RXH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C01	sing	0.00Å	1.43Å
OXT	C15	sing	0.00Å	1.36Å
C15	C14	sing	0.00Å	1.51Å
C15	O	doub	0.00Å	1.18Å
C14	C10	sing	0.00Å	1.52Å
C14	C8	sing	0.00Å	1.52Å
C11	C8	doub	0.00Å	1.40Å	Aromatic
C11	C13	sing	0.00Å	1.38Å	Aromatic
C8	C7	sing	0.00Å	1.38Å	Aromatic
C13	C5	doub	0.00Å	1.41Å	Aromatic
C7	C4	doub	0.00Å	1.39Å	Aromatic
C5	C4	sing	0.00Å	1.42Å	Aromatic
C5	C6	sing	0.00Å	1.39Å	Aromatic
C4	C3	sing	0.00Å	1.38Å	Aromatic
C6	C1	doub	0.00Å	1.40Å	Aromatic
C3	C2	doub	0.00Å	1.39Å	Aromatic
C1	C2	sing	0.00Å	1.36Å	Aromatic
C1	O2	sing	0.00Å	1.41Å
C12	O2	sing	0.00Å	1.39Å
C01	H1	sing	0.00Å	1.10Å
C01	H4	sing	0.00Å	1.10Å
C01	H5	sing	0.00Å	1.10Å
C2	H2	sing	0.00Å	1.08Å
C3	H3	sing	0.00Å	1.08Å
C6	H6	sing	0.00Å	1.08Å
C7	H7	sing	0.00Å	1.08Å
C10	H101	sing	0.00Å	1.10Å
C10	H102	sing	0.00Å	1.10Å
C10	H103	sing	0.00Å	1.10Å
C11	H11	sing	0.00Å	1.08Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C12	H123	sing	0.00Å	1.10Å
C13	H13	sing	0.00Å	1.08Å
C14	H14	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	OXT	C15	112.2°	90.0°
OXT	C01	H1	109.5°	90.0°
OXT	C01	H4	109.5°	90.0°
OXT	C01	H5	109.5°	90.0°
OXT	C15	C14	117.4°	90.0°
OXT	C15	O	117.8°	90.0°
C14	C15	O	124.6°	90.0°
C15	C14	C10	106.9°	90.0°
C15	C14	C8	108.2°	90.0°
C15	C14	H14	108.6°	90.0°
C10	C14	C8	116.0°	90.0°
C14	C10	H101	109.5°	90.0°
C14	C10	H102	109.5°	90.0°
C14	C10	H103	109.5°	90.0°
C10	C14	H14	108.4°	90.0°
C14	C8	C11	116.6°	90.0°
C14	C8	C7	123.4°	90.0°
C8	C14	H14	108.5°	90.0°
C8	C11	C13	121.8°	90.0°
C11	C8	C7	120.0°	90.0°
C8	C11	H11	119.1°	90.0°
C11	C13	C5	118.5°	90.0°
C13	C11	H11	119.1°	90.0°
C11	C13	H13	120.7°	90.0°
C8	C7	C4	119.7°	90.0°
C8	C7	H7	120.1°	90.0°
C13	C5	C4	119.6°	90.0°
C13	C5	C6	120.5°	90.0°
C5	C13	H13	120.7°	90.0°
C7	C4	C5	120.3°	90.0°
C7	C4	C3	122.7°	90.0°
C4	C7	H7	120.2°	90.0°
C4	C5	C6	120.0°	90.0°
C5	C4	C3	116.7°	90.0°
C5	C6	C1	121.7°	90.0°
C5	C6	H6	119.1°	90.0°
C4	C3	C2	122.6°	90.0°
C4	C3	H3	118.7°	90.0°
C6	C1	C2	117.9°	90.0°
C6	C1	O2	124.6°	90.0°
C1	C6	H6	119.2°	90.0°
C3	C2	C1	121.0°	90.0°
C3	C2	H2	119.5°	90.0°
C2	C3	H3	118.7°	90.0°
C2	C1	O2	117.5°	90.0°
C1	C2	H2	119.5°	90.0°
C1	O2	C12	117.5°	90.0°
O2	C12	H121	109.5°	90.0°
O2	C12	H122	109.5°	90.0°
O2	C12	H123	109.5°	90.0°
H1	C01	H4	109.5°	90.0°
H1	C01	H5	109.4°	90.0°
H4	C01	H5	109.5°	90.0°
H101	C10	H102	109.4°	90.0°
H101	C10	H103	109.5°	90.0°
H102	C10	H103	109.5°	90.0°
H121	C12	H122	109.5°	90.0°
H121	C12	H123	109.4°	90.0°
H122	C12	H123	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	OXT	C15	C14	177.9°	90.0°
C01	OXT	C15	O	5.9°	90.0°
OXT	C01	H1	H4	120.0°	90.0°
OXT	C01	H1	H5	120.0°	90.0°
OXT	C01	H4	H5	120.0°	90.0°
OXT	C15	C14	O	175.9°	90.0°
OXT	C15	C14	C10	148.2°	90.0°
OXT	C15	C14	C8	86.2°	90.0°
C15	OXT	C01	H1	180.0°	90.0°
C15	OXT	C01	H4	60.0°	90.0°
C15	OXT	C01	H5	60.0°	90.0°
OXT	C15	C14	H14	31.4°	90.0°
C15	C14	C10	C8	120.7°	90.0°
C15	C14	C10	H14	116.9°	90.0°
C15	C14	C8	H14	117.6°	90.0°
C15	C14	C8	C11	75.5°	90.0°
C15	C14	C8	C7	107.8°	90.0°
C15	C14	C10	H101	180.0°	90.0°
C15	C14	C10	H102	60.0°	90.0°
C15	C14	C10	H103	60.0°	90.0°
O	C15	C14	C10	27.7°	90.0°
O	C15	C14	C8	97.9°	90.0°
O	C15	C14	H14	144.5°	90.0°
C10	C14	C8	H14	122.4°	90.0°
C10	C14	C8	C11	164.5°	90.0°
C10	C14	C8	C7	12.3°	90.0°
C14	C10	H101	H102	120.0°	90.0°
C14	C10	H101	H103	120.0°	90.0°
C14	C10	H102	H103	120.0°	90.0°
C14	C8	C11	C7	176.9°	90.0°
C14	C8	C11	C13	177.9°	90.0°
C14	C8	C7	C4	177.0°	90.0°
C14	C8	C7	H7	3.0°	90.0°
C8	C14	C10	H101	59.3°	90.0°
C8	C14	C10	H102	179.3°	90.0°
C8	C14	C10	H103	60.7°	90.0°
C14	C8	C11	H11	2.1°	90.0°
C8	C11	C13	H11	180.0°	90.0°
C8	C11	C13	C5	0.3°	90.0°
C11	C8	C7	C4	0.3°	90.0°
C11	C8	C7	H7	179.7°	90.0°
C8	C11	C13	H13	179.7°	90.0°
C11	C8	C14	H14	42.2°	90.0°
C13	C11	C8	C7	1.0°	90.0°
C11	C13	C5	H13	180.0°	90.0°
C11	C13	C5	C4	2.3°	90.0°
C11	C13	C5	C6	178.5°	90.0°
C8	C7	C4	H7	180.0°	90.0°
C8	C7	C4	C5	1.7°	90.0°
C8	C7	C4	C3	175.8°	90.0°
C7	C8	C11	H11	179.0°	90.0°
C7	C8	C14	H14	134.6°	90.0°
C13	C5	C4	C7	3.0°	90.0°
C13	C5	C4	C6	179.2°	90.0°
C13	C5	C4	C3	177.5°	90.0°
C13	C5	C6	C1	179.7°	90.0°
C13	C5	C6	H6	0.3°	90.0°
C5	C13	C11	H11	179.7°	90.0°
C7	C4	C5	C3	174.4°	90.0°
C7	C4	C5	C6	177.8°	90.0°
C7	C4	C3	C2	179.2°	90.0°
C7	C4	C3	H3	0.8°	90.0°
C4	C5	C6	C1	0.5°	90.0°
C5	C4	C3	C2	4.9°	90.0°
C5	C4	C3	H3	175.1°	90.0°
C4	C5	C6	H6	179.5°	90.0°
C5	C4	C7	H7	178.3°	90.0°
C4	C5	C13	H13	177.7°	90.0°
C6	C5	C4	C3	3.3°	90.0°
C5	C6	C1	H6	180.0°	90.0°
C5	C6	C1	C2	0.9°	90.0°
C5	C6	C1	O2	179.1°	90.0°
C6	C5	C13	H13	1.5°	90.0°
C4	C3	C2	H3	180.0°	90.0°
C4	C3	C2	C1	3.7°	90.0°
C4	C3	C2	H2	176.4°	90.0°
C3	C4	C7	H7	4.2°	90.0°
C6	C1	C2	C3	0.6°	90.0°
C6	C1	C2	O2	180.0°	90.0°
C6	C1	O2	C12	2.7°	90.0°
C6	C1	C2	H2	179.4°	90.0°
C3	C2	C1	H2	180.0°	90.0°
C3	C2	C1	O2	179.5°	90.0°
C2	C1	O2	C12	177.2°	90.0°
C1	C2	C3	H3	176.4°	90.0°
C2	C1	C6	H6	179.1°	90.0°
O2	C1	C2	H2	0.5°	90.0°
O2	C1	C6	H6	0.9°	90.0°
C1	O2	C12	H121	180.0°	90.0°
C1	O2	C12	H122	60.0°	90.0°
C1	O2	C12	H123	60.0°	90.0°
O2	C12	H121	H122	120.0°	90.0°
O2	C12	H121	H123	120.0°	90.0°
O2	C12	H122	H123	120.0°	90.0°
H1	C01	H4	H5	120.0°	90.0°
H2	C2	C3	H3	3.6°	90.0°
H101	C10	H102	H103	120.0°	90.0°
H101	C10	C14	H14	63.1°	90.0°
H102	C10	C14	H14	56.9°	90.0°
H103	C10	C14	H14	176.9°	90.0°
H11	C11	C13	H13	0.3°	90.0°
H121	C12	H122	H123	119.9°	90.0°

Release date:	2021-03-03
Definition date:	2020-10-29
Last modified:	2021-02-26
Release status:	REL
Processing site:	PDBE
Derived from:	7ATD