5Z3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O22	C21	doub	1.22Å	1.23Å
C21	C23	sing	1.47Å	1.45Å
C21	N20	sing	1.35Å	1.40Å
C23	C1	doub	1.36Å	1.36Å
N20	C18	sing	1.34Å	1.39Å
C1	N17	sing	1.38Å	1.38Å
C1	C2	sing	1.48Å	1.51Å
F27	C24	sing	1.40Å	1.35Å
F26	C24	sing	1.40Å	1.36Å
C18	N17	sing	1.34Å	1.38Å
C18	O19	doub	1.22Å	1.23Å
O3	C2	doub	1.21Å	1.24Å
C2	N4	sing	1.35Å	1.35Å
C24	C14	sing	1.51Å	1.51Å
C24	F25	sing	1.40Å	1.35Å
C15	C14	doub	1.38Å	1.40Å	Aromatic
C15	C10	sing	1.39Å	1.41Å	Aromatic
N4	C9	sing	1.47Å	1.47Å
N4	C5	sing	1.47Å	1.47Å
C8	C9	sing	1.53Å	1.53Å
C8	N7	sing	1.47Å	1.47Å
C14	C13	sing	1.38Å	1.41Å	Aromatic
N7	C10	sing	1.40Å	1.41Å
N7	C6	sing	1.47Å	1.46Å
C10	C11	doub	1.39Å	1.41Å	Aromatic
C5	C6	sing	1.53Å	1.51Å
C13	CL16	sing	1.74Å	1.77Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C23	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
N17	H13	sing	0.97Å	1.00Å
N20	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O22	C21	C23	124.0°	120.6°
O22	C21	N20	120.7°	120.6°
C23	C21	N20	115.2°	118.8°
C21	C23	C1	119.1°	118.4°
C21	C23	H1	120.5°	120.8°
C21	N20	C18	126.4°	120.4°
C21	N20	H14	116.8°	119.8°
C23	C1	N17	121.8°	119.4°
C23	C1	C2	124.1°	120.3°
C1	C23	H1	120.4°	120.8°
N20	C18	N17	114.0°	121.8°
N20	C18	O19	123.7°	119.1°
C18	N20	H14	116.8°	119.8°
N17	C1	C2	114.0°	120.3°
C1	N17	C18	123.4°	121.2°
C1	N17	H13	118.3°	119.4°
C1	C2	O3	115.9°	120.0°
C1	C2	N4	120.6°	120.0°
F27	C24	F26	105.4°	109.5°
F27	C24	C14	113.1°	109.4°
F27	C24	F25	105.8°	109.5°
F26	C24	C14	112.3°	109.5°
F26	C24	F25	107.6°	109.5°
N17	C18	O19	122.4°	119.1°
C18	N17	H13	118.3°	119.4°
O3	C2	N4	123.5°	120.0°
C2	N4	C9	119.6°	120.9°
C2	N4	C5	123.3°	120.9°
C14	C24	F25	112.1°	109.4°
C24	C14	C15	119.2°	120.0°
C24	C14	C13	121.4°	120.0°
C14	C15	C10	121.7°	120.0°
C15	C14	C13	119.4°	120.0°
C14	C15	H12	119.2°	120.0°
C15	C10	N7	120.4°	120.1°
C15	C10	C11	117.3°	119.8°
C10	C15	H12	119.1°	120.0°
C9	N4	C5	117.2°	118.2°
N4	C9	C8	114.8°	108.5°
N4	C9	H4	108.1°	109.6°
N4	C9	H5	108.1°	109.8°
N4	C5	C6	113.1°	108.5°
N4	C5	H2	108.6°	109.6°
N4	C5	H3	108.6°	109.8°
C9	C8	N7	114.3°	109.4°
C8	C9	H4	108.1°	109.6°
C8	C9	H5	108.1°	109.7°
C9	C8	H6	108.2°	109.5°
C9	C8	H7	108.2°	109.5°
C8	N7	C10	116.6°	111.0°
C8	N7	C6	111.3°	111.3°
N7	C8	H6	108.3°	109.5°
N7	C8	H7	108.3°	109.5°
C14	C13	CL16	122.3°	119.9°
C14	C13	C12	119.8°	120.2°
C10	N7	C6	114.8°	111.0°
N7	C10	C11	122.3°	120.1°
N7	C6	C5	111.5°	109.4°
N7	C6	H8	109.0°	109.4°
N7	C6	H9	109.0°	109.5°
C10	C11	C12	121.4°	120.0°
C10	C11	H10	119.3°	120.0°
C6	C5	H2	108.5°	109.6°
C6	C5	H3	108.6°	109.6°
C5	C6	H8	109.0°	109.5°
C5	C6	H9	109.0°	109.5°
CL16	C13	C12	117.9°	119.9°
C13	C12	C11	120.5°	120.0°
C13	C12	H11	119.7°	120.0°
C12	C11	H10	119.3°	120.1°
C11	C12	H11	119.8°	120.0°
H2	C5	H3	109.4°	109.6°
H4	C9	H5	109.5°	109.7°
H6	C8	H7	109.5°	109.5°
H8	C6	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O22	C21	C23	N20	179.3°	180.0°
O22	C21	C23	C1	179.6°	180.0°
O22	C21	N20	C18	178.8°	179.4°
O22	C21	C23	H1	0.4°	0.3°
O22	C21	N20	H14	1.2°	0.1°
C21	C23	C1	H1	180.0°	179.7°
C23	C21	N20	C18	0.5°	0.6°
C21	C23	C1	N17	0.6°	0.3°
C21	C23	C1	C2	179.1°	179.7°
C23	C21	N20	H14	179.5°	179.9°
N20	C21	C23	C1	0.3°	0.0°
C21	N20	C18	H14	180.0°	179.3°
C21	N20	C18	N17	1.0°	1.0°
C21	N20	C18	O19	179.2°	179.7°
N20	C21	C23	H1	179.7°	179.7°
C23	C1	N17	C2	179.7°	179.9°
C23	C1	N17	C18	0.1°	0.1°
C23	C1	C2	O3	82.2°	92.4°
C23	C1	C2	N4	97.3°	87.6°
C23	C1	N17	H13	180.0°	180.0°
N20	C18	N17	C1	0.7°	0.7°
N20	C18	N17	O19	179.8°	179.3°
N20	C18	N17	H13	179.3°	179.4°
C1	N17	C18	H13	180.0°	180.0°
C1	N17	C18	O19	179.5°	180.0°
N17	C1	C2	O3	97.5°	87.5°
N17	C1	C2	N4	83.0°	92.5°
N17	C1	C23	H1	179.4°	180.0°
C2	C1	N17	C18	179.7°	180.0°
C1	C2	O3	N4	179.5°	180.0°
C1	C2	N4	C9	0.2°	175.0°
C1	C2	N4	C5	179.2°	5.0°
C2	C1	C23	H1	0.9°	0.1°
C2	C1	N17	H13	0.3°	0.1°
F27	C24	F26	C14	123.5°	120.0°
F27	C24	F26	F25	112.6°	120.0°
F27	C24	C14	F25	119.5°	120.0°
F27	C24	C14	C15	1.4°	119.9°
F27	C24	C14	C13	179.0°	60.0°
F26	C24	C14	F25	121.3°	120.0°
F26	C24	C14	C15	117.8°	120.1°
F26	C24	C14	C13	61.8°	60.0°
N17	C18	N20	H14	179.0°	179.7°
O19	C18	N17	H13	0.5°	0.0°
O19	C18	N20	H14	0.8°	0.4°
O3	C2	N4	C9	179.7°	5.0°
O3	C2	N4	C5	0.3°	175.0°
C2	N4	C9	C5	179.4°	180.0°
C2	N4	C9	C8	137.3°	128.8°
C2	N4	C5	C6	166.7°	128.8°
C2	N4	C5	H2	72.7°	111.5°
C2	N4	C5	H3	46.2°	9.0°
C2	N4	C9	H4	16.5°	9.1°
C2	N4	C9	H5	101.9°	111.4°
C24	C14	C15	C13	179.6°	179.9°
C24	C14	C15	C10	179.7°	180.0°
C24	C14	C13	CL16	0.2°	0.0°
C24	C14	C13	C12	179.7°	180.0°
C24	C14	C15	H12	0.3°	0.1°
F25	C24	C14	C15	120.9°	0.0°
F25	C24	C14	C13	59.5°	180.0°
C14	C15	C10	H12	180.0°	179.9°
C14	C15	C10	N7	179.7°	179.8°
C14	C15	C10	C11	0.0°	0.0°
C15	C14	C13	CL16	179.8°	180.0°
C15	C14	C13	C12	0.1°	0.1°
C15	C10	N7	C8	34.2°	179.7°
C10	C15	C14	C13	0.1°	0.1°
C15	C10	N7	C11	179.7°	179.7°
C15	C10	N7	C6	166.9°	55.4°
C15	C10	C11	C12	0.1°	0.0°
C15	C10	C11	H10	179.9°	180.0°
N4	C9	C8	H4	120.8°	119.6°
N4	C9	C8	H5	120.8°	119.9°
N4	C9	C8	N7	17.5°	53.8°
C9	N4	C5	C6	12.7°	51.2°
C9	N4	C5	H2	107.8°	68.5°
C9	N4	C5	H3	133.3°	171.0°
N4	C9	H4	H5	117.6°	120.5°
N4	C9	C8	H6	103.2°	173.8°
N4	C9	C8	H7	138.2°	66.1°
C5	N4	C9	C8	42.1°	51.2°
N4	C5	C6	N7	40.3°	53.8°
N4	C5	C6	H2	120.6°	119.7°
N4	C5	C6	H3	120.6°	119.9°
N4	C5	H2	H3	118.3°	120.6°
C5	N4	C9	H4	162.9°	170.9°
C5	N4	C9	H5	78.7°	68.6°
N4	C5	C6	H8	160.6°	66.1°
N4	C5	C6	H9	80.0°	173.8°
C9	C8	N7	H6	120.7°	119.9°
C9	C8	N7	H7	120.7°	120.0°
C9	C8	N7	C10	168.7°	172.7°
C9	C8	N7	C6	34.4°	63.1°
C8	C9	H4	H5	117.6°	120.5°
C9	C8	H6	H7	117.8°	120.1°
C8	N7	C10	C6	132.8°	124.4°
C8	N7	C10	C11	146.1°	0.0°
C8	N7	C6	C5	65.1°	63.1°
N7	C8	C9	H4	138.3°	173.5°
N7	C8	C9	H5	103.3°	66.1°
N7	C8	H6	H7	117.8°	120.1°
C8	N7	C6	H8	174.6°	56.9°
C8	N7	C6	H9	55.3°	176.9°
C14	C13	CL16	C12	180.0°	179.9°
C14	C13	C12	C11	0.2°	0.1°
C14	C13	C12	H11	179.8°	180.0°
C13	C14	C15	H12	179.9°	180.0°
C10	N7	C6	C5	159.8°	172.7°
N7	C10	C11	C12	179.8°	179.7°
C10	N7	C8	H6	70.6°	52.8°
C10	N7	C8	H7	48.0°	67.3°
C10	N7	C6	H8	39.5°	67.3°
C10	N7	C6	H9	79.9°	52.7°
N7	C10	C11	H10	0.2°	0.3°
N7	C10	C15	H12	0.2°	0.3°
C6	N7	C10	C11	13.4°	124.3°
N7	C6	C5	H8	120.3°	119.9°
N7	C6	C5	H9	120.3°	120.0°
N7	C6	C5	H2	160.9°	65.9°
N7	C6	C5	H3	80.2°	173.7°
C6	N7	C8	H6	155.1°	177.0°
C6	N7	C8	H7	86.3°	56.9°
N7	C6	H8	H9	119.1°	120.1°
C10	C11	C12	C13	0.2°	0.0°
C10	C11	C12	H10	180.0°	180.0°
C10	C11	C12	H11	179.9°	180.0°
C11	C10	C15	H12	179.9°	180.0°
C6	C5	H2	H3	118.3°	120.4°
C5	C6	H8	H9	119.1°	120.1°
CL16	C13	C12	C11	179.8°	180.0°
CL16	C13	C12	H11	0.2°	0.0°
C13	C12	C11	H11	180.0°	180.0°
C13	C12	C11	H10	179.8°	180.0°
H2	C5	C6	H8	78.8°	174.2°
H2	C5	C6	H9	40.6°	54.1°
H3	C5	C6	H8	40.0°	53.8°
H3	C5	C6	H9	159.5°	66.3°
H4	C9	C8	H6	17.6°	66.5°
H4	C9	C8	H7	101.0°	53.5°
H5	C9	C8	H6	136.0°	53.9°
H5	C9	C8	H7	17.4°	174.0°
H10	C11	C12	H11	0.2°	0.0°

Release date:	2021-11-10
Definition date:	2021-07-28
Last modified:	2021-11-05
Release status:	REL
Processing site:	RCSB
Derived from:	7RME