CZY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C	sing	1.74Å	1.74Å
C	N1	doub	1.32Å	1.32Å	Aromatic
C	N	sing	1.32Å	1.32Å	Aromatic
N1	C1	sing	1.33Å	1.35Å	Aromatic
N	C3	doub	1.33Å	1.34Å	Aromatic
C1	N4	sing	1.36Å	1.35Å	Aromatic
C1	C2	doub	1.41Å	1.40Å	Aromatic
C3	N2	sing	1.38Å	1.35Å
C3	C2	sing	1.41Å	1.43Å	Aromatic
C14	N4	sing	1.46Å	1.46Å
N4	N3	sing	1.40Å	1.37Å	Aromatic
N2	C4	sing	1.47Å	1.47Å
C2	C13	sing	1.41Å	1.41Å	Aromatic
C10	C9	doub	1.38Å	1.39Å	Aromatic
C10	C5	sing	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
N3	C13	doub	1.30Å	1.32Å	Aromatic
F	C11	sing	1.40Å	1.31Å
C4	C5	sing	1.51Å	1.52Å
C4	C12	sing	1.53Å	1.53Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C8	C11	sing	1.51Å	1.50Å
C8	C7	doub	1.38Å	1.39Å	Aromatic
C11	F1	sing	1.40Å	1.32Å
C11	F2	sing	1.40Å	1.32Å
C6	C7	sing	1.38Å	1.39Å	Aromatic
C7	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
N2	H11	sing	0.97Å	1.00Å
C4	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C	N1	115.0°	118.7°
CL	C	N	115.0°	118.7°
N1	C	N	129.8°	122.6°
C	N1	C1	112.1°	120.7°
C	N	C3	116.4°	121.2°
N1	C1	N4	126.2°	134.6°
N1	C1	C2	126.6°	118.8°
N	C3	N2	118.0°	120.8°
N	C3	C2	121.6°	118.4°
N4	C1	C2	107.1°	106.6°
C1	N4	C14	129.9°	125.9°
C1	N4	N3	111.0°	108.2°
C1	C2	C3	113.4°	118.3°
C1	C2	C13	104.4°	107.1°
N2	C3	C2	120.5°	120.8°
C3	N2	C4	131.6°	120.0°
C3	N2	H11	103.7°	120.0°
C3	C2	C13	142.2°	134.7°
C14	N4	N3	119.1°	125.9°
N4	C14	H8	109.5°	109.5°
N4	C14	H9	109.5°	109.5°
N4	C14	H10	109.4°	109.5°
N4	N3	C13	106.1°	109.7°
N2	C4	C5	111.1°	109.5°
N2	C4	C12	108.3°	109.4°
C4	N2	H11	103.7°	120.0°
N2	C4	H12	108.8°	109.5°
C2	C13	N3	111.4°	108.4°
C2	C13	H7	124.3°	125.8°
C9	C10	C5	121.0°	120.0°
C10	C9	C8	120.8°	120.0°
C10	C9	H2	119.6°	120.0°
C9	C10	H3	119.5°	120.0°
C10	C5	C4	120.3°	120.0°
C10	C5	C6	118.2°	120.0°
C5	C10	H3	119.5°	120.0°
C9	C8	C11	120.7°	120.0°
C9	C8	C7	118.4°	120.0°
C8	C9	H2	119.6°	120.0°
N3	C13	H7	124.3°	125.8°
F	C11	C8	113.4°	109.5°
F	C11	F1	106.0°	109.4°
F	C11	F2	102.8°	109.5°
C5	C4	C12	112.2°	109.5°
C4	C5	C6	121.6°	119.9°
C5	C4	H12	108.2°	109.5°
C4	C12	H4	109.5°	109.5°
C4	C12	H5	109.5°	109.5°
C4	C12	H6	109.5°	109.5°
C12	C4	H12	108.1°	109.4°
C5	C6	C7	120.9°	120.0°
C5	C6	H13	119.6°	120.1°
C11	C8	C7	120.8°	120.0°
C8	C11	F1	112.7°	109.5°
C8	C11	F2	113.3°	109.5°
C8	C7	C6	120.7°	120.0°
C8	C7	H1	119.6°	120.1°
F1	C11	F2	107.8°	109.4°
C6	C7	H1	119.6°	120.0°
C7	C6	H13	119.5°	120.0°
H4	C12	H5	109.5°	109.5°
H4	C12	H6	109.4°	109.4°
H5	C12	H6	109.5°	109.5°
H8	C14	H9	109.5°	109.4°
H8	C14	H10	109.5°	109.5°
H9	C14	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C	N1	N	175.6°	179.6°
CL	C	N1	C1	172.7°	180.0°
CL	C	N	C3	173.5°	180.0°
N1	C	N	C3	2.1°	0.4°
C	N1	C1	N4	176.3°	179.9°
C	N1	C1	C2	1.2°	0.1°
N	C	N1	C1	3.0°	0.4°
C	N	C3	N2	178.1°	180.0°
C	N	C3	C2	0.6°	0.1°
N1	C1	N4	C2	177.9°	180.0°
N1	C1	C2	C3	1.0°	0.2°
N1	C1	N4	C14	3.1°	0.2°
N1	C1	N4	N3	177.5°	179.7°
N1	C1	C2	C13	177.6°	180.0°
N	C3	C2	C1	1.9°	0.2°
N	C3	N2	C2	178.7°	179.9°
N	C3	N2	C4	178.7°	0.1°
N	C3	C2	C13	175.9°	180.0°
N	C3	N2	H11	58.5°	180.0°
N4	C1	C2	C3	178.9°	179.8°
C1	N4	C14	N3	179.3°	179.5°
N4	C1	C2	C13	0.3°	0.0°
C1	N4	N3	C13	0.3°	0.5°
C1	N4	C14	H8	179.3°	89.5°
C1	N4	C14	H9	59.3°	30.5°
C1	N4	C14	H10	60.7°	150.5°
C1	C2	C3	N2	176.7°	179.7°
C1	C2	C3	C13	177.8°	179.7°
C2	C1	N4	C14	178.9°	179.9°
C2	C1	N4	N3	0.4°	0.3°
C1	C2	C13	N3	0.1°	0.3°
C1	C2	C13	H7	179.9°	179.7°
C3	N2	C4	H11	122.8°	179.9°
N2	C3	C2	C13	5.5°	0.0°
C3	N2	C4	C5	93.9°	155.0°
C3	N2	C4	C12	142.4°	85.0°
C3	N2	C4	H12	25.0°	34.9°
C2	C3	N2	C4	0.0°	180.0°
C3	C2	C13	N3	178.0°	180.0°
C3	C2	C13	H7	2.0°	0.1°
C2	C3	N2	H11	122.8°	0.1°
C14	N4	N3	C13	179.1°	180.0°
N4	C14	H8	H9	120.0°	120.0°
N4	C14	H8	H10	120.0°	120.1°
N4	C14	H9	H10	120.0°	120.0°
N4	N3	C13	C2	0.1°	0.4°
N4	N3	C13	H7	179.9°	179.5°
N3	N4	C14	H8	0.0°	90.0°
N3	N4	C14	H9	120.0°	150.0°
N3	N4	C14	H10	120.0°	30.0°
N2	C4	C5	C10	1.9°	39.7°
N2	C4	C5	C12	121.4°	120.0°
N2	C4	C5	H12	119.4°	120.0°
N2	C4	C12	H12	117.8°	120.0°
N2	C4	C5	C6	179.0°	140.0°
N2	C4	C12	H4	180.0°	60.0°
N2	C4	C12	H5	60.0°	180.0°
N2	C4	C12	H6	60.0°	60.0°
C2	C13	N3	H7	180.0°	180.0°
C9	C10	C5	H3	180.0°	179.9°
C10	C9	C8	H2	180.0°	180.0°
C9	C10	C5	C4	179.7°	179.7°
C9	C10	C5	C6	0.5°	0.0°
C10	C9	C8	C11	178.1°	179.9°
C10	C9	C8	C7	0.3°	0.1°
C5	C10	C9	C8	0.5°	0.0°
C10	C5	C4	C6	179.1°	179.7°
C10	C5	C4	C12	119.6°	80.3°
C10	C5	C6	C7	0.2°	0.0°
C5	C10	C9	H2	179.5°	180.0°
C10	C5	C4	H12	121.2°	159.7°
C10	C5	C6	H13	179.8°	180.0°
C9	C8	C11	F	6.3°	150.0°
C9	C8	C11	C7	178.3°	180.0°
C9	C8	C11	F1	114.1°	90.0°
C9	C8	C11	F2	123.1°	29.9°
C9	C8	C7	C6	1.1°	0.1°
C9	C8	C7	H1	179.0°	180.0°
C8	C9	C10	H3	179.5°	179.9°
F	C11	C8	F1	120.4°	120.0°
F	C11	C8	F2	116.8°	120.1°
F	C11	C8	C7	172.0°	30.0°
F	C11	F1	F2	109.5°	120.0°
C5	C4	C12	H12	119.2°	120.1°
C4	C5	C6	C7	178.9°	179.7°
C4	C5	C10	H3	0.3°	0.2°
C5	C4	C12	H4	57.0°	180.0°
C5	C4	C12	H5	63.0°	60.0°
C5	C4	C12	H6	177.0°	60.0°
C5	C4	N2	H11	28.9°	24.9°
C4	C5	C6	H13	1.1°	0.3°
C12	C4	C5	C6	59.5°	100.0°
C4	C12	H4	H5	120.0°	120.0°
C4	C12	H4	H6	120.0°	120.0°
C4	C12	H5	H6	120.0°	120.0°
C12	C4	N2	H11	94.8°	95.0°
C5	C6	C7	C8	1.0°	0.1°
C5	C6	C7	H13	180.0°	179.9°
C5	C6	C7	H1	179.0°	180.0°
C6	C5	C10	H3	179.5°	179.9°
C6	C5	C4	H12	59.7°	20.0°
C8	C11	F1	F2	125.8°	120.0°
C11	C8	C7	C6	177.3°	179.9°
C11	C8	C7	H1	2.7°	0.0°
C11	C8	C9	H2	1.9°	0.0°
C7	C8	C11	F1	67.5°	90.0°
C7	C8	C11	F2	55.3°	150.1°
C8	C7	C6	H1	180.0°	179.9°
C7	C8	C9	H2	179.7°	180.0°
C8	C7	C6	H13	179.0°	179.9°
H1	C7	C6	H13	1.0°	0.1°
H2	C9	C10	H3	0.5°	0.1°
H4	C12	H5	H6	120.0°	120.0°
H4	C12	C4	H12	62.2°	60.0°
H5	C12	C4	H12	177.8°	60.0°
H6	C12	C4	H12	57.8°	179.9°
H8	C14	H9	H10	120.0°	119.9°
H11	N2	C4	H12	147.9°	145.0°

Release date:	2017-11-22
Definition date:	2017-10-10
Last modified:	2017-11-17
Release status:	REL
Processing site:	RCSB
Derived from:	6B97