ONP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BE	F1	sing	0.00Å	1.50Å
BE	F2	sing	0.00Å	1.49Å
BE	F3	sing	0.00Å	1.51Å
BE	OB3	sing	0.00Å	1.59Å
PB	OB1	doub	0.00Å	1.49Å
PB	OB2	sing	0.00Å	1.53Å
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	1.57Å
PA	OA1	sing	0.00Å	1.57Å
PA	OA2	doub	0.00Å	1.48Å
PA	OE2	sing	0.00Å	1.61Å
OA1	HOA2	sing	0.00Å	0.95Å
OE2	CA1	sing	0.00Å	1.41Å
NA3	CA2	sing	0.00Å	1.44Å
NA3	C1	sing	0.00Å	1.41Å
NA3	HNA1	sing	0.00Å	1.02Å
CA2	CA1	sing	0.00Å	1.51Å
CA2	HA21	sing	0.00Å	1.11Å
CA2	HA22	sing	0.00Å	1.11Å
CA1	HA11	sing	0.00Å	1.11Å
CA1	HA12	sing	0.00Å	1.12Å
C1	C6	doub	0.00Å	1.36Å	Aromatic
C1	C2	sing	0.00Å	1.40Å	Aromatic
C6	C5	sing	0.00Å	1.42Å	Aromatic
C6	H6	sing	0.00Å	1.10Å
C5	C4	doub	0.00Å	1.39Å	Aromatic
C5	H5	sing	0.00Å	1.10Å
C4	C3	sing	0.00Å	1.41Å	Aromatic
C4	H4	sing	0.00Å	1.10Å
C3	C2	doub	0.00Å	1.39Å	Aromatic
C3	H3	sing	0.00Å	1.10Å
C2	N2	sing	0.00Å	1.48Å
N2	O2A	doub	0.00Å	1.23Å
N2	O2B	sing	0.00Å	1.28Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	BE	F2	107.6°	90.0°
F1	BE	F3	115.1°	90.0°
F1	BE	OB3	106.9°	90.0°
F2	BE	F3	109.6°	90.0°
F2	BE	OB3	109.1°	90.0°
F3	BE	OB3	108.4°	90.0°
BE	OB3	PB	130.9°	90.0°
OB1	PB	OB2	113.4°	90.0°
OB1	PB	OB3	112.0°	90.0°
OB1	PB	OA3	107.0°	90.0°
OB2	PB	OB3	113.1°	90.0°
OB2	PB	OA3	106.4°	90.0°
PB	OB2	HOB2	113.5°	90.0°
OB3	PB	OA3	104.0°	90.0°
PB	OA3	PA	129.9°	90.0°
OA3	PA	OA1	111.0°	90.0°
OA3	PA	OA2	107.9°	90.0°
OA3	PA	OE2	109.7°	90.0°
OA1	PA	OA2	112.0°	90.0°
OA1	PA	OE2	105.1°	90.0°
PA	OA1	HOA2	111.0°	90.0°
OA2	PA	OE2	111.1°	90.0°
PA	OE2	CA1	117.9°	90.0°
OE2	CA1	CA2	109.1°	90.0°
OE2	CA1	HA11	112.3°	90.0°
OE2	CA1	HA12	112.3°	90.0°
CA2	NA3	C1	110.9°	90.0°
CA2	NA3	HNA1	111.7°	90.0°
NA3	CA2	CA1	108.6°	90.0°
NA3	CA2	HA21	112.5°	90.0°
NA3	CA2	HA22	112.5°	90.0°
C1	NA3	HNA1	111.7°	90.0°
NA3	C1	C6	119.5°	90.0°
NA3	C1	C2	120.8°	90.0°
CA1	CA2	HA21	112.5°	90.0°
CA1	CA2	HA22	112.5°	90.0°
CA2	CA1	HA11	112.4°	90.0°
CA2	CA1	HA12	112.3°	90.0°
HA21	CA2	HA22	98.0°	90.0°
HA11	CA1	HA12	98.1°	90.0°
C6	C1	C2	119.6°	90.0°
C1	C6	C5	119.5°	90.0°
C1	C6	H6	118.0°	90.0°
C1	C2	C3	121.3°	90.0°
C1	C2	N2	118.1°	90.0°
C5	C6	H6	122.4°	90.0°
C6	C5	C4	121.8°	90.0°
C6	C5	H5	120.1°	90.0°
C4	C5	H5	118.0°	90.0°
C5	C4	C3	118.0°	90.0°
C5	C4	H4	120.3°	90.0°
C3	C4	H4	121.7°	90.0°
C4	C3	C2	119.6°	90.0°
C4	C3	H3	120.9°	90.0°
C2	C3	H3	119.5°	90.0°
C3	C2	N2	120.6°	90.0°
C2	N2	O2A	115.5°	90.0°
C2	N2	O2B	116.9°	90.0°
O2A	N2	O2B	127.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	BE	F2	F3	125.8°	90.0°
F1	BE	F2	OB3	115.6°	90.0°
F1	BE	F3	OB3	119.6°	90.0°
F1	BE	OB3	PB	83.3°	90.0°
F2	BE	F3	OB3	119.0°	90.0°
F2	BE	OB3	PB	32.7°	90.0°
F3	BE	OB3	PB	152.0°	90.0°
BE	OB3	PB	OB1	102.5°	90.0°
BE	OB3	PB	OB2	27.3°	90.0°
BE	OB3	PB	OA3	142.2°	90.0°
OB1	PB	OB2	OB3	129.0°	90.0°
OB1	PB	OB2	OA3	117.4°	90.0°
OB1	PB	OB3	OA3	115.3°	90.0°
OB1	PB	OB2	HOB2	180.0°	90.0°
OB1	PB	OA3	PA	117.4°	90.0°
OB2	PB	OB3	OA3	115.0°	90.0°
OB2	PB	OA3	PA	4.2°	90.0°
OB3	PB	OB2	HOB2	51.0°	90.0°
OB3	PB	OA3	PA	123.9°	90.0°
OA3	PB	OB2	HOB2	62.6°	90.0°
PB	OA3	PA	OA1	49.9°	90.0°
PB	OA3	PA	OA2	73.1°	90.0°
PB	OA3	PA	OE2	165.7°	90.0°
OA3	PA	OA1	OA2	120.7°	90.0°
OA3	PA	OA1	OE2	118.5°	90.0°
OA3	PA	OA2	OE2	120.3°	90.0°
OA3	PA	OA1	HOA2	180.0°	90.0°
OA3	PA	OE2	CA1	54.2°	90.0°
OA1	PA	OA2	OE2	117.3°	90.0°
OA1	PA	OE2	CA1	173.6°	90.0°
OA2	PA	OA1	HOA2	59.3°	90.0°
OA2	PA	OE2	CA1	65.0°	90.0°
OE2	PA	OA1	HOA2	61.5°	90.0°
PA	OE2	CA1	CA2	145.7°	90.0°
PA	OE2	CA1	HA11	20.5°	90.0°
PA	OE2	CA1	HA12	89.0°	90.0°
OE2	CA1	CA2	NA3	45.4°	90.0°
OE2	CA1	CA2	HA11	125.2°	90.0°
OE2	CA1	CA2	HA12	125.2°	90.0°
OE2	CA1	CA2	HA21	170.6°	90.0°
OE2	CA1	CA2	HA22	79.9°	90.0°
OE2	CA1	HA11	HA12	118.2°	90.0°
CA2	NA3	C1	HNA1	125.3°	90.0°
NA3	CA2	CA1	HA21	125.2°	90.0°
NA3	CA2	CA1	HA22	125.2°	90.0°
NA3	CA2	HA21	HA22	118.5°	90.0°
NA3	CA2	CA1	HA11	170.6°	90.0°
NA3	CA2	CA1	HA12	79.9°	90.0°
CA2	NA3	C1	C6	4.4°	90.0°
CA2	NA3	C1	C2	179.1°	90.0°
C1	NA3	CA2	CA1	174.4°	90.0°
C1	NA3	CA2	HA21	49.2°	90.0°
C1	NA3	CA2	HA22	60.4°	90.0°
NA3	C1	C6	C2	176.5°	90.0°
NA3	C1	C6	C5	179.5°	90.0°
NA3	C1	C6	H6	0.4°	90.0°
NA3	C1	C2	C3	178.4°	90.0°
NA3	C1	C2	N2	0.9°	90.0°
HNA1	NA3	CA2	CA1	60.3°	90.0°
HNA1	NA3	CA2	HA21	174.5°	90.0°
HNA1	NA3	CA2	HA22	64.9°	90.0°
HNA1	NA3	C1	C6	129.7°	90.0°
HNA1	NA3	C1	C2	53.8°	90.0°
CA1	CA2	HA21	HA22	118.5°	90.0°
CA2	CA1	HA11	HA12	118.3°	90.0°
HA21	CA2	CA1	HA11	64.2°	90.0°
HA21	CA2	CA1	HA12	45.4°	90.0°
HA22	CA2	CA1	HA11	45.4°	90.0°
HA22	CA2	CA1	HA12	154.9°	90.0°
C1	C6	C5	H6	180.0°	90.0°
C1	C6	C5	C4	1.1°	90.0°
C1	C6	C5	H5	178.9°	90.0°
C6	C1	C2	C3	1.9°	90.0°
C6	C1	C2	N2	177.3°	90.0°
C2	C1	C6	C5	3.0°	90.0°
C2	C1	C6	H6	176.9°	90.0°
C1	C2	C3	C4	1.2°	90.0°
C1	C2	C3	N2	179.3°	90.0°
C1	C2	C3	H3	178.8°	90.0°
C1	C2	N2	O2A	176.1°	90.0°
C1	C2	N2	O2B	1.2°	90.0°
C6	C5	C4	H5	180.0°	90.0°
C6	C5	C4	C3	2.0°	90.0°
C6	C5	C4	H4	178.0°	90.0°
H6	C6	C5	C4	178.9°	90.0°
H6	C6	C5	H5	1.1°	90.0°
C5	C4	C3	H4	180.0°	90.0°
C5	C4	C3	C2	3.1°	90.0°
C5	C4	C3	H3	176.9°	90.0°
H5	C5	C4	C3	178.0°	90.0°
H5	C5	C4	H4	2.0°	90.0°
C4	C3	C2	H3	180.0°	90.0°
C4	C3	C2	N2	179.5°	90.0°
H4	C4	C3	C2	176.9°	90.0°
H4	C4	C3	H3	3.1°	90.0°
C3	C2	N2	O2A	3.1°	90.0°
C3	C2	N2	O2B	179.5°	90.0°
H3	C3	C2	N2	0.5°	90.0°
C2	N2	O2A	O2B	177.0°	90.0°

Definition date:	1999-09-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1D0Y