FU8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	trip	0.00Å	1.23Å
C4	N4	trip	0.00Å	1.21Å
C4	FE1	sing	0.00Å	1.83Å
C5	O5	doub	0.00Å	1.19Å
C5	FE2	sing	0.00Å	1.99Å
C5	FE1	sing	0.00Å	1.90Å
C6	FE2	sing	0.00Å	1.93Å
C6	N6	trip	0.00Å	1.14Å
C7	O7	trip	0.00Å	1.18Å
C7	FE2	sing	0.00Å	1.77Å
FE2	S1	sing	0.00Å	2.32Å
FE2	S2	sing	0.00Å	2.29Å
S1	FE1	sing	0.00Å	2.29Å
S1	C1	sing	0.00Å	1.85Å
S2	FE1	sing	0.00Å	2.30Å
S2	C2	sing	0.00Å	1.89Å
FE1	C3	sing	0.00Å	1.74Å
C2	C1	sing	0.00Å	1.50Å
C2	H7	sing	0.00Å	1.10Å
C2	H8	sing	0.00Å	1.10Å
C1	H9	sing	0.00Å	1.10Å
C1	H10	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	FE1	169.7°	90.0°
N4	C4	FE1	178.7°	90.0°
C4	FE1	C5	81.6°	90.0°
C4	FE1	S1	86.1°	90.0°
C4	FE1	S2	167.5°	90.0°
C4	FE1	C3	94.3°	90.0°
O5	C5	FE2	111.9°	90.0°
O5	C5	FE1	166.2°	90.0°
FE2	C5	FE1	82.0°	90.0°
C5	FE2	C6	86.6°	90.0°
C5	FE2	C7	90.2°	90.0°
C5	FE2	S1	89.7°	90.0°
C5	FE2	S2	88.2°	90.0°
C5	FE1	S1	93.0°	90.0°
C5	FE1	S2	90.2°	90.0°
C5	FE1	C3	79.5°	90.0°
FE2	C6	N6	172.7°	90.0°
C6	FE2	C7	95.7°	90.0°
C6	FE2	S1	173.0°	90.0°
C6	FE2	S2	89.6°	90.0°
O7	C7	FE2	174.4°	90.0°
C7	FE2	S1	90.3°	90.0°
C7	FE2	S2	174.4°	90.0°
S1	FE2	S2	84.4°	90.0°
FE2	S1	FE1	67.3°	90.0°
FE2	S1	C1	90.5°	90.0°
FE2	S2	FE1	67.5°	90.0°
FE2	S2	C2	90.3°	90.0°
FE1	S1	C1	106.1°	90.0°
S1	FE1	S2	85.0°	90.0°
S1	FE1	C3	172.4°	90.0°
S1	C1	C2	115.8°	90.0°
S1	C1	H9	107.9°	90.0°
S1	C1	H10	107.9°	90.0°
FE1	S2	C2	105.1°	90.0°
S2	FE1	C3	93.4°	90.0°
S2	C2	C1	114.8°	90.0°
S2	C2	H7	108.1°	90.0°
S2	C2	H8	108.1°	90.0°
C1	C2	H7	108.1°	90.0°
C1	C2	H8	108.1°	90.0°
C2	C1	H9	107.9°	90.0°
C2	C1	H10	107.9°	90.0°
H7	C2	H8	109.4°	90.0°
H9	C1	H10	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	FE1	C4	123.3°	90.0°
O3	C3	FE1	C5	42.7°	90.0°
O3	C3	FE1	S1	30.8°	90.0°
O3	C3	FE1	S2	46.8°	90.0°
N4	C4	FE1	C5	50.1°	90.0°
N4	C4	FE1	S1	43.6°	90.0°
N4	C4	FE1	S2	0.8°	90.0°
N4	C4	FE1	C3	128.8°	90.0°
C4	FE1	C5	O5	53.9°	90.0°
C4	FE1	C5	FE2	127.0°	90.0°
C4	FE1	C5	S1	85.6°	90.0°
C4	FE1	C5	S2	170.5°	90.0°
C4	FE1	C5	C3	96.0°	90.0°
C4	FE1	S1	FE2	118.9°	90.0°
C4	FE1	S2	FE2	8.7°	90.0°
C4	FE1	S1	S2	171.2°	90.0°
C4	FE1	S1	C3	93.1°	90.0°
C4	FE1	S1	C1	157.5°	90.0°
C4	FE1	S2	C3	128.1°	90.0°
C4	FE1	S2	C2	75.3°	90.0°
O5	C5	FE2	FE1	179.8°	90.0°
O5	C5	FE2	C6	46.3°	90.0°
O5	C5	FE2	C7	49.3°	90.0°
O5	C5	FE2	S1	139.6°	90.0°
O5	C5	FE2	S2	136.0°	90.0°
O5	C5	FE1	S1	139.5°	90.0°
O5	C5	FE1	S2	135.6°	90.0°
O5	C5	FE1	C3	42.1°	90.0°
C5	FE2	C6	C7	89.9°	90.0°
C5	FE2	C6	S1	58.4°	90.0°
C5	FE2	C6	S2	88.3°	90.0°
C5	FE2	C6	N6	123.8°	90.0°
C5	FE2	C7	O7	159.9°	90.0°
C5	FE2	C7	S1	89.7°	90.0°
C5	FE2	C7	S2	73.8°	90.0°
C5	FE2	S1	S2	88.3°	90.0°
FE2	C5	FE1	S1	41.5°	90.0°
C5	FE2	S1	C1	142.9°	90.0°
FE2	C5	FE1	S2	43.5°	90.0°
C5	FE2	S2	C2	143.9°	90.0°
FE2	C5	FE1	C3	137.0°	90.0°
FE1	C5	FE2	C6	133.4°	90.0°
FE1	C5	FE2	C7	130.9°	90.0°
C5	FE1	S1	S2	89.9°	90.0°
C5	FE1	S1	C3	11.7°	90.0°
C5	FE1	S1	C1	121.1°	90.0°
C5	FE1	S2	C3	79.5°	90.0°
C5	FE1	S2	C2	123.8°	90.0°
C6	FE2	C7	O7	73.3°	90.0°
C6	FE2	C7	S1	176.3°	90.0°
C6	FE2	C7	S2	160.4°	90.0°
C6	FE2	S1	S2	30.0°	90.0°
C6	FE2	S1	FE1	22.7°	90.0°
C6	FE2	S1	C1	84.6°	90.0°
C6	FE2	S2	FE1	124.4°	90.0°
C6	FE2	S2	C2	129.4°	90.0°
N6	C6	FE2	C7	146.3°	90.0°
N6	C6	FE2	S1	65.4°	90.0°
N6	C6	FE2	S2	35.5°	90.0°
O7	C7	FE2	S1	110.4°	90.0°
O7	C7	FE2	S2	126.3°	90.0°
C7	FE2	S1	S2	178.5°	90.0°
C7	FE2	S1	FE1	125.8°	90.0°
C7	FE2	S1	C1	126.9°	90.0°
C7	FE2	S2	FE1	36.1°	90.0°
C7	FE2	S2	C2	70.0°	90.0°
FE2	S1	FE1	C1	83.6°	90.0°
S1	FE2	S2	FE1	52.1°	90.0°
S1	FE2	S2	C2	54.1°	90.0°
FE2	S1	FE1	C3	25.8°	90.0°
FE2	S1	C1	C2	41.4°	90.0°
FE2	S1	C1	H9	162.3°	90.0°
FE2	S1	C1	H10	79.6°	90.0°
S2	FE2	S1	C1	54.6°	90.0°
FE2	S2	FE1	C2	84.0°	90.0°
FE2	S2	FE1	C3	119.4°	90.0°
FE2	S2	C2	C1	42.2°	90.0°
FE2	S2	C2	H7	78.6°	90.0°
FE2	S2	C2	H8	163.0°	90.0°
S1	FE1	S2	C3	172.6°	90.0°
S1	FE1	S2	C2	30.8°	90.0°
FE1	S1	C1	C2	25.1°	90.0°
FE1	S1	C1	H9	95.9°	90.0°
FE1	S1	C1	H10	146.0°	90.0°
C1	S1	FE1	S2	31.2°	90.0°
S1	C1	C2	S2	0.1°	90.0°
C1	S1	FE1	C3	109.4°	90.0°
S1	C1	C2	H9	120.9°	90.0°
S1	C1	C2	H10	120.9°	90.0°
S1	C1	C2	H7	120.7°	90.0°
S1	C1	C2	H8	120.9°	90.0°
S1	C1	H9	H10	117.1°	90.0°
FE1	S2	C2	C1	24.6°	90.0°
FE1	S2	C2	H7	145.4°	90.0°
FE1	S2	C2	H8	96.2°	90.0°
C2	S2	FE1	C3	156.7°	90.0°
S2	C2	C1	H7	120.8°	90.0°
S2	C2	C1	H8	120.8°	90.0°
S2	C2	H7	H8	117.6°	90.0°
S2	C2	C1	H9	120.8°	90.0°
S2	C2	C1	H10	121.0°	90.0°
C1	C2	H7	H8	117.6°	90.0°
C2	C1	H9	H10	117.1°	90.0°
H7	C2	C1	H9	118.4°	90.0°
H7	C2	C1	H10	0.2°	90.0°
H8	C2	C1	H9	0.0°	90.0°
H8	C2	C1	H10	118.2°	90.0°

Release date:	2019-09-18
Definition date:	2018-07-27
Last modified:	2019-09-13
Release status:	REL
Processing site:	EBI
Derived from:	6H63