NWY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	sing	1.54Å	1.54Å
C8	C7	sing	1.54Å	1.53Å
C9	C10	sing	1.54Å	1.54Å
C7	C10	sing	1.54Å	1.56Å
C7	C6	sing	1.51Å	1.53Å
C	C1	sing	1.51Å	1.48Å
C6	O	doub	1.21Å	1.25Å
C6	N	sing	1.35Å	1.41Å
N1	C1	doub	1.32Å	1.38Å	Aromatic
N1	C11	sing	1.32Å	1.35Å	Aromatic
C1	C2	sing	1.38Å	1.41Å	Aromatic
C11	C4	doub	1.38Å	1.41Å	Aromatic
N	C5	sing	1.46Å	1.50Å
C2	C3	doub	1.39Å	1.41Å	Aromatic
C4	C3	sing	1.39Å	1.41Å	Aromatic
C4	C5	sing	1.51Å	1.50Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
N	H8	sing	0.97Å	1.00Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å
C3	H14	sing	1.08Å	1.08Å
C9	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	90.8°	87.1°
C8	C9	C10	89.6°	87.1°
C9	C8	H4	113.9°	113.6°
C9	C8	H5	113.9°	113.6°
C8	C9	H15	114.2°	113.6°
C8	C9	H16	114.2°	113.6°
C8	C7	C10	89.1°	87.1°
C8	C7	C6	112.6°	113.6°
C8	C7	H3	113.4°	113.7°
C7	C8	H4	113.9°	113.6°
C7	C8	H5	113.9°	113.6°
C9	C10	C7	89.7°	87.1°
C9	C10	H6	114.2°	113.6°
C9	C10	H7	114.1°	113.7°
C10	C9	H15	114.2°	113.6°
C10	C9	H16	114.2°	113.6°
C10	C7	C6	113.0°	113.6°
C10	C7	H3	113.0°	113.7°
C7	C10	H6	114.1°	113.6°
C7	C10	H7	114.2°	113.6°
C7	C6	O	120.9°	120.0°
C7	C6	N	116.0°	120.0°
C6	C7	H3	113.5°	112.9°
C	C1	N1	116.8°	119.6°
C	C1	C2	120.1°	119.7°
C1	C	H9	109.5°	109.5°
C1	C	H10	109.5°	109.4°
C1	C	H11	109.5°	109.5°
O	C6	N	123.1°	120.0°
C6	N	C5	124.2°	120.0°
C6	N	H8	117.9°	120.0°
C1	N1	C11	117.5°	121.7°
N1	C1	C2	123.1°	120.8°
N1	C11	C4	123.3°	120.7°
N1	C11	H12	118.4°	119.7°
C1	C2	C3	117.6°	119.2°
C1	C2	H13	121.2°	120.4°
C11	C4	C3	118.5°	119.2°
C11	C4	C5	121.0°	120.4°
C4	C11	H12	118.3°	119.6°
N	C5	C4	116.3°	109.5°
N	C5	H1	107.7°	109.5°
N	C5	H2	107.7°	109.4°
C5	N	H8	117.9°	120.0°
C2	C3	C4	119.9°	118.4°
C3	C2	H13	121.2°	120.4°
C2	C3	H14	120.1°	120.8°
C3	C4	C5	120.5°	120.4°
C4	C3	H14	120.0°	120.8°
C4	C5	H1	107.7°	109.5°
C4	C5	H2	107.7°	109.5°
H1	C5	H2	109.5°	109.4°
H4	C8	H5	109.5°	112.9°
H6	C10	H7	109.5°	112.9°
H9	C	H10	109.5°	109.5°
H9	C	H11	109.4°	109.5°
H10	C	H11	109.4°	109.5°
H15	C9	H16	109.4°	112.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H4	116.7°	114.6°
C9	C8	C7	H5	116.7°	114.5°
C8	C9	C10	H15	116.5°	114.5°
C8	C9	C10	H16	116.5°	114.6°
C9	C8	C7	C10	6.8°	25.5°
C9	C8	C7	C6	121.4°	140.0°
C9	C8	C7	H3	108.0°	89.1°
C9	C8	H4	H5	128.8°	131.2°
C8	C9	C10	H6	109.7°	140.0°
C8	C9	C10	H7	123.3°	89.1°
C8	C9	H15	H16	129.4°	131.3°
C8	C7	C10	C6	114.2°	114.5°
C8	C7	C10	H3	115.2°	114.6°
C8	C7	C6	H3	130.6°	131.2°
C8	C7	C6	O	52.5°	97.5°
C8	C7	C6	N	127.1°	82.5°
C7	C8	H4	H5	128.9°	131.3°
C8	C7	C10	H6	109.7°	139.9°
C8	C7	C10	H7	123.3°	89.1°
C7	C8	C9	H15	123.4°	140.0°
C7	C8	C9	H16	109.6°	89.1°
C9	C10	C7	H6	116.5°	114.5°
C9	C10	C7	H7	116.5°	114.6°
C9	C10	C7	C6	121.0°	140.0°
C9	C10	C7	H3	108.4°	89.1°
C10	C9	C8	H4	123.6°	89.1°
C10	C9	C8	H5	109.8°	140.0°
C9	C10	H6	H7	129.3°	131.3°
C10	C9	H15	H16	129.5°	131.3°
C10	C7	C6	H3	130.4°	131.3°
C10	C7	C6	O	46.6°	0.0°
C10	C7	C6	N	133.8°	180.0°
C10	C7	C8	H4	123.5°	89.1°
C10	C7	C8	H5	109.9°	140.0°
C7	C10	H6	H7	129.4°	131.3°
C7	C10	C9	H15	123.2°	140.0°
C7	C10	C9	H16	109.7°	89.1°
C7	C6	O	N	179.5°	179.9°
C7	C6	N	C5	178.4°	180.0°
C6	C7	C8	H4	121.9°	25.5°
C6	C7	C8	H5	4.7°	105.5°
C6	C7	C10	H6	4.5°	105.5°
C6	C7	C10	H7	122.5°	25.4°
C7	C6	N	H8	1.6°	0.1°
C	C1	N1	C2	178.2°	180.0°
C	C1	N1	C11	177.3°	180.0°
C	C1	C2	C3	177.4°	180.0°
C1	C	H9	H10	120.0°	119.9°
C1	C	H9	H11	120.0°	120.0°
C1	C	H10	H11	120.0°	120.0°
C	C1	C2	H13	2.6°	0.0°
O	C6	N	C5	2.1°	0.1°
O	C6	C7	H3	177.0°	131.2°
O	C6	N	H8	177.9°	180.0°
C6	N	C5	H8	180.0°	179.9°
C6	N	C5	C4	86.2°	180.0°
C6	N	C5	H1	34.8°	60.0°
C6	N	C5	H2	152.8°	59.9°
N	C6	C7	H3	3.5°	48.7°
C1	N1	C11	C4	0.1°	0.0°
N1	C1	C2	C3	0.8°	0.0°
N1	C1	C	H9	0.0°	90.0°
N1	C1	C	H10	120.0°	150.0°
N1	C1	C	H11	120.0°	30.0°
C1	N1	C11	H12	179.9°	180.0°
N1	C1	C2	H13	179.3°	180.0°
C11	N1	C1	C2	0.9°	0.1°
N1	C11	C4	H12	180.0°	179.9°
N1	C11	C4	C3	0.9°	0.0°
N1	C11	C4	C5	179.5°	179.9°
C1	C2	C3	H13	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C2	C1	C	H9	178.3°	89.9°
C2	C1	C	H10	58.3°	30.0°
C2	C1	C	H11	61.7°	150.0°
C1	C2	C3	H14	179.8°	179.9°
C11	C4	C5	N	62.2°	89.9°
C11	C4	C3	C2	1.0°	0.1°
C11	C4	C3	C5	179.6°	179.9°
C11	C4	C5	H1	176.7°	30.1°
C11	C4	C5	H2	58.7°	150.1°
C11	C4	C3	H14	179.0°	179.9°
N	C5	C4	C3	118.2°	90.0°
N	C5	C4	H1	121.0°	120.0°
N	C5	C4	H2	121.0°	120.0°
N	C5	H1	H2	116.9°	119.9°
C2	C3	C4	H14	180.0°	179.9°
C2	C3	C4	C5	179.4°	180.0°
C3	C4	C5	H1	2.8°	150.0°
C3	C4	C5	H2	120.8°	30.0°
C3	C4	C11	H12	179.1°	179.9°
C4	C3	C2	H13	179.7°	180.0°
C4	C5	H1	H2	116.9°	120.0°
C4	C5	N	H8	93.8°	0.1°
C5	C4	C11	H12	0.5°	0.0°
C5	C4	C3	H14	0.6°	0.2°
H1	C5	N	H8	145.2°	120.1°
H2	C5	N	H8	27.2°	120.0°
H3	C7	C8	H4	8.7°	156.3°
H3	C7	C8	H5	135.3°	25.4°
H3	C7	C10	H6	135.1°	25.3°
H3	C7	C10	H7	8.1°	156.3°
H4	C8	C9	H15	119.9°	25.4°
H4	C8	C9	H16	7.1°	156.3°
H5	C8	C9	H15	6.7°	105.5°
H5	C8	C9	H16	133.7°	25.5°
H6	C10	C9	H15	6.7°	105.5°
H6	C10	C9	H16	133.8°	25.4°
H7	C10	C9	H15	120.2°	25.4°
H7	C10	C9	H16	6.8°	156.3°
H9	C	H10	H11	120.0°	120.0°
H13	C2	C3	H14	0.3°	0.1°

Release date:	2019-07-10
Definition date:	2019-05-29
Last modified:	2019-07-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QRL