WA6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O03	C13	doub	1.21Å	1.26Å
C13	O02	sing	1.34Å	1.26Å
C13	C11	sing	1.51Å	1.51Å
C09	C08	sing	1.53Å	1.53Å
C09	C10	sing	1.53Å	1.53Å
C08	C11	sing	1.53Å	1.53Å
C08	C10	sing	1.53Å	1.53Å
C11	N07	sing	1.47Å	1.46Å
C11	C12	sing	1.51Å	1.53Å
C12	C15	doub	1.38Å	1.53Å	Aromatic
C12	C14	sing	1.38Å	1.53Å	Aromatic
C15	C17	sing	1.38Å	1.53Å	Aromatic
C14	C16	doub	1.38Å	1.53Å	Aromatic
C17	C18	doub	1.38Å	1.53Å	Aromatic
C16	C18	sing	1.38Å	1.53Å	Aromatic
C18	P01	sing	1.81Å	1.87Å
O05	P01	doub	1.48Å	1.51Å
P01	O04	sing	1.61Å	1.51Å
P01	O06	sing	1.61Å	1.51Å
O02	H1	sing	0.97Å	0.95Å
O04	H2	sing	0.97Å	0.95Å
O06	H3	sing	0.97Å	0.95Å
N07	H4	sing	1.01Å	1.00Å
N07	H5	sing	1.01Å	1.00Å
C08	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
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)
O03	C13	O02	120.8°	120.0°
O03	C13	C11	119.7°	120.0°
O02	C13	C11	119.6°	120.0°
C13	O02	H1	109.5°	117.1°
C13	C11	C08	109.1°	109.5°
C13	C11	N07	108.1°	109.5°
C13	C11	C12	108.8°	109.5°
C08	C09	C10	59.8°	60.0°
C09	C08	C11	118.6°	117.5°
C09	C08	C10	60.2°	60.0°
C09	C08	H7	117.2°	117.5°
C08	C09	H8	120.0°	117.5°
C08	C09	H9	120.0°	117.5°
C09	C10	C08	60.1°	60.0°
C10	C09	H8	120.0°	117.5°
C10	C09	H9	120.1°	117.5°
C09	C10	H10	120.0°	117.5°
C09	C10	H11	120.0°	117.5°
C11	C08	C10	113.7°	117.5°
C08	C11	N07	111.5°	109.5°
C08	C11	C12	109.5°	109.5°
C11	C08	H7	117.3°	115.5°
C10	C08	H7	117.3°	117.5°
C08	C10	H10	120.0°	117.5°
C08	C10	H11	120.0°	117.5°
N07	C11	C12	109.8°	109.4°
C11	N07	H4	109.5°	111.0°
C11	N07	H5	109.5°	111.0°
C11	C12	C15	120.5°	120.0°
C11	C12	C14	119.5°	120.0°
C15	C12	C14	120.1°	120.0°
C12	C15	C17	119.9°	120.0°
C12	C15	H13	120.0°	120.0°
C12	C14	C16	120.0°	120.0°
C12	C14	H12	120.0°	120.0°
C15	C17	C18	119.9°	120.0°
C17	C15	H13	120.0°	120.0°
C15	C17	H15	120.1°	120.0°
C14	C16	C18	120.0°	120.0°
C16	C14	H12	120.0°	119.9°
C14	C16	H14	120.0°	120.0°
C17	C18	C16	120.1°	120.0°
C17	C18	P01	120.7°	120.0°
C18	C17	H15	120.0°	120.0°
C16	C18	P01	119.2°	120.0°
C18	C16	H14	120.0°	120.0°
C18	P01	O05	109.5°	109.4°
C18	P01	O04	110.1°	109.5°
C18	P01	O06	108.3°	109.5°
O05	P01	O04	109.2°	109.5°
O05	P01	O06	110.5°	109.5°
O04	P01	O06	109.1°	109.5°
P01	O04	H2	109.5°	114.0°
P01	O06	H3	109.5°	114.0°
H4	N07	H5	109.5°	111.0°
H8	C09	H9	109.5°	115.6°
H10	C10	H11	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O03	C13	O02	C11	179.9°	180.0°
O03	C13	C11	C08	36.9°	25.8°
O03	C13	C11	N07	84.6°	145.8°
O03	C13	C11	C12	156.2°	94.2°
O03	C13	O02	H1	0.0°	0.0°
O02	C13	C11	C08	143.2°	154.3°
O02	C13	C11	N07	95.3°	34.3°
O02	C13	C11	C12	23.9°	85.7°
C13	C11	C08	C09	116.9°	106.0°
C13	C11	C08	N07	119.4°	120.0°
C13	C11	C08	C12	118.9°	120.0°
C13	C11	C08	C10	175.4°	174.7°
C13	C11	N07	C12	118.5°	120.0°
C13	C11	C12	C15	90.6°	90.0°
C13	C11	C12	C14	89.1°	90.4°
C11	C13	O02	H1	179.9°	180.0°
C13	C11	N07	H4	180.0°	180.0°
C13	C11	N07	H5	60.0°	56.1°
C13	C11	C08	H7	33.2°	39.7°
C08	C09	C10	H8	109.4°	107.5°
C08	C09	C10	H9	109.4°	107.5°
C09	C08	C11	C10	67.7°	68.6°
C09	C08	C11	H7	150.1°	145.7°
C09	C08	C10	H7	107.3°	107.5°
C09	C08	C11	N07	2.5°	14.0°
C09	C08	C11	C12	124.1°	134.0°
C08	C09	H8	H9	144.8°	145.7°
C08	C09	C10	H10	109.5°	107.5°
C08	C09	C10	H11	109.5°	107.5°
C10	C09	H8	H9	144.9°	145.7°
C09	C10	H10	H11	144.7°	145.7°
C11	C08	C10	H7	142.2°	145.0°
C08	C11	N07	C12	121.5°	120.0°
C08	C11	C12	C15	28.6°	150.0°
C08	C11	C12	C14	151.8°	29.6°
C08	C11	N07	H4	60.0°	59.9°
C08	C11	N07	H5	60.0°	64.0°
C11	C08	C09	H8	148.2°	145.0°
C11	C08	C09	H9	7.0°	0.0°
C11	C08	C10	H10	140.0°	0.0°
C11	C08	C10	H11	1.1°	145.0°
C10	C08	C11	N07	65.2°	54.6°
C10	C08	C11	C12	56.4°	65.3°
C08	C10	H10	H11	144.7°	145.7°
N07	C11	C12	C15	151.3°	30.0°
N07	C11	C12	C14	29.0°	149.6°
C11	N07	H4	H5	120.0°	124.0°
N07	C11	C08	H7	152.6°	159.7°
C11	C12	C15	C14	179.7°	179.6°
C11	C12	C15	C17	179.9°	180.0°
C11	C12	C14	C16	180.0°	180.0°
C12	C11	N07	H4	61.5°	60.0°
C12	C11	N07	H5	178.5°	176.1°
C12	C11	C08	H7	85.7°	80.3°
C11	C12	C14	H12	0.0°	0.1°
C11	C12	C15	H13	0.0°	0.1°
C12	C15	C17	H13	180.0°	179.9°
C15	C12	C14	C16	0.3°	0.4°
C12	C15	C17	C18	0.1°	0.1°
C15	C12	C14	H12	179.7°	179.7°
C12	C15	C17	H15	179.9°	179.9°
C14	C12	C15	C17	0.2°	0.4°
C12	C14	C16	H12	180.0°	179.9°
C12	C14	C16	C18	0.3°	0.0°
C14	C12	C15	H13	179.7°	179.7°
C12	C14	C16	H14	179.7°	179.9°
C15	C17	C18	H15	180.0°	180.0°
C15	C17	C18	C16	0.1°	0.3°
C15	C17	C18	P01	179.9°	180.0°
C14	C16	C18	C17	0.2°	0.4°
C14	C16	C18	H14	180.0°	179.9°
C14	C16	C18	P01	180.0°	180.0°
C17	C18	C16	P01	179.8°	179.7°
C17	C18	P01	O05	25.5°	114.7°
C17	C18	P01	O04	145.6°	5.3°
C17	C18	P01	O06	95.1°	125.3°
C18	C17	C15	H13	179.8°	180.0°
C17	C18	C16	H14	179.8°	179.7°
C16	C18	P01	O05	154.6°	65.0°
C16	C18	P01	O04	34.5°	175.0°
C16	C18	P01	O06	84.7°	55.0°
C18	C16	C14	H12	179.7°	179.9°
C16	C18	C17	H15	179.9°	179.7°
C18	P01	O05	O04	120.6°	120.0°
C18	P01	O05	O06	119.3°	120.0°
C18	P01	O04	O06	118.8°	120.0°
C18	P01	O04	H2	120.3°	179.9°
C18	P01	O06	H3	120.0°	60.0°
P01	C18	C16	H14	0.0°	0.0°
P01	C18	C17	H15	0.0°	0.0°
O05	P01	O04	O06	120.9°	120.0°
O05	P01	O04	H2	0.0°	60.0°
O05	P01	O06	H3	0.0°	180.0°
O04	P01	O06	H3	120.1°	60.0°
O06	P01	O04	H2	120.9°	60.0°
H7	C08	C09	H8	1.9°	0.0°
H7	C08	C09	H9	143.1°	145.0°
H7	C08	C10	H10	2.2°	145.0°
H7	C08	C10	H11	143.2°	0.0°
H8	C09	C10	H10	0.1°	145.1°
H8	C09	C10	H11	141.1°	0.0°
H9	C09	C10	H10	141.1°	0.0°
H9	C09	C10	H11	0.1°	145.0°
H12	C14	C16	H14	0.3°	0.0°
H13	C15	C17	H15	0.2°	0.0°

Release date:	2024-11-27
Definition date:	2023-09-22
Last modified:	2024-11-22
Release status:	REL
Processing site:	PDBJ
Derived from:	8WGD