RW8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C16	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.40Å	Aromatic
C16	C17	sing	1.40Å	1.40Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
C03	O04	doub	1.21Å	1.17Å
C03	C05	sing	1.51Å	1.51Å
O08	C07	doub	1.21Å	1.19Å
C17	C12	doub	1.39Å	1.39Å	Aromatic
C17	N09	sing	1.40Å	1.47Å
C13	C12	sing	1.38Å	1.39Å	Aromatic
C07	N09	sing	1.35Å	1.42Å
C07	C06	sing	1.51Å	1.50Å
C12	C11	sing	1.51Å	1.51Å
N09	C10	sing	1.47Å	1.47Å
C06	C05	sing	1.53Å	1.52Å
C10	C11	sing	1.54Å	1.50Å
C05	H2	sing	1.09Å	1.10Å
C05	H3	sing	1.09Å	1.10Å
C06	H4	sing	1.09Å	1.10Å
C06	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C03	O1	sing	1.34Å	9.21Å
O1	C2	sing	1.45Å	0.00Å
C2	H1	sing	1.09Å	0.00Å
C2	H14	sing	1.09Å	0.00Å
C2	H15	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C15	C14	122.0°	120.2°
C15	C16	C17	117.2°	120.3°
C16	C15	H12	119.0°	119.9°
C15	C16	H13	121.4°	119.8°
C15	C14	C13	119.9°	119.8°
C15	C14	H11	120.0°	120.1°
C14	C15	H12	119.0°	119.9°
C16	C17	C12	121.7°	119.0°
C16	C17	N09	129.5°	129.3°
C17	C16	H13	121.4°	119.9°
C14	C13	C12	118.8°	120.2°
C14	C13	H10	120.6°	119.9°
C13	C14	H11	120.1°	120.1°
O04	C03	C05	124.3°	120.0°
O04	C03	O1	70.3°	120.0°
C03	C05	C06	116.5°	109.5°
C03	C05	H2	107.7°	109.5°
C03	C05	H3	107.7°	109.5°
C05	C03	O1	123.7°	120.0°
O08	C07	N09	121.2°	120.0°
O08	C07	C06	121.6°	120.0°
C12	C17	N09	108.2°	111.7°
C17	C12	C13	120.2°	120.5°
C17	C12	C11	110.2°	108.5°
C17	N09	C07	125.6°	125.0°
C17	N09	C10	109.0°	110.0°
C13	C12	C11	129.6°	131.0°
C12	C13	H10	120.6°	119.9°
N09	C07	C06	117.2°	120.0°
C07	N09	C10	125.0°	125.0°
C07	C06	C05	113.6°	109.5°
C07	C06	H4	108.5°	109.5°
C07	C06	H5	108.4°	109.5°
C12	C11	C10	104.5°	104.6°
C12	C11	H8	110.7°	110.4°
C12	C11	H9	110.7°	110.6°
N09	C10	C11	106.4°	105.2°
N09	C10	H6	110.2°	110.3°
N09	C10	H7	110.2°	110.4°
C06	C05	H2	107.7°	109.5°
C06	C05	H3	107.7°	109.5°
C05	C06	H4	108.4°	109.4°
C05	C06	H5	108.4°	109.5°
C11	C10	H6	110.2°	110.2°
C11	C10	H7	110.2°	110.3°
C10	C11	H8	110.7°	110.4°
C10	C11	H9	110.7°	110.4°
H2	C05	H3	109.5°	109.4°
H4	C06	H5	109.5°	109.4°
H6	C10	H7	109.5°	110.3°
H8	C11	H9	109.5°	110.4°
C03	O1	C2	90.0°	117.0°
O1	C2	H1	90.0°	109.5°
O1	C2	H14	90.0°	109.5°
O1	C2	H15	90.0°	109.4°
H1	C2	H14	90.0°	109.4°
H1	C2	H15	90.0°	109.5°
H14	C2	H15	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C15	C14	H12	180.0°	180.0°
C15	C16	C17	H13	180.0°	180.0°
C16	C15	C14	C13	0.5°	0.0°
C15	C16	C17	C12	4.6°	0.0°
C15	C16	C17	N09	174.4°	180.0°
C16	C15	C14	H11	179.6°	180.0°
C14	C15	C16	C17	2.8°	0.0°
C15	C14	C13	H11	180.0°	180.0°
C15	C14	C13	C12	0.1°	0.0°
C15	C14	C13	H10	179.9°	180.0°
C14	C15	C16	H13	177.3°	180.0°
C16	C17	C12	N09	171.7°	180.0°
C16	C17	C12	C13	4.2°	0.0°
C16	C17	N09	C07	6.3°	0.1°
C16	C17	C12	C11	176.1°	179.9°
C16	C17	N09	C10	166.8°	180.0°
C17	C16	C15	H12	177.3°	180.0°
C14	C13	C12	C17	1.7°	0.0°
C14	C13	C12	H10	180.0°	180.0°
C14	C13	C12	C11	178.7°	179.9°
C13	C14	C15	H12	179.6°	180.0°
O04	C03	C05	O1	88.0°	179.8°
O04	C03	C05	C06	128.4°	0.0°
O04	C03	C05	H2	110.6°	120.0°
O04	C03	C05	H3	7.3°	120.1°
O04	C03	O1	C2	90.0°	0.0°
C03	C05	C06	C07	54.3°	180.0°
C03	C05	C06	H2	121.0°	120.0°
C03	C05	C06	H3	121.0°	120.0°
C03	C05	H2	H3	116.8°	120.0°
C03	C05	C06	H4	174.9°	60.0°
C03	C05	C06	H5	66.3°	59.9°
C05	C03	O1	C2	90.0°	179.7°
O08	C07	N09	C17	6.8°	180.0°
O08	C07	N09	C06	178.6°	180.0°
O08	C07	N09	C10	178.8°	0.1°
O08	C07	C06	C05	17.6°	0.0°
O08	C07	C06	H4	138.2°	120.0°
O08	C07	C06	H5	103.1°	120.0°
C17	C12	C13	C11	179.7°	179.9°
C12	C17	N09	C07	177.1°	179.9°
C12	C17	N09	C10	4.1°	0.0°
C17	C12	C11	C10	10.8°	0.0°
C17	C12	C11	H8	108.4°	118.8°
C17	C12	C11	H9	130.1°	118.8°
C17	C12	C13	H10	178.3°	180.0°
C12	C17	C16	H13	175.4°	180.0°
N09	C17	C12	C13	175.9°	180.0°
C17	N09	C07	C10	172.0°	179.9°
C17	N09	C07	C06	171.7°	0.0°
N09	C17	C12	C11	4.4°	0.0°
C17	N09	C10	C11	10.8°	0.0°
C17	N09	C10	H6	108.8°	118.9°
C17	N09	C10	H7	130.3°	119.0°
N09	C17	C16	H13	5.6°	0.0°
C13	C12	C11	C10	169.5°	180.0°
C13	C12	C11	H8	71.3°	61.3°
C13	C12	C11	H9	50.3°	61.1°
C12	C13	C14	H11	179.8°	180.0°
N09	C07	C06	C05	163.9°	180.0°
C07	N09	C10	C11	176.1°	179.9°
N09	C07	C06	H4	43.3°	60.0°
N09	C07	C06	H5	75.5°	60.0°
C07	N09	C10	H6	64.4°	61.0°
C07	N09	C10	H7	56.6°	61.1°
C06	C07	N09	C10	0.3°	179.9°
C07	C06	C05	H4	120.6°	120.0°
C07	C06	C05	H5	120.6°	120.1°
C07	C06	C05	H2	175.3°	60.0°
C07	C06	C05	H3	66.7°	60.0°
C07	C06	H4	H5	118.1°	120.1°
C12	C11	C10	N09	12.8°	0.0°
C12	C11	C10	H8	119.2°	118.7°
C12	C11	C10	H9	119.2°	119.0°
C12	C11	C10	H6	106.7°	118.9°
C12	C11	C10	H7	132.3°	119.0°
C12	C11	H8	H9	122.3°	122.5°
C11	C12	C13	H10	1.3°	0.1°
N09	C10	C11	H6	119.5°	118.9°
N09	C10	C11	H7	119.5°	119.1°
N09	C10	H6	H7	121.4°	122.2°
N09	C10	C11	H8	106.4°	118.8°
N09	C10	C11	H9	132.0°	118.9°
C06	C05	H2	H3	116.8°	120.0°
C05	C06	H4	H5	118.1°	119.9°
C06	C05	C03	O1	40.4°	179.7°
C11	C10	H6	H7	121.4°	122.1°
C10	C11	H8	H9	122.3°	122.3°
H2	C05	C06	H4	64.0°	180.0°
H2	C05	C06	H5	54.7°	60.1°
H2	C05	C03	O1	161.4°	60.2°
H3	C05	C06	H4	53.9°	60.1°
H3	C05	C06	H5	172.7°	180.0°
H3	C05	C03	O1	80.6°	59.7°
H6	C10	C11	H8	134.0°	122.3°
H6	C10	C11	H9	12.5°	0.0°
H7	C10	C11	H8	13.1°	0.3°
H7	C10	C11	H9	108.5°	122.0°
H10	C13	C14	H11	0.2°	0.0°
H11	C14	C15	H12	0.4°	0.0°
H12	C15	C16	H13	2.7°	0.0°
C03	O1	C2	H1	90.0°	60.0°
C03	O1	C2	H14	90.0°	60.0°
C03	O1	C2	H15	90.0°	180.0°
O1	C2	H1	H14	90.0°	120.0°
O1	C2	H1	H15	90.0°	120.0°
O1	C2	H14	H15	90.0°	120.0°
H1	C2	H14	H15	90.0°	120.0°

Release date:	2021-08-04
Definition date:	2020-10-27
Last modified:	2021-07-30
Release status:	REL
Processing site:	PDBE
Derived from:	7ARG