LQP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	N1	sing	1.47Å	1.47Å
C4	C5	sing	1.55Å	1.53Å
F2	C1	sing	1.40Å	1.33Å
C6	C5	sing	1.55Å	1.53Å
C6	C7	sing	1.54Å	1.50Å
C2	C3	sing	1.51Å	1.51Å
C2	O1	sing	1.43Å	1.42Å
C3	N1	sing	1.35Å	1.34Å
C3	O2	doub	1.21Å	1.23Å
N1	C10	sing	1.47Å	1.47Å
C5	C9	sing	1.56Å	1.55Å
C1	O1	sing	1.43Å	1.43Å
C1	F1	sing	1.40Å	1.33Å
C7	C8	sing	1.54Å	1.51Å
C10	C9	sing	1.54Å	1.53Å
C9	C8	sing	1.54Å	1.54Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C4	C5	103.7°	105.4°
C4	N1	C3	125.6°	125.6°
C4	N1	C10	108.9°	108.8°
N1	C4	H1	110.9°	110.2°
N1	C4	H2	110.9°	110.3°
C4	C5	C6	116.1°	108.4°
C4	C5	C9	105.9°	101.9°
C5	C4	H1	110.9°	110.2°
C5	C4	H2	110.9°	110.3°
C4	C5	H3	110.5°	113.7°
F2	C1	O1	113.4°	109.5°
F2	C1	F1	104.5°	109.5°
F2	C1	H12	109.9°	109.5°
C5	C6	C7	101.4°	104.9°
C6	C5	C9	103.2°	103.1°
C6	C5	H3	110.5°	114.4°
C5	C6	H4	111.4°	110.4°
C5	C6	H5	111.4°	110.3°
C6	C7	C8	102.5°	106.7°
C7	C6	H4	111.5°	110.4°
C7	C6	H5	111.5°	110.4°
C6	C7	H6	111.2°	110.0°
C6	C7	H7	111.2°	110.0°
C3	C2	O1	112.9°	109.5°
C2	C3	N1	118.0°	120.0°
C2	C3	O2	121.5°	120.0°
C3	C2	H13	108.6°	109.5°
C3	C2	H14	108.6°	109.5°
C2	O1	C1	116.0°	114.0°
O1	C2	H13	108.6°	109.5°
O1	C2	H14	108.6°	109.4°
N1	C3	O2	120.4°	120.0°
C3	N1	C10	125.2°	125.6°
N1	C10	C9	100.8°	107.7°
N1	C10	H10	111.6°	109.9°
N1	C10	H11	111.6°	109.8°
C5	C9	C10	104.0°	103.4°
C5	C9	C8	105.1°	104.6°
C9	C5	H3	110.2°	114.0°
C5	C9	H15	110.6°	112.8°
O1	C1	F1	110.7°	109.5°
O1	C1	H12	108.4°	109.5°
F1	C1	H12	109.9°	109.5°
C7	C8	C9	104.9°	107.1°
C8	C7	H6	111.2°	110.0°
C8	C7	H7	111.2°	110.0°
C7	C8	H8	110.6°	109.9°
C7	C8	H9	110.6°	109.9°
C10	C9	C8	114.9°	109.5°
C9	C10	H10	111.6°	109.8°
C9	C10	H11	111.6°	109.8°
C10	C9	H15	111.0°	112.7°
C9	C8	H8	110.6°	109.9°
C9	C8	H9	110.6°	110.0°
C8	C9	H15	110.8°	113.1°
H1	C4	H2	109.5°	110.3°
H4	C6	H5	109.5°	110.4°
H6	C7	H7	109.5°	110.1°
H8	C8	H9	109.5°	109.9°
H10	C10	H11	109.5°	109.8°
H13	C2	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C4	C5	H1	119.1°	118.9°
N1	C4	C5	H2	119.1°	119.0°
N1	C4	C5	C6	118.7°	73.5°
C4	N1	C3	C2	122.4°	0.3°
C4	N1	C3	C10	173.3°	179.7°
C4	N1	C3	O2	57.9°	179.6°
N1	C4	C5	C9	4.9°	34.9°
C4	N1	C10	C9	41.6°	2.3°
N1	C4	H1	H2	122.6°	122.0°
N1	C4	C5	H3	114.5°	158.0°
C4	N1	C10	H10	77.0°	121.9°
C4	N1	C10	H11	160.2°	117.2°
C4	C5	C6	C9	115.3°	107.6°
C4	C5	C6	H3	126.9°	128.1°
C4	C5	C6	C7	156.1°	143.3°
C5	C4	N1	C3	144.8°	156.0°
C5	C4	N1	C10	29.4°	23.8°
C4	C5	C9	H3	119.6°	123.0°
C4	C5	C9	C10	19.5°	32.6°
C4	C5	C9	C8	140.6°	147.2°
C5	C4	H1	H2	122.7°	122.0°
C4	C5	C6	H4	85.2°	97.8°
C4	C5	C6	H5	37.4°	24.4°
C4	C5	C9	H15	99.8°	89.4°
F2	C1	O1	C2	52.4°	60.0°
F2	C1	O1	F1	117.1°	120.0°
F2	C1	O1	H12	122.3°	120.0°
F2	C1	F1	H12	117.9°	120.0°
C5	C6	C7	H4	118.7°	118.9°
C5	C6	C7	H5	118.7°	118.8°
C6	C5	C9	H3	118.0°	124.6°
C5	C6	C7	C8	48.2°	23.2°
C6	C5	C9	C10	103.0°	79.8°
C6	C5	C9	C8	18.2°	34.8°
C6	C5	C4	H1	122.2°	167.6°
C6	C5	C4	H2	0.4°	45.6°
C5	C6	H4	H5	123.7°	122.2°
C5	C6	C7	H6	70.6°	96.0°
C5	C6	C7	H7	167.1°	142.6°
C6	C5	C9	H15	137.7°	158.2°
C7	C6	C5	C9	40.8°	35.7°
C6	C7	C8	H6	118.8°	119.3°
C6	C7	C8	H7	118.9°	119.3°
C6	C7	C8	C9	36.8°	1.3°
C7	C6	C5	H3	77.0°	88.6°
C7	C6	H4	H5	123.8°	122.3°
C6	C7	H6	H7	123.3°	121.3°
C6	C7	C8	H8	156.0°	120.7°
C6	C7	C8	H9	82.5°	118.2°
C3	C2	O1	H13	120.5°	120.0°
C3	C2	O1	H14	120.5°	120.0°
C2	C3	N1	O2	179.7°	180.0°
C2	C3	N1	C10	64.4°	180.0°
C3	C2	O1	C1	83.1°	180.0°
C3	C2	H13	H14	118.4°	120.0°
O1	C2	C3	N1	120.5°	180.0°
O1	C2	C3	O2	59.3°	0.0°
C2	O1	C1	F1	169.4°	60.1°
C2	O1	C1	H12	70.0°	180.0°
O1	C2	H13	H14	118.5°	120.0°
C3	N1	C10	C9	132.6°	177.4°
C3	N1	C4	H1	25.7°	85.1°
C3	N1	C4	H2	96.1°	36.9°
C3	N1	C10	H10	108.8°	57.8°
C3	N1	C10	H11	14.0°	63.1°
N1	C3	C2	H13	0.0°	60.0°
N1	C3	C2	H14	119.0°	60.0°
O2	C3	N1	C10	115.4°	0.0°
O2	C3	C2	H13	179.8°	120.1°
O2	C3	C2	H14	61.3°	119.9°
N1	C10	C9	C5	36.0°	19.6°
N1	C10	C9	H10	118.6°	119.6°
N1	C10	C9	H11	118.6°	119.6°
N1	C10	C9	C8	150.3°	130.6°
C10	N1	C4	H1	148.5°	95.2°
C10	N1	C4	H2	89.7°	142.8°
N1	C10	H10	H11	124.0°	120.9°
N1	C10	C9	H15	83.0°	102.5°
C5	C9	C8	C7	11.0°	20.8°
C5	C9	C10	C8	114.3°	111.1°
C5	C9	C10	H15	119.0°	122.1°
C5	C9	C8	H15	119.5°	123.2°
C9	C5	C4	H1	124.0°	84.0°
C9	C5	C4	H2	114.2°	153.9°
C9	C5	C6	H4	159.4°	154.6°
C9	C5	C6	H5	77.9°	83.1°
C5	C9	C8	H8	130.3°	98.6°
C5	C9	C8	H9	108.3°	140.3°
C5	C9	C10	H10	82.5°	100.1°
C5	C9	C10	H11	154.6°	139.1°
O1	C1	F1	H12	119.7°	120.0°
C1	O1	C2	H13	156.4°	60.0°
C1	O1	C2	H14	37.4°	60.1°
C7	C8	C9	C10	124.7°	89.4°
C7	C8	C9	H8	119.3°	119.4°
C7	C8	C9	H9	119.3°	119.5°
C8	C7	C6	H4	166.9°	142.1°
C8	C7	C6	H5	70.4°	95.6°
C8	C7	H6	H7	123.3°	121.4°
C7	C8	H8	H9	122.1°	121.1°
C7	C8	C9	H15	108.5°	144.0°
C10	C9	C8	H15	126.8°	126.6°
C10	C9	C5	H3	139.1°	155.6°
C10	C9	C8	H8	116.0°	151.2°
C10	C9	C8	H9	5.4°	30.1°
C9	C10	H10	H11	124.0°	120.8°
C8	C9	C5	H3	99.8°	89.8°
C9	C8	C7	H6	82.1°	117.9°
C9	C8	C7	H7	155.6°	120.6°
C9	C8	H8	H9	122.1°	121.2°
C8	C9	C10	H10	31.7°	11.0°
C8	C9	C10	H11	91.1°	109.8°
H1	C4	C5	H3	4.6°	39.1°
H2	C4	C5	H3	126.4°	82.9°
H3	C5	C6	H4	41.7°	30.3°
H3	C5	C6	H5	164.3°	152.5°
H3	C5	C9	H15	19.8°	33.6°
H4	C6	C7	H6	48.0°	22.8°
H4	C6	C7	H7	74.2°	98.6°
H5	C6	C7	H6	170.7°	145.2°
H5	C6	C7	H7	48.4°	23.8°
H6	C7	C8	H8	37.2°	1.5°
H6	C7	C8	H9	158.6°	122.5°
H7	C7	C8	H8	85.1°	120.0°
H7	C7	C8	H9	36.3°	1.1°
H8	C8	C9	H15	10.8°	24.6°
H9	C8	C9	H15	132.2°	96.5°
H10	C10	C9	H15	158.4°	137.8°
H11	C10	C9	H15	35.6°	17.1°

Release date:	2022-03-16
Definition date:	2022-03-04
Last modified:	2022-03-11
Release status:	REL
Processing site:	RCSB
Derived from:	5SLZ