WNL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	doub	1.37Å	1.38Å
C02	C03	sing	1.41Å	1.45Å
C03	N04	sing	1.35Å	1.42Å
N04	C05	sing	1.35Å	1.47Å
C01	N06	sing	1.38Å	1.44Å
C05	N06	sing	1.34Å	1.39Å
C02	C07	sing	1.51Å	1.51Å
C07	C08	sing	1.53Å	1.54Å
C03	O09	doub	1.22Å	1.29Å
C05	S11	doub	1.71Å	1.62Å
C01	C12	sing	1.48Å	1.46Å
C12	C13	doub	1.40Å	1.41Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.41Å	Aromatic
C15	C16	sing	1.39Å	1.40Å	Aromatic
C12	C17	sing	1.40Å	1.38Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C16	O18	sing	1.36Å	1.38Å
O18	C19	sing	1.43Å	1.40Å
C07	H22	sing	1.09Å	1.10Å
C07	H21	sing	1.09Å	1.10Å
C13	H29	sing	1.08Å	1.08Å
C15	H31	sing	1.08Å	1.08Å
C17	H32	sing	1.08Å	1.08Å
C19	H35	sing	1.09Å	1.10Å
C19	H34	sing	1.09Å	1.10Å
C19	H33	sing	1.09Å	1.10Å
C31	H1	sing	1.09Å	1.10Å
C31	H2	sing	1.09Å	1.10Å
C31	H3	sing	1.09Å	1.10Å
N06	H5	sing	0.97Å	1.00Å
C08	H25	sing	1.09Å	1.10Å
C08	H24	sing	1.09Å	1.10Å
C08	H23	sing	1.09Å	1.10Å
C14	H30	sing	1.08Å	1.08Å
N04	C31	sing	1.47Å	1.44Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	120.0°	119.0°
C02	C01	N06	123.3°	119.4°
C01	C02	C07	124.3°	120.5°
C02	C01	C12	123.2°	120.3°
C02	C03	N04	116.0°	119.5°
C03	C02	C07	115.7°	120.5°
C02	C03	O09	126.7°	120.2°
C03	N04	C05	124.4°	120.6°
N04	C03	O09	117.3°	120.3°
C03	N04	C31	118.7°	119.7°
N04	C05	N06	116.6°	121.0°
N04	C05	S11	122.6°	119.5°
C05	N04	C31	116.8°	119.7°
C01	N06	C05	119.5°	120.5°
N06	C01	C12	113.4°	120.3°
C01	N06	H5	120.2°	119.7°
N06	C05	S11	120.7°	119.5°
C05	N06	H5	120.2°	119.8°
C02	C07	C08	113.0°	109.5°
C02	C07	H22	108.6°	109.5°
C02	C07	H21	108.6°	109.5°
C08	C07	H22	108.6°	109.4°
C08	C07	H21	108.6°	109.5°
C07	C08	H25	109.5°	109.4°
C07	C08	H24	109.5°	109.5°
C07	C08	H23	109.5°	109.5°
C01	C12	C13	117.7°	120.1°
C01	C12	C17	121.1°	120.2°
C12	C13	C14	119.9°	120.0°
C13	C12	C17	121.1°	119.7°
C12	C13	H29	120.1°	120.0°
C13	C14	C15	118.5°	120.2°
C14	C13	H29	120.1°	120.0°
C13	C14	H30	120.7°	119.9°
C14	C15	C16	121.3°	120.2°
C14	C15	H31	119.3°	119.9°
C15	C14	H30	120.7°	119.9°
C15	C16	C17	119.5°	120.1°
C15	C16	O18	114.6°	120.0°
C16	C15	H31	119.4°	119.9°
C12	C17	C16	119.7°	119.8°
C12	C17	H32	120.2°	120.1°
C17	C16	O18	126.0°	120.0°
C16	C17	H32	120.2°	120.1°
C16	O18	C19	117.4°	117.0°
O18	C19	H35	109.5°	109.5°
O18	C19	H34	109.5°	109.5°
O18	C19	H33	109.5°	109.4°
H22	C07	H21	109.5°	109.5°
H35	C19	H34	109.5°	109.5°
H35	C19	H33	109.5°	109.5°
H34	C19	H33	109.5°	109.5°
H1	C31	H2	109.5°	109.5°
H1	C31	H3	109.5°	109.5°
H1	C31	N04	109.5°	109.5°
H2	C31	H3	109.5°	109.5°
H2	C31	N04	109.5°	109.4°
H3	C31	N04	109.5°	109.5°
H25	C08	H24	109.5°	109.4°
H25	C08	H23	109.5°	109.5°
H24	C08	H23	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C07	178.9°	180.0°
C01	C02	C03	N04	2.9°	0.1°
C02	C01	N06	C12	176.9°	179.7°
C02	C01	N06	C05	1.3°	0.0°
C01	C02	C07	C08	98.8°	94.3°
C01	C02	C03	O09	179.5°	180.0°
C02	C01	C12	C13	99.4°	56.8°
C02	C01	C12	C17	84.6°	123.3°
C01	C02	C07	H22	140.7°	145.7°
C01	C02	C07	H21	21.8°	25.7°
C02	C01	N06	H5	178.7°	180.0°
C02	C03	N04	O09	176.9°	179.9°
C02	C03	N04	C05	3.9°	0.1°
C03	C02	C01	N06	1.7°	0.0°
C03	C02	C07	C08	80.1°	85.7°
C03	C02	C01	C12	178.4°	179.7°
C03	C02	C07	H22	40.4°	34.3°
C03	C02	C07	H21	159.3°	154.3°
C02	C03	N04	C31	173.2°	180.0°
C03	N04	C05	C31	177.2°	179.9°
C03	N04	C05	N06	3.5°	0.1°
N04	C03	C02	C07	178.2°	179.9°
C03	N04	C05	S11	179.9°	179.9°
C03	N04	C31	H1	180.0°	90.0°
C03	N04	C31	H2	60.0°	150.0°
C03	N04	C31	H3	60.0°	29.9°
N04	C05	N06	C01	2.0°	0.0°
N04	C05	N06	S11	176.5°	180.0°
C05	N04	C03	O09	179.2°	180.0°
C05	N04	C31	H1	2.7°	90.0°
C05	N04	C31	H2	117.3°	30.0°
C05	N04	C31	H3	122.7°	150.0°
N04	C05	N06	H5	178.0°	179.9°
C01	N06	C05	H5	180.0°	179.9°
N06	C01	C02	C07	179.4°	180.0°
C01	N06	C05	S11	178.5°	180.0°
N06	C01	C12	C13	83.7°	123.5°
N06	C01	C12	C17	92.4°	56.4°
C05	N06	C01	C12	178.3°	179.7°
N06	C05	N04	C31	173.6°	180.0°
C02	C07	C08	H22	120.5°	120.0°
C02	C07	C08	H21	120.5°	120.0°
C07	C02	C03	O09	1.6°	0.0°
C07	C02	C01	C12	2.8°	0.3°
C02	C07	H22	H21	118.4°	120.0°
C02	C07	C08	H25	180.0°	60.0°
C02	C07	C08	H24	60.0°	60.0°
C02	C07	C08	H23	60.0°	180.0°
C08	C07	H22	H21	118.4°	120.0°
C07	C08	H25	H24	120.0°	120.0°
C07	C08	H25	H23	120.0°	120.0°
C07	C08	H24	H23	120.0°	120.0°
O09	C03	N04	C31	3.7°	0.0°
S11	C05	N06	H5	1.5°	0.1°
S11	C05	N04	C31	2.8°	0.0°
C01	C12	C13	C17	176.1°	179.9°
C01	C12	C13	C14	178.0°	180.0°
C01	C12	C17	C16	177.4°	179.5°
C01	C12	C13	H29	2.0°	0.4°
C01	C12	C17	H32	2.6°	0.1°
C12	C01	N06	H5	1.8°	0.2°
C12	C13	C14	H29	180.0°	179.7°
C12	C13	C14	C15	1.7°	0.3°
C13	C12	C17	C16	1.5°	0.4°
C13	C12	C17	H32	178.5°	179.8°
C12	C13	C14	H30	178.3°	179.7°
C13	C14	C15	H30	180.0°	180.0°
C13	C14	C15	C16	1.1°	0.0°
C14	C13	C12	C17	1.9°	0.1°
C13	C14	C15	H31	178.9°	179.5°
C14	C15	C16	H31	180.0°	179.5°
C14	C15	C16	C17	0.6°	0.5°
C14	C15	C16	O18	178.8°	179.5°
C15	C14	C13	H29	178.3°	180.0°
C15	C16	C17	C12	0.8°	0.7°
C15	C16	C17	O18	179.4°	180.0°
C15	C16	O18	C19	175.5°	0.0°
C15	C16	C17	H32	179.2°	180.0°
C16	C15	C14	H30	178.9°	180.0°
C12	C17	C16	H32	180.0°	179.3°
C12	C17	C16	O18	178.6°	179.2°
C17	C12	C13	H29	178.0°	179.7°
C17	C16	O18	C19	5.0°	180.0°
C17	C16	C15	H31	179.4°	180.0°
O18	C16	C15	H31	1.1°	0.0°
O18	C16	C17	H32	1.4°	0.1°
C16	O18	C19	H35	180.0°	180.0°
C16	O18	C19	H34	60.0°	60.0°
C16	O18	C19	H33	60.0°	60.0°
O18	C19	H35	H34	120.0°	120.0°
O18	C19	H35	H33	120.0°	120.0°
O18	C19	H34	H33	120.0°	120.0°
H22	C07	C08	H25	59.5°	180.0°
H22	C07	C08	H24	179.5°	60.0°
H22	C07	C08	H23	60.6°	60.0°
H21	C07	C08	H25	59.5°	60.1°
H21	C07	C08	H24	60.5°	180.0°
H21	C07	C08	H23	179.5°	60.0°
H29	C13	C14	H30	1.7°	0.1°
H31	C15	C14	H30	1.1°	0.5°
H35	C19	H34	H33	120.0°	120.0°
H1	C31	H2	H3	120.0°	120.0°
H1	C31	H2	N04	120.0°	120.0°
H1	C31	H3	N04	120.0°	120.0°
H2	C31	H3	N04	120.0°	120.0°
H25	C08	H24	H23	120.0°	120.0°

Release date:	2023-06-14
Definition date:	2023-05-15
Last modified:	2023-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	7G1D