GF3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C10	sing	1.47Å	1.46Å
N1	C11	sing	1.47Å	1.46Å
C10	C9	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.51Å
C9	C8	sing	1.53Å	1.52Å
C12	C8	sing	1.53Å	1.52Å
C8	O1	sing	1.44Å	1.44Å
C8	C4	sing	1.51Å	1.51Å
O1	C7	sing	1.44Å	1.44Å
C4	C3	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.39Å	1.38Å	Aromatic
C7	C5	sing	1.51Å	1.50Å
C3	C2	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C6	C1	sing	1.38Å	1.39Å	Aromatic
C6	H4	sing	1.08Å	1.08Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
N1	H11	sing	1.01Å	1.00Å
C3	H3	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	N1	C11	108.8°	111.2°
N1	C10	C9	112.2°	109.5°
N1	C10	H10	108.8°	109.5°
N1	C10	H9	108.8°	109.5°
C10	N1	H11	109.7°	111.0°
N1	C11	C12	109.7°	109.5°
N1	C11	H12	109.4°	109.5°
N1	C11	H13	109.4°	109.5°
C11	N1	H11	109.6°	111.0°
C10	C9	C8	113.0°	109.3°
C10	C9	H7	108.6°	109.5°
C10	C9	H8	108.6°	109.5°
C9	C10	H10	108.8°	109.5°
C9	C10	H9	108.8°	109.4°
C11	C12	C8	110.4°	109.3°
C12	C11	H12	109.4°	109.5°
C12	C11	H13	109.4°	109.5°
C11	C12	H15	109.3°	109.5°
C11	C12	H14	109.2°	109.5°
C9	C8	C12	109.7°	110.1°
C9	C8	O1	108.9°	110.0°
C9	C8	C4	112.6°	110.4°
C8	C9	H7	108.6°	109.5°
C8	C9	H8	108.6°	109.5°
C12	C8	O1	107.5°	109.9°
C12	C8	C4	114.3°	109.9°
C8	C12	H15	109.2°	109.4°
C8	C12	H14	109.2°	109.5°
O1	C8	C4	103.4°	106.4°
C8	O1	C7	106.4°	105.0°
C8	C4	C3	131.0°	132.9°
C8	C4	C5	108.1°	107.1°
O1	C7	C5	104.0°	106.0°
O1	C7	H6	110.8°	110.1°
O1	C7	H5	110.8°	110.2°
C3	C4	C5	120.8°	120.0°
C4	C3	C2	118.7°	120.0°
C4	C3	H3	120.7°	120.0°
C4	C5	C7	107.6°	107.3°
C4	C5	C6	120.8°	120.1°
C7	C5	C6	131.6°	132.6°
C5	C7	H6	110.8°	110.1°
C5	C7	H5	110.8°	110.2°
C3	C2	C1	120.2°	120.0°
C2	C3	H3	120.7°	120.0°
C3	C2	H2	119.9°	120.0°
C5	C6	C1	118.0°	119.9°
C5	C6	H4	121.0°	120.1°
C2	C1	C6	121.5°	120.0°
C2	C1	H1	119.3°	120.0°
C1	C2	H2	119.9°	120.0°
C1	C6	H4	121.0°	120.0°
C6	C1	H1	119.3°	120.0°
H12	C11	H13	109.5°	109.4°
H6	C7	H5	109.5°	110.1°
H7	C9	H8	109.5°	109.5°
H10	C10	H9	109.5°	109.5°
H15	C12	H14	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	N1	C11	H11	119.9°	124.1°
N1	C10	C9	H10	120.4°	120.0°
N1	C10	C9	H9	120.4°	120.0°
C10	N1	C11	C12	64.6°	62.1°
N1	C10	C9	C8	51.4°	58.5°
C10	N1	C11	H12	175.4°	57.9°
C10	N1	C11	H13	55.5°	177.8°
N1	C10	C9	H7	171.9°	61.4°
N1	C10	C9	H8	69.1°	178.5°
N1	C10	H10	H9	118.7°	120.0°
C11	N1	C10	C9	58.6°	62.1°
N1	C11	C12	H12	120.0°	120.1°
N1	C11	C12	H13	120.0°	120.0°
N1	C11	C12	C8	63.1°	58.6°
N1	C11	H12	H13	119.9°	120.0°
C11	N1	C10	H10	61.8°	177.9°
C11	N1	C10	H9	179.0°	57.9°
N1	C11	C12	H15	57.1°	61.3°
N1	C11	C12	H14	176.8°	178.6°
C10	C9	C8	H7	120.5°	119.9°
C10	C9	C8	H8	120.5°	120.0°
C10	C9	C8	C12	47.9°	56.6°
C10	C9	C8	O1	69.5°	64.7°
C10	C9	C8	C4	176.4°	178.2°
C10	C9	H7	H8	118.4°	120.1°
C9	C10	H10	H9	118.8°	119.9°
C9	C10	N1	H11	61.2°	62.0°
C11	C12	C8	C9	53.5°	56.6°
C11	C12	C8	H15	120.2°	119.9°
C11	C12	C8	H14	120.1°	120.0°
C11	C12	C8	O1	64.8°	64.7°
C11	C12	C8	C4	178.9°	178.5°
C12	C11	H12	H13	119.9°	120.0°
C11	C12	H15	H14	119.5°	120.2°
C12	C11	N1	H11	55.3°	62.0°
C9	C8	C12	O1	118.3°	121.3°
C9	C8	C12	C4	127.6°	121.8°
C9	C8	O1	C4	120.0°	119.6°
C9	C8	O1	C7	151.3°	147.4°
C9	C8	C4	C3	41.8°	43.3°
C9	C8	C4	C5	136.2°	136.4°
C8	C9	H7	H8	118.4°	120.1°
C8	C9	C10	H10	69.0°	178.5°
C8	C9	C10	H9	171.8°	61.5°
C9	C8	C12	H15	66.7°	63.3°
C9	C8	C12	H14	173.6°	176.6°
C12	C8	O1	C4	121.2°	119.0°
C12	C8	O1	C7	89.9°	91.2°
C12	C8	C4	C3	84.3°	78.4°
C12	C8	C4	C5	97.7°	101.9°
C8	C12	C11	H12	176.9°	61.5°
C8	C12	C11	H13	57.0°	178.6°
C12	C8	C9	H7	168.4°	63.3°
C12	C8	C9	H8	72.6°	176.6°
C8	C12	H15	H14	119.6°	120.1°
O1	C8	C4	C3	159.2°	162.6°
O1	C8	C4	C5	18.8°	17.1°
C8	O1	C7	C5	31.8°	27.9°
C8	O1	C7	H6	87.3°	147.0°
C8	O1	C7	H5	150.9°	91.3°
O1	C8	C9	H7	51.0°	175.4°
O1	C8	C9	H8	170.0°	55.3°
O1	C8	C12	H15	175.0°	175.4°
O1	C8	C12	H14	55.3°	55.3°
C4	C8	O1	C7	31.3°	27.8°
C8	C4	C3	C5	177.7°	179.7°
C8	C4	C5	C7	0.5°	0.3°
C8	C4	C3	C2	177.8°	179.6°
C8	C4	C5	C6	178.4°	179.7°
C4	C8	C9	H7	63.1°	58.2°
C4	C8	C9	H8	55.9°	61.8°
C4	C8	C12	H15	60.9°	58.5°
C4	C8	C12	H14	58.8°	61.5°
C8	C4	C3	H3	2.3°	0.4°
O1	C7	C5	C4	19.6°	17.5°
O1	C7	C5	H6	119.1°	119.1°
O1	C7	C5	H5	119.1°	119.2°
O1	C7	C5	C6	159.0°	162.5°
O1	C7	H6	H5	122.5°	121.7°
C3	C4	C5	C7	178.7°	179.9°
C4	C3	C2	H3	180.0°	179.9°
C3	C4	C5	C6	0.2°	0.0°
C4	C3	C2	C1	0.3°	0.1°
C4	C3	C2	H2	179.7°	180.0°
C4	C5	C7	C6	178.7°	179.9°
C5	C4	C3	C2	0.0°	0.0°
C4	C5	C6	C1	0.0°	0.0°
C4	C5	C6	H4	180.0°	179.9°
C4	C5	C7	H6	99.5°	136.6°
C4	C5	C7	H5	138.8°	101.7°
C5	C4	C3	H3	180.0°	179.9°
C7	C5	C6	C1	178.5°	179.9°
C7	C5	C6	H4	1.5°	0.2°
C5	C7	H6	H5	122.5°	121.7°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	C6	0.4°	0.1°
C3	C2	C1	H1	179.5°	180.0°
C5	C6	C1	C2	0.3°	0.1°
C5	C6	C1	H4	180.0°	180.0°
C6	C5	C7	H6	81.8°	43.4°
C6	C5	C7	H5	39.9°	78.3°
C5	C6	C1	H1	179.7°	180.0°
C2	C1	C6	H1	180.0°	179.9°
C2	C1	C6	H4	179.7°	179.9°
C1	C2	C3	H3	179.7°	179.9°
C6	C1	C2	H2	179.5°	180.0°
H4	C6	C1	H1	0.3°	0.0°
H12	C11	C12	H15	62.9°	178.6°
H12	C11	C12	H14	56.7°	58.5°
H12	C11	N1	H11	64.7°	178.0°
H13	C11	C12	H15	177.1°	58.7°
H13	C11	C12	H14	63.2°	61.4°
H13	C11	N1	H11	175.4°	58.0°
H7	C9	C10	H10	51.5°	58.6°
H7	C9	C10	H9	67.7°	178.5°
H8	C9	C10	H10	170.5°	61.5°
H8	C9	C10	H9	51.3°	58.5°
H10	C10	N1	H11	178.3°	58.0°
H9	C10	N1	H11	59.2°	178.0°
H3	C3	C2	H2	0.3°	0.0°
H1	C1	C2	H2	0.5°	0.1°

Release date:	2021-03-31
Definition date:	2020-08-26
Last modified:	2021-03-26
Release status:	REL
Processing site:	PDBJ
Derived from:	7CTY