PIC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.46Å
C1	F1	sing	1.40Å	1.36Å
C1	F2	sing	1.40Å	1.35Å
C1	P	sing	1.82Å	1.81Å
C2	C3	sing	1.39Å	1.41Å	Aromatic
C2	C11	doub	1.36Å	1.41Å	Aromatic
C3	C4	doub	1.36Å	1.39Å	Aromatic
C3	HC3	sing	1.08Å	1.10Å
C7	C8	sing	1.41Å	1.41Å	Aromatic
C7	C12	sing	1.48Å	1.53Å
C7	C6	doub	1.39Å	1.38Å	Aromatic
C8	C9	doub	1.36Å	1.39Å	Aromatic
C8	HC8	sing	1.08Å	1.10Å
C9	C10	sing	1.41Å	1.38Å	Aromatic
C9	HC9	sing	1.08Å	1.10Å
C10	C11	sing	1.40Å	1.40Å	Aromatic
C10	C5	doub	1.42Å	1.44Å	Aromatic
C11	HC11	sing	1.08Å	1.10Å
C12	O1	sing	1.35Å	1.27Å
C12	O2	doub	1.22Å	1.25Å
C4	C5	sing	1.41Å	1.41Å	Aromatic
C4	HC4	sing	1.08Å	1.10Å
C5	C6	sing	1.40Å	1.41Å	Aromatic
C6	HC6	sing	1.08Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
P	OP1	sing	1.61Å	1.49Å
P	OP2	sing	1.61Å	1.49Å
P	OP3	doub	1.48Å	1.66Å
OP1	HOP1	sing	0.97Å	0.95Å
OP2	HOP2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	F1	110.5°	109.5°
C2	C1	F2	108.9°	109.5°
C2	C1	P	111.9°	109.5°
C1	C2	C3	120.5°	119.5°
C1	C2	C11	119.9°	119.5°
F1	C1	F2	106.7°	109.5°
F1	C1	P	106.8°	109.4°
F2	C1	P	112.0°	109.5°
C1	P	OP1	109.8°	109.4°
C1	P	OP2	113.6°	109.5°
C1	P	OP3	117.5°	109.5°
C3	C2	C11	119.6°	121.0°
C2	C3	C4	122.0°	121.0°
C2	C3	HC3	119.9°	119.5°
C2	C11	C10	119.6°	119.8°
C2	C11	HC11	120.6°	120.1°
C4	C3	HC3	118.1°	119.5°
C3	C4	C5	119.0°	119.6°
C3	C4	HC4	119.9°	120.1°
C8	C7	C12	120.8°	119.7°
C8	C7	C6	119.1°	120.5°
C7	C8	C9	122.6°	120.8°
C7	C8	HC8	119.3°	119.6°
C12	C7	C6	120.1°	119.8°
C7	C12	O1	120.9°	120.0°
C7	C12	O2	117.8°	120.0°
C7	C6	C5	120.0°	119.4°
C7	C6	HC6	119.1°	120.3°
C9	C8	HC8	118.1°	119.6°
C8	C9	C10	118.9°	120.1°
C8	C9	HC9	120.7°	120.0°
C10	C9	HC9	120.4°	120.0°
C9	C10	C11	120.5°	121.1°
C9	C10	C5	119.5°	119.7°
C11	C10	C5	120.0°	119.2°
C10	C11	HC11	119.8°	120.1°
C10	C5	C4	119.8°	119.4°
C10	C5	C6	120.0°	119.5°
O1	C12	O2	121.3°	120.0°
C12	O1	HO1	120.9°	120.0°
C5	C4	HC4	121.1°	120.2°
C4	C5	C6	120.2°	121.0°
C5	C6	HC6	121.0°	120.3°
OP1	P	OP2	100.6°	109.4°
OP1	P	OP3	107.9°	109.5°
P	OP1	HOP1	109.8°	106.8°
OP2	P	OP3	106.0°	109.5°
P	OP2	HOP2	113.7°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	F1	F2	118.2°	120.0°
C2	C1	F1	P	121.9°	120.0°
C2	C1	F2	P	124.2°	120.0°
C1	C2	C3	C11	178.5°	180.0°
C1	C2	C3	C4	179.4°	180.0°
C1	C2	C3	HC3	0.6°	0.0°
C1	C2	C11	C10	179.3°	180.0°
C1	C2	C11	HC11	0.7°	0.1°
C2	C1	P	OP1	179.6°	55.9°
C2	C1	P	OP2	68.6°	64.0°
C2	C1	P	OP3	55.8°	175.9°
F1	C1	F2	P	116.5°	119.9°
F1	C1	C2	C3	44.3°	30.2°
F1	C1	C2	C11	134.2°	149.8°
F1	C1	P	OP1	58.6°	175.9°
F1	C1	P	OP2	170.3°	56.0°
F1	C1	P	OP3	65.3°	64.1°
F2	C1	C2	C3	161.1°	150.2°
F2	C1	C2	C11	17.4°	29.8°
F2	C1	P	OP1	57.9°	64.1°
F2	C1	P	OP2	53.9°	175.9°
F2	C1	P	OP3	178.3°	55.9°
P	C1	C2	C3	74.6°	89.7°
P	C1	C2	C11	106.9°	90.2°
C1	P	OP1	OP2	120.0°	120.0°
C1	P	OP1	OP3	129.2°	120.0°
C1	P	OP2	OP3	130.4°	120.1°
C1	P	OP1	HOP1	180.0°	180.0°
C1	P	OP2	HOP2	180.0°	60.1°
C2	C3	C4	HC3	180.0°	179.9°
C3	C2	C11	C10	0.8°	0.0°
C3	C2	C11	HC11	179.2°	179.9°
C2	C3	C4	C5	0.7°	0.1°
C2	C3	C4	HC4	179.3°	179.9°
C11	C2	C3	C4	0.9°	0.1°
C11	C2	C3	HC3	179.1°	180.0°
C2	C11	C10	C9	179.2°	180.0°
C2	C11	C10	HC11	180.0°	179.9°
C2	C11	C10	C5	0.5°	0.1°
C3	C4	C5	C10	0.3°	0.1°
C3	C4	C5	HC4	180.0°	180.0°
C3	C4	C5	C6	179.6°	179.7°
HC3	C3	C4	C5	179.3°	180.0°
HC3	C3	C4	HC4	0.7°	0.0°
C8	C7	C12	C6	179.2°	179.7°
C7	C8	C9	HC8	180.0°	180.0°
C7	C8	C9	C10	1.0°	0.0°
C7	C8	C9	HC9	179.0°	179.9°
C8	C7	C12	O1	179.6°	0.0°
C8	C7	C12	O2	1.1°	180.0°
C8	C7	C6	C5	0.4°	0.5°
C8	C7	C6	HC6	179.5°	179.8°
C12	C7	C8	C9	179.7°	180.0°
C12	C7	C8	HC8	0.4°	0.0°
C7	C12	O1	O2	178.5°	180.0°
C12	C7	C6	C5	178.7°	179.8°
C12	C7	C6	HC6	1.3°	0.0°
C7	C12	O1	HO1	180.0°	180.0°
C6	C7	C8	C9	0.5°	0.3°
C6	C7	C8	HC8	179.6°	179.7°
C7	C6	C5	C10	0.8°	0.5°
C6	C7	C12	O1	1.2°	179.7°
C6	C7	C12	O2	179.8°	0.3°
C7	C6	C5	C4	180.0°	179.7°
C7	C6	C5	HC6	179.9°	179.7°
C8	C9	C10	HC9	180.0°	179.9°
C8	C9	C10	C11	179.7°	180.0°
C8	C9	C10	C5	0.6°	0.0°
HC8	C8	C9	C10	179.0°	180.0°
HC8	C8	C9	HC9	1.0°	0.1°
C9	C10	C11	C5	179.7°	179.9°
C9	C10	C11	HC11	0.8°	0.1°
C9	C10	C5	C4	179.4°	180.0°
C9	C10	C5	C6	0.2°	0.2°
HC9	C9	C10	C11	0.4°	0.1°
HC9	C9	C10	C5	179.3°	180.0°
C11	C10	C5	C4	0.2°	0.1°
C11	C10	C5	C6	179.4°	179.8°
C5	C10	C11	HC11	179.5°	180.0°
C10	C5	C4	C6	179.2°	179.8°
C10	C5	C4	HC4	179.6°	179.9°
C10	C5	C6	HC6	179.1°	179.8°
O2	C12	O1	HO1	1.5°	0.0°
C4	C5	C6	HC6	0.1°	0.0°
HC4	C4	C5	C6	0.4°	0.3°
OP1	P	OP2	OP3	112.3°	120.0°
OP1	P	OP2	HOP2	62.8°	59.9°
OP2	P	OP1	HOP1	59.9°	60.0°
OP3	P	OP1	HOP1	50.8°	60.0°
OP3	P	OP2	HOP2	49.5°	179.9°

Definition date:	1999-08-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1BZJ