°	0.3°
C6	C5	C2	O1	179.4°	180.0°
C4	C3	C2	C5	0.8°	0.3°
C4	C3	C2	H4	180.0°	179.9°
C4	C3	C2	O1	178.7°	180.0°
C5	C2	C3	O1	179.5°	179.7°
C5	C2	O1	C1	163.7°	0.3°
C5	C2	C3	H4	179.2°	179.7°
C2	C5	C6	H7	179.9°	180.0°
C3	C2	O1	C1	16.8°	180.0°
C2	C3	C4	H5	178.7°	179.9°
C3	C2	C5	H6	179.8°	179.7°
C2	O1	C1	H1	180.0°	60.0°
C2	O1	C1	H2	60.0°	180.0°
C2	O1	C1	H3	60.0°	60.0°
O1	C2	C3	H4	1.3°	0.1°
O1	C2	C5	H6	0.6°	0.0°
O1	C1	H1	H2	120.0°	120.0°
O1	C1	H1	H3	120.0°	120.1°
O1	C1	H2	H3	120.0°	120.0°
H1	C1	H2	H3	120.0°	120.0°
H4	C3	C4	H5	1.2°	0.0°
H6	C5	C6	H7	0.0°	0.0°
H12	C14	C15	H13	0.6°	0.1°
H13	C15	C16	H14	0.1°	0.1°
H14	C16	C17	H15	0.4°	0.0°

Release date:	2022-04-13
Definition date:	2022-02-07
Last modified:	2022-04-08
Release status:	REL
Processing site:	PDBJ
Derived from:	7WT2