GZE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
O15	C14	doub	1.22Å	1.23Å
N13	C4	sing	1.40Å	1.41Å
N13	C14	sing	1.35Å	1.37Å
C4	C3	doub	1.39Å	1.40Å	Aromatic
C14	N16	sing	1.35Å	1.39Å
C7	CL8	sing	1.74Å	1.73Å
C7	C2	doub	1.38Å	1.40Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C2	C9	sing	1.51Å	1.50Å
N16	C17	sing	1.40Å	1.43Å
F11	C9	sing	1.40Å	1.34Å
C9	F10	sing	1.40Å	1.34Å
C9	F12	sing	1.40Å	1.34Å
C18	C17	doub	1.39Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C17	C22	sing	1.39Å	1.40Å	Aromatic
C19	C20	doub	1.39Å	1.39Å	Aromatic
C22	C21	doub	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.39Å	1.39Å	Aromatic
C20	O1	sing	1.36Å	1.42Å
O1	S2	sing	1.52Å	1.61Å
N6	S2	sing	1.66Å	1.58Å
S2	O3	doub	1.42Å	1.42Å
S2	O5	doub	1.42Å	1.42Å
C3	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
N13	H4	sing	0.97Å	1.00Å
N16	H5	sing	0.97Å	1.00Å
C18	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
N6	H10	sing	0.97Å	1.00Å
N6	H11	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C5	C4	120.0°	119.9°
C5	C6	C7	119.8°	120.0°
C6	C5	H2	120.0°	120.0°
C5	C6	H3	120.1°	120.0°
C5	C4	N13	115.9°	120.0°
C5	C4	C3	120.0°	119.9°
C4	C5	H2	120.0°	120.1°
C6	C7	CL8	117.0°	119.9°
C6	C7	C2	121.3°	120.1°
C7	C6	H3	120.1°	120.0°
O15	C14	N13	121.0°	119.9°
O15	C14	N16	123.2°	120.0°
C4	N13	C14	129.1°	120.1°
N13	C4	C3	124.1°	120.1°
C4	N13	H4	115.5°	120.0°
N13	C14	N16	115.8°	120.1°
C14	N13	H4	115.5°	119.9°
C4	C3	C2	120.4°	120.0°
C4	C3	H1	119.8°	120.0°
C14	N16	C17	132.0°	120.0°
C14	N16	H5	114.0°	119.9°
CL8	C7	C2	121.6°	119.9°
C7	C2	C3	118.4°	120.0°
C7	C2	C9	122.0°	120.0°
C3	C2	C9	119.5°	119.9°
C2	C3	H1	119.8°	120.0°
C2	C9	F11	112.6°	109.4°
C2	C9	F10	112.9°	109.5°
C2	C9	F12	112.6°	109.5°
N16	C17	C18	123.4°	120.0°
N16	C17	C22	117.2°	120.0°
C17	N16	H5	114.0°	120.0°
F11	C9	F10	105.3°	109.5°
F11	C9	F12	107.0°	109.4°
F10	C9	F12	105.8°	109.5°
C17	C18	C19	120.2°	120.0°
C18	C17	C22	119.4°	120.0°
C17	C18	H6	119.9°	120.0°
C18	C19	C20	119.8°	120.0°
C19	C18	H6	119.9°	120.0°
C18	C19	H7	120.1°	120.0°
C17	C22	C21	120.5°	120.0°
C17	C22	H9	119.8°	120.0°
C19	C20	C21	120.7°	120.0°
C19	C20	O1	119.1°	120.0°
C20	C19	H7	120.1°	120.0°
C22	C21	C20	119.4°	120.0°
C22	C21	H8	120.3°	120.0°
C21	C22	H9	119.8°	120.0°
C21	C20	O1	120.1°	120.0°
C20	C21	H8	120.3°	120.0°
C20	O1	S2	118.1°	114.1°
O1	S2	N6	106.4°	107.2°
O1	S2	O3	107.4°	106.4°
O1	S2	O5	100.0°	106.4°
N6	S2	O3	110.8°	106.4°
N6	S2	O5	110.5°	106.4°
S2	N6	H10	109.5°	120.0°
S2	N6	H11	109.5°	120.0°
O3	S2	O5	120.3°	123.2°
H10	N6	H11	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	C4	H2	180.0°	179.8°
C5	C6	C7	H3	180.0°	179.7°
C6	C5	C4	N13	176.2°	180.0°
C6	C5	C4	C3	2.0°	0.0°
C5	C6	C7	CL8	175.8°	179.9°
C5	C6	C7	C2	1.2°	0.5°
C4	C5	C6	C7	1.0°	0.3°
C5	C4	N13	C3	178.2°	180.0°
C5	C4	N13	C14	173.6°	35.6°
C5	C4	C3	C2	0.9°	0.0°
C5	C4	C3	H1	179.1°	180.0°
C4	C5	C6	H3	179.0°	180.0°
C5	C4	N13	H4	6.4°	144.5°
C6	C7	CL8	C2	177.0°	179.5°
C6	C7	C2	C3	2.3°	0.5°
C6	C7	C2	C9	176.3°	179.8°
C7	C6	C5	H2	179.0°	180.0°
O15	C14	N13	C4	128.5°	4.6°
O15	C14	N13	N16	177.8°	180.0°
O15	C14	N16	C17	153.1°	5.2°
O15	C14	N13	H4	51.5°	175.4°
O15	C14	N16	H5	26.9°	174.9°
C4	N13	C14	H4	180.0°	180.0°
C4	N13	C14	N16	53.7°	175.3°
N13	C4	C3	C2	177.2°	180.0°
N13	C4	C3	H1	2.8°	0.0°
N13	C4	C5	H2	3.8°	0.2°
C14	N13	C4	C3	4.6°	144.5°
N13	C14	N16	C17	24.7°	174.9°
N13	C14	N16	H5	155.3°	5.1°
C4	C3	C2	C7	1.2°	0.2°
C4	C3	C2	H1	180.0°	180.0°
C4	C3	C2	C9	177.4°	179.9°
C3	C4	C5	H2	177.9°	179.7°
C3	C4	N13	H4	175.4°	35.5°
C14	N16	C17	H5	180.0°	179.9°
C14	N16	C17	C18	27.3°	146.4°
C14	N16	C17	C22	152.1°	33.3°
N16	C14	N13	H4	126.3°	4.7°
CL8	C7	C2	C3	174.6°	180.0°
CL8	C7	C2	C9	6.8°	0.3°
CL8	C7	C6	H3	4.2°	0.3°
C7	C2	C3	C9	178.6°	179.7°
C7	C2	C9	F11	79.1°	60.3°
C7	C2	C9	F10	40.1°	179.7°
C7	C2	C9	F12	159.8°	59.7°
C7	C2	C3	H1	178.8°	179.7°
C2	C7	C6	H3	178.8°	179.8°
C3	C2	C9	F11	102.4°	120.0°
C3	C2	C9	F10	138.5°	0.0°
C3	C2	C9	F12	18.8°	120.0°
C2	C9	F11	F10	123.5°	120.0°
C2	C9	F11	F12	124.3°	120.0°
C2	C9	F10	F12	123.6°	120.1°
C9	C2	C3	H1	2.6°	0.0°
N16	C17	C18	C22	179.3°	179.7°
N16	C17	C18	C19	179.2°	180.0°
N16	C17	C22	C21	179.8°	179.8°
N16	C17	C18	H6	0.8°	0.0°
N16	C17	C22	H9	0.2°	0.0°
F11	C9	F10	F12	113.1°	120.0°
C17	C18	C19	H6	180.0°	179.9°
C17	C18	C19	C20	0.8°	0.0°
C18	C17	C22	C21	0.5°	0.5°
C18	C17	N16	H5	152.7°	33.7°
C17	C18	C19	H7	179.2°	180.0°
C18	C17	C22	H9	179.5°	179.7°
C19	C18	C17	C22	0.1°	0.2°
C18	C19	C20	H7	180.0°	180.0°
C18	C19	C20	C21	0.9°	0.0°
C18	C19	C20	O1	177.8°	180.0°
C17	C22	C21	H9	180.0°	179.8°
C17	C22	C21	C20	0.4°	0.5°
C22	C17	N16	H5	27.9°	146.6°
C22	C17	C18	H6	179.9°	179.7°
C17	C22	C21	H8	179.7°	179.7°
C19	C20	C21	C22	0.3°	0.2°
C19	C20	C21	O1	176.9°	180.0°
C19	C20	O1	S2	100.4°	90.0°
C20	C19	C18	H6	179.2°	180.0°
C19	C20	C21	H8	179.7°	180.0°
C22	C21	C20	H8	180.0°	179.8°
C22	C21	C20	O1	177.2°	179.7°
C21	C20	O1	S2	82.7°	90.0°
C21	C20	C19	H7	179.1°	180.0°
C20	C21	C22	H9	179.6°	179.7°
C20	O1	S2	N6	69.3°	75.0°
C20	O1	S2	O3	49.4°	171.4°
C20	O1	S2	O5	175.7°	38.5°
O1	C20	C19	H7	2.2°	0.0°
O1	C20	C21	H8	2.8°	0.1°
O1	S2	N6	O3	116.4°	113.6°
O1	S2	N6	O5	107.6°	113.5°
O1	S2	O3	O5	113.2°	122.9°
O1	S2	N6	H10	180.0°	0.0°
O1	S2	N6	H11	60.0°	179.9°
N6	S2	O3	O5	131.0°	123.0°
S2	N6	H10	H11	120.0°	179.9°
O3	S2	N6	H10	63.6°	113.6°
O3	S2	N6	H11	56.4°	66.5°
O5	S2	N6	H10	72.3°	113.5°
O5	S2	N6	H11	167.6°	66.4°
H2	C5	C6	H3	1.0°	0.3°
H6	C18	C19	H7	0.8°	0.0°
H8	C21	C22	H9	0.4°	0.1°

Release date:	2019-11-20
Definition date:	2018-10-26
Last modified:	2019-11-15
Release status:	REL
Processing site:	RCSB
Derived from:	6I0J