IF7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C2	doub	1.21Å	1.23Å
C2	C3	sing	1.50Å	1.52Å
C2	N	sing	1.33Å	1.33Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.53Å
C4	O2	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.51Å
C5	C1	sing	1.53Å	1.54Å
C6	O1	sing	1.43Å	1.41Å
C1	N	sing	1.46Å	1.47Å
C3	H3	sing	1.09Å	1.10Å
N	H	sing	0.97Å	1.00Å
O3	HA	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O2	H2	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61C	sing	1.09Å	1.10Å
C6	H62C	sing	1.09Å	1.10Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C2	C3	116.3°	118.3°
O	C2	N	122.1°	118.2°
C3	C2	N	121.6°	123.5°
C2	C3	O3	110.3°	109.4°
C2	C3	C4	111.9°	109.9°
C2	C3	H3	107.6°	109.3°
C2	N	C1	125.1°	124.1°
C2	N	H	117.5°	117.9°
O3	C3	C4	110.4°	109.4°
O3	C3	H3	109.0°	109.4°
C3	O3	HA	109.5°	114.0°
C3	C4	O2	109.6°	109.7°
C3	C4	C5	110.7°	108.4°
C4	C3	H3	107.6°	109.4°
C3	C4	H4	108.2°	109.6°
O2	C4	C5	110.7°	109.7°
O2	C4	H4	109.5°	109.7°
C4	O2	H2	109.5°	114.0°
C4	C5	C6	112.0°	109.6°
C4	C5	C1	110.0°	108.6°
C5	C4	H4	108.2°	109.7°
C4	C5	H5	108.5°	109.6°
C6	C5	C1	109.0°	109.6°
C5	C6	O1	110.9°	109.5°
C6	C5	H5	108.8°	109.7°
C5	C6	H61C	109.1°	109.5°
C5	C6	H62C	109.1°	109.5°
C5	C1	N	112.9°	110.5°
C1	C5	H5	108.5°	109.7°
C5	C1	H11C	108.6°	109.3°
C5	C1	H12C	108.6°	109.4°
O1	C6	H61C	109.1°	109.4°
O1	C6	H62C	109.1°	109.5°
C6	O1	H1	109.5°	114.0°
C1	N	H	117.5°	118.0°
N	C1	H11C	108.6°	109.4°
N	C1	H12C	108.6°	109.1°
H61C	C6	H62C	109.5°	109.5°
H11C	C1	H12C	109.4°	109.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C2	C3	N	178.2°	179.7°
O	C2	C3	O3	40.3°	42.2°
O	C2	C3	C4	163.5°	162.4°
O	C2	N	C1	179.6°	178.0°
O	C2	C3	H3	78.5°	77.6°
O	C2	N	H	0.3°	2.1°
C2	C3	O3	C4	124.1°	120.4°
C2	C3	O3	H3	118.0°	119.8°
C2	C3	C4	H3	118.0°	120.1°
C2	C3	C4	O2	75.3°	70.9°
C2	C3	C4	C5	47.0°	48.9°
C3	C2	N	C1	2.3°	1.7°
C3	C2	N	H	177.8°	178.2°
C2	C3	O3	HA	17.8°	60.0°
C2	C3	C4	H4	165.3°	168.6°
N	C2	C3	O3	141.5°	137.5°
N	C2	C3	C4	18.3°	17.3°
C2	N	C1	C5	15.5°	18.6°
C2	N	C1	H	180.0°	179.9°
N	C2	C3	H3	99.7°	102.8°
C2	N	C1	H11C	136.0°	139.0°
C2	N	C1	H12C	105.1°	101.6°
O3	C3	C4	H3	118.8°	119.8°
O3	C3	C4	O2	47.9°	49.3°
O3	C3	C4	C5	170.2°	169.1°
O3	C3	C4	H4	71.5°	71.2°
C3	C4	O2	C5	122.3°	119.0°
C3	C4	O2	H4	118.5°	120.5°
C3	C4	C5	H4	118.3°	119.7°
C3	C4	C5	C6	178.0°	172.7°
C3	C4	C5	C1	60.7°	67.6°
C4	C3	O3	HA	141.9°	179.6°
C3	C4	O2	H2	180.0°	60.0°
C3	C4	C5	H5	57.9°	52.3°
O2	C4	C5	H4	120.0°	120.5°
O2	C4	C5	C6	60.4°	67.5°
O2	C4	C5	C1	61.0°	52.2°
O2	C4	C3	H3	166.7°	169.1°
O2	C4	C5	H5	179.5°	172.1°
C4	C5	C6	C1	122.0°	119.1°
C4	C5	C6	H5	120.0°	120.4°
C4	C5	C1	H5	118.6°	119.8°
C4	C5	C6	O1	172.9°	175.0°
C4	C5	C1	N	43.8°	50.6°
C5	C4	C3	H3	71.0°	71.1°
C5	C4	O2	H2	57.7°	179.0°
C4	C5	C6	H61C	52.7°	55.1°
C4	C5	C6	H62C	66.9°	65.0°
C4	C5	C1	H11C	164.4°	171.0°
C4	C5	C1	H12C	76.7°	69.5°
C6	C5	C1	H5	118.3°	120.4°
C5	C6	O1	H61C	120.2°	120.0°
C5	C6	O1	H62C	120.2°	120.0°
C6	C5	C1	N	167.0°	170.3°
C6	C5	C4	H4	59.6°	53.0°
C5	C6	H61C	H62C	119.3°	120.1°
C6	C5	C1	H11C	72.5°	69.2°
C6	C5	C1	H12C	46.5°	50.2°
C5	C6	O1	H1	180.0°	180.0°
C1	C5	C6	O1	65.1°	65.8°
C5	C1	N	H11C	120.5°	120.4°
C5	C1	N	H12C	120.5°	120.3°
C5	C1	N	H	164.6°	161.2°
C1	C5	C4	H4	179.0°	172.7°
C1	C5	C6	H61C	174.7°	174.2°
C1	C5	C6	H62C	55.1°	54.2°
C5	C1	H11C	H12C	118.5°	119.6°
O1	C6	C5	H5	53.0°	54.6°
O1	C6	H61C	H62C	119.4°	120.0°
N	C1	C5	H5	74.7°	69.3°
N	C1	H11C	H12C	118.4°	119.3°
H3	C3	O3	HA	100.2°	59.8°
H3	C3	C4	H4	47.4°	48.6°
H	N	C1	H11C	44.1°	40.8°
H	N	C1	H12C	74.9°	78.5°
H4	C4	O2	H2	61.5°	60.5°
H4	C4	C5	H5	60.5°	67.4°
H5	C5	C6	H61C	67.3°	65.3°
H5	C5	C6	H62C	173.2°	174.6°
H5	C5	C1	H11C	45.8°	51.2°
H5	C5	C1	H12C	164.8°	170.7°
H61C	C6	O1	H1	59.8°	60.0°
H62C	C6	O1	H1	59.8°	60.0°

Release date:	2015-03-25
Definition date:	2015-03-17
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI
Derived from:	4UFJ