2BF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.43Å	Aromatic
C1	C6	sing	1.38Å	1.43Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.38Å	1.54Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.43Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.44Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.38Å	1.46Å	Aromatic
C5	C7	sing	1.51Å	1.52Å
C6	H6	sing	1.08Å	1.10Å
C7	P	sing	1.82Å	1.88Å
C7	N	sing	1.47Å	1.46Å
C7	H7	sing	1.09Å	1.12Å
C8	C9	doub	1.38Å	1.56Å	Aromatic
C8	C13	sing	1.38Å	1.44Å	Aromatic
C8	C19	sing	1.51Å	1.49Å
C9	C10	sing	1.38Å	1.42Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C10	C11	doub	1.38Å	1.44Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C11	C12	sing	1.38Å	1.55Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C12	C13	doub	1.38Å	1.43Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	H13	sing	1.08Å	1.10Å
P	O1P	doub	1.48Å	1.61Å
P	O2P	sing	1.61Å	1.62Å
P	O3P	sing	1.61Å	1.61Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å
N	C19	sing	1.47Å	1.44Å
N	HN	sing	1.01Å	1.02Å
C19	H191	sing	1.09Å	1.11Å
C19	H192	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.4°	119.9°
C2	C1	H1	120.1°	120.0°
C1	C2	C3	119.6°	120.0°
C1	C2	H2	116.5°	120.0°
C6	C1	H1	120.5°	120.0°
C1	C6	C5	121.6°	120.1°
C1	C6	H6	118.4°	120.0°
C3	C2	H2	123.9°	120.0°
C2	C3	C4	119.1°	120.0°
C2	C3	H3	123.9°	120.0°
C4	C3	H3	117.0°	120.0°
C3	C4	C5	119.9°	120.0°
C3	C4	H4	119.7°	120.0°
C5	C4	H4	120.4°	120.0°
C4	C5	C6	120.4°	120.0°
C4	C5	C7	121.7°	120.0°
C6	C5	C7	117.9°	120.0°
C5	C6	H6	120.0°	119.9°
C5	C7	P	113.2°	109.5°
C5	C7	N	114.4°	109.5°
C5	C7	H7	102.0°	109.5°
P	C7	N	105.3°	109.5°
P	C7	H7	111.7°	109.4°
C7	P	O1P	107.0°	109.5°
C7	P	O2P	111.2°	109.5°
C7	P	O3P	106.8°	109.5°
N	C7	H7	110.4°	109.5°
C7	N	C19	114.6°	106.7°
C7	N	HN	110.3°	106.7°
C9	C8	C13	119.8°	120.0°
C9	C8	C19	121.9°	120.0°
C8	C9	C10	119.8°	120.0°
C8	C9	H9	124.7°	120.0°
C13	C8	C19	118.3°	120.0°
C8	C13	C12	120.0°	120.0°
C8	C13	H13	120.5°	120.0°
C8	C19	N	105.7°	109.5°
C8	C19	H191	113.6°	109.5°
C8	C19	H192	113.6°	109.4°
C10	C9	H9	115.6°	120.0°
C9	C10	C11	120.2°	120.0°
C9	C10	H10	119.4°	120.0°
C11	C10	H10	120.4°	120.0°
C10	C11	C12	120.4°	120.0°
C10	C11	H11	116.1°	120.0°
C12	C11	H11	123.5°	120.0°
C11	C12	C13	119.9°	120.0°
C11	C12	H12	123.9°	120.0°
C13	C12	H12	116.2°	120.0°
C12	C13	H13	119.5°	120.0°
O1P	P	O2P	111.1°	109.4°
O1P	P	O3P	109.1°	109.5°
O2P	P	O3P	111.4°	109.5°
P	O2P	HOP2	111.2°	106.9°
P	O3P	HOP3	106.8°	106.8°
C19	N	HN	110.3°	106.7°
N	C19	H191	113.6°	109.5°
N	C19	H192	113.6°	109.4°
H191	C19	H192	96.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.8°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	H3	179.8°	180.0°
C2	C1	C6	C5	0.2°	0.5°
C2	C1	C6	H6	179.8°	180.0°
C6	C1	C2	C3	0.1°	0.2°
C6	C1	C2	H2	179.9°	179.8°
C1	C6	C5	C4	0.2°	0.5°
C1	C6	C5	H6	180.0°	179.5°
C1	C6	C5	C7	179.9°	179.8°
H1	C1	C2	C3	179.9°	180.0°
H1	C1	C2	H2	0.1°	0.0°
H1	C1	C6	C5	179.8°	179.7°
H1	C1	C6	H6	0.2°	0.2°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.2°	0.0°
C2	C3	C4	H4	179.8°	180.0°
H2	C2	C3	C4	179.9°	180.0°
H2	C2	C3	H3	0.1°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.3°
C3	C4	C5	C7	179.9°	180.0°
H3	C3	C4	C5	179.8°	180.0°
H3	C3	C4	H4	0.2°	0.0°
C4	C5	C6	C7	179.6°	179.7°
C4	C5	C6	H6	179.8°	180.0°
C4	C5	C7	P	63.7°	90.0°
C4	C5	C7	N	56.9°	150.0°
C4	C5	C7	H7	176.1°	30.0°
H4	C4	C5	C6	179.8°	179.7°
H4	C4	C5	C7	0.2°	0.0°
C6	C5	C7	P	115.9°	90.3°
C6	C5	C7	N	123.5°	29.7°
C6	C5	C7	H7	4.3°	149.7°
C7	C5	C6	H6	0.2°	0.3°
C5	C7	P	N	125.7°	120.0°
C5	C7	P	H7	114.5°	120.0°
C5	C7	N	H7	114.4°	120.0°
C5	C7	P	O1P	6.7°	60.0°
C5	C7	P	O2P	128.3°	60.0°
C5	C7	P	O3P	110.0°	180.0°
C5	C7	N	C19	49.8°	150.0°
C5	C7	N	HN	75.5°	96.2°
P	C7	N	H7	120.7°	120.0°
C7	P	O1P	O2P	121.6°	120.0°
C7	P	O1P	O3P	115.2°	120.0°
C7	P	O2P	O3P	119.0°	120.1°
C7	P	O2P	HOP2	180.0°	60.0°
C7	P	O3P	HOP3	180.0°	59.9°
P	C7	N	C19	174.7°	90.0°
P	C7	N	HN	49.4°	23.8°
C7	N	C19	C8	137.6°	180.0°
N	C7	P	O1P	118.9°	60.0°
N	C7	P	O2P	2.6°	179.9°
N	C7	P	O3P	124.3°	60.0°
C7	N	C19	HN	125.3°	113.8°
C7	N	C19	H191	12.3°	59.9°
C7	N	C19	H192	97.2°	60.1°
H7	C7	P	O1P	121.2°	180.0°
H7	C7	P	O2P	117.3°	60.0°
H7	C7	P	O3P	4.5°	60.0°
H7	C7	N	C19	64.6°	30.0°
H7	C7	N	HN	170.1°	143.8°
C9	C8	C13	C19	179.0°	179.7°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	0.2°	0.1°
C8	C9	C10	H10	179.8°	180.0°
C9	C8	C13	C12	0.1°	0.5°
C9	C8	C13	H13	179.9°	179.9°
C9	C8	C19	N	103.3°	90.0°
C9	C8	C19	H191	22.0°	30.0°
C9	C8	C19	H192	131.5°	150.0°
C13	C8	C9	C10	0.1°	0.3°
C13	C8	C9	H9	179.9°	179.8°
C8	C13	C12	C11	0.1°	0.5°
C8	C13	C12	H13	180.0°	179.6°
C8	C13	C12	H12	179.9°	179.7°
C13	C8	C19	N	75.7°	90.2°
C13	C8	C19	H191	159.0°	149.7°
C13	C8	C19	H192	49.5°	29.7°
C19	C8	C9	C10	179.1°	180.0°
C19	C8	C9	H9	0.9°	0.1°
C19	C8	C13	C12	179.1°	179.8°
C19	C8	C13	H13	0.9°	0.2°
C8	C19	N	H191	125.3°	120.1°
C8	C19	N	H192	125.2°	119.9°
C8	C19	N	HN	12.3°	66.2°
C8	C19	H191	H192	119.5°	120.0°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.2°	0.1°
C9	C10	C11	H11	179.8°	179.9°
H9	C9	C10	C11	179.8°	180.0°
H9	C9	C10	H10	0.2°	0.1°
C10	C11	C12	H11	180.0°	179.8°
C10	C11	C12	C13	0.1°	0.3°
C10	C11	C12	H12	179.9°	179.9°
H10	C10	C11	C12	179.8°	180.0°
H10	C10	C11	H11	0.2°	0.2°
C11	C12	C13	H12	180.0°	179.8°
C11	C12	C13	H13	179.9°	179.9°
H11	C11	C12	C13	179.9°	179.9°
H11	C11	C12	H12	0.1°	0.1°
H12	C12	C13	H13	0.1°	0.2°
O1P	P	O2P	O3P	121.9°	120.0°
O1P	P	O2P	HOP2	61.0°	60.0°
O1P	P	O3P	HOP3	64.7°	60.1°
O2P	P	O3P	HOP3	58.4°	180.0°
O3P	P	O2P	HOP2	61.0°	180.0°
N	C19	H191	H192	119.5°	120.0°
HN	N	C19	H191	112.9°	173.7°
HN	N	C19	H192	137.6°	53.7°

Definition date:	2002-12-10
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1ND5