7ZW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C5	sing	1.53Å	1.55Å
C6	C5	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.55Å
C4	C3	sing	1.53Å	1.54Å
N1	C3	sing	1.47Å	1.45Å
N1	C8	sing	1.35Å	1.36Å
C3	C2	sing	1.52Å	1.53Å
C8	O1	doub	1.21Å	1.21Å
C8	N	sing	1.34Å	1.37Å
C2	N	sing	1.35Å	1.38Å
C2	O2	doub	1.21Å	1.23Å
O	C	doub	1.21Å	1.23Å
N	C1	sing	1.47Å	1.46Å
C14	C15	doub	1.38Å	1.38Å	Aromatic
C14	C12	sing	1.38Å	1.40Å	Aromatic
C15	C9	sing	1.39Å	1.39Å	Aromatic
F2	C13	sing	1.40Å	1.32Å
C	C1	sing	1.51Å	1.52Å
C	N2	sing	1.35Å	1.34Å
F1	C13	sing	1.40Å	1.35Å
C13	C12	sing	1.51Å	1.50Å
C13	F	sing	1.40Å	1.38Å
C12	C11	doub	1.38Å	1.39Å	Aromatic
C9	N2	sing	1.40Å	1.42Å
C9	C10	doub	1.39Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
N2	H5	sing	0.97Å	1.00Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
N1	H8	sing	0.97Å	1.00Å
C3	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C6	H16	sing	1.09Å	1.10Å
C6	H17	sing	1.09Å	1.10Å
C6	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C5	C6	110.4°	109.5°
C7	C5	C4	113.9°	109.4°
C7	C5	H12	106.8°	109.5°
C5	C7	H13	109.5°	109.5°
C5	C7	H14	109.5°	109.4°
C5	C7	H15	109.4°	109.5°
C6	C5	C4	111.5°	109.5°
C6	C5	H12	107.0°	109.5°
C5	C6	H16	109.5°	109.5°
C5	C6	H17	109.5°	109.5°
C5	C6	H18	109.5°	109.5°
C5	C4	C3	117.6°	109.4°
C5	C4	H10	107.4°	109.5°
C5	C4	H11	107.4°	109.5°
C4	C5	H12	106.9°	109.5°
C4	C3	N1	112.9°	110.6°
C4	C3	C2	115.2°	110.8°
C4	C3	H9	109.0°	110.7°
C3	C4	H10	107.4°	109.5°
C3	C4	H11	107.4°	109.4°
C3	N1	C8	113.7°	106.7°
N1	C3	C2	100.0°	103.6°
C3	N1	H8	123.2°	126.7°
N1	C3	H9	110.2°	110.6°
N1	C8	O1	127.5°	123.8°
N1	C8	N	107.2°	112.4°
C8	N1	H8	123.1°	126.7°
C3	C2	N	107.4°	105.7°
C3	C2	O2	128.2°	127.2°
C2	C3	H9	109.2°	110.4°
O1	C8	N	125.0°	123.8°
C8	N	C2	111.5°	111.7°
C8	N	C1	123.8°	124.1°
N	C2	O2	124.4°	127.1°
C2	N	C1	124.6°	124.2°
O	C	C1	122.3°	120.0°
O	C	N2	122.8°	120.0°
N	C1	C	110.3°	109.5°
N	C1	H6	109.3°	109.4°
N	C1	H7	109.3°	109.4°
C15	C14	C12	120.8°	120.1°
C14	C15	C9	120.0°	119.9°
C15	C14	H3	119.6°	119.9°
C14	C15	H4	120.0°	120.1°
C14	C12	C13	121.7°	119.9°
C14	C12	C11	118.6°	120.1°
C12	C14	H3	119.6°	120.0°
C15	C9	N2	124.1°	120.1°
C15	C9	C10	119.4°	119.9°
C9	C15	H4	120.0°	120.0°
F2	C13	F1	108.8°	109.4°
F2	C13	C12	110.9°	109.5°
F2	C13	F	104.9°	109.4°
C1	C	N2	114.9°	120.0°
C	C1	H6	109.3°	109.5°
C	C1	H7	109.3°	109.5°
C	N2	C9	127.3°	120.0°
C	N2	H5	116.3°	120.0°
F1	C13	C12	113.4°	109.5°
F1	C13	F	104.9°	109.5°
C12	C13	F	113.4°	109.4°
C13	C12	C11	119.6°	120.0°
C12	C11	C10	120.8°	120.0°
C12	C11	H1	119.6°	120.0°
N2	C9	C10	116.5°	120.1°
C9	N2	H5	116.3°	120.0°
C9	C10	C11	120.4°	120.0°
C9	C10	H2	119.8°	120.1°
C10	C11	H1	119.6°	120.0°
C11	C10	H2	119.8°	120.0°
H6	C1	H7	109.5°	109.5°
H10	C4	H11	109.5°	109.5°
H13	C7	H14	109.5°	109.5°
H13	C7	H15	109.4°	109.5°
H14	C7	H15	109.5°	109.4°
H16	C6	H17	109.5°	109.5°
H16	C6	H18	109.4°	109.5°
H17	C6	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C5	C6	C4	127.6°	119.9°
C7	C5	C6	H12	115.9°	120.1°
C7	C5	C4	H12	117.7°	120.0°
C7	C5	C4	C3	152.9°	174.0°
C7	C5	C4	H10	31.7°	54.1°
C7	C5	C4	H11	85.9°	66.0°
C5	C7	H13	H14	120.0°	120.0°
C5	C7	H13	H15	120.0°	120.1°
C5	C7	H14	H15	120.0°	120.0°
C7	C5	C6	H16	180.0°	174.5°
C7	C5	C6	H17	60.0°	54.5°
C7	C5	C6	H18	60.0°	65.5°
C6	C5	C4	H12	116.6°	120.1°
C6	C5	C4	C3	81.4°	66.0°
C6	C5	C4	H10	157.4°	174.0°
C6	C5	C4	H11	39.8°	54.0°
C6	C5	C7	H13	180.0°	60.0°
C6	C5	C7	H14	60.0°	60.0°
C6	C5	C7	H15	60.0°	180.0°
C5	C6	H16	H17	120.0°	120.0°
C5	C6	H16	H18	120.0°	120.1°
C5	C6	H17	H18	120.0°	120.0°
C5	C4	C3	H10	121.2°	120.0°
C5	C4	C3	H11	121.2°	120.0°
C5	C4	C3	N1	50.8°	174.3°
C5	C4	C3	C2	164.8°	71.4°
C5	C4	C3	H9	72.0°	51.4°
C5	C4	H10	H11	116.3°	120.1°
C4	C5	C7	H13	53.7°	60.0°
C4	C5	C7	H14	173.7°	180.0°
C4	C5	C7	H15	66.3°	60.1°
C4	C5	C6	H16	52.4°	65.6°
C4	C5	C6	H17	67.6°	174.4°
C4	C5	C6	H18	172.4°	54.4°
C4	C3	N1	C2	123.0°	118.7°
C4	C3	N1	H9	122.1°	122.9°
C4	C3	N1	C8	120.6°	118.5°
C4	C3	C2	H9	123.0°	123.0°
C4	C3	C2	N	121.4°	118.3°
C4	C3	C2	O2	59.9°	61.4°
C4	C3	N1	H8	59.4°	61.2°
C3	C4	H10	H11	116.3°	120.0°
C3	C4	C5	H12	35.2°	54.1°
C3	N1	C8	H8	180.0°	179.8°
N1	C3	C2	H9	115.7°	118.4°
C3	N1	C8	O1	170.4°	180.0°
C3	N1	C8	N	4.0°	0.0°
N1	C3	C2	N	0.1°	0.3°
N1	C3	C2	O2	178.8°	180.0°
N1	C3	C4	H10	70.4°	65.7°
N1	C3	C4	H11	171.9°	54.3°
C8	N1	C3	C2	2.4°	0.2°
N1	C8	O1	N	173.5°	180.0°
N1	C8	N	C2	4.0°	0.2°
N1	C8	N	C1	179.3°	180.0°
C8	N1	C3	H9	117.3°	118.5°
C3	C2	N	C8	2.5°	0.3°
C3	C2	N	O2	178.8°	179.7°
C3	C2	N	C1	179.2°	179.9°
C2	C3	N1	H8	177.6°	180.0°
C2	C3	C4	H10	43.7°	48.5°
C2	C3	C4	H11	74.0°	168.6°
O1	C8	N	C2	170.6°	179.8°
O1	C8	N	C1	6.1°	0.0°
O1	C8	N1	H8	9.6°	0.2°
C8	N	C2	C1	176.7°	179.8°
C8	N	C2	O2	178.7°	179.9°
C8	N	C1	C	90.7°	90.0°
C8	N	C1	H6	149.1°	30.0°
C8	N	C1	H7	29.3°	150.0°
N	C8	N1	H8	176.0°	179.8°
C2	N	C1	C	85.6°	90.3°
C2	N	C1	H6	34.6°	149.7°
C2	N	C1	H7	154.3°	29.7°
N	C2	C3	H9	115.6°	118.7°
O2	C2	N	C1	2.0°	0.2°
O2	C2	C3	H9	63.1°	61.5°
O	C	C1	N	29.7°	0.0°
O	C	C1	N2	179.3°	180.0°
O	C	N2	C9	1.5°	5.1°
O	C	N2	H5	178.5°	174.9°
O	C	C1	H6	90.4°	120.0°
O	C	C1	H7	149.8°	120.0°
N	C1	C	H6	120.1°	120.0°
N	C1	C	H7	120.1°	120.0°
N	C1	C	N2	151.0°	180.0°
N	C1	H6	H7	119.6°	120.0°
C15	C14	C12	H3	180.0°	180.0°
C14	C15	C9	H4	180.0°	180.0°
C15	C14	C12	C13	177.0°	180.0°
C15	C14	C12	C11	0.1°	0.3°
C14	C15	C9	N2	179.5°	180.0°
C14	C15	C9	C10	0.1°	0.2°
C12	C14	C15	C9	0.3°	0.0°
C14	C12	C13	F2	100.3°	90.3°
C14	C12	C13	F1	22.5°	29.7°
C14	C12	C13	C11	177.0°	179.7°
C14	C12	C13	F	141.9°	149.8°
C14	C12	C11	C10	0.9°	0.3°
C14	C12	C11	H1	179.1°	179.8°
C12	C14	C15	H4	179.7°	180.0°
C15	C9	N2	C	0.2°	33.0°
C15	C9	N2	C10	179.4°	179.8°
C15	C9	C10	C11	0.9°	0.2°
C15	C9	C10	H2	179.1°	179.8°
C9	C15	C14	H3	179.7°	180.0°
C15	C9	N2	H5	179.8°	147.0°
F2	C13	F1	C12	123.9°	120.0°
F2	C13	F1	F	111.8°	119.9°
F2	C13	C12	F	117.7°	119.9°
F2	C13	C12	C11	76.7°	90.0°
C1	C	N2	C9	177.8°	174.9°
C1	C	N2	H5	2.2°	5.2°
C	C1	H6	H7	119.6°	120.0°
C	N2	C9	H5	180.0°	179.9°
C	N2	C9	C10	179.6°	147.2°
N2	C	C1	H6	88.9°	60.1°
N2	C	C1	H7	30.9°	60.0°
F1	C13	C12	F	119.5°	120.0°
F1	C13	C12	C11	160.5°	150.0°
C13	C12	C11	C10	176.2°	180.0°
C13	C12	C11	H1	3.8°	0.1°
C13	C12	C14	H3	3.0°	0.0°
F	C13	C12	C11	41.0°	29.9°
C12	C11	C10	C9	1.3°	0.1°
C12	C11	C10	H1	180.0°	179.9°
C12	C11	C10	H2	178.7°	179.9°
C11	C12	C14	H3	179.9°	179.7°
N2	C9	C10	C11	179.7°	180.0°
N2	C9	C10	H2	0.3°	0.0°
N2	C9	C15	H4	0.6°	0.0°
C9	C10	C11	H2	180.0°	180.0°
C9	C10	C11	H1	178.7°	180.0°
C10	C9	C15	H4	179.9°	179.7°
C10	C9	N2	H5	0.4°	32.8°
H1	C11	C10	H2	1.3°	0.0°
H3	C14	C15	H4	0.3°	0.0°
H8	N1	C3	H9	62.7°	61.7°
H9	C3	C4	H10	166.8°	171.4°
H9	C3	C4	H11	49.1°	68.6°
H10	C4	C5	H12	86.0°	65.9°
H11	C4	C5	H12	156.4°	174.0°
H12	C5	C7	H13	64.0°	180.0°
H12	C5	C7	H14	56.0°	60.0°
H12	C5	C7	H15	176.0°	59.9°
H12	C5	C6	H16	64.1°	54.4°
H12	C5	C6	H17	175.9°	65.6°
H12	C5	C6	H18	55.8°	174.4°
H13	C7	H14	H15	120.0°	120.0°
H16	C6	H17	H18	120.0°	120.0°

Release date:	2020-07-01
Definition date:	2020-03-12
Last modified:	2020-06-26
Release status:	REL
Processing site:	RCSB
Derived from:	6W4Y