LR0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C4	doub	1.32Å	1.34Å	Aromatic
N1	C5	sing	1.32Å	1.34Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C6	C2	sing	1.40Å	1.40Å	Aromatic
C6	N2	sing	1.40Å	1.41Å
C2	N	sing	1.40Å	1.42Å
N2	C7	sing	1.35Å	1.35Å
O1	C7	doub	1.21Å	1.23Å
O	C1	doub	1.21Å	1.23Å
N	C1	sing	1.35Å	1.36Å
C7	C8	sing	1.51Å	1.53Å
F	C13	sing	1.35Å	1.36Å
C1	C	sing	1.51Å	1.50Å
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C15	C8	sing	1.52Å	1.52Å
C15	C10	doub	1.39Å	1.37Å	Aromatic
C8	C9	sing	1.53Å	1.57Å
C12	C11	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.52Å	1.52Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
N	H4	sing	0.97Å	1.00Å
N2	H5	sing	0.97Å	1.00Å
C11	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N1	C5	117.7°	121.9°
N1	C4	C3	124.1°	121.0°
N1	C4	H1	117.9°	119.5°
N1	C5	C6	123.0°	120.8°
N1	C5	H2	118.5°	119.6°
C4	C3	C2	117.9°	119.1°
C3	C4	H1	117.9°	119.5°
C4	C3	H14	121.1°	120.5°
C5	C6	C2	118.3°	118.9°
C5	C6	N2	120.9°	120.6°
C6	C5	H2	118.5°	119.6°
C3	C2	C6	118.9°	118.3°
C3	C2	N	121.9°	120.8°
C2	C3	H14	121.1°	120.4°
C2	C6	N2	120.5°	120.5°
C6	C2	N	119.1°	120.9°
C6	N2	C7	124.2°	120.0°
C6	N2	H5	117.9°	120.0°
C2	N	C1	129.9°	120.1°
C2	N	H4	115.1°	119.9°
N2	C7	O1	123.4°	120.0°
N2	C7	C8	114.4°	120.0°
C7	N2	H5	117.9°	120.0°
O1	C7	C8	122.2°	120.0°
O	C1	N	123.2°	120.0°
O	C1	C	121.8°	120.0°
N	C1	C	114.9°	120.0°
C1	N	H4	115.0°	120.0°
C7	C8	C15	112.6°	113.6°
C7	C8	C9	115.6°	113.6°
C7	C8	H3	113.6°	112.8°
F	C13	C14	118.0°	120.0°
F	C13	C12	118.5°	120.1°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.4°	109.5°
C1	C	H13	109.5°	109.5°
C13	C14	C15	116.2°	120.3°
C14	C13	C12	123.4°	119.9°
C13	C14	H10	121.9°	119.9°
C14	C15	C8	143.1°	147.5°
C14	C15	C10	122.7°	119.7°
C15	C14	H10	121.9°	119.9°
C13	C12	C11	118.3°	119.9°
C13	C12	H9	120.9°	120.0°
C8	C15	C10	93.9°	92.7°
C15	C8	C9	85.6°	87.2°
C15	C8	H3	113.7°	113.6°
C15	C10	C11	119.5°	119.8°
C15	C10	C9	93.4°	92.7°
C8	C9	C10	86.3°	87.3°
C9	C8	H3	112.9°	113.6°
C8	C9	H7	114.9°	113.6°
C8	C9	H8	114.9°	113.6°
C12	C11	C10	119.9°	120.4°
C12	C11	H6	120.0°	119.8°
C11	C12	H9	120.9°	120.1°
C11	C10	C9	147.1°	147.5°
C10	C11	H6	120.1°	119.8°
C10	C9	H7	114.9°	113.6°
C10	C9	H8	114.9°	113.6°
H7	C9	H8	109.5°	112.9°
H11	C	H12	109.4°	109.4°
H11	C	H13	109.5°	109.5°
H12	C	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C4	C3	H1	180.0°	179.9°
C4	N1	C5	C6	1.0°	0.0°
N1	C4	C3	C2	1.1°	0.0°
C4	N1	C5	H2	179.0°	179.9°
N1	C4	C3	H14	178.9°	180.0°
C5	N1	C4	C3	0.5°	0.0°
N1	C5	C6	H2	180.0°	180.0°
N1	C5	C6	C2	1.6°	0.0°
N1	C5	C6	N2	172.8°	180.0°
C5	N1	C4	H1	179.5°	179.9°
C4	C3	C2	H14	180.0°	180.0°
C4	C3	C2	C6	0.4°	0.0°
C4	C3	C2	N	176.4°	180.0°
C5	C6	C2	C3	0.9°	0.0°
C5	C6	C2	N2	174.5°	180.0°
C5	C6	C2	N	177.8°	180.0°
C5	C6	N2	C7	79.1°	24.7°
C5	C6	N2	H5	100.8°	155.2°
C3	C2	C6	N	176.9°	180.0°
C3	C2	C6	N2	173.6°	180.0°
C3	C2	N	C1	23.4°	24.6°
C2	C3	C4	H1	178.9°	179.9°
C3	C2	N	H4	156.6°	155.4°
C2	C6	N2	C7	95.2°	155.3°
C6	C2	N	C1	159.8°	155.4°
C2	C6	C5	H2	178.4°	180.0°
C6	C2	N	H4	20.2°	24.6°
C2	C6	N2	H5	84.8°	24.8°
C6	C2	C3	H14	179.6°	180.0°
N2	C6	C2	N	3.3°	0.0°
C6	N2	C7	H5	180.0°	179.9°
C6	N2	C7	O1	3.3°	5.7°
C6	N2	C7	C8	176.0°	174.4°
N2	C6	C5	H2	7.2°	0.0°
C2	N	C1	O	2.0°	5.5°
C2	N	C1	H4	180.0°	180.0°
C2	N	C1	C	177.9°	174.5°
N	C2	C3	H14	3.6°	0.0°
N2	C7	O1	C8	179.3°	179.9°
N2	C7	C8	C15	130.7°	82.4°
N2	C7	C8	C9	133.1°	180.0°
N2	C7	C8	H3	0.3°	48.8°
O1	C7	C8	C15	49.9°	97.7°
O1	C7	C8	C9	46.3°	0.1°
O1	C7	C8	H3	179.1°	131.1°
O1	C7	N2	H5	176.7°	174.5°
O	C1	N	C	179.9°	180.0°
O	C1	N	H4	178.0°	174.5°
O	C1	C	H11	0.0°	90.0°
O	C1	C	H12	120.0°	30.0°
O	C1	C	H13	120.0°	150.0°
N	C1	C	H11	179.8°	90.0°
N	C1	C	H12	59.9°	150.0°
N	C1	C	H13	60.1°	30.0°
C7	C8	C15	C14	63.6°	65.5°
C7	C8	C15	C9	115.9°	114.6°
C7	C8	C15	H3	131.0°	130.8°
C7	C8	C15	C10	109.0°	114.6°
C7	C8	C9	H3	133.1°	130.8°
C7	C8	C9	C10	106.8°	114.6°
C8	C7	N2	H5	4.0°	5.5°
C7	C8	C9	H7	9.0°	0.0°
C7	C8	C9	H8	137.4°	130.9°
F	C13	C14	C12	177.8°	179.9°
F	C13	C14	C15	177.8°	180.0°
F	C13	C12	C11	175.9°	180.0°
F	C13	C12	H9	4.1°	0.1°
F	C13	C14	H10	2.2°	0.1°
C	C1	N	H4	2.1°	5.5°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
C13	C14	C15	H10	180.0°	179.9°
C13	C14	C15	C8	169.0°	180.0°
C13	C14	C15	C10	2.2°	0.1°
C14	C13	C12	C11	1.9°	0.1°
C14	C13	C12	H9	178.1°	180.0°
C15	C14	C13	C12	0.1°	0.1°
C14	C15	C8	C10	172.6°	179.9°
C14	C15	C8	C9	179.5°	179.9°
C14	C15	C10	C11	2.3°	0.1°
C14	C15	C10	C9	178.2°	179.9°
C14	C15	C8	H3	67.4°	65.3°
C13	C12	C11	H9	180.0°	180.0°
C13	C12	C11	C10	1.7°	0.1°
C13	C12	C11	H6	178.3°	179.9°
C12	C13	C14	H10	179.9°	180.0°
C15	C8	C9	H3	113.9°	114.6°
C8	C15	C10	C11	172.4°	180.0°
C8	C15	C10	C9	7.1°	0.0°
C15	C8	C9	H7	122.0°	114.6°
C15	C8	C9	H8	109.6°	114.6°
C8	C15	C14	H10	11.0°	0.1°
C15	C10	C11	C12	0.3°	0.0°
C15	C10	C11	C9	179.1°	180.0°
C10	C15	C8	H3	120.0°	114.6°
C15	C10	C11	H6	179.7°	179.9°
C15	C10	C9	H7	122.7°	114.6°
C15	C10	C9	H8	108.9°	114.6°
C10	C15	C14	H10	177.8°	180.0°
C8	C9	C10	C11	172.3°	180.0°
C8	C9	C10	H7	115.8°	114.6°
C8	C9	C10	H8	115.8°	114.6°
C8	C9	H7	H8	131.1°	131.2°
C12	C11	C10	H6	180.0°	180.0°
C12	C11	C10	C9	179.3°	179.9°
C11	C10	C9	H7	56.5°	65.4°
C11	C10	C9	H8	71.9°	65.4°
C10	C11	C12	H9	178.3°	180.0°
C10	C9	C8	H3	120.1°	114.7°
C9	C10	C11	H6	0.6°	0.1°
C10	C9	H7	H8	131.0°	131.1°
H1	C4	C3	H14	1.1°	0.0°
H3	C8	C9	H7	124.1°	130.8°
H3	C8	C9	H8	4.3°	0.1°
H6	C11	C12	H9	1.7°	0.0°
H11	C	H12	H13	120.0°	120.0°

Release date:	2023-11-08
Definition date:	2023-08-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GCL