J2F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C14	doub	1.38Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.42Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.40Å	Aromatic
C15	N2	sing	1.48Å	1.45Å
C15	C10	doub	1.38Å	1.43Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
O2	N2	doub	1.22Å	1.38Å
N2	O3	sing	1.22Å	1.45Å
C10	C9	sing	1.51Å	1.53Å
C9	O1	sing	1.43Å	1.41Å
O1	C6	sing	1.36Å	1.43Å
C6	C5	doub	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.39Å	1.42Å	Aromatic
C5	C4	sing	1.38Å	1.40Å	Aromatic
C7	C8	doub	1.38Å	1.41Å	Aromatic
C4	C3	doub	1.38Å	1.40Å	Aromatic
C8	C3	sing	1.38Å	1.41Å	Aromatic
C3	C2	sing	1.51Å	1.50Å
C	O	doub	1.21Å	1.26Å
C	CA	sing	1.51Å	1.50Å
CA	C2	sing	1.53Å	1.55Å
CA	N	sing	1.47Å	1.45Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
CA	HA	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	1.43Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	C12	120.5°	120.0°
C13	C14	C15	119.8°	120.0°
C14	C13	H8	119.7°	120.0°
C13	C14	H12	120.1°	120.0°
C13	C12	C11	119.7°	120.0°
C12	C13	H8	119.8°	120.0°
C13	C12	H11	120.2°	120.0°
C14	C15	N2	121.8°	120.0°
C14	C15	C10	119.8°	120.1°
C15	C14	H12	120.1°	120.0°
C12	C11	C10	119.6°	120.0°
C12	C11	H10	120.2°	120.0°
C11	C12	H11	120.1°	120.0°
N2	C15	C10	118.4°	120.0°
C15	N2	O2	120.1°	120.0°
C15	N2	O3	119.7°	120.0°
C15	C10	C11	120.6°	120.0°
C15	C10	C9	118.8°	120.0°
C11	C10	C9	120.6°	120.0°
C10	C11	H10	120.2°	120.1°
O2	N2	O3	120.2°	120.0°
C10	C9	O1	103.0°	109.5°
C10	C9	H16	111.0°	109.5°
C10	C9	H17	111.1°	109.4°
C9	O1	C6	116.7°	117.0°
O1	C9	H16	111.1°	109.5°
O1	C9	H17	111.0°	109.4°
O1	C6	C5	115.9°	120.0°
O1	C6	C7	122.9°	120.1°
C5	C6	C7	121.1°	119.9°
C6	C5	C4	119.6°	119.9°
C6	C5	H5	120.2°	120.0°
C6	C7	C8	119.3°	120.0°
C6	C7	H6	120.4°	120.0°
C5	C4	C3	120.2°	120.1°
C5	C4	H4	119.9°	120.0°
C4	C5	H5	120.2°	120.0°
C7	C8	C3	118.7°	120.1°
C8	C7	H6	120.4°	120.0°
C7	C8	H7	120.6°	120.0°
C4	C3	C8	121.1°	120.1°
C4	C3	C2	117.9°	120.0°
C3	C4	H4	119.9°	119.9°
C8	C3	C2	121.0°	120.0°
C3	C8	H7	120.7°	119.9°
C3	C2	CA	108.9°	109.5°
C3	C2	H14	109.6°	109.5°
C3	C2	H15	109.6°	109.5°
O	C	CA	121.2°	120.0°
O	C	OXT	120.1°	120.0°
C	CA	C2	111.4°	109.5°
C	CA	N	112.0°	109.5°
C	CA	HA	108.0°	109.4°
CA	C	OXT	117.0°	120.0°
C2	CA	N	109.3°	109.5°
C2	CA	HA	107.4°	109.5°
CA	C2	H14	109.6°	109.4°
CA	C2	H15	109.6°	109.4°
CA	N	H	109.5°	111.0°
CA	N	H2	109.4°	111.0°
N	CA	HA	108.6°	109.5°
H	N	H2	109.5°	111.0°
H14	C2	H15	109.5°	109.5°
H16	C9	H17	109.5°	109.5°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	C12	H8	180.0°	179.7°
C13	C14	C15	H12	180.0°	179.8°
C14	C13	C12	C11	0.1°	0.3°
C13	C14	C15	N2	179.9°	180.0°
C13	C14	C15	C10	0.3°	0.0°
C14	C13	C12	H11	179.9°	180.0°
C12	C13	C14	C15	0.0°	0.2°
C13	C12	C11	H11	180.0°	179.7°
C13	C12	C11	C10	0.4°	0.0°
C13	C12	C11	H10	179.6°	180.0°
C12	C13	C14	H12	180.0°	180.0°
C14	C15	N2	C10	179.9°	180.0°
C14	C15	C10	C11	0.6°	0.3°
C14	C15	N2	O2	57.4°	180.0°
C14	C15	N2	O3	123.4°	0.0°
C14	C15	C10	C9	179.8°	180.0°
C15	C14	C13	H8	180.0°	180.0°
C12	C11	C10	C15	0.6°	0.2°
C12	C11	C10	H10	180.0°	180.0°
C12	C11	C10	C9	179.8°	180.0°
C11	C12	C13	H8	179.9°	180.0°
N2	C15	C10	C11	179.6°	179.7°
C15	N2	O2	O3	179.2°	180.0°
N2	C15	C10	C9	0.3°	0.0°
N2	C15	C14	H12	0.1°	0.3°
C15	C10	C11	C9	179.2°	179.7°
C10	C15	N2	O2	122.7°	0.0°
C10	C15	N2	O3	56.5°	180.0°
C15	C10	C9	O1	137.1°	180.0°
C15	C10	C11	H10	179.4°	179.7°
C10	C15	C14	H12	179.8°	179.7°
C15	C10	C9	H16	103.9°	60.0°
C15	C10	C9	H17	18.2°	60.0°
C11	C10	C9	O1	42.1°	0.3°
C10	C11	C12	H11	179.6°	179.8°
C11	C10	C9	H16	76.9°	119.7°
C11	C10	C9	H17	161.0°	120.3°
C10	C9	O1	H16	118.9°	120.0°
C10	C9	O1	H17	119.0°	119.9°
C10	C9	O1	C6	170.1°	180.0°
C9	C10	C11	H10	0.2°	0.0°
C10	C9	H16	H17	123.0°	120.0°
C9	O1	C6	C5	147.3°	180.0°
C9	O1	C6	C7	33.4°	0.1°
O1	C9	H16	H17	123.0°	120.0°
O1	C6	C5	C7	179.2°	179.9°
O1	C6	C5	C4	179.5°	180.0°
O1	C6	C7	C8	179.7°	180.0°
O1	C6	C5	H5	0.5°	0.1°
O1	C6	C7	H6	0.3°	0.1°
C6	O1	C9	H16	71.0°	60.0°
C6	O1	C9	H17	51.1°	60.1°
C6	C5	C4	H5	180.0°	180.0°
C5	C6	C7	C8	0.5°	0.1°
C6	C5	C4	C3	0.4°	0.0°
C6	C5	C4	H4	179.6°	179.8°
C5	C6	C7	H6	179.5°	180.0°
C7	C6	C5	C4	0.3°	0.1°
C6	C7	C8	H6	180.0°	179.9°
C6	C7	C8	C3	0.1°	0.1°
C7	C6	C5	H5	179.7°	180.0°
C6	C7	C8	H7	179.9°	180.0°
C5	C4	C3	H4	180.0°	179.8°
C5	C4	C3	C8	0.8°	0.1°
C5	C4	C3	C2	179.2°	179.7°
C7	C8	C3	C4	0.6°	0.0°
C7	C8	C3	H7	180.0°	180.0°
C7	C8	C3	C2	178.9°	179.7°
C4	C3	C8	C2	178.3°	179.6°
C4	C3	C2	CA	91.8°	90.1°
C3	C4	C5	H5	179.6°	179.9°
C4	C3	C8	H7	179.5°	180.0°
C4	C3	C2	H14	28.1°	29.9°
C4	C3	C2	H15	148.3°	150.0°
C8	C3	C2	CA	86.6°	90.3°
C8	C3	C4	H4	179.2°	179.8°
C3	C8	C7	H6	179.9°	180.0°
C8	C3	C2	H14	153.5°	149.8°
C8	C3	C2	H15	33.3°	29.6°
C3	C2	CA	C	64.8°	175.0°
C3	C2	CA	H14	119.9°	120.0°
C3	C2	CA	H15	119.9°	120.0°
C3	C2	CA	N	171.0°	65.0°
C2	C3	C4	H4	0.8°	0.1°
C2	C3	C8	H7	1.1°	0.3°
C3	C2	CA	HA	53.3°	55.0°
C3	C2	H14	H15	120.3°	120.1°
O	C	CA	OXT	165.1°	180.0°
O	C	CA	C2	76.4°	100.0°
O	C	CA	N	46.4°	20.0°
O	C	CA	HA	165.9°	140.0°
O	C	OXT	HXT	0.0°	0.1°
C	CA	C2	N	124.2°	120.0°
C	CA	C2	HA	118.1°	120.0°
C	CA	N	HA	119.1°	120.0°
C	CA	N	H	180.0°	60.0°
C	CA	N	H2	60.0°	176.0°
C	CA	C2	H14	55.1°	65.0°
C	CA	C2	H15	175.3°	55.0°
CA	C	OXT	HXT	165.3°	180.0°
C2	CA	N	HA	116.9°	120.0°
C2	CA	N	H	56.1°	60.0°
C2	CA	N	H2	176.1°	64.0°
CA	C2	H14	H15	120.3°	119.9°
C2	CA	C	OXT	118.5°	80.0°
CA	N	H	H2	120.0°	124.0°
N	CA	C2	H14	69.1°	55.0°
N	CA	C2	H15	51.0°	175.0°
N	CA	C	OXT	118.8°	160.0°
H	N	CA	HA	60.8°	180.0°
H2	N	CA	HA	59.1°	56.1°
H4	C4	C5	H5	0.4°	0.2°
H6	C7	C8	H7	0.1°	0.0°
H8	C13	C12	H11	0.1°	0.3°
H8	C13	C14	H12	0.0°	0.3°
HA	CA	C2	H14	173.2°	175.0°
HA	CA	C2	H15	66.6°	65.0°
HA	CA	C	OXT	0.7°	40.0°
H10	C11	C12	H11	0.4°	0.3°

Release date:	2022-09-21
Definition date:	2022-08-04
Last modified:	2023-11-03
Release status:	REL
Processing site:	PDBJ
Derived from:	7YNU