C0K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	doub	1.38Å	1.41Å	Aromatic
C6	C1	sing	1.38Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C3	C2	sing	1.38Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C7	C3	sing	1.51Å	1.53Å
C4	C3	doub	1.38Å	1.43Å	Aromatic
C4	C5	sing	1.38Å	1.42Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	F19	sing	1.35Å	1.36Å
C5	C6	doub	1.39Å	1.39Å	Aromatic
C6	F20	sing	1.35Å	1.34Å
C12	C7	sing	1.53Å	1.56Å
C7	P8	sing	1.82Å	1.86Å
C7	H7	sing	1.09Å	1.10Å
O10	P8	doub	1.48Å	1.52Å
P8	O11	sing	1.61Å	1.50Å
P8	O9	sing	1.61Å	1.55Å
O9	HO9	sing	0.97Å	0.95Å
O11	HO11	sing	0.97Å	0.95Å
C13	C12	sing	1.53Å	1.56Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C14	C13	sing	1.51Å	1.55Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
O15	C14	doub	1.21Å	1.25Å
N16	C14	sing	1.35Å	1.39Å
O18	N16	sing	1.42Å	1.40Å
N16	C17	sing	1.47Å	1.49Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C17	H17B	sing	1.09Å	1.10Å
O18	HO18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	118.9°	119.9°
C2	C1	H1	120.6°	120.0°
C1	C2	C3	121.3°	120.1°
C1	C2	H2	119.3°	119.9°
C6	C1	H1	120.6°	120.0°
C1	C6	C5	121.7°	120.0°
C1	C6	F20	120.9°	120.0°
C3	C2	H2	119.4°	120.0°
C2	C3	C7	121.7°	119.9°
C2	C3	C4	119.0°	120.1°
C7	C3	C4	119.3°	120.0°
C3	C7	C12	108.6°	109.4°
C3	C7	P8	115.3°	109.5°
C3	C7	H7	110.8°	109.4°
C3	C4	C5	119.7°	120.0°
C3	C4	H4	120.1°	120.0°
C5	C4	H4	120.2°	120.0°
C4	C5	F19	123.7°	120.0°
C4	C5	C6	119.4°	119.9°
F19	C5	C6	116.9°	120.1°
C5	C6	F20	117.4°	120.1°
C12	C7	P8	119.9°	109.5°
C12	C7	H7	104.8°	109.5°
C7	C12	C13	106.7°	109.4°
C7	C12	H12	110.4°	109.5°
C7	C12	H12A	110.4°	109.5°
P8	C7	H7	95.9°	109.5°
C7	P8	O10	112.9°	109.5°
C7	P8	O11	102.5°	109.5°
C7	P8	O9	107.5°	109.5°
O10	P8	O11	108.8°	109.5°
O10	P8	O9	110.1°	109.5°
O11	P8	O9	115.0°	109.4°
P8	O11	HO11	109.5°	114.0°
P8	O9	HO9	109.5°	114.1°
C13	C12	H12	110.4°	109.5°
C13	C12	H12A	110.4°	109.5°
C12	C13	C14	119.9°	109.5°
C12	C13	H13	106.1°	109.5°
C12	C13	H13A	106.1°	109.5°
H12	C12	H12A	108.5°	109.5°
C14	C13	H13	106.1°	109.5°
C14	C13	H13A	106.1°	109.5°
C13	C14	O15	118.2°	120.0°
C13	C14	N16	124.5°	120.0°
H13	C13	H13A	112.6°	109.4°
O15	C14	N16	117.3°	120.0°
C14	N16	O18	110.1°	120.0°
C14	N16	C17	133.7°	120.0°
O18	N16	C17	116.1°	120.0°
N16	O18	HO18	109.5°	114.0°
N16	C17	H17	109.5°	109.4°
N16	C17	H17A	109.5°	109.4°
N16	C17	H17B	109.4°	109.5°
H17	C17	H17A	109.5°	109.5°
H17	C17	H17B	109.4°	109.5°
H17A	C17	H17B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.6°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C7	179.2°	179.9°
C1	C2	C3	C4	0.9°	0.0°
C2	C1	C6	C5	0.4°	0.6°
C2	C1	C6	F20	179.6°	180.0°
C6	C1	C2	C3	0.4°	0.3°
C6	C1	C2	H2	179.5°	179.7°
C1	C6	C5	C4	0.7°	0.5°
C1	C6	C5	F19	178.5°	179.7°
C1	C6	C5	F20	179.2°	179.5°
H1	C1	C2	C3	179.6°	179.9°
H1	C1	C2	H2	0.5°	0.1°
H1	C1	C6	C5	179.6°	179.8°
H1	C1	C6	F20	0.4°	0.3°
C2	C3	C7	C4	178.3°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	H4	179.4°	180.0°
C2	C3	C7	C12	81.3°	135.0°
C2	C3	C7	P8	56.5°	105.0°
C2	C3	C7	H7	164.1°	15.0°
H2	C2	C3	C7	0.7°	0.0°
H2	C2	C3	C4	179.1°	180.0°
C7	C3	C4	C5	178.9°	180.0°
C7	C3	C4	H4	1.0°	0.0°
C3	C7	C12	P8	135.6°	120.0°
C3	C7	C12	H7	118.5°	120.0°
C3	C7	P8	H7	116.4°	120.0°
C3	C7	P8	O10	172.0°	177.3°
C3	C7	P8	O11	71.1°	57.3°
C3	C7	P8	O9	50.5°	62.6°
C3	C7	C12	C13	73.5°	174.1°
C3	C7	C12	H12	166.5°	65.9°
C3	C7	C12	H12A	46.5°	54.1°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	F19	178.9°	180.0°
C3	C4	C5	C6	0.2°	0.2°
C4	C3	C7	C12	97.0°	45.0°
C4	C3	C7	P8	125.1°	75.0°
C4	C3	C7	H7	17.6°	165.0°
C4	C5	F19	C6	179.2°	179.8°
C4	C5	C6	F20	179.9°	180.0°
H4	C4	C5	F19	1.0°	0.0°
H4	C4	C5	C6	179.8°	179.8°
F19	C5	C6	F20	0.7°	0.2°
C12	C7	P8	H7	110.8°	120.1°
C12	C7	P8	O10	39.3°	62.7°
C12	C7	P8	O11	156.1°	177.3°
C12	C7	P8	O9	82.3°	57.3°
C7	C12	C13	H12	120.0°	120.0°
C7	C12	C13	H12A	120.0°	120.0°
C7	C12	H12	H12A	121.1°	120.0°
C7	C12	C13	C14	71.1°	174.6°
C7	C12	C13	H13	168.9°	54.6°
C7	C12	C13	H13A	48.9°	65.4°
C7	P8	O10	O11	113.1°	120.0°
C7	P8	O10	O9	120.1°	120.0°
C7	P8	O11	O9	116.3°	120.0°
C7	P8	O9	HO9	123.3°	55.9°
C7	P8	O11	HO11	119.7°	180.0°
P8	C7	C12	C13	150.9°	65.9°
P8	C7	C12	H12	30.9°	54.1°
P8	C7	C12	H12A	89.1°	174.1°
H7	C7	P8	O10	71.6°	57.3°
H7	C7	P8	O11	45.3°	62.7°
H7	C7	P8	O9	166.9°	177.4°
H7	C7	C12	C13	45.0°	54.1°
H7	C7	C12	H12	75.0°	174.1°
H7	C7	C12	H12A	165.0°	65.8°
O10	P8	O11	O9	124.0°	120.0°
O10	P8	O9	HO9	0.0°	175.9°
O10	P8	O11	HO11	0.0°	60.0°
O11	P8	O9	HO9	123.3°	64.1°
O9	P8	O11	HO11	124.0°	60.0°
C13	C12	H12	H12A	121.1°	120.0°
C12	C13	C14	H13	120.0°	120.1°
C12	C13	C14	H13A	120.0°	120.0°
C12	C13	H13	H13A	115.7°	120.0°
C12	C13	C14	O15	35.5°	0.0°
C12	C13	C14	N16	144.1°	180.0°
H12	C12	C13	C14	48.9°	65.4°
H12	C12	C13	H13	71.1°	174.6°
H12	C12	C13	H13A	168.9°	54.6°
H12A	C12	C13	C14	168.8°	54.7°
H12A	C12	C13	H13	48.8°	65.3°
H12A	C12	C13	H13A	71.2°	174.7°
C14	C13	H13	H13A	115.7°	120.0°
C13	C14	O15	N16	179.6°	180.0°
C13	C14	N16	O18	176.2°	0.0°
C13	C14	N16	C17	3.0°	180.0°
H13	C13	C14	O15	84.5°	120.0°
H13	C13	C14	N16	95.9°	60.0°
H13A	C13	C14	O15	155.4°	120.0°
H13A	C13	C14	N16	24.1°	60.0°
O15	C14	N16	O18	4.2°	180.0°
O15	C14	N16	C17	176.5°	0.0°
C14	N16	O18	C17	179.4°	180.0°
C14	N16	C17	H17	180.0°	90.0°
C14	N16	C17	H17A	60.0°	150.0°
C14	N16	C17	H17B	60.0°	30.0°
C14	N16	O18	HO18	2.1°	180.0°
O18	N16	C17	H17	0.8°	90.0°
O18	N16	C17	H17A	119.2°	30.0°
O18	N16	C17	H17B	120.8°	150.0°
N16	C17	H17	H17A	120.0°	119.9°
N16	C17	H17	H17B	120.0°	120.0°
N16	C17	H17A	H17B	120.0°	120.0°
C17	N16	O18	HO18	178.5°	0.0°
H17	C17	H17A	H17B	120.0°	120.1°

Definition date:	2011-04-13
Last modified:	2011-09-02
Release status:	REL
Processing site:	RCSB
Derived from:	3R0I