BXF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.44Å
C1	O5	sing	1.43Å	1.46Å
C2	F	sing	1.40Å	1.34Å
C2	C3	sing	1.53Å	1.51Å
C3	O3	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.47Å
C4	C5	sing	1.53Å	1.46Å
C5	O5	sing	1.43Å	1.34Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	112.8°	109.5°
O1	C1	O5	111.0°	109.5°
O1	C1	H1	109.1°	109.4°
C1	O1	HO1	109.5°	114.0°
C2	C1	O5	106.7°	109.4°
C1	C2	F	110.8°	109.5°
C1	C2	C3	110.9°	109.1°
C2	C1	H1	108.7°	109.5°
C1	C2	H2	108.4°	109.6°
C1	O5	C5	117.4°	114.1°
O5	C1	H1	108.4°	109.5°
F	C2	C3	109.3°	109.5°
F	C2	H2	109.8°	109.5°
C2	C3	O3	111.8°	109.5°
C2	C3	C4	113.2°	109.0°
C3	C2	H2	107.5°	109.6°
C2	C3	H3	108.5°	109.6°
O3	C3	C4	106.2°	109.6°
O3	C3	H3	109.3°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	127.4°	109.5°
C3	C4	C5	110.6°	109.2°
C4	C3	H3	107.9°	109.6°
C3	C4	H4	107.5°	109.5°
O4	C4	C5	92.3°	109.6°
O4	C4	H4	108.6°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	106.2°	109.4°
C5	C4	H4	108.6°	109.6°
C4	C5	H51	110.3°	109.5°
C4	C5	H52	110.3°	109.5°
O5	C5	H51	110.3°	109.4°
O5	C5	H52	110.3°	109.5°
H51	C5	H52	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	122.2°	120.0°
O1	C1	C2	H1	121.1°	120.0°
O1	C1	O5	H1	119.9°	120.0°
O1	C1	C2	F	64.5°	62.5°
O1	C1	C2	C3	173.9°	177.6°
O1	C1	O5	C5	168.4°	178.9°
O1	C1	C2	H2	56.0°	57.6°
C2	C1	O5	H1	116.9°	120.0°
C1	C2	F	C3	122.6°	119.6°
C1	C2	F	H2	119.7°	120.1°
C1	C2	C3	H2	118.4°	120.0°
C1	C2	C3	O3	166.5°	176.9°
C1	C2	C3	C4	46.7°	57.0°
C2	C1	O5	C5	68.3°	61.2°
C1	C2	C3	H3	73.0°	63.0°
C2	C1	O1	HO1	180.0°	180.0°
O5	C1	C2	F	173.3°	177.5°
O5	C1	C2	C3	51.7°	57.6°
C1	O5	C5	C4	68.2°	61.1°
O5	C1	C2	H2	66.2°	62.4°
C1	O5	C5	H51	51.3°	58.9°
C1	O5	C5	H52	172.3°	178.8°
O5	C1	O1	HO1	60.3°	60.0°
F	C2	C3	H2	119.1°	120.1°
F	C2	C3	O3	71.0°	63.3°
F	C2	C3	C4	169.2°	176.9°
F	C2	C1	H1	56.5°	57.5°
F	C2	C3	H3	49.5°	56.9°
C2	C3	O3	C4	123.8°	119.5°
C2	C3	O3	H3	120.1°	120.2°
C2	C3	C4	H3	120.0°	119.9°
C2	C3	C4	O4	156.6°	176.9°
C2	C3	C4	C5	46.7°	57.0°
C3	C2	C1	H1	65.1°	62.4°
C2	C3	C4	H4	71.8°	63.0°
C2	C3	O3	HO3	180.0°	60.0°
O3	C3	C4	H3	117.0°	120.2°
O3	C3	C4	O4	80.4°	63.2°
O3	C3	C4	C5	169.6°	176.8°
O3	C3	C2	H2	48.1°	56.9°
O3	C3	C4	H4	51.2°	56.9°
C3	C4	O4	C5	118.3°	119.7°
C3	C4	O4	H4	131.1°	120.1°
C3	C4	C5	H4	117.8°	119.9°
C3	C4	C5	O5	53.4°	57.6°
C4	C3	C2	H2	71.7°	63.0°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	H51	66.1°	62.4°
C3	C4	C5	H52	172.9°	177.6°
C4	C3	O3	HO3	56.2°	179.5°
O4	C4	C5	H4	110.5°	120.2°
O4	C4	C5	O5	174.9°	177.5°
O4	C4	C3	H3	36.6°	57.0°
O4	C4	C5	H51	65.6°	57.5°
O4	C4	C5	H52	55.4°	62.5°
C4	C5	O5	H51	119.5°	120.0°
C4	C5	O5	H52	119.5°	120.0°
C5	C4	C3	H3	73.4°	62.9°
C5	C4	O4	HO4	61.7°	60.3°
C4	C5	H51	H52	121.5°	120.0°
C5	O5	C1	H1	48.6°	58.9°
O5	C5	C4	H4	64.4°	62.3°
O5	C5	H51	H52	121.5°	120.0°
H1	C1	C2	H2	177.1°	177.6°
H1	C1	O1	HO1	59.2°	60.0°
H2	C2	C3	H3	168.6°	177.0°
H3	C3	C4	H4	168.2°	177.1°
H3	C3	O3	HO3	59.9°	60.2°
H4	C4	O4	HO4	48.9°	60.0°
H4	C4	C5	H51	176.2°	177.7°
H4	C4	C5	H52	55.1°	57.7°

Release date:	2013-03-06
Definition date:	2012-03-09
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ
Derived from:	3VPL