U6R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.35Å	1.34Å	Aromatic
C11	N	sing	1.36Å	1.33Å	Aromatic
C10	C9	sing	1.46Å	1.40Å	Aromatic
O1	N	sing	1.42Å	1.29Å
N	C7	sing	1.35Å	1.38Å	Aromatic
C9	N1	doub	1.32Å	1.34Å	Aromatic
C9	C8	sing	1.48Å	1.43Å	Aromatic
N1	N2	sing	1.29Å	1.39Å	Aromatic
C7	C8	doub	1.39Å	1.37Å	Aromatic
C7	C4	sing	1.47Å	1.48Å
C8	C12	sing	1.40Å	1.41Å	Aromatic
N2	C12	doub	1.32Å	1.37Å	Aromatic
C4	C3	doub	1.40Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C12	C13	sing	1.51Å	1.49Å
C3	C2	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C13	C14	sing	1.53Å	1.51Å
C13	C15	sing	1.53Å	1.51Å
C6	C1	sing	1.39Å	1.38Å	Aromatic
C1	O	sing	1.36Å	1.37Å
C14	C15	sing	1.53Å	1.48Å
O	C	sing	1.43Å	1.42Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
O1	H10	sing	0.97Å	0.95Å
C5	H11	sing	1.08Å	1.08Å
C6	H12	sing	1.08Å	1.08Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	N	120.3°	122.3°
C11	C10	C9	120.4°	118.6°
C11	C10	H3	119.8°	120.7°
C10	C11	H4	119.9°	118.8°
C11	N	O1	117.3°	118.5°
C11	N	C7	123.1°	123.1°
N	C11	H4	119.8°	118.9°
C10	C9	N1	133.8°	136.9°
C10	C9	C8	118.6°	117.6°
C9	C10	H3	119.8°	120.7°
O1	N	C7	119.5°	118.5°
N	O1	H10	109.5°	114.0°
N	C7	C8	118.6°	119.9°
N	C7	C4	119.0°	120.0°
N1	C9	C8	107.5°	105.5°
C9	N1	N2	112.3°	110.9°
C9	C8	C7	119.0°	118.5°
C9	C8	C12	104.1°	103.9°
N1	N2	C12	104.4°	112.7°
C8	C7	C4	122.4°	120.0°
C7	C8	C12	136.9°	137.5°
C7	C4	C3	121.3°	120.1°
C7	C4	C5	119.8°	120.1°
C8	C12	N2	111.6°	106.9°
C8	C12	C13	128.4°	126.5°
N2	C12	C13	120.0°	126.6°
C3	C4	C5	118.8°	119.7°
C4	C3	C2	120.7°	119.9°
C4	C3	H2	119.6°	120.0°
C4	C5	C6	120.8°	119.9°
C4	C5	H11	119.6°	120.0°
C12	C13	C14	118.5°	117.5°
C12	C13	C15	118.5°	117.5°
C12	C13	H5	116.3°	115.5°
C3	C2	C1	119.5°	120.1°
C3	C2	H1	120.2°	120.0°
C2	C3	H2	119.7°	120.1°
C5	C6	C1	119.8°	120.1°
C6	C5	H11	119.6°	120.1°
C5	C6	H12	120.1°	119.9°
C2	C1	C6	120.3°	120.2°
C2	C1	O	128.7°	119.9°
C1	C2	H1	120.2°	119.9°
C14	C13	C15	59.0°	60.0°
C13	C14	C15	60.5°	60.0°
C14	C13	H5	116.2°	117.5°
C13	C14	H6	119.9°	117.5°
C13	C14	H7	119.9°	117.5°
C13	C15	C14	60.5°	60.0°
C15	C13	H5	116.1°	117.5°
C13	C15	H8	119.9°	117.5°
C13	C15	H9	119.9°	117.5°
C6	C1	O	111.0°	119.9°
C1	C6	H12	120.1°	120.0°
C1	O	C	117.6°	117.0°
C15	C14	H6	119.9°	117.5°
C15	C14	H7	119.9°	117.4°
C14	C15	H8	119.9°	117.6°
C14	C15	H9	119.9°	117.5°
O	C	H13	109.5°	109.5°
O	C	H14	109.5°	109.5°
O	C	H15	109.5°	109.5°
H6	C14	H7	109.5°	115.6°
H8	C15	H9	109.5°	115.5°
H13	C	H14	109.4°	109.5°
H13	C	H15	109.4°	109.5°
H14	C	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	N	H4	180.0°	179.6°
C11	C10	C9	H3	180.0°	180.0°
C10	C11	N	O1	180.0°	179.9°
C10	C11	N	C7	0.1°	0.7°
C11	C10	C9	N1	179.9°	180.0°
C11	C10	C9	C8	0.3°	0.0°
N	C11	C10	C9	0.4°	0.4°
C11	N	O1	C7	179.9°	179.4°
C11	N	C7	C8	0.6°	0.6°
C11	N	C7	C4	179.7°	179.6°
N	C11	C10	H3	179.6°	179.7°
C11	N	O1	H10	180.0°	0.0°
C10	C9	N1	C8	179.9°	180.0°
C10	C9	N1	N2	179.8°	180.0°
C10	C9	C8	C7	0.3°	0.1°
C10	C9	C8	C12	179.8°	180.0°
C9	C10	C11	H4	179.7°	180.0°
O1	N	C7	C8	179.5°	180.0°
O1	N	C7	C4	0.4°	0.2°
O1	N	C11	H4	0.0°	0.3°
N	C7	C8	C9	0.7°	0.2°
N	C7	C8	C4	179.1°	179.8°
N	C7	C8	C12	179.9°	179.7°
N	C7	C4	C3	101.3°	52.5°
N	C7	C4	C5	79.0°	127.6°
C7	N	C11	H4	179.9°	179.7°
C7	N	O1	H10	0.1°	179.4°
N1	C9	C8	C7	179.7°	180.0°
N1	C9	C8	C12	0.1°	0.0°
C9	N1	N2	C12	0.1°	0.0°
N1	C9	C10	H3	0.2°	0.0°
C8	C9	N1	N2	0.1°	0.0°
C9	C8	C7	C12	179.4°	180.0°
C9	C8	C7	C4	179.7°	180.0°
C9	C8	C12	N2	0.0°	0.0°
C9	C8	C12	C13	179.9°	180.0°
C8	C9	C10	H3	179.7°	180.0°
N1	N2	C12	C8	0.0°	0.0°
N1	N2	C12	C13	179.9°	180.0°
C7	C8	C12	N2	179.5°	180.0°
C8	C7	C4	C3	79.7°	127.8°
C8	C7	C4	C5	100.1°	52.2°
C7	C8	C12	C13	0.4°	0.0°
C4	C7	C8	C12	0.8°	0.1°
C7	C4	C3	C5	179.8°	179.9°
C7	C4	C3	C2	179.8°	180.0°
C7	C4	C5	C6	179.9°	179.7°
C7	C4	C3	H2	0.2°	0.1°
C7	C4	C5	H11	0.1°	0.1°
C8	C12	N2	C13	179.9°	180.0°
C8	C12	C13	C14	161.3°	175.3°
C8	C12	C13	C15	130.6°	116.0°
C8	C12	C13	H5	15.4°	29.6°
N2	C12	C13	C14	18.6°	4.7°
N2	C12	C13	C15	49.6°	63.9°
N2	C12	C13	H5	164.5°	150.4°
C4	C3	C2	H2	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.2°
C4	C3	C2	C1	0.2°	0.0°
C4	C3	C2	H1	179.8°	180.0°
C3	C4	C5	H11	179.9°	180.0°
C5	C4	C3	C2	0.1°	0.1°
C4	C5	C6	H11	180.0°	179.8°
C4	C5	C6	C1	0.3°	0.5°
C5	C4	C3	H2	179.9°	180.0°
C4	C5	C6	H12	179.7°	180.0°
C12	C13	C14	C15	107.9°	107.5°
C12	C13	C14	H5	146.0°	145.0°
C12	C13	C15	H5	146.0°	145.0°
C12	C13	C14	H6	1.7°	0.0°
C12	C13	C14	H7	142.5°	145.0°
C12	C13	C15	H8	142.6°	145.0°
C12	C13	C15	H9	1.8°	0.0°
C3	C2	C1	H1	180.0°	180.0°
C3	C2	C1	C6	0.4°	0.3°
C3	C2	C1	O	179.8°	180.0°
C5	C6	C1	C2	0.5°	0.6°
C5	C6	C1	H12	180.0°	179.5°
C5	C6	C1	O	180.0°	179.7°
C2	C1	C6	O	179.5°	179.7°
C2	C1	O	C	32.0°	180.0°
C1	C2	C3	H2	179.8°	179.9°
C2	C1	C6	H12	179.5°	180.0°
C14	C13	C15	H5	106.1°	107.5°
C13	C14	C15	H6	109.6°	107.5°
C13	C14	C15	H7	109.6°	107.5°
C13	C14	H6	H7	144.5°	145.7°
C14	C13	C15	H8	109.6°	107.6°
C14	C13	C15	H9	109.6°	107.5°
C13	C15	H8	H9	144.5°	145.6°
C6	C1	O	C	148.5°	0.3°
C6	C1	C2	H1	179.6°	179.7°
C1	C6	C5	H11	179.7°	179.6°
O	C1	C2	H1	0.2°	0.0°
O	C1	C6	H12	0.0°	0.3°
C1	O	C	H13	180.0°	60.0°
C1	O	C	H14	60.0°	180.0°
C1	O	C	H15	60.0°	60.1°
C15	C14	H6	H7	144.4°	145.6°
C14	C15	H8	H9	144.5°	145.8°
O	C	H13	H14	120.0°	120.0°
O	C	H13	H15	120.0°	120.0°
O	C	H14	H15	120.0°	120.0°
H1	C2	C3	H2	0.2°	0.1°
H3	C10	C11	H4	0.3°	0.0°
H5	C13	C14	H6	144.3°	145.0°
H5	C13	C14	H7	3.5°	0.0°
H5	C13	C15	H8	3.4°	0.0°
H5	C13	C15	H9	144.2°	145.0°
H6	C14	C15	H8	140.8°	145.0°
H6	C14	C15	H9	0.0°	0.1°
H7	C14	C15	H8	0.0°	0.1°
H7	C14	C15	H9	140.8°	145.0°
H11	C5	C6	H12	0.3°	0.2°
H13	C	H14	H15	119.9°	120.0°

Release date:	2024-03-20
Definition date:	2023-08-30
Last modified:	2024-03-15
Release status:	REL
Processing site:	PDBE
Derived from:	8QDZ