CZV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C	sing	1.74Å	1.73Å
C	N	doub	1.32Å	1.32Å	Aromatic
C	N1	sing	1.32Å	1.32Å	Aromatic
N	C3	sing	1.33Å	1.34Å	Aromatic
N1	C1	doub	1.33Å	1.34Å	Aromatic
C3	N2	sing	1.38Å	1.36Å
C3	C2	doub	1.41Å	1.44Å	Aromatic
C1	C2	sing	1.41Å	1.49Å	Aromatic
C1	N4	sing	1.36Å	1.35Å	Aromatic
N2	C4	sing	1.47Å	1.47Å
C2	C14	sing	1.41Å	1.41Å	Aromatic
N4	N3	sing	1.40Å	1.36Å	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
C4	C5	sing	1.51Å	1.52Å
C4	C13	sing	1.53Å	1.52Å
C4	C12	sing	1.53Å	1.52Å
C14	N3	doub	1.30Å	1.32Å	Aromatic
C5	C6	doub	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.53Å	1.49Å
F2	C11	sing	1.40Å	1.34Å
C8	C11	sing	1.51Å	1.50Å
C8	C7	doub	1.38Å	1.39Å	Aromatic
F1	C11	sing	1.40Å	1.34Å
C11	F	sing	1.40Å	1.33Å
C6	C7	sing	1.38Å	1.38Å	Aromatic
N4	H1	sing	0.97Å	1.00Å
C7	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.08Å	1.08Å
N2	H10	sing	0.97Å	1.00Å
C6	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C	N	115.0°	118.7°
CL	C	N1	114.9°	118.7°
N	C	N1	130.1°	122.6°
C	N	C3	116.7°	121.1°
C	N1	C1	116.4°	120.7°
N	C3	N2	117.0°	120.8°
N	C3	C2	121.5°	118.4°
N1	C1	C2	120.5°	118.9°
N1	C1	N4	133.9°	134.6°
N2	C3	C2	121.4°	120.8°
C3	N2	C4	129.6°	120.0°
C3	N2	H10	104.2°	120.0°
C3	C2	C1	114.7°	118.3°
C3	C2	C14	143.6°	134.7°
C2	C1	N4	105.6°	106.5°
C1	C2	C14	101.7°	107.1°
C1	N4	N3	113.0°	108.3°
C1	N4	H1	123.5°	125.9°
N2	C4	C5	113.6°	115.6°
N2	C4	C13	117.2°	117.5°
N2	C4	C12	117.5°	117.5°
C4	N2	H10	104.2°	120.0°
C2	C14	N3	113.7°	108.5°
C2	C14	H9	123.2°	125.8°
N4	N3	C14	106.1°	109.6°
N3	N4	H1	123.5°	125.8°
C9	C10	C5	120.8°	120.0°
C10	C9	C8	120.7°	120.0°
C10	C9	H3	119.7°	120.0°
C9	C10	H4	119.6°	120.0°
C10	C5	C4	121.2°	120.0°
C10	C5	C6	118.1°	120.0°
C5	C10	H4	119.6°	120.0°
C9	C8	C11	121.1°	120.0°
C9	C8	C7	118.5°	120.0°
C8	C9	H3	119.6°	120.0°
C5	C4	C13	116.6°	117.5°
C5	C4	C12	122.3°	117.5°
C4	C5	C6	120.6°	120.0°
C13	C4	C12	58.8°	60.0°
C4	C13	C12	60.6°	60.0°
C4	C13	H7	119.9°	117.5°
C4	C13	H8	119.9°	117.6°
C4	C12	C13	60.6°	60.0°
C4	C12	H5	119.9°	117.5°
C4	C12	H6	119.9°	117.5°
N3	C14	H9	123.2°	125.8°
C5	C6	C7	121.0°	120.0°
C5	C6	H11	119.5°	120.0°
C13	C12	H5	119.9°	117.5°
C13	C12	H6	119.9°	117.5°
C12	C13	H7	119.9°	117.5°
C12	C13	H8	119.9°	117.5°
F2	C11	C8	113.1°	109.5°
F2	C11	F1	107.5°	109.5°
F2	C11	F	104.7°	109.4°
C11	C8	C7	120.5°	120.0°
C8	C11	F1	112.6°	109.5°
C8	C11	F	112.8°	109.5°
C8	C7	C6	120.8°	120.1°
C8	C7	H2	119.6°	120.0°
F1	C11	F	105.6°	109.4°
C6	C7	H2	119.6°	120.0°
C7	C6	H11	119.5°	120.0°
H5	C12	H6	109.5°	115.6°
H7	C13	H8	109.5°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C	N	N1	177.5°	179.6°
CL	C	N	C3	176.6°	180.0°
CL	C	N1	C1	175.2°	180.0°
N	C	N1	C1	2.3°	0.5°
C	N	C3	N2	174.3°	180.0°
C	N	C3	C2	1.6°	0.1°
N1	C	N	C3	0.9°	0.4°
C	N1	C1	C2	1.1°	0.1°
C	N1	C1	N4	176.6°	179.8°
N	C3	N2	C2	176.0°	179.9°
N	C3	C2	C1	2.4°	0.3°
N	C3	N2	C4	173.7°	4.7°
N	C3	C2	C14	175.6°	180.0°
N	C3	N2	H10	63.7°	175.3°
N1	C1	C2	C3	1.0°	0.2°
N1	C1	C2	N4	178.3°	180.0°
N1	C1	C2	C14	177.8°	180.0°
N1	C1	N4	N3	177.5°	179.8°
N1	C1	N4	H1	2.5°	0.0°
N2	C3	C2	C1	173.4°	179.7°
C3	N2	C4	H10	122.6°	180.0°
N2	C3	C2	C14	8.6°	0.0°
C3	N2	C4	C5	87.6°	64.5°
C3	N2	C4	C13	131.6°	81.3°
C3	N2	C4	C12	64.5°	149.8°
C3	C2	C1	C14	178.8°	179.8°
C3	C2	C1	N4	179.3°	179.8°
C2	C3	N2	C4	2.3°	175.4°
C3	C2	C14	N3	178.6°	180.0°
C3	C2	C14	H9	1.4°	0.0°
C2	C3	N2	H10	120.3°	4.7°
C2	C1	N4	N3	0.4°	0.2°
C1	C2	C14	N3	0.4°	0.3°
C2	C1	N4	H1	179.6°	179.9°
C1	C2	C14	H9	179.5°	179.7°
N4	C1	C2	C14	0.5°	0.0°
C1	N4	N3	H1	180.0°	179.7°
C1	N4	N3	C14	0.2°	0.4°
N2	C4	C5	C10	7.3°	171.1°
N2	C4	C5	C13	140.9°	145.8°
N2	C4	C5	C12	150.7°	145.7°
N2	C4	C13	C12	107.2°	107.5°
N2	C4	C5	C6	174.4°	8.6°
N2	C4	C12	H5	3.0°	145.0°
N2	C4	C12	H6	143.7°	0.0°
N2	C4	C13	H7	143.2°	0.1°
N2	C4	C13	H8	2.5°	145.0°
C2	C14	N3	N4	0.2°	0.4°
C2	C14	N3	H9	180.0°	180.0°
N4	N3	C14	H9	179.8°	179.6°
C9	C10	C5	H4	180.0°	180.0°
C10	C9	C8	H3	180.0°	179.9°
C9	C10	C5	C4	177.9°	179.7°
C9	C10	C5	C6	0.5°	0.1°
C10	C9	C8	C11	178.1°	179.9°
C10	C9	C8	C7	0.6°	0.1°
C5	C10	C9	C8	0.4°	0.1°
C10	C5	C4	C6	178.3°	179.7°
C10	C5	C4	C13	133.7°	25.4°
C10	C5	C4	C12	157.9°	43.2°
C10	C5	C6	C7	1.0°	0.0°
C5	C10	C9	H3	179.6°	180.0°
C10	C5	C6	H11	178.9°	180.0°
C9	C8	C11	F2	33.0°	150.0°
C9	C8	C11	C7	178.7°	179.9°
C9	C8	C11	F1	89.1°	30.0°
C9	C8	C11	F	151.5°	90.0°
C9	C8	C7	C6	0.1°	0.1°
C9	C8	C7	H2	179.9°	179.9°
C8	C9	C10	H4	179.6°	179.9°
C5	C4	C13	C12	113.3°	107.5°
C4	C5	C6	C7	177.3°	179.7°
C4	C5	C10	H4	2.1°	0.3°
C5	C4	C12	H5	146.6°	0.0°
C5	C4	C12	H6	5.9°	145.0°
C5	C4	C13	H7	3.6°	145.0°
C5	C4	C13	H8	137.1°	0.1°
C5	C4	N2	H10	35.0°	115.5°
C4	C5	C6	H11	2.7°	0.3°
C13	C4	C5	C6	44.6°	154.3°
C4	C13	C12	H7	109.6°	107.5°
C4	C13	C12	H8	109.6°	107.5°
C13	C4	C12	H5	109.6°	107.5°
C13	C4	C12	H6	109.7°	107.5°
C4	C13	H7	H8	144.4°	145.7°
C13	C4	N2	H10	105.7°	98.7°
C12	C4	C5	C6	23.8°	137.1°
C4	C12	H5	H6	144.4°	145.7°
C12	C4	N2	H10	172.9°	30.1°
C14	N3	N4	H1	179.8°	179.9°
C5	C6	C7	C8	0.8°	0.1°
C5	C6	C7	H11	180.0°	180.0°
C5	C6	C7	H2	179.3°	180.0°
C6	C5	C10	H4	179.5°	180.0°
C13	C12	H5	H6	144.4°	145.6°
C12	C13	H7	H8	144.5°	145.7°
F2	C11	C8	F1	122.0°	120.0°
F2	C11	C8	F	118.5°	120.0°
F2	C11	C8	C7	148.3°	30.0°
F2	C11	F1	F	111.4°	119.9°
C8	C11	F1	F	123.5°	120.0°
C11	C8	C7	C6	178.6°	179.9°
C11	C8	C7	H2	1.4°	0.0°
C11	C8	C9	H3	1.9°	0.0°
C7	C8	C11	F1	89.6°	150.0°
C7	C8	C11	F	29.8°	90.0°
C8	C7	C6	H2	180.0°	179.9°
C7	C8	C9	H3	179.3°	180.0°
C8	C7	C6	H11	179.2°	180.0°
H2	C7	C6	H11	0.7°	0.0°
H3	C9	C10	H4	0.4°	0.0°
H5	C12	C13	H7	140.8°	145.0°
H5	C12	C13	H8	0.0°	0.0°
H6	C12	C13	H7	0.0°	0.0°
H6	C12	C13	H8	140.8°	144.9°

Release date:	2017-11-22
Definition date:	2017-10-10
Last modified:	2017-11-17
Release status:	REL
Processing site:	RCSB
Derived from:	6B96