LS0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C3	doub	1.32Å	1.34Å	Aromatic
N	C4	sing	1.32Å	1.34Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.39Å	1.40Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C5	C1	sing	1.39Å	1.41Å	Aromatic
C5	N1	sing	1.40Å	1.41Å
C1	C	sing	1.51Å	1.51Å
N1	C6	sing	1.35Å	1.35Å
F	C13	sing	1.35Å	1.36Å
O	C6	doub	1.21Å	1.23Å
C6	C7	sing	1.51Å	1.52Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.39Å	1.38Å	Aromatic
C14	C15	sing	1.39Å	1.39Å	Aromatic
C7	N2	sing	1.46Å	1.46Å
C12	C11	doub	1.37Å	1.38Å	Aromatic
C15	N2	sing	1.38Å	1.38Å	Aromatic
C15	C10	doub	1.41Å	1.41Å	Aromatic
N2	C8	sing	1.37Å	1.38Å	Aromatic
C11	C10	sing	1.40Å	1.40Å	Aromatic
C10	C9	sing	1.46Å	1.43Å	Aromatic
C8	C9	doub	1.34Å	1.35Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C2	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
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)
C3	N	C4	117.4°	121.8°
N	C3	C2	123.5°	120.9°
N	C3	H14	118.2°	119.5°
N	C4	C5	123.3°	120.6°
N	C4	H2	118.3°	119.7°
C3	C2	C1	119.6°	119.3°
C3	C2	H7	120.2°	120.4°
C2	C3	H14	118.2°	119.5°
C4	C5	C1	118.7°	119.1°
C4	C5	N1	121.5°	120.4°
C5	C4	H2	118.3°	119.7°
C2	C1	C5	117.3°	118.4°
C2	C1	C	120.6°	120.8°
C1	C2	H7	120.2°	120.4°
C1	C5	N1	119.8°	120.5°
C5	C1	C	122.0°	120.8°
C5	N1	C6	125.1°	120.0°
C5	N1	H1	117.5°	120.0°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.5°	109.5°
N1	C6	O	124.0°	120.0°
N1	C6	C7	114.1°	120.0°
C6	N1	H1	117.4°	119.9°
F	C13	C14	117.8°	119.7°
F	C13	C12	118.3°	119.7°
O	C6	C7	121.8°	120.0°
C6	C7	N2	110.4°	109.5°
C6	C7	H3	109.2°	109.4°
C6	C7	H4	109.2°	109.5°
C14	C13	C12	123.9°	120.6°
C13	C14	C15	116.7°	119.8°
C13	C14	H10	121.7°	120.1°
C13	C12	C11	118.5°	120.5°
C13	C12	H9	120.8°	119.8°
C14	C15	N2	130.5°	133.5°
C14	C15	C10	121.9°	119.4°
C15	C14	H10	121.6°	120.1°
C7	N2	C15	126.2°	125.0°
C7	N2	C8	125.4°	125.1°
N2	C7	H3	109.3°	109.5°
N2	C7	H4	109.3°	109.5°
C12	C11	C10	120.5°	119.8°
C12	C11	H6	119.7°	120.1°
C11	C12	H9	120.7°	119.7°
N2	C15	C10	107.6°	107.1°
C15	N2	C8	108.2°	109.9°
C15	C10	C11	118.5°	120.0°
C15	C10	C9	106.7°	106.0°
N2	C8	C9	110.4°	109.9°
N2	C8	H5	124.8°	125.0°
C11	C10	C9	134.7°	134.0°
C10	C11	H6	119.8°	120.1°
C10	C9	C8	107.0°	107.1°
C10	C9	H8	126.5°	126.5°
C9	C8	H5	124.8°	125.1°
C8	C9	H8	126.5°	126.5°
H3	C7	H4	109.5°	109.5°
H11	C	H12	109.4°	109.5°
H11	C	H13	109.5°	109.5°
H12	C	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C3	C2	H14	180.0°	179.4°
C3	N	C4	C5	0.2°	0.1°
N	C3	C2	C1	0.4°	0.8°
C3	N	C4	H2	179.8°	179.7°
N	C3	C2	H7	179.6°	179.7°
C4	N	C3	C2	0.1°	0.6°
N	C4	C5	H2	180.0°	179.8°
N	C4	C5	C1	0.1°	0.2°
N	C4	C5	N1	179.0°	179.8°
C4	N	C3	H14	180.0°	180.0°
C3	C2	C1	H7	180.0°	179.5°
C3	C2	C1	C5	0.7°	0.5°
C3	C2	C1	C	177.0°	179.5°
C4	C5	C1	C2	0.6°	0.0°
C4	C5	C1	N1	178.9°	180.0°
C4	C5	C1	C	177.1°	180.0°
C4	C5	N1	C6	75.9°	24.8°
C4	C5	N1	H1	104.1°	155.0°
C2	C1	C5	C	177.7°	180.0°
C2	C1	C5	N1	179.5°	180.0°
C2	C1	C	H11	91.2°	90.0°
C2	C1	C	H12	148.9°	30.0°
C2	C1	C	H13	28.9°	150.0°
C1	C2	C3	H14	179.5°	179.8°
C1	C5	N1	C6	102.9°	155.2°
C1	C5	N1	H1	77.0°	25.1°
C1	C5	C4	H2	179.9°	180.0°
C5	C1	C2	H7	179.3°	180.0°
C5	C1	C	H11	91.2°	90.0°
C5	C1	C	H12	28.8°	150.0°
C5	C1	C	H13	148.8°	30.0°
N1	C5	C1	C	1.8°	0.0°
C5	N1	C6	H1	180.0°	179.8°
C5	N1	C6	O	0.3°	5.6°
C5	N1	C6	C7	178.3°	174.4°
N1	C5	C4	H2	1.0°	0.0°
C	C1	C2	H7	3.0°	0.0°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
N1	C6	O	C7	177.9°	180.0°
N1	C6	C7	N2	162.3°	180.0°
N1	C6	C7	H3	42.1°	60.1°
N1	C6	C7	H4	77.6°	59.9°
F	C13	C14	C12	177.9°	178.9°
F	C13	C14	C15	177.2°	180.0°
F	C13	C12	C11	175.2°	179.7°
F	C13	C12	H9	4.7°	1.1°
F	C13	C14	H10	2.8°	1.1°
O	C6	C7	N2	15.8°	0.0°
O	C6	N1	H1	179.7°	174.6°
O	C6	C7	H3	136.0°	120.0°
O	C6	C7	H4	104.3°	120.0°
C6	C7	N2	H3	120.1°	119.9°
C6	C7	N2	H4	120.1°	120.0°
C6	C7	N2	C15	83.5°	85.0°
C6	C7	N2	C8	90.3°	95.0°
C7	C6	N1	H1	1.6°	5.4°
C6	C7	H3	H4	119.5°	120.0°
C13	C14	C15	H10	180.0°	179.0°
C14	C13	C12	C11	2.7°	0.8°
C13	C14	C15	N2	175.5°	179.1°
C13	C14	C15	C10	1.9°	0.6°
C14	C13	C12	H9	177.4°	180.0°
C12	C13	C14	C15	0.8°	1.1°
C13	C12	C11	H9	180.0°	179.2°
C13	C12	C11	C10	2.0°	0.0°
C13	C12	C11	H6	178.1°	180.0°
C12	C13	C14	H10	179.3°	179.9°
C14	C15	N2	C7	4.5°	0.1°
C14	C15	N2	C10	177.7°	179.7°
C14	C15	N2	C8	179.2°	180.0°
C14	C15	C10	C11	2.5°	0.2°
C14	C15	C10	C9	179.4°	179.8°
C7	N2	C15	C8	174.6°	180.0°
C7	N2	C15	C10	173.2°	179.7°
C7	N2	C8	C9	173.8°	180.0°
N2	C7	H3	H4	119.6°	120.0°
C7	N2	C8	H5	6.2°	0.3°
C12	C11	C10	C15	0.5°	0.5°
C12	C11	C10	H6	180.0°	180.0°
C12	C11	C10	C9	176.4°	180.0°
N2	C15	C10	C11	175.4°	179.9°
N2	C15	C10	C9	1.5°	0.5°
C15	N2	C8	C9	0.8°	0.0°
C15	N2	C7	H3	156.4°	34.9°
C15	N2	C7	H4	36.7°	155.0°
C15	N2	C8	H5	179.1°	179.7°
N2	C15	C14	H10	4.5°	0.1°
C10	C15	N2	C8	1.5°	0.3°
C15	C10	C11	C9	175.8°	179.5°
C15	C10	C9	C8	1.0°	0.5°
C15	C10	C11	H6	179.5°	179.5°
C15	C10	C9	H8	179.0°	179.5°
C10	C15	C14	H10	178.1°	179.5°
N2	C8	C9	C10	0.1°	0.3°
N2	C8	C9	H5	180.0°	179.7°
C8	N2	C7	H3	29.9°	145.0°
C8	N2	C7	H4	149.6°	25.0°
N2	C8	C9	H8	179.9°	179.7°
C11	C10	C9	C8	175.2°	180.0°
C11	C10	C9	H8	4.8°	0.0°
C10	C11	C12	H9	178.1°	179.2°
C10	C9	C8	H8	180.0°	180.0°
C10	C9	C8	H5	179.9°	180.0°
C9	C10	C11	H6	3.6°	0.0°
H5	C8	C9	H8	0.1°	0.0°
H6	C11	C12	H9	1.9°	0.8°
H7	C2	C3	H14	0.5°	0.3°
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:	7GCS