RHX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	sing	0.00Å	1.55Å
C13	C21	sing	0.00Å	1.49Å
C13	N2	sing	0.00Å	1.49Å
C13	H13	sing	0.00Å	1.10Å
C12	O2	sing	0.00Å	1.42Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C11	O2	sing	0.00Å	1.43Å
C11	N2	doub	0.00Å	1.26Å
C11	C6	sing	0.00Å	1.47Å
C9	N1	sing	0.00Å	1.46Å
C9	C17	sing	0.00Å	1.49Å
C9	C8	sing	0.00Å	1.55Å
C9	H9	sing	0.00Å	1.10Å
C1	C6	doub	0.00Å	1.35Å	Aromatic
C1	RH1	sing	0.00Å	1.86Å
C1	C2	sing	0.00Å	1.44Å	Aromatic
C2	C3	doub	0.00Å	1.40Å	Aromatic
C2	C7	sing	0.00Å	1.50Å
C3	C4	sing	0.00Å	1.41Å	Aromatic
C3	H3	sing	0.00Å	1.08Å
C8	O1	sing	0.00Å	1.43Å
C8	H81	sing	0.00Å	1.10Å
C8	H82	sing	0.00Å	1.10Å
C7	N1	doub	0.00Å	1.26Å
C7	O1	sing	0.00Å	1.44Å
C4	C5	doub	0.00Å	1.39Å	Aromatic
C4	H4	sing	0.00Å	1.08Å
C5	C6	sing	0.00Å	1.40Å	Aromatic
C5	H5	sing	0.00Å	1.08Å
RH1	N2	sing	0.00Å	1.94Å
RH1	N1	sing	0.00Å	1.90Å
C21	C58	doub	0.00Å	1.40Å	Aromatic
C21	C62	sing	0.00Å	1.40Å	Aromatic
C62	C61	doub	0.00Å	1.39Å	Aromatic
C62	H62	sing	0.00Å	1.08Å
C61	C60	sing	0.00Å	1.40Å	Aromatic
C61	H61	sing	0.00Å	1.08Å
C60	C59	doub	0.00Å	1.40Å	Aromatic
C60	H60	sing	0.00Å	1.08Å
C59	C58	sing	0.00Å	1.40Å	Aromatic
C59	H59	sing	0.00Å	1.08Å
C58	H58	sing	0.00Å	1.08Å
C17	C51	sing	0.00Å	1.40Å	Aromatic
C17	C47	doub	0.00Å	1.41Å	Aromatic
C51	C50	doub	0.00Å	1.40Å	Aromatic
C51	H51	sing	0.00Å	1.08Å
C50	C49	sing	0.00Å	1.39Å	Aromatic
C50	H50	sing	0.00Å	1.08Å
C49	C48	doub	0.00Å	1.40Å	Aromatic
C49	H49	sing	0.00Å	1.08Å
C48	C47	sing	0.00Å	1.40Å	Aromatic
C48	H48	sing	0.00Å	1.08Å
C47	H47	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C21	105.3°	90.0°
C12	C13	N2	102.9°	90.0°
C12	C13	H13	109.1°	90.0°
C13	C12	O2	106.2°	90.0°
C13	C12	H121	110.3°	90.0°
C13	C12	H122	110.3°	90.0°
C21	C13	N2	119.1°	90.0°
C21	C13	H13	109.8°	90.0°
C13	C21	C58	122.0°	90.0°
C13	C21	C62	118.9°	90.0°
N2	C13	H13	109.9°	90.0°
C13	N2	C11	109.3°	90.0°
C13	N2	RH1	133.0°	90.0°
O2	C12	H121	110.3°	90.0°
O2	C12	H122	110.3°	90.0°
C12	O2	C11	105.4°	90.0°
H121	C12	H122	109.5°	90.0°
O2	C11	N2	115.4°	90.0°
O2	C11	C6	129.4°	90.0°
N2	C11	C6	115.1°	90.0°
C11	N2	RH1	117.7°	90.0°
C11	C6	C1	107.2°	90.0°
C11	C6	C5	130.1°	90.0°
N1	C9	C17	109.7°	90.0°
N1	C9	C8	102.7°	90.0°
N1	C9	H9	110.9°	90.0°
C9	N1	C7	112.8°	90.0°
C9	N1	RH1	127.6°	90.0°
C17	C9	C8	113.3°	90.0°
C17	C9	H9	110.4°	90.0°
C9	C17	C51	119.6°	90.0°
C9	C17	C47	121.4°	90.0°
C8	C9	H9	109.6°	90.0°
C9	C8	O1	105.0°	90.0°
C9	C8	H81	110.6°	90.0°
C9	C8	H82	110.6°	90.0°
C6	C1	RH1	121.5°	90.0°
C6	C1	C2	120.0°	90.0°
C1	C6	C5	122.7°	90.0°
RH1	C1	C2	118.5°	90.0°
C1	RH1	N2	78.6°	90.0°
C1	RH1	N1	80.6°	90.0°
C1	C2	C3	118.8°	90.0°
C1	C2	C7	106.3°	90.0°
C3	C2	C7	134.9°	90.0°
C2	C3	C4	118.9°	90.0°
C2	C3	H3	120.5°	90.0°
C2	C7	N1	114.7°	90.0°
C2	C7	O1	133.3°	90.0°
C4	C3	H3	120.6°	90.0°
C3	C4	C5	122.1°	90.0°
C3	C4	H4	119.0°	90.0°
O1	C8	H81	110.6°	90.0°
O1	C8	H82	110.6°	90.0°
C8	O1	C7	107.4°	90.0°
H81	C8	H82	109.5°	90.0°
N1	C7	O1	111.9°	90.0°
C7	N1	RH1	119.5°	90.0°
C5	C4	H4	119.0°	90.0°
C4	C5	C6	117.5°	90.0°
C4	C5	H5	121.3°	90.0°
C6	C5	H5	121.3°	90.0°
N2	RH1	N1	159.0°	90.0°
C58	C21	C62	119.1°	90.0°
C21	C58	C59	120.0°	90.0°
C21	C58	H58	120.0°	90.0°
C21	C62	C61	121.0°	90.0°
C21	C62	H62	119.5°	90.0°
C61	C62	H62	119.5°	90.0°
C62	C61	C60	119.9°	90.0°
C62	C61	H61	120.1°	90.0°
C60	C61	H61	120.0°	90.0°
C61	C60	C59	119.5°	90.0°
C61	C60	H60	120.2°	90.0°
C59	C60	H60	120.3°	90.0°
C60	C59	C58	120.5°	90.0°
C60	C59	H59	119.8°	90.0°
C58	C59	H59	119.8°	90.0°
C59	C58	H58	120.0°	90.0°
C51	C17	C47	119.0°	90.0°
C17	C51	C50	121.1°	90.0°
C17	C51	H51	119.4°	90.0°
C17	C47	C48	120.0°	90.0°
C17	C47	H47	120.0°	90.0°
C50	C51	H51	119.4°	90.0°
C51	C50	C49	119.7°	90.0°
C51	C50	H50	120.2°	90.0°
C49	C50	H50	120.1°	90.0°
C50	C49	C48	119.8°	90.0°
C50	C49	H49	120.1°	90.0°
C48	C49	H49	120.1°	90.0°
C49	C48	C47	120.3°	90.0°
C49	C48	H48	119.8°	90.0°
C47	C48	H48	119.8°	90.0°
C48	C47	H47	120.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C21	N2	114.7°	90.0°
C12	C13	C21	H13	117.4°	90.0°
C12	C13	N2	H13	116.1°	90.0°
C13	C12	O2	H121	119.5°	90.0°
C13	C12	O2	H122	119.5°	90.0°
C13	C12	H121	H122	121.5°	90.0°
C13	C12	O2	C11	9.0°	90.0°
C12	C13	N2	C11	1.8°	90.0°
C12	C13	N2	RH1	179.1°	90.0°
C12	C13	C21	C58	49.9°	90.0°
C12	C13	C21	C62	127.8°	90.0°
C21	C13	N2	H13	127.9°	90.0°
C21	C13	C12	O2	118.6°	90.0°
C21	C13	C12	H121	121.9°	90.0°
C21	C13	C12	H122	0.8°	90.0°
C21	C13	N2	C11	114.1°	90.0°
C21	C13	N2	RH1	64.9°	90.0°
C13	C21	C58	C62	177.7°	90.0°
C13	C21	C62	C61	179.4°	90.0°
C13	C21	C62	H62	0.6°	90.0°
C13	C21	C58	C59	179.2°	90.0°
C13	C21	C58	H58	0.7°	90.0°
N2	C13	C12	O2	6.8°	90.0°
N2	C13	C12	H121	112.6°	90.0°
N2	C13	C12	H122	126.3°	90.0°
C13	N2	C11	O2	4.1°	90.0°
C13	N2	C11	RH1	179.2°	90.0°
C13	N2	C11	C6	178.5°	90.0°
C13	N2	RH1	C1	179.4°	90.0°
C13	N2	RH1	N1	173.9°	90.0°
N2	C13	C21	C58	64.7°	90.0°
N2	C13	C21	C62	117.6°	90.0°
H13	C13	C12	O2	123.5°	90.0°
H13	C13	C12	H121	4.0°	90.0°
H13	C13	C12	H122	117.0°	90.0°
H13	C13	N2	C11	118.0°	90.0°
H13	C13	N2	RH1	63.0°	90.0°
H13	C13	C21	C58	167.3°	90.0°
H13	C13	C21	C62	10.4°	90.0°
O2	C12	H121	H122	121.6°	90.0°
C12	O2	C11	N2	8.7°	90.0°
C12	O2	C11	C6	174.4°	90.0°
H121	C12	O2	C11	110.5°	90.0°
H122	C12	O2	C11	128.4°	90.0°
O2	C11	N2	C6	177.4°	90.0°
O2	C11	C6	C1	175.2°	90.0°
O2	C11	C6	C5	5.4°	90.0°
O2	C11	N2	RH1	175.1°	90.0°
N2	C11	C6	C1	1.7°	90.0°
C11	N2	RH1	C1	1.6°	90.0°
N2	C11	C6	C5	177.7°	90.0°
C11	N2	RH1	N1	5.1°	90.0°
C11	C6	C1	C5	179.4°	90.0°
C11	C6	C1	RH1	0.4°	90.0°
C11	C6	C1	C2	180.0°	90.0°
C11	C6	C5	C4	179.8°	90.0°
C11	C6	C5	H5	0.2°	90.0°
C6	C11	N2	RH1	2.3°	90.0°
N1	C9	C17	C8	114.1°	90.0°
N1	C9	C17	H9	122.5°	90.0°
N1	C9	C8	H9	118.0°	90.0°
C9	N1	RH1	C1	175.2°	90.0°
C9	N1	C7	C2	174.2°	90.0°
N1	C9	C8	O1	0.8°	90.0°
N1	C9	C8	H81	118.4°	90.0°
N1	C9	C8	H82	120.1°	90.0°
C9	N1	C7	RH1	179.3°	90.0°
C9	N1	C7	O1	4.4°	90.0°
C9	N1	RH1	N2	168.5°	90.0°
N1	C9	C17	C51	141.3°	90.0°
N1	C9	C17	C47	37.3°	90.0°
C17	C9	C8	H9	123.8°	90.0°
C17	C9	C8	O1	117.4°	90.0°
C17	C9	C8	H81	123.4°	90.0°
C17	C9	C8	H82	1.9°	90.0°
C17	C9	N1	C7	122.9°	90.0°
C17	C9	N1	RH1	56.3°	90.0°
C9	C17	C51	C47	178.6°	90.0°
C9	C17	C51	C50	179.1°	90.0°
C9	C17	C51	H51	1.0°	90.0°
C9	C17	C47	C48	178.4°	90.0°
C9	C17	C47	H47	1.6°	90.0°
C9	C8	O1	H81	119.3°	90.0°
C9	C8	O1	H82	119.3°	90.0°
C9	C8	H81	H82	122.1°	90.0°
C8	C9	N1	C7	2.2°	90.0°
C9	C8	O1	C7	3.1°	90.0°
C8	C9	N1	RH1	177.0°	90.0°
C8	C9	C17	C51	104.7°	90.0°
C8	C9	C17	C47	76.8°	90.0°
H9	C9	C8	O1	118.8°	90.0°
H9	C9	C8	H81	0.5°	90.0°
H9	C9	C8	H82	121.9°	90.0°
H9	C9	N1	C7	114.9°	90.0°
H9	C9	N1	RH1	65.9°	90.0°
H9	C9	C17	C51	18.7°	90.0°
H9	C9	C17	C47	159.8°	90.0°
C6	C1	RH1	C2	179.6°	90.0°
C6	C1	C2	C3	0.5°	90.0°
C6	C1	C2	C7	179.3°	90.0°
C1	C6	C5	C4	0.5°	90.0°
C1	C6	C5	H5	179.6°	90.0°
C6	C1	RH1	N2	0.5°	90.0°
C6	C1	RH1	N1	177.1°	90.0°
RH1	C1	C2	C3	180.0°	90.0°
RH1	C1	C2	C7	1.1°	90.0°
C1	RH1	N1	C7	5.6°	90.0°
RH1	C1	C6	C5	179.0°	90.0°
C1	RH1	N2	N1	6.7°	90.0°
C1	C2	C3	C7	178.4°	90.0°
C1	C2	C3	C4	1.5°	90.0°
C1	C2	C3	H3	178.5°	90.0°
C1	C2	C7	N1	3.3°	90.0°
C1	C2	C7	O1	178.5°	90.0°
C2	C1	C6	C5	0.5°	90.0°
C2	C1	RH1	N2	179.1°	90.0°
C2	C1	RH1	N1	3.4°	90.0°
C2	C3	C4	H3	180.0°	90.0°
C3	C2	C7	N1	175.3°	90.0°
C3	C2	C7	O1	3.0°	90.0°
C2	C3	C4	C5	1.6°	90.0°
C2	C3	C4	H4	178.4°	90.0°
C7	C2	C3	C4	179.9°	90.0°
C7	C2	C3	H3	0.1°	90.0°
C2	C7	O1	C8	173.5°	90.0°
C2	C7	N1	O1	178.6°	90.0°
C2	C7	N1	RH1	6.5°	90.0°
C3	C4	C5	H4	180.0°	90.0°
C3	C4	C5	C6	0.6°	90.0°
C3	C4	C5	H5	179.3°	90.0°
H3	C3	C4	C5	178.4°	90.0°
H3	C3	C4	H4	1.6°	90.0°
O1	C8	H81	H82	122.0°	90.0°
C8	O1	C7	N1	4.8°	90.0°
H81	C8	O1	C7	116.2°	90.0°
H82	C8	O1	C7	122.4°	90.0°
C7	N1	RH1	N2	12.3°	90.0°
O1	C7	N1	RH1	174.9°	90.0°
C4	C5	C6	H5	180.0°	90.0°
H4	C4	C5	C6	179.4°	90.0°
H4	C4	C5	H5	0.7°	90.0°
C58	C21	C62	C61	1.6°	90.0°
C58	C21	C62	H62	178.4°	90.0°
C21	C58	C59	C60	0.9°	90.0°
C21	C58	C59	H58	180.0°	90.0°
C21	C58	C59	H59	179.1°	90.0°
C21	C62	C61	H62	180.0°	90.0°
C21	C62	C61	C60	0.9°	90.0°
C21	C62	C61	H61	179.0°	90.0°
C62	C21	C58	C59	1.5°	90.0°
C62	C21	C58	H58	178.4°	90.0°
C62	C61	C60	H61	180.0°	90.0°
C62	C61	C60	C59	0.3°	90.0°
C62	C61	C60	H60	179.7°	90.0°
H62	C62	C61	C60	179.0°	90.0°
H62	C62	C61	H61	1.0°	90.0°
C61	C60	C59	H60	180.0°	90.0°
C61	C60	C59	C58	0.2°	90.0°
C61	C60	C59	H59	179.8°	90.0°
H61	C61	C60	C59	179.7°	90.0°
H61	C61	C60	H60	0.3°	90.0°
C60	C59	C58	H59	180.0°	90.0°
C60	C59	C58	H58	179.1°	90.0°
H60	C60	C59	C58	179.7°	90.0°
H60	C60	C59	H59	0.2°	90.0°
H59	C59	C58	H58	0.9°	90.0°
C17	C51	C50	H51	180.0°	90.0°
C17	C51	C50	C49	0.7°	90.0°
C17	C51	C50	H50	179.3°	90.0°
C51	C17	C47	C48	0.2°	90.0°
C51	C17	C47	H47	179.8°	90.0°
C47	C17	C51	C50	0.5°	90.0°
C47	C17	C51	H51	179.6°	90.0°
C17	C47	C48	C49	0.5°	90.0°
C17	C47	C48	H47	180.0°	90.0°
C17	C47	C48	H48	179.5°	90.0°
C51	C50	C49	H50	180.0°	90.0°
C51	C50	C49	C48	0.3°	90.0°
C51	C50	C49	H49	179.7°	90.0°
H51	C51	C50	C49	179.3°	90.0°
H51	C51	C50	H50	0.7°	90.0°
C50	C49	C48	H49	180.0°	90.0°
C50	C49	C48	C47	0.3°	90.0°
C50	C49	C48	H48	179.7°	90.0°
H50	C50	C49	C48	179.6°	90.0°
H50	C50	C49	H49	0.3°	90.0°
C49	C48	C47	H48	180.0°	90.0°
C49	C48	C47	H47	179.4°	90.0°
H49	C49	C48	C47	179.7°	90.0°
H49	C49	C48	H48	0.3°	90.0°
H48	C48	C47	H47	0.5°	90.0°

Definition date:	2007-02-23
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB