QZX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.34Å	1.20Å
C1	C2	sing	1.51Å	1.49Å
C2	C3	sing	1.54Å	1.52Å
C3	C4	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.49Å
C5	N1	sing	1.47Å	1.47Å
N1	C6	sing	1.38Å	1.37Å
C6	C7	doub	1.40Å	1.42Å	Aromatic
C7	C8	sing	1.47Å	1.45Å	Aromatic
C8	C9	sing	1.40Å	1.41Å	Aromatic
C9	C10	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.37Å	Aromatic
C11	C12	doub	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C11	F1	sing	1.35Å	1.36Å
C9	N2	sing	1.39Å	1.39Å	Aromatic
N2	C14	sing	1.37Å	1.36Å	Aromatic
C14	N3	doub	1.33Å	1.34Å	Aromatic
N3	C15	sing	1.32Å	1.33Å	Aromatic
C15	N4	doub	1.32Å	1.34Å	Aromatic
N1	C16	sing	1.47Å	1.47Å
C16	C17	sing	1.52Å	1.51Å
C1	O2	doub	1.21Å	1.20Å
C2	C17	sing	1.52Å	1.51Å
C3	C17	sing	1.52Å	1.51Å
C6	N4	sing	1.33Å	1.34Å	Aromatic
C7	C14	sing	1.40Å	1.42Å	Aromatic
C8	C13	doub	1.39Å	1.40Å	Aromatic
C2	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
O1	H15	sing	0.97Å	0.95Å
C10	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C17	H14	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
N2	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	118.6°	120.0°
O1	C1	O2	123.0°	120.0°
C1	O1	H15	109.5°	117.0°
C1	C2	C3	115.1°	117.5°
C2	C1	O2	118.4°	120.0°
C1	C2	C17	123.1°	117.6°
C1	C2	H1	115.9°	115.6°
C2	C3	C4	122.1°	116.0°
C3	C2	C17	59.6°	59.7°
C2	C3	C17	60.1°	59.7°
C3	C2	H1	115.4°	117.5°
C2	C3	H2	116.3°	117.4°
C3	C4	C5	108.2°	109.6°
C4	C3	C17	112.7°	119.4°
C4	C3	H2	116.4°	115.5°
C3	C4	H3	109.8°	109.4°
C3	C4	H4	109.8°	109.4°
C4	C5	N1	112.0°	108.6°
C5	C4	H3	109.8°	109.5°
C5	C4	H4	109.8°	109.5°
C4	C5	H5	108.8°	109.6°
C4	C5	H6	108.8°	109.6°
C5	N1	C6	115.0°	111.0°
C5	N1	C16	115.9°	110.3°
N1	C5	H5	108.8°	109.6°
N1	C5	H6	108.8°	109.6°
N1	C6	C7	126.4°	120.7°
C6	N1	C16	124.5°	111.0°
N1	C6	N4	115.5°	120.8°
C6	C7	C8	137.2°	134.6°
C7	C6	N4	118.1°	118.5°
C6	C7	C14	116.2°	118.8°
C7	C8	C9	106.0°	106.2°
C8	C7	C14	106.6°	106.7°
C7	C8	C13	135.1°	133.7°
C8	C9	C10	121.2°	119.3°
C8	C9	N2	109.1°	108.3°
C9	C8	C13	119.0°	120.0°
C9	C10	C11	118.0°	120.0°
C10	C9	N2	129.7°	132.4°
C9	C10	H7	121.0°	120.0°
C10	C11	C12	122.5°	120.5°
C10	C11	F1	119.0°	119.7°
C11	C10	H7	121.0°	120.0°
C11	C12	C13	119.7°	120.2°
C12	C11	F1	118.4°	119.8°
C11	C12	H8	120.2°	119.9°
C12	C13	C8	119.7°	119.9°
C13	C12	H8	120.1°	119.9°
C12	C13	H9	120.1°	120.1°
C9	N2	C14	109.3°	110.4°
C9	N2	H10	125.3°	124.7°
N2	C14	N3	126.0°	133.2°
N2	C14	C7	109.1°	108.4°
C14	N2	H10	125.4°	124.8°
C14	N3	C15	113.4°	120.9°
N3	C14	C7	124.9°	118.4°
N3	C15	N4	127.2°	122.6°
N3	C15	H11	116.4°	118.7°
C15	N4	C6	120.3°	120.9°
N4	C15	H11	116.4°	118.7°
N1	C16	C17	109.7°	110.5°
N1	C16	H12	109.4°	109.3°
N1	C16	H13	109.4°	109.2°
C16	C17	C2	119.4°	119.6°
C16	C17	C3	112.7°	119.2°
C17	C16	H12	109.4°	109.3°
C17	C16	H13	109.4°	109.3°
C16	C17	H14	117.2°	114.6°
C2	C17	C3	60.3°	60.5°
C17	C2	H1	115.4°	117.5°
C2	C17	H14	117.1°	116.2°
C17	C3	H2	116.5°	117.2°
C3	C17	H14	117.3°	116.2°
C8	C13	H9	120.2°	120.1°
H12	C16	H13	109.5°	109.3°
H3	C4	H4	109.5°	109.4°
H5	C5	H6	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O2	178.4°	179.8°
O1	C1	C2	C3	175.0°	179.7°
O1	C1	C2	C17	106.3°	111.9°
O1	C1	C2	H1	46.1°	34.0°
C1	C2	C3	C17	115.1°	107.5°
C1	C2	C3	H1	139.1°	145.1°
C1	C2	C3	C4	145.5°	142.1°
C1	C2	C17	C16	157.4°	143.7°
C1	C2	C17	H1	152.5°	145.2°
C1	C2	C3	H2	8.2°	0.3°
C2	C1	O1	H15	178.3°	180.0°
C1	C2	C17	H14	5.7°	0.7°
C2	C3	C4	C17	68.0°	68.4°
C2	C3	C4	H2	153.7°	143.2°
C2	C3	C4	C5	12.2°	89.1°
C2	C3	C17	C16	112.0°	109.5°
C3	C2	C1	O2	6.6°	0.1°
C3	C2	C17	H1	105.7°	107.3°
C2	C3	C17	H2	106.5°	107.4°
C3	C2	C17	H14	107.5°	106.7°
C2	C3	C4	H3	132.0°	150.8°
C2	C3	C4	H4	107.6°	31.0°
C3	C4	C5	H3	119.8°	120.1°
C3	C4	C5	H4	119.8°	120.0°
C3	C4	C5	N1	55.8°	54.1°
C4	C3	C17	C16	3.1°	4.8°
C4	C3	C17	H2	138.4°	147.9°
C4	C3	C2	H1	6.3°	2.9°
C4	C3	C17	H14	137.6°	148.6°
C3	C4	H3	H4	120.6°	119.9°
C3	C4	C5	H5	176.1°	65.6°
C3	C4	C5	H6	64.6°	173.8°
C4	C5	N1	H5	120.4°	119.7°
C4	C5	N1	H6	120.4°	119.7°
C4	C5	N1	C6	154.2°	160.4°
C4	C5	N1	C16	2.7°	76.1°
C5	C4	C3	C17	55.8°	20.7°
C5	C4	C3	H2	165.9°	127.7°
C5	C4	H3	H4	120.6°	119.9°
C4	C5	H5	H6	118.9°	120.4°
C5	N1	C6	C16	154.7°	123.1°
C5	N1	C6	C7	154.0°	56.0°
C5	N1	C16	C17	50.4°	56.4°
C5	N1	C6	N4	25.0°	124.0°
C5	N1	C16	H12	69.7°	176.6°
C5	N1	C16	H13	170.4°	63.9°
N1	C5	C4	H3	64.0°	174.2°
N1	C5	C4	H4	175.6°	65.9°
N1	C5	H5	H6	118.8°	120.4°
N1	C6	C7	N4	179.0°	180.0°
N1	C6	C7	C8	0.3°	0.0°
N1	C6	N4	C15	179.4°	180.0°
C6	N1	C16	C17	155.1°	179.9°
N1	C6	C7	C14	179.0°	180.0°
C6	N1	C16	H12	84.8°	59.9°
C6	N1	C16	H13	35.1°	59.7°
C6	N1	C5	H5	33.8°	79.9°
C6	N1	C5	H6	85.4°	40.7°
C6	C7	C8	C14	179.3°	180.0°
C6	C7	C8	C9	179.8°	180.0°
C6	C7	C14	N2	180.0°	180.0°
C6	C7	C14	N3	0.3°	0.0°
C7	C6	N4	C15	0.3°	0.0°
C7	C6	N1	C16	51.3°	179.1°
C6	C7	C8	C13	0.3°	0.6°
C7	C8	C9	C13	180.0°	179.5°
C7	C8	C9	C10	179.7°	180.0°
C7	C8	C13	C12	179.7°	179.7°
C7	C8	C9	N2	0.2°	0.0°
C8	C7	C14	N2	0.5°	0.0°
C8	C7	C14	N3	179.8°	180.0°
C8	C7	C6	N4	179.3°	180.0°
C7	C8	C13	H9	0.3°	0.4°
C8	C9	C10	N2	179.8°	180.0°
C8	C9	C10	C11	0.1°	0.5°
C9	C8	C13	C12	0.3°	0.3°
C8	C9	N2	C14	0.1°	0.0°
C9	C8	C7	C14	0.4°	0.0°
C8	C9	C10	H7	179.9°	179.8°
C9	C8	C13	H9	179.7°	179.7°
C8	C9	N2	H10	179.9°	180.0°
C9	C10	C11	H7	180.0°	179.8°
C9	C10	C11	C12	0.1°	0.2°
C9	C10	C11	F1	179.9°	179.8°
C10	C9	N2	C14	179.9°	180.0°
C10	C9	C8	C13	0.3°	0.5°
C10	C9	N2	H10	0.1°	0.0°
C10	C11	C12	F1	179.8°	180.0°
C10	C11	C12	C13	0.2°	0.0°
C11	C10	C9	N2	179.9°	179.6°
C10	C11	C12	H8	179.8°	180.0°
C11	C12	C13	H8	180.0°	180.0°
C11	C12	C13	C8	0.0°	0.1°
C12	C11	C10	H7	179.9°	180.0°
C11	C12	C13	H9	180.0°	180.0°
C13	C12	C11	F1	179.9°	180.0°
C12	C13	C8	H9	180.0°	179.9°
F1	C11	C10	H7	0.1°	0.0°
F1	C11	C12	H8	0.1°	0.0°
C9	N2	C14	H10	180.0°	180.0°
C9	N2	C14	N3	179.9°	179.9°
C9	N2	C14	C7	0.3°	0.0°
N2	C9	C8	C13	179.8°	179.5°
N2	C9	C10	H7	0.0°	0.2°
N2	C14	N3	C7	179.7°	179.9°
N2	C14	N3	C15	180.0°	180.0°
C14	N3	C15	N4	0.1°	0.0°
C14	N3	C15	H11	179.9°	180.0°
N3	C14	N2	H10	0.1°	0.1°
N3	C15	N4	H11	180.0°	180.0°
N3	C15	N4	C6	0.2°	0.0°
C15	N3	C14	C7	0.3°	0.0°
N1	C16	C17	H12	120.0°	120.3°
N1	C16	C17	H13	120.0°	120.1°
N1	C16	C17	C2	18.5°	49.4°
N1	C16	C17	C3	49.1°	21.3°
C16	N1	C6	N4	129.6°	0.9°
N1	C16	H12	H13	119.9°	119.4°
N1	C16	C17	H14	170.2°	165.6°
C16	N1	C5	H5	123.1°	43.6°
C16	N1	C5	H6	117.6°	164.1°
C16	C17	C2	H14	151.7°	144.4°
C16	C17	C3	H14	140.7°	143.8°
C16	C17	C2	H1	4.9°	1.6°
C16	C17	C3	H2	141.5°	143.1°
C17	C16	H12	H13	119.9°	119.6°
O2	C1	C2	C17	75.3°	68.3°
O2	C1	C2	H1	132.3°	145.8°
O2	C1	O1	H15	0.0°	0.2°
C2	C17	C16	H12	138.6°	70.8°
C2	C17	C16	H13	101.5°	169.6°
C3	C17	C16	H12	70.9°	141.5°
C3	C17	C16	H13	169.1°	98.9°
C17	C3	C4	H3	64.0°	140.8°
C17	C3	C4	H4	175.5°	99.4°
N4	C6	C7	C14	0.0°	0.0°
C6	N4	C15	H11	179.8°	180.0°
C14	C7	C8	C13	179.6°	179.4°
C7	C14	N2	H10	179.7°	180.0°
C8	C13	C12	H8	180.0°	179.9°
H1	C2	C3	H2	147.3°	145.4°
H1	C2	C17	H14	146.8°	145.9°
H2	C3	C17	H14	0.7°	0.7°
H2	C3	C4	H3	74.3°	7.6°
H2	C3	C4	H4	46.1°	112.2°
H8	C12	C13	H9	0.0°	0.0°
H12	C16	C17	H14	69.8°	74.1°
H13	C16	C17	H14	50.1°	45.5°
H3	C4	C5	H5	56.3°	54.4°
H3	C4	C5	H6	175.6°	66.1°
H4	C4	C5	H5	64.1°	174.3°
H4	C4	C5	H6	55.2°	53.8°

Release date:	2022-07-06
Definition date:	2022-06-14
Last modified:	2022-07-01
Release status:	REL
Processing site:	RCSB
Derived from:	5SR7