O0R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C9	doub	1.32Å	1.34Å	Aromatic
N1	C8	sing	1.32Å	1.34Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.39Å	1.39Å	Aromatic
C10	C11	doub	1.39Å	1.39Å	Aromatic
C7	C11	sing	1.39Å	1.40Å	Aromatic
C7	N	sing	1.40Å	1.41Å
C11	C12	sing	1.51Å	1.52Å
N	C6	sing	1.35Å	1.35Å
CL	C	sing	1.74Å	1.74Å
O	C6	doub	1.21Å	1.22Å
C6	C5	sing	1.51Å	1.51Å
C12	C14	sing	1.53Å	1.51Å
C12	C13	sing	1.53Å	1.51Å
C15	C	doub	1.38Å	1.38Å	Aromatic
C15	C4	sing	1.38Å	1.39Å	Aromatic
C	C1	sing	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.53Å	1.49Å
C5	C4	sing	1.51Å	1.51Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C1	C2	doub	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C2	H9	sing	1.08Å	1.08Å
C1	H10	sing	1.08Å	1.08Å
N	H11	sing	0.97Å	1.00Å
C12	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	N1	C8	117.3°	121.8°
N1	C9	C10	123.5°	121.0°
N1	C9	H15	118.2°	119.5°
N1	C8	C7	123.7°	120.7°
N1	C8	H3	118.2°	119.6°
C9	C10	C11	119.3°	119.2°
C9	C10	H4	120.3°	120.4°
C10	C9	H15	118.2°	119.5°
C8	C7	C11	118.2°	119.0°
C8	C7	N	121.7°	120.5°
C7	C8	H3	118.1°	119.7°
C10	C11	C7	118.0°	118.3°
C10	C11	C12	119.8°	120.8°
C11	C10	H4	120.4°	120.3°
C11	C7	N	120.0°	120.5°
C7	C11	C12	122.2°	120.8°
C7	N	C6	123.8°	120.0°
C7	N	H11	118.1°	120.0°
C11	C12	C14	120.4°	117.5°
C11	C12	C13	119.6°	117.5°
C11	C12	H12	115.3°	115.6°
N	C6	O	123.3°	120.0°
N	C6	C5	115.1°	120.0°
C6	N	H11	118.1°	120.0°
CL	C	C15	118.9°	120.0°
CL	C	C1	119.4°	120.1°
O	C6	C5	121.6°	120.0°
C6	C5	C4	110.0°	109.5°
C6	C5	H1	109.3°	109.5°
C6	C5	H2	109.3°	109.4°
C14	C12	C13	59.0°	60.0°
C12	C14	C13	60.5°	60.0°
C14	C12	H12	115.5°	117.5°
C12	C14	H13	119.9°	117.5°
C12	C14	H14	119.9°	117.5°
C12	C13	C14	60.5°	60.0°
C12	C13	H5	119.9°	117.6°
C12	C13	H6	119.9°	117.4°
C13	C12	H12	115.5°	117.5°
C	C15	C4	119.6°	120.0°
C15	C	C1	121.8°	119.9°
C	C15	H7	120.2°	120.0°
C15	C4	C5	120.1°	120.0°
C15	C4	C3	119.0°	120.0°
C4	C15	H7	120.2°	119.9°
C	C1	C2	118.6°	120.0°
C	C1	H10	120.7°	120.0°
C14	C13	H5	119.9°	117.5°
C14	C13	H6	119.9°	117.4°
C13	C14	H13	119.9°	117.4°
C13	C14	H14	119.9°	117.6°
C5	C4	C3	120.9°	120.0°
C4	C5	H1	109.4°	109.5°
C4	C5	H2	109.3°	109.5°
C4	C3	C2	120.8°	120.0°
C4	C3	H8	119.6°	120.0°
C1	C2	C3	120.2°	120.0°
C1	C2	H9	119.9°	120.0°
C2	C1	H10	120.7°	120.0°
C2	C3	H8	119.6°	119.9°
C3	C2	H9	119.9°	120.0°
H1	C5	H2	109.5°	109.5°
H5	C13	H6	109.5°	115.6°
H13	C14	H14	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C9	C10	H15	180.0°	180.0°
C9	N1	C8	C7	0.9°	0.1°
N1	C9	C10	C11	0.4°	0.0°
C9	N1	C8	H3	179.1°	180.0°
N1	C9	C10	H4	179.6°	179.9°
C8	N1	C9	C10	0.5°	0.0°
N1	C8	C7	H3	180.0°	179.9°
N1	C8	C7	C11	0.4°	0.1°
N1	C8	C7	N	176.9°	179.9°
C8	N1	C9	H15	179.5°	179.9°
C9	C10	C11	H4	180.0°	179.9°
C9	C10	C11	C7	0.9°	0.0°
C9	C10	C11	C12	176.5°	179.9°
C8	C7	C11	C10	0.5°	0.0°
C8	C7	C11	N	177.4°	180.0°
C8	C7	C11	C12	176.8°	180.0°
C8	C7	N	C6	89.2°	34.5°
C8	C7	N	H11	90.8°	145.5°
C10	C11	C7	C12	177.3°	179.9°
C10	C11	C7	N	177.9°	180.0°
C10	C11	C12	C14	5.7°	59.9°
C10	C11	C12	C13	75.1°	8.7°
C10	C11	C12	H12	140.3°	154.4°
C11	C10	C9	H15	179.6°	180.0°
C11	C7	N	C6	88.1°	145.4°
C7	C11	C12	C14	171.5°	120.0°
C7	C11	C12	C13	102.2°	171.4°
C11	C7	C8	H3	179.6°	180.0°
C7	C11	C10	H4	179.1°	179.9°
C11	C7	N	H11	92.0°	34.5°
C7	C11	C12	H12	42.5°	25.7°
N	C7	C11	C12	0.5°	0.1°
C7	N	C6	H11	180.0°	180.0°
C7	N	C6	O	12.7°	4.4°
C7	N	C6	C5	165.9°	175.6°
N	C7	C8	H3	3.1°	0.0°
C11	C12	C14	C13	108.4°	107.5°
C11	C12	C14	H12	145.9°	145.0°
C11	C12	C13	H12	144.6°	145.1°
C12	C11	C10	H4	3.5°	0.1°
C11	C12	C13	H5	140.6°	145.0°
C11	C12	C13	H6	0.1°	0.1°
C11	C12	C14	H13	1.2°	145.1°
C11	C12	C14	H14	142.0°	0.0°
N	C6	O	C5	178.5°	180.0°
N	C6	C5	C4	148.4°	180.0°
N	C6	C5	H1	91.5°	60.0°
N	C6	C5	H2	28.4°	60.0°
CL	C	C15	C1	179.1°	179.5°
CL	C	C15	C4	179.0°	180.0°
CL	C	C1	C2	179.8°	179.8°
CL	C	C15	H7	1.0°	0.0°
CL	C	C1	H10	0.2°	0.3°
O	C6	C5	C4	32.9°	0.0°
O	C6	C5	H1	87.2°	120.0°
O	C6	C5	H2	153.0°	120.0°
O	C6	N	H11	167.3°	175.6°
C6	C5	C4	C15	75.1°	89.7°
C6	C5	C4	H1	120.1°	120.1°
C6	C5	C4	H2	120.1°	119.9°
C6	C5	C4	C3	100.9°	90.0°
C6	C5	H1	H2	119.7°	120.0°
C5	C6	N	H11	14.1°	4.4°
C14	C12	C13	H12	105.7°	107.5°
C12	C14	C13	H13	109.6°	107.5°
C12	C14	C13	H14	109.6°	107.4°
C14	C12	C13	H5	109.6°	107.5°
C14	C12	C13	H6	109.6°	107.4°
C12	C14	H13	H14	144.5°	145.7°
C12	C13	H5	H6	144.5°	145.7°
C	C15	C4	H7	180.0°	180.0°
C	C15	C4	C5	174.7°	179.7°
C	C15	C4	C3	1.4°	0.0°
C15	C	C1	C2	1.1°	0.7°
C15	C	C1	H10	178.9°	179.8°
C4	C15	C	C1	0.1°	0.5°
C15	C4	C5	C3	176.0°	179.7°
C15	C4	C3	C2	1.5°	0.2°
C15	C4	C5	H1	164.9°	30.3°
C15	C4	C5	H2	45.0°	150.3°
C15	C4	C3	H8	178.5°	179.7°
C	C1	C2	H10	180.0°	179.5°
C	C1	C2	C3	1.0°	0.5°
C1	C	C15	H7	179.9°	179.5°
C	C1	C2	H9	179.0°	179.5°
C14	C13	H5	H6	144.5°	145.6°
C13	C14	H13	H14	144.4°	145.8°
C5	C4	C3	C2	174.6°	179.9°
C4	C5	H1	H2	119.8°	120.0°
C5	C4	C15	H7	5.3°	0.3°
C5	C4	C3	H8	5.4°	0.0°
C4	C3	C2	C1	0.3°	0.0°
C4	C3	C2	H8	180.0°	180.0°
C3	C4	C5	H1	19.1°	150.0°
C3	C4	C5	H2	139.0°	30.0°
C3	C4	C15	H7	178.6°	180.0°
C4	C3	C2	H9	179.7°	180.0°
C1	C2	C3	H9	180.0°	180.0°
C1	C2	C3	H8	179.7°	180.0°
C3	C2	C1	H10	179.0°	180.0°
H4	C10	C9	H15	0.5°	0.0°
H5	C13	C12	H12	3.9°	0.0°
H5	C13	C14	H13	140.8°	0.1°
H5	C13	C14	H14	0.0°	145.0°
H6	C13	C12	H12	144.7°	145.1°
H6	C13	C14	H13	0.0°	145.1°
H6	C13	C14	H14	140.8°	0.1°
H8	C3	C2	H9	0.3°	0.0°
H9	C2	C1	H10	1.0°	0.0°
H12	C12	C14	H13	144.7°	0.1°
H12	C12	C14	H14	3.9°	145.0°

Release date:	2023-11-08
Definition date:	2023-08-16
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GF1