9CF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C12	sing	1.53Å	1.52Å
C13	C12	sing	1.53Å	1.50Å
C13	C14	sing	1.53Å	1.51Å
C12	O5	sing	1.43Å	1.43Å
C14	C15	sing	1.53Å	1.50Å
O5	C11	sing	1.43Å	1.43Å
C15	C11	sing	1.53Å	1.52Å
C11	C10	sing	1.53Å	1.52Å
C10	C7	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.53Å
C6	C5	sing	1.51Å	1.39Å
C7	O3	sing	1.46Å	1.44Å
C4	C5	doub	1.37Å	1.39Å	Aromatic
C4	C3	sing	1.39Å	1.38Å	Aromatic
C5	C9	sing	1.40Å	1.40Å	Aromatic
O3	C8	sing	1.36Å	1.36Å
O2	C3	sing	1.36Å	1.34Å
C3	C2	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.48Å	1.40Å
C9	C1	doub	1.40Å	1.39Å	Aromatic
C8	O4	doub	1.22Å	1.23Å
C2	C1	sing	1.39Å	1.39Å	Aromatic
C1	O1	sing	1.36Å	1.35Å
C15	H1	sing	1.09Å	1.10Å
C15	H2	sing	1.09Å	1.10Å
C14	H3	sing	1.09Å	1.10Å
C14	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C16	H8	sing	1.09Å	1.10Å
C16	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C6	H15	sing	1.09Å	1.10Å
C6	H16	sing	1.09Å	1.10Å
C4	H17	sing	1.08Å	1.08Å
O2	H18	sing	0.97Å	0.95Å
C2	H19	sing	1.08Å	1.08Å
O1	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C12	C13	108.2°	109.5°
C16	C12	O5	107.3°	109.5°
C16	C12	H7	110.1°	109.4°
C12	C16	H8	109.5°	109.4°
C12	C16	H9	109.5°	109.5°
C12	C16	H10	109.4°	109.5°
C12	C13	C14	108.5°	109.2°
C13	C12	O5	109.1°	109.4°
C12	C13	H5	109.7°	109.5°
C12	C13	H6	109.7°	109.6°
C13	C12	H7	110.5°	109.5°
C13	C14	C15	111.3°	109.0°
C13	C14	H3	109.0°	109.5°
C13	C14	H4	109.0°	109.7°
C14	C13	H5	109.7°	109.5°
C14	C13	H6	109.7°	109.5°
C12	O5	C11	118.3°	114.0°
O5	C12	H7	111.5°	109.6°
C14	C15	C11	111.2°	109.2°
C14	C15	H1	109.0°	109.5°
C14	C15	H2	109.0°	109.5°
C15	C14	H3	109.0°	109.5°
C15	C14	H4	109.0°	109.5°
O5	C11	C15	113.8°	109.4°
O5	C11	C10	101.5°	109.4°
O5	C11	H11	112.6°	109.5°
C15	C11	C10	106.0°	109.5°
C11	C15	H1	109.1°	109.6°
C11	C15	H2	109.1°	109.6°
C15	C11	H11	111.2°	109.5°
C11	C10	C7	113.0°	109.5°
C10	C11	H11	111.1°	109.5°
C11	C10	H12	108.6°	109.5°
C11	C10	H13	108.6°	109.4°
C10	C7	C6	106.8°	109.5°
C10	C7	O3	109.5°	109.5°
C7	C10	H12	108.6°	109.5°
C7	C10	H13	108.6°	109.5°
C10	C7	H14	108.7°	109.5°
C7	C6	C5	113.2°	110.3°
C6	C7	O3	113.1°	109.3°
C6	C7	H14	108.7°	109.5°
C7	C6	H15	108.5°	109.3°
C7	C6	H16	108.5°	109.3°
C6	C5	C4	117.1°	119.8°
C6	C5	C9	122.8°	120.6°
C5	C6	H15	108.5°	109.4°
C5	C6	H16	108.5°	109.3°
C7	O3	C8	115.6°	114.5°
O3	C7	H14	109.9°	109.5°
C5	C4	C3	120.3°	120.4°
C4	C5	C9	120.1°	119.6°
C5	C4	H17	119.8°	119.8°
C4	C3	O2	118.5°	119.8°
C4	C3	C2	120.8°	120.5°
C3	C4	H17	119.9°	119.8°
C5	C9	C8	120.6°	119.5°
C5	C9	C1	118.5°	120.2°
O3	C8	C9	115.3°	117.2°
O3	C8	O4	122.8°	121.4°
O2	C3	C2	120.7°	119.7°
C3	O2	H18	109.5°	114.0°
C3	C2	C1	118.7°	119.8°
C3	C2	H19	120.6°	120.1°
C8	C9	C1	120.9°	120.3°
C9	C8	O4	122.0°	121.5°
C9	C1	C2	121.6°	119.5°
C9	C1	O1	116.4°	120.3°
C2	C1	O1	121.9°	120.3°
C1	C2	H19	120.7°	120.1°
C1	O1	H20	109.5°	114.0°
H1	C15	H2	109.4°	109.5°
H3	C14	H4	109.5°	109.6°
H5	C13	H6	109.5°	109.5°
H8	C16	H9	109.5°	109.5°
H8	C16	H10	109.5°	109.4°
H9	C16	H10	109.5°	109.5°
H12	C10	H13	109.4°	109.5°
H15	C6	H16	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C12	C13	O5	116.4°	120.0°
C16	C12	C13	H7	120.6°	120.0°
C16	C12	C13	C14	176.0°	177.6°
C16	C12	O5	H7	120.7°	120.0°
C16	C12	O5	C11	171.2°	178.8°
C16	C12	C13	H5	56.1°	62.5°
C16	C12	C13	H6	64.2°	57.7°
C12	C16	H8	H9	120.0°	120.0°
C12	C16	H8	H10	120.0°	119.9°
C12	C16	H9	H10	120.0°	120.1°
C12	C13	C14	H5	119.8°	119.9°
C12	C13	C14	H6	119.9°	120.0°
C13	C12	O5	H7	122.3°	120.0°
C12	C13	C14	C15	60.7°	57.0°
C13	C12	O5	C11	54.3°	61.2°
C12	C13	C14	H3	179.0°	62.8°
C12	C13	C14	H4	59.6°	176.9°
C12	C13	H5	H6	120.5°	120.2°
C13	C12	C16	H8	180.0°	60.0°
C13	C12	C16	H9	60.0°	180.0°
C13	C12	C16	H10	60.0°	59.9°
C14	C13	C12	O5	59.6°	57.7°
C13	C14	C15	H3	120.3°	119.8°
C13	C14	C15	H4	120.3°	120.0°
C13	C14	C15	C11	51.2°	57.0°
C13	C14	C15	H1	69.0°	62.9°
C13	C14	C15	H2	171.5°	177.0°
C13	C14	H3	H4	119.1°	120.3°
C14	C13	H5	H6	120.5°	120.1°
C14	C13	C12	H7	63.4°	62.4°
C12	O5	C11	C15	45.6°	61.2°
C12	O5	C11	C10	159.1°	178.9°
O5	C12	C13	H5	60.3°	177.5°
O5	C12	C13	H6	179.4°	62.3°
O5	C12	C16	H8	62.4°	60.0°
O5	C12	C16	H9	177.6°	60.0°
O5	C12	C16	H10	57.6°	179.9°
C12	O5	C11	H11	82.1°	58.8°
C14	C15	C11	O5	42.2°	57.7°
C14	C15	C11	H1	120.3°	119.9°
C14	C15	C11	H2	120.3°	120.0°
C14	C15	C11	C10	152.8°	177.6°
C14	C15	H1	H2	119.2°	120.1°
C15	C14	H3	H4	119.2°	120.2°
C15	C14	C13	H5	59.2°	176.9°
C15	C14	C13	H6	179.5°	63.0°
C14	C15	C11	H11	86.3°	62.4°
O5	C11	C15	C10	110.7°	119.9°
O5	C11	C15	H11	128.4°	120.0°
O5	C11	C10	H11	119.9°	120.0°
O5	C11	C10	C7	100.9°	65.1°
O5	C11	C15	H1	78.1°	62.2°
O5	C11	C15	H2	162.4°	177.6°
C11	O5	C12	H7	68.1°	58.9°
O5	C11	C10	H12	19.7°	55.0°
O5	C11	C10	H13	138.6°	175.0°
C15	C11	C10	H11	120.9°	120.0°
C15	C11	C10	C7	140.0°	175.0°
C11	C15	H1	H2	119.2°	120.2°
C11	C15	C14	H3	171.5°	62.8°
C11	C15	C14	H4	69.0°	177.0°
C15	C11	C10	H12	99.5°	65.0°
C15	C11	C10	H13	19.4°	55.0°
C11	C10	C7	H12	120.5°	120.0°
C11	C10	C7	H13	120.5°	120.0°
C11	C10	C7	C6	117.1°	175.2°
C11	C10	C7	O3	5.7°	65.0°
C10	C11	C15	H1	32.6°	57.7°
C10	C11	C15	H2	86.9°	62.5°
C11	C10	H12	H13	118.4°	120.0°
C11	C10	C7	H14	125.7°	55.1°
C10	C7	C6	O3	120.5°	119.9°
C10	C7	C6	H14	117.2°	120.1°
C10	C7	C6	C5	150.9°	169.7°
C10	C7	O3	H14	119.3°	120.1°
C10	C7	O3	C8	170.5°	177.3°
C7	C10	C11	H11	19.0°	55.0°
C7	C10	H12	H13	118.4°	120.0°
C10	C7	C6	H15	30.4°	49.5°
C10	C7	C6	H16	88.5°	70.0°
C7	C6	C5	H15	120.6°	120.2°
C7	C6	C5	H16	120.5°	120.2°
C6	C7	O3	H14	121.7°	119.9°
C7	C6	C5	C4	173.8°	158.9°
C7	C6	C5	C9	6.8°	21.1°
C6	C7	O3	C8	51.5°	62.7°
C6	C7	C10	H12	3.4°	64.8°
C6	C7	C10	H13	122.4°	55.2°
C7	C6	H15	H16	118.3°	119.6°
C5	C6	C7	O3	30.4°	49.8°
C6	C5	C4	C9	179.4°	180.0°
C6	C5	C4	C3	179.5°	179.8°
C6	C5	C9	C8	0.9°	0.3°
C6	C5	C9	C1	179.1°	179.8°
C5	C6	C7	H14	91.9°	70.2°
C5	C6	H15	H16	118.3°	119.6°
C6	C5	C4	H17	0.5°	0.1°
C7	O3	C8	C9	45.8°	41.8°
C7	O3	C8	O4	134.2°	138.3°
O3	C7	C10	H12	126.2°	55.0°
O3	C7	C10	H13	114.9°	175.0°
O3	C7	C6	H15	90.1°	70.5°
O3	C7	C6	H16	151.0°	170.0°
C5	C4	C3	H17	180.0°	179.9°
C5	C4	C3	O2	180.0°	180.0°
C5	C4	C3	C2	0.2°	0.1°
C4	C5	C9	C8	179.7°	179.7°
C4	C5	C9	C1	0.2°	0.2°
C4	C5	C6	H15	65.6°	80.9°
C4	C5	C6	H16	53.2°	38.7°
C3	C4	C5	C9	0.1°	0.2°
C4	C3	O2	C2	179.8°	179.9°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	O2	H18	180.0°	89.9°
C4	C3	C2	H19	180.0°	179.9°
C5	C9	C8	O3	20.1°	9.6°
C5	C9	C8	C1	179.9°	179.9°
C5	C9	C8	O4	160.0°	170.4°
C5	C9	C1	C2	0.4°	0.2°
C5	C9	C1	O1	179.7°	179.8°
C9	C5	C6	H15	113.8°	99.1°
C9	C5	C6	H16	127.4°	141.4°
C9	C5	C4	H17	179.9°	180.0°
O3	C8	C9	O4	180.0°	180.0°
O3	C8	C9	C1	160.0°	170.5°
C8	O3	C7	H14	70.2°	57.2°
O2	C3	C2	C1	179.8°	180.0°
O2	C3	C4	H17	0.0°	0.1°
O2	C3	C2	H19	0.2°	0.1°
C3	C2	C1	C9	0.3°	0.1°
C3	C2	C1	H19	180.0°	179.9°
C3	C2	C1	O1	179.5°	179.9°
C2	C3	C4	H17	179.8°	179.9°
C2	C3	O2	H18	0.2°	90.0°
C8	C9	C1	C2	179.5°	179.7°
C8	C9	C1	O1	0.2°	0.3°
C1	C9	C8	O4	20.0°	9.5°
C9	C1	C2	O1	179.3°	180.0°
C9	C1	C2	H19	179.7°	180.0°
C9	C1	O1	H20	8.1°	90.0°
C2	C1	O1	H20	171.2°	90.0°
O1	C1	C2	H19	0.4°	0.1°
H1	C15	C14	H3	51.2°	177.2°
H1	C15	C14	H4	170.7°	57.0°
H1	C15	C11	H11	153.5°	177.7°
H2	C15	C14	H3	68.2°	57.1°
H2	C15	C14	H4	51.3°	63.1°
H2	C15	C11	H11	34.0°	57.6°
H3	C14	C13	H5	61.1°	57.1°
H3	C14	C13	H6	59.2°	177.2°
H4	C14	C13	H5	179.4°	63.2°
H4	C14	C13	H6	60.2°	56.9°
H5	C13	C12	H7	176.8°	57.4°
H6	C13	C12	H7	56.5°	177.6°
H7	C12	C16	H8	59.1°	179.9°
H7	C12	C16	H9	60.9°	60.0°
H7	C12	C16	H10	179.1°	60.0°
H8	C16	H9	H10	120.0°	120.0°
H11	C11	C10	H12	139.6°	175.0°
H11	C11	C10	H13	101.5°	65.0°
H12	C10	C7	H14	113.7°	175.1°
H13	C10	C7	H14	5.2°	64.9°
H14	C7	C6	H15	147.5°	169.6°
H14	C7	C6	H16	28.6°	50.1°

Release date:	2018-06-27
Definition date:	2018-03-14
Last modified:	2018-06-22
Release status:	REL
Processing site:	RCSB
Derived from:	5ZH3