W0G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C10	sing	1.35Å	1.34Å
C9	C10	doub	1.38Å	1.37Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C10	C5	sing	1.39Å	1.40Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
C3	N1	sing	1.47Å	1.47Å
C3	C2	sing	1.54Å	1.52Å
C5	N1	sing	1.40Å	1.44Å
C5	C6	doub	1.39Å	1.39Å	Aromatic
N1	C4	sing	1.34Å	1.37Å
C7	C6	sing	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.55Å	1.54Å
C4	C1	sing	1.51Å	1.52Å
C4	O	doub	1.21Å	1.21Å
C1	N	sing	1.47Å	1.47Å
N	C	sing	1.47Å	1.46Å
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
N	H10	sing	1.01Å	1.00Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C10	C9	118.6°	120.1°
F	C10	C5	118.5°	120.1°
C10	C9	C8	118.4°	120.0°
C9	C10	C5	122.7°	119.9°
C10	C9	H4	120.8°	119.9°
C9	C8	C7	120.4°	120.2°
C9	C8	H3	119.8°	119.9°
C8	C9	H4	120.8°	120.0°
C10	C5	N1	121.8°	120.1°
C10	C5	C6	117.8°	119.9°
C8	C7	C6	120.7°	120.1°
C8	C7	H2	119.6°	119.9°
C7	C8	H3	119.8°	119.9°
N1	C3	C2	102.6°	105.5°
C3	N1	C5	121.3°	124.4°
C3	N1	C4	112.7°	111.3°
N1	C3	H5	111.1°	110.2°
N1	C3	H6	111.2°	110.2°
C3	C2	C1	104.8°	101.7°
C2	C3	H5	111.2°	110.3°
C2	C3	H6	111.1°	110.3°
C3	C2	H7	110.6°	111.0°
C3	C2	H8	110.6°	110.9°
N1	C5	C6	120.3°	120.1°
C5	N1	C4	125.9°	124.3°
C5	C6	C7	119.9°	119.9°
C5	C6	H1	120.1°	120.0°
N1	C4	C1	108.2°	110.1°
N1	C4	O	125.7°	125.0°
C7	C6	H1	120.0°	120.1°
C6	C7	H2	119.7°	120.0°
C2	C1	C4	103.5°	104.1°
C2	C1	N	114.9°	110.1°
C1	C2	H7	110.6°	110.8°
C1	C2	H8	110.6°	111.2°
C2	C1	H9	108.6°	110.9°
C1	C4	O	126.1°	124.9°
C4	C1	N	111.2°	110.5°
C4	C1	H9	108.8°	110.5°
C1	N	C	118.0°	111.0°
N	C1	H9	109.5°	110.5°
C1	N	H10	107.3°	111.0°
C	N	H10	107.3°	111.0°
N	C	H12	109.5°	109.5°
N	C	H13	109.5°	109.5°
N	C	H14	109.5°	109.4°
H5	C3	H6	109.5°	110.2°
H7	C2	H8	109.5°	110.9°
H12	C	H13	109.4°	109.5°
H12	C	H14	109.5°	109.4°
H13	C	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C10	C9	C5	176.3°	179.6°
F	C10	C9	C8	175.2°	179.8°
F	C10	C5	N1	2.3°	0.1°
F	C10	C5	C6	174.7°	179.9°
F	C10	C9	H4	4.7°	0.3°
C10	C9	C8	H4	180.0°	179.4°
C10	C9	C8	C7	0.1°	0.3°
C9	C10	C5	N1	178.5°	179.7°
C9	C10	C5	C6	1.6°	0.5°
C10	C9	C8	H3	179.9°	179.7°
C8	C9	C10	C5	1.0°	0.6°
C9	C8	C7	H3	180.0°	180.0°
C9	C8	C7	C6	0.6°	0.0°
C9	C8	C7	H2	179.4°	180.0°
C10	C5	N1	C3	78.6°	90.0°
C10	C5	N1	C6	176.8°	179.8°
C10	C5	N1	C4	103.5°	90.3°
C10	C5	C6	C7	1.1°	0.2°
C10	C5	C6	H1	178.9°	179.8°
C5	C10	C9	H4	179.0°	180.0°
C8	C7	C6	C5	0.0°	0.1°
C8	C7	C6	H2	180.0°	179.9°
C8	C7	C6	H1	180.0°	180.0°
C7	C8	C9	H4	179.9°	179.8°
N1	C3	C2	H5	118.9°	119.0°
N1	C3	C2	H6	118.9°	119.0°
C3	N1	C5	C4	178.0°	179.7°
C3	N1	C5	C6	98.3°	89.8°
N1	C3	C2	C1	28.2°	25.6°
C3	N1	C4	C1	7.6°	0.1°
C3	N1	C4	O	172.9°	179.8°
N1	C3	H5	H6	123.2°	121.9°
N1	C3	C2	H7	147.5°	143.6°
N1	C3	C2	H8	91.0°	92.7°
C2	C3	N1	C5	155.3°	162.7°
C2	C3	N1	C4	23.0°	17.0°
C3	C2	C1	H7	119.2°	118.0°
C3	C2	C1	H8	119.3°	118.1°
C3	C2	C1	C4	24.3°	25.2°
C3	C2	C1	N	145.8°	143.6°
C2	C3	H5	H6	123.2°	122.0°
C3	C2	H7	H8	122.2°	123.8°
C3	C2	C1	H9	91.2°	93.7°
N1	C5	C6	C7	178.0°	180.0°
C5	N1	C4	C1	170.5°	179.6°
C5	N1	C4	O	9.0°	0.4°
N1	C5	C6	H1	2.0°	0.0°
C5	N1	C3	H5	85.8°	78.3°
C5	N1	C3	H6	36.4°	43.7°
C6	C5	N1	C4	79.7°	89.9°
C5	C6	C7	H1	180.0°	179.9°
C5	C6	C7	H2	180.0°	180.0°
N1	C4	C1	C2	10.9°	16.7°
N1	C4	C1	O	179.4°	180.0°
N1	C4	C1	N	134.9°	134.9°
C4	N1	C3	H5	96.0°	102.0°
C4	N1	C3	H6	141.8°	136.1°
N1	C4	C1	H9	104.4°	102.4°
C6	C7	C8	H3	179.4°	180.0°
C2	C1	C4	N	124.0°	118.2°
C2	C1	C4	H9	115.3°	119.1°
C2	C1	C4	O	168.5°	163.4°
C2	C1	N	H9	122.5°	122.8°
C2	C1	N	C	94.2°	159.1°
C1	C2	C3	H5	90.6°	93.4°
C1	C2	C3	H6	147.1°	144.6°
C1	C2	H7	H8	122.2°	124.1°
C2	C1	N	H10	27.0°	35.1°
C4	C1	N	H9	120.3°	122.6°
C4	C1	N	C	148.6°	86.4°
C4	C1	C2	H7	143.5°	143.2°
C4	C1	C2	H8	95.0°	93.0°
C4	C1	N	H10	90.2°	149.6°
O	C4	C1	N	44.6°	45.1°
O	C4	C1	H9	76.1°	77.5°
C1	N	C	H10	121.2°	124.0°
N	C1	C2	H7	95.0°	98.4°
N	C1	C2	H8	26.5°	25.5°
C1	N	C	H12	180.0°	179.9°
C1	N	C	H13	60.0°	60.0°
C1	N	C	H14	60.0°	60.0°
C	N	C1	H9	28.3°	36.2°
N	C	H12	H13	120.0°	120.1°
N	C	H12	H14	120.0°	119.9°
N	C	H13	H14	120.0°	119.9°
H1	C6	C7	H2	0.0°	0.0°
H2	C7	C8	H3	0.6°	0.0°
H3	C8	C9	H4	0.1°	0.3°
H5	C3	C2	H7	28.6°	24.5°
H5	C3	C2	H8	150.1°	148.3°
H6	C3	C2	H7	93.6°	97.4°
H6	C3	C2	H8	27.9°	26.3°
H7	C2	C1	H9	28.0°	24.3°
H8	C2	C1	H9	149.5°	148.1°
H9	C1	N	H10	149.5°	87.8°
H10	N	C	H12	58.8°	56.0°
H10	N	C	H13	178.8°	176.0°
H10	N	C	H14	61.2°	64.0°
H12	C	H13	H14	120.0°	120.0°

Release date:	2021-01-13
Definition date:	2020-09-24
Last modified:	2021-01-08
Release status:	REL
Processing site:	RCSB
Derived from:	5RQI