MNQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BE	F1	sing	0.00Å	1.52Å
BE	F2	sing	0.00Å	1.55Å
BE	F3	sing	0.00Å	1.57Å
BE	OB3	sing	0.00Å	1.61Å
PB	OB1	doub	0.00Å	1.47Å
PB	OB2	sing	0.00Å	1.54Å
PB	OB3	sing	0.00Å	1.61Å
PB	OA3	sing	0.00Å	1.61Å
OB2	HOB2	sing	0.00Å	0.95Å
OA3	PA	sing	0.00Å	1.58Å
PA	OA1	sing	0.00Å	1.54Å
PA	OA2	doub	0.00Å	1.48Å
PA	OE2	sing	0.00Å	1.56Å
OA1	HOA2	sing	0.00Å	0.95Å
OE2	CA1	sing	0.00Å	1.42Å
NA3	CA2	sing	0.00Å	1.51Å
NA3	C1	sing	0.00Å	1.42Å
NA3	HNA1	sing	0.00Å	1.00Å
CA2	CA1	sing	0.00Å	1.51Å
CA2	HA21	sing	0.00Å	1.10Å
CA2	HA22	sing	0.00Å	1.10Å
CA1	HA11	sing	0.00Å	1.10Å
CA1	HA12	sing	0.00Å	1.10Å
C1	C6	doub	0.00Å	1.43Å	Aromatic
C1	C2	sing	0.00Å	1.37Å	Aromatic
C6	C5	sing	0.00Å	1.47Å	Aromatic
C6	H6	sing	0.00Å	1.08Å
C5	C4	doub	0.00Å	1.34Å	Aromatic
C5	H5	sing	0.00Å	1.08Å
C4	C3	sing	0.00Å	1.44Å	Aromatic
C4	H4	sing	0.00Å	1.08Å
C3	C2	doub	0.00Å	1.36Å	Aromatic
C3	N3	sing	0.00Å	1.43Å
C2	H2	sing	0.00Å	1.08Å
N3	O3A	sing	0.00Å	1.26Å
N3	O3B	doub	0.00Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	BE	F2	108.6°	90.0°
F1	BE	F3	116.1°	90.0°
F1	BE	OB3	109.0°	90.0°
F2	BE	F3	110.8°	90.0°
F2	BE	OB3	105.9°	90.0°
F3	BE	OB3	105.9°	90.0°
BE	OB3	PB	134.5°	90.0°
OB1	PB	OB2	116.1°	90.0°
OB1	PB	OB3	111.8°	90.0°
OB1	PB	OA3	109.6°	90.0°
OB2	PB	OB3	108.3°	90.0°
OB2	PB	OA3	106.8°	90.0°
PB	OB2	HOB2	109.5°	90.0°
OB3	PB	OA3	103.5°	90.0°
PB	OA3	PA	129.6°	90.0°
OA3	PA	OA1	109.6°	90.0°
OA3	PA	OA2	109.4°	90.0°
OA3	PA	OE2	103.5°	90.0°
OA1	PA	OA2	113.7°	90.0°
OA1	PA	OE2	105.2°	90.0°
PA	OA1	HOA2	109.5°	90.0°
OA2	PA	OE2	114.9°	90.0°
PA	OE2	CA1	120.7°	90.0°
OE2	CA1	CA2	107.1°	90.0°
OE2	CA1	HA11	110.3°	90.0°
OE2	CA1	HA12	110.8°	90.0°
CA2	NA3	C1	104.2°	90.0°
CA2	NA3	HNA1	111.3°	90.0°
NA3	CA2	CA1	116.3°	90.0°
NA3	CA2	HA21	107.2°	90.0°
NA3	CA2	HA22	105.7°	90.0°
C1	NA3	HNA1	111.3°	90.0°
NA3	C1	C6	125.6°	90.0°
NA3	C1	C2	114.0°	90.0°
CA1	CA2	HA21	107.2°	90.0°
CA1	CA2	HA22	105.7°	90.0°
CA2	CA1	HA11	110.3°	90.0°
CA2	CA1	HA12	110.8°	90.0°
HA21	CA2	HA22	115.0°	90.0°
HA11	CA1	HA12	107.6°	90.0°
C6	C1	C2	119.7°	90.0°
C1	C6	C5	116.6°	90.0°
C1	C6	H6	121.7°	90.0°
C1	C2	C3	122.1°	90.0°
C1	C2	H2	119.0°	90.0°
C5	C6	H6	121.7°	90.0°
C6	C5	C4	121.3°	90.0°
C6	C5	H5	119.3°	90.0°
C4	C5	H5	119.4°	90.0°
C5	C4	C3	118.6°	90.0°
C5	C4	H4	120.7°	90.0°
C3	C4	H4	120.7°	90.0°
C4	C3	C2	120.4°	90.0°
C4	C3	N3	128.0°	90.0°
C2	C3	N3	111.5°	90.0°
C3	C2	H2	118.9°	90.0°
C3	N3	O3A	119.7°	90.0°
C3	N3	O3B	121.3°	90.0°
O3A	N3	O3B	118.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	BE	F2	F3	128.6°	90.0°
F1	BE	F2	OB3	117.0°	90.0°
F1	BE	F3	OB3	121.1°	90.0°
F1	BE	OB3	PB	79.5°	90.0°
F2	BE	F3	OB3	114.4°	90.0°
F2	BE	OB3	PB	37.2°	90.0°
F3	BE	OB3	PB	154.9°	90.0°
BE	OB3	PB	OB1	96.2°	90.0°
BE	OB3	PB	OB2	32.9°	90.0°
BE	OB3	PB	OA3	145.9°	90.0°
OB1	PB	OB2	OB3	126.6°	90.0°
OB1	PB	OB2	OA3	122.5°	90.0°
OB1	PB	OB3	OA3	117.8°	90.0°
OB1	PB	OB2	HOB2	146.0°	90.0°
OB1	PB	OA3	PA	122.2°	90.0°
OB2	PB	OB3	OA3	113.1°	90.0°
OB2	PB	OA3	PA	4.2°	90.0°
OB3	PB	OB2	HOB2	19.3°	90.0°
OB3	PB	OA3	PA	118.4°	90.0°
OA3	PB	OB2	HOB2	91.5°	90.0°
PB	OA3	PA	OA1	51.0°	90.0°
PB	OA3	PA	OA2	74.2°	90.0°
PB	OA3	PA	OE2	162.8°	90.0°
OA3	PA	OA1	OA2	122.7°	90.0°
OA3	PA	OA1	OE2	110.7°	90.0°
OA3	PA	OA2	OE2	115.9°	90.0°
OA3	PA	OA1	HOA2	35.2°	90.0°
OA3	PA	OE2	CA1	64.6°	90.0°
OA1	PA	OA2	OE2	121.3°	90.0°
OA1	PA	OE2	CA1	179.5°	90.0°
OA2	PA	OA1	HOA2	87.5°	90.0°
OA2	PA	OE2	CA1	54.6°	90.0°
OE2	PA	OA1	HOA2	145.9°	90.0°
PA	OE2	CA1	CA2	157.6°	90.0°
PA	OE2	CA1	HA11	37.6°	90.0°
PA	OE2	CA1	HA12	81.4°	90.0°
OE2	CA1	CA2	NA3	142.5°	90.0°
OE2	CA1	CA2	HA11	120.0°	90.0°
OE2	CA1	CA2	HA12	120.9°	90.0°
OE2	CA1	CA2	HA21	22.5°	90.0°
OE2	CA1	CA2	HA22	100.7°	90.0°
OE2	CA1	HA11	HA12	121.0°	90.0°
CA2	NA3	C1	HNA1	120.0°	90.0°
NA3	CA2	CA1	HA21	120.0°	90.0°
NA3	CA2	CA1	HA22	116.9°	90.0°
NA3	CA2	HA21	HA22	117.2°	90.0°
NA3	CA2	CA1	HA11	22.5°	90.0°
NA3	CA2	CA1	HA12	96.6°	90.0°
CA2	NA3	C1	C6	177.6°	90.0°
CA2	NA3	C1	C2	7.2°	90.0°
C1	NA3	CA2	CA1	179.2°	90.0°
C1	NA3	CA2	HA21	60.8°	90.0°
C1	NA3	CA2	HA22	62.4°	90.0°
NA3	C1	C6	C2	169.9°	90.0°
NA3	C1	C6	C5	179.1°	90.0°
NA3	C1	C6	H6	0.9°	90.0°
NA3	C1	C2	C3	177.5°	90.0°
NA3	C1	C2	H2	2.6°	90.0°
HNA1	NA3	CA2	CA1	60.8°	90.0°
HNA1	NA3	CA2	HA21	59.2°	90.0°
HNA1	NA3	CA2	HA22	177.6°	90.0°
HNA1	NA3	C1	C6	57.6°	90.0°
HNA1	NA3	C1	C2	112.8°	90.0°
CA1	CA2	HA21	HA22	117.2°	90.0°
CA2	CA1	HA11	HA12	121.0°	90.0°
HA21	CA2	CA1	HA11	97.5°	90.0°
HA21	CA2	CA1	HA12	143.4°	90.0°
HA22	CA2	CA1	HA11	139.3°	90.0°
HA22	CA2	CA1	HA12	20.3°	90.0°
C1	C6	C5	H6	180.0°	90.0°
C1	C6	C5	C4	11.9°	90.0°
C1	C6	C5	H5	168.1°	90.0°
C6	C1	C2	C3	6.4°	90.0°
C6	C1	C2	H2	173.6°	90.0°
C2	C1	C6	C5	9.2°	90.0°
C2	C1	C6	H6	170.8°	90.0°
C1	C2	C3	C4	5.4°	90.0°
C1	C2	C3	H2	180.0°	90.0°
C1	C2	C3	N3	179.0°	90.0°
C6	C5	C4	H5	180.0°	90.0°
C6	C5	C4	C3	11.1°	90.0°
C6	C5	C4	H4	168.9°	90.0°
H6	C6	C5	C4	168.1°	90.0°
H6	C6	C5	H5	11.9°	90.0°
C5	C4	C3	H4	180.0°	90.0°
C5	C4	C3	C2	7.8°	90.0°
C5	C4	C3	N3	177.4°	90.0°
H5	C5	C4	C3	168.9°	90.0°
H5	C5	C4	H4	11.1°	90.0°
C4	C3	C2	N3	175.6°	90.0°
C4	C3	C2	H2	174.6°	90.0°
C4	C3	N3	O3A	176.7°	90.0°
C4	C3	N3	O3B	7.4°	90.0°
H4	C4	C3	C2	172.2°	90.0°
H4	C4	C3	N3	2.6°	90.0°
C2	C3	N3	O3A	1.5°	90.0°
C2	C3	N3	O3B	177.4°	90.0°
N3	C3	C2	H2	1.0°	90.0°
C3	N3	O3A	O3B	176.0°	90.0°

Definition date:	1999-09-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1D0X