JVN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F7	C1	sing	1.35Å	1.35Å
C1	C6	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.39Å	Aromatic
C5	C8	sing	1.51Å	1.53Å
C5	C4	doub	1.39Å	1.41Å	Aromatic
C8	O12	sing	1.44Å	1.46Å
C8	C10	sing	1.53Å	1.55Å
O12	C13	sing	1.43Å	1.46Å
C3	C4	sing	1.39Å	1.40Å	Aromatic
C4	N9	sing	1.40Å	1.42Å
C10	C15	sing	1.54Å	1.56Å
C13	C14	sing	1.53Å	1.55Å
N9	C15	sing	1.47Å	1.49Å
C15	C14	sing	1.53Å	1.55Å
C14	O17	sing	1.43Å	1.43Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
O17	H10	sing	0.97Å	0.95Å
C6	H11	sing	1.08Å	1.08Å
N9	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F7	C1	C6	119.6°	119.9°
F7	C1	C2	119.7°	120.0°
C6	C1	C2	120.6°	120.1°
C1	C6	C5	119.7°	120.2°
C1	C6	H11	120.1°	119.9°
C1	C2	C3	120.0°	120.0°
C1	C2	H1	120.0°	120.0°
C6	C5	C8	119.5°	119.1°
C6	C5	C4	119.9°	119.8°
C5	C6	H11	120.1°	119.9°
C2	C3	C4	119.9°	120.0°
C3	C2	H1	120.0°	120.0°
C2	C3	H2	120.1°	120.0°
C8	C5	C4	120.5°	121.1°
C5	C8	O12	109.5°	107.6°
C5	C8	C10	109.3°	109.4°
C5	C8	H3	110.2°	111.1°
C5	C4	C3	119.8°	119.9°
C5	C4	N9	120.7°	120.9°
O12	C8	C10	106.4°	107.9°
C8	O12	C13	120.1°	112.6°
O12	C8	H3	111.3°	110.3°
C8	C10	C15	108.7°	108.1°
C10	C8	H3	110.0°	110.3°
C8	C10	H4	109.6°	109.7°
C8	C10	H5	109.7°	109.8°
O12	C13	C14	112.5°	109.5°
O12	C13	H6	108.7°	109.5°
O12	C13	H7	108.7°	109.4°
C3	C4	N9	119.5°	119.2°
C4	C3	H2	120.0°	120.0°
C4	N9	C15	121.2°	119.7°
C4	N9	H12	106.4°	120.2°
C10	C15	N9	108.4°	108.2°
C10	C15	C14	110.2°	109.6°
C15	C10	H4	109.7°	109.7°
C15	C10	H5	109.6°	109.7°
C10	C15	H9	108.6°	109.4°
C13	C14	C15	111.7°	110.2°
C13	C14	O17	108.9°	109.3°
C14	C13	H6	108.7°	109.5°
C14	C13	H7	108.7°	109.4°
C13	C14	H8	108.4°	109.3°
N9	C15	C14	111.4°	110.5°
N9	C15	H9	109.5°	109.5°
C15	N9	H12	106.5°	120.2°
C15	C14	O17	109.5°	109.4°
C15	C14	H8	108.3°	109.3°
C14	C15	H9	108.7°	109.5°
O17	C14	H8	109.9°	109.4°
C14	O17	H10	109.5°	114.0°
H4	C10	H5	109.5°	109.8°
H6	C13	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F7	C1	C6	C2	178.1°	179.8°
F7	C1	C6	C5	179.3°	179.7°
F7	C1	C2	C3	179.4°	179.9°
F7	C1	C2	H1	0.6°	0.1°
F7	C1	C6	H11	0.8°	0.3°
C1	C6	C5	H11	180.0°	179.9°
C6	C1	C2	C3	2.5°	0.2°
C1	C6	C5	C8	176.8°	179.6°
C1	C6	C5	C4	0.6°	0.3°
C6	C1	C2	H1	177.4°	179.9°
C2	C1	C6	C5	1.2°	0.1°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	C4	2.0°	0.2°
C1	C2	C3	H2	178.0°	179.9°
C2	C1	C6	H11	178.8°	180.0°
C6	C5	C8	C4	176.2°	179.9°
C6	C5	C8	O12	88.2°	88.0°
C6	C5	C8	C10	155.6°	155.0°
C6	C5	C4	C3	1.1°	0.4°
C6	C5	C4	N9	177.5°	179.2°
C6	C5	C8	H3	34.6°	32.9°
C2	C3	C4	C5	0.2°	0.1°
C2	C3	C4	H2	180.0°	179.9°
C2	C3	C4	N9	178.9°	179.5°
C5	C8	O12	C10	118.0°	118.0°
C5	C8	O12	H3	122.2°	121.4°
C5	C8	C10	H3	121.2°	122.6°
C5	C8	O12	C13	61.1°	52.3°
C8	C5	C4	C3	177.2°	179.5°
C8	C5	C4	N9	1.4°	0.9°
C5	C8	C10	C15	57.2°	55.4°
C5	C8	C10	H4	177.0°	174.9°
C5	C8	C10	H5	62.7°	64.3°
C8	C5	C6	H11	3.2°	0.4°
C4	C5	C8	O12	87.9°	91.9°
C4	C5	C8	C10	28.2°	25.1°
C5	C4	C3	N9	178.7°	179.6°
C5	C4	N9	C15	5.3°	9.2°
C5	C4	C3	H2	179.8°	179.8°
C4	C5	C8	H3	149.2°	147.2°
C4	C5	C6	H11	179.4°	179.7°
C5	C4	N9	H12	116.4°	170.8°
O12	C8	C10	H3	120.7°	120.6°
O12	C8	C10	C15	60.9°	61.4°
C8	O12	C13	C14	47.9°	62.3°
O12	C8	C10	H4	58.9°	58.1°
O12	C8	C10	H5	179.2°	179.0°
C8	O12	C13	H6	72.5°	177.6°
C8	O12	C13	H7	168.4°	57.7°
C10	C8	O12	C13	56.8°	65.6°
C8	C10	C15	H4	119.9°	119.6°
C8	C10	C15	H5	119.9°	119.7°
C8	C10	C15	N9	60.6°	63.3°
C8	C10	C15	C14	61.7°	57.3°
C8	C10	H4	H5	120.4°	120.8°
C8	C10	C15	H9	179.4°	177.4°
O12	C13	C14	H6	120.5°	120.1°
O12	C13	C14	H7	120.5°	120.0°
O12	C13	C14	C15	42.2°	55.3°
O12	C13	C14	O17	79.0°	64.9°
C13	O12	C8	H3	176.7°	173.7°
O12	C13	H6	H7	118.6°	119.9°
O12	C13	C14	H8	161.4°	175.4°
C3	C4	N9	C15	173.4°	171.2°
C4	C3	C2	H1	178.0°	179.9°
C3	C4	N9	H12	65.0°	8.8°
C4	N9	C15	C10	35.0°	40.5°
C4	N9	C15	H12	121.6°	180.0°
C4	N9	C15	C14	86.5°	79.5°
N9	C4	C3	H2	1.1°	0.6°
C4	N9	C15	H9	153.3°	159.8°
C10	C15	C14	C13	51.2°	54.4°
C10	C15	N9	C14	121.5°	120.0°
C10	C15	N9	H9	118.3°	119.3°
C10	C15	C14	H9	118.9°	120.1°
C10	C15	C14	O17	69.5°	65.8°
C15	C10	C8	H3	178.3°	177.9°
C15	C10	H4	H5	120.3°	120.7°
C10	C15	C14	H8	170.5°	174.5°
C10	C15	N9	H12	86.6°	139.5°
C13	C14	C15	N9	69.2°	64.8°
C13	C14	C15	O17	120.8°	120.2°
C13	C14	C15	H8	119.3°	120.1°
C13	C14	O17	H8	118.6°	119.7°
C14	C13	H6	H7	118.6°	120.0°
C13	C14	C15	H9	170.1°	174.5°
C13	C14	O17	H10	180.0°	60.0°
N9	C15	C14	H9	120.7°	120.7°
N9	C15	C14	O17	170.1°	175.0°
N9	C15	C10	H4	179.6°	177.1°
N9	C15	C10	H5	59.3°	56.4°
N9	C15	C14	H8	50.1°	55.3°
C15	C14	O17	H8	118.9°	119.6°
C14	C15	C10	H4	58.2°	62.3°
C14	C15	C10	H5	178.5°	176.9°
C15	C14	C13	H6	78.3°	175.4°
C15	C14	C13	H7	162.6°	64.6°
C15	C14	O17	H10	57.6°	179.3°
C14	C15	N9	H12	151.9°	100.5°
O17	C14	C13	H6	160.6°	55.2°
O17	C14	C13	H7	41.5°	175.2°
O17	C14	C15	H9	49.3°	54.3°
H1	C2	C3	H2	2.1°	0.1°
H3	C8	C10	H4	61.8°	62.5°
H3	C8	C10	H5	58.5°	58.3°
H4	C10	C15	H9	60.7°	57.8°
H5	C10	C15	H9	59.5°	62.9°
H6	C13	C14	H8	41.0°	64.5°
H7	C13	C14	H8	78.1°	55.5°
H8	C14	C15	H9	70.6°	65.4°
H8	C14	O17	H10	61.3°	59.7°
H9	C15	N9	H12	31.6°	20.2°

Release date:	2019-11-27
Definition date:	2019-04-04
Last modified:	2019-11-22
Release status:	REL
Processing site:	RCSB
Derived from:	6R9S