POT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	O2	sing	1.61Å	1.63Å
P	C1	sing	1.78Å	1.73Å
P	O1	doub	1.50Å	1.57Å
P	CL1	sing	2.00Å	36.27Å
C1	H11A	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
O2	C2	sing	1.43Å	1.46Å
C2	C3	sing	1.53Å	1.53Å
C2	C5	sing	1.53Å	1.53Å
C2	H2	sing	1.10Å	1.10Å
C3	C4	sing	1.52Å	1.50Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.10Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C4	H43	sing	1.09Å	1.10Å
C5	O3	sing	1.42Å	1.46Å
C5	H51	sing	1.10Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
O3	C10	sing	1.37Å	1.41Å
C6	C11	sing	1.39Å	1.44Å	Aromatic
C6	C7	doub	1.39Å	1.45Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C7	C8	sing	1.39Å	1.44Å	Aromatic
C7	H7	sing	1.09Å	1.08Å
C8	C9	doub	1.39Å	1.43Å	Aromatic
C8	H8	sing	1.09Å	1.08Å
C9	C10	sing	1.39Å	1.46Å	Aromatic
C9	H9	sing	1.09Å	1.08Å
C10	C11	doub	1.39Å	1.45Å	Aromatic
C11	H11	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	P	C1	109.5°	105.4°
O2	P	O1	112.9°	115.8°
O2	P	CL1	118.4°	101.7°
P	O2	C2	137.1°	118.7°
C1	P	O1	111.6°	115.1°
C1	P	CL1	93.0°	105.4°
P	C1	H11A	109.5°	110.1°
P	C1	H12	109.5°	110.0°
P	C1	H13	109.5°	110.0°
O1	P	CL1	109.7°	111.9°
H11A	C1	H12	109.4°	108.9°
H11A	C1	H13	109.4°	108.9°
H12	C1	H13	109.5°	108.9°
O2	C2	C3	109.1°	108.9°
O2	C2	C5	114.0°	108.7°
O2	C2	H2	105.5°	107.3°
C3	C2	C5	105.8°	111.2°
C3	C2	H2	113.8°	110.4°
C2	C3	C4	108.6°	112.3°
C2	C3	H31	109.8°	109.9°
C2	C3	H32	109.9°	109.9°
C5	C2	H2	108.8°	110.3°
C2	C5	O3	110.9°	109.9°
C2	C5	H51	109.0°	111.1°
C2	C5	H52	108.7°	111.6°
C4	C3	H31	109.8°	108.2°
C4	C3	H32	109.9°	108.9°
C3	C4	H41	109.5°	111.4°
C3	C4	H42	109.4°	111.0°
C3	C4	H43	109.4°	110.1°
H31	C3	H32	108.8°	107.7°
H41	C4	H42	109.5°	108.3°
H41	C4	H43	109.4°	107.9°
H42	C4	H43	109.5°	108.0°
O3	C5	H51	109.0°	107.3°
O3	C5	H52	108.7°	108.0°
C5	O3	C10	121.7°	116.7°
H51	C5	H52	110.5°	108.8°
O3	C10	C9	122.6°	119.7°
O3	C10	C11	118.8°	119.7°
C11	C6	C7	119.9°	120.0°
C11	C6	H6	120.1°	120.0°
C6	C11	C10	120.5°	119.7°
C6	C11	H11	119.7°	119.7°
C7	C6	H6	120.1°	120.0°
C6	C7	C8	120.5°	120.0°
C6	C7	H7	119.7°	119.9°
C8	C7	H7	119.8°	120.0°
C7	C8	C9	119.6°	120.0°
C7	C8	H8	120.2°	120.0°
C9	C8	H8	120.2°	120.0°
C8	C9	C10	120.9°	119.7°
C8	C9	H9	119.5°	119.7°
C10	C9	H9	119.5°	120.6°
C9	C10	C11	118.6°	120.6°
C10	C11	H11	119.7°	120.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	P	C1	O1	125.7°	128.9°
O2	P	C1	CL1	121.6°	107.2°
O2	P	O1	CL1	134.4°	116.0°
O2	P	C1	H11A	0.5°	34.1°
O2	P	C1	H12	119.5°	86.0°
O2	P	C1	H13	120.4°	154.1°
P	O2	C2	C3	145.9°	180.0°
P	O2	C2	C5	96.0°	58.7°
P	O2	C2	H2	23.3°	60.6°
C1	P	O1	CL1	101.7°	120.4°
P	C1	H11A	H12	120.0°	120.7°
P	C1	H11A	H13	120.0°	120.7°
P	C1	H12	H13	120.0°	120.6°
C1	P	O2	C2	57.4°	60.1°
O1	P	C1	H11A	126.2°	163.0°
O1	P	C1	H12	6.2°	43.0°
O1	P	C1	H13	113.8°	77.0°
O1	P	O2	C2	177.6°	68.5°
CL1	P	C1	H11A	121.2°	73.1°
CL1	P	C1	H12	118.9°	166.8°
CL1	P	C1	H13	1.2°	46.9°
CL1	P	O2	C2	47.4°	169.9°
H11A	C1	H12	H13	120.0°	118.6°
O2	C2	C3	C5	123.1°	119.7°
O2	C2	C3	H2	117.5°	117.5°
O2	C2	C5	H2	117.4°	117.4°
O2	C2	C3	C4	65.8°	57.5°
O2	C2	C3	H31	54.2°	177.9°
O2	C2	C3	H32	173.9°	63.8°
O2	C2	C5	O3	3.8°	178.3°
O2	C2	C5	H51	123.8°	59.8°
O2	C2	C5	H52	115.6°	61.9°
C3	C2	C5	H2	122.6°	122.8°
C2	C3	C4	H31	120.0°	121.4°
C2	C3	C4	H32	120.3°	121.9°
C2	C3	H31	H32	120.3°	119.6°
C2	C3	C4	H41	33.3°	62.1°
C2	C3	C4	H42	153.2°	58.8°
C2	C3	C4	H43	86.7°	178.3°
C3	C2	C5	O3	123.8°	58.5°
C3	C2	C5	H51	116.2°	60.0°
C3	C2	C5	H52	4.3°	178.3°
C5	C2	C3	C4	171.1°	177.2°
C5	C2	C3	H31	68.9°	62.4°
C5	C2	C3	H32	50.8°	55.9°
C2	C5	O3	H51	120.0°	120.9°
C2	C5	O3	H52	119.4°	122.0°
C2	C5	H51	H52	119.4°	123.2°
C2	C5	O3	C10	179.9°	150.9°
H2	C2	C3	C4	51.7°	60.0°
H2	C2	C3	H31	171.7°	60.4°
H2	C2	C3	H32	68.6°	178.7°
H2	C2	C5	O3	113.6°	64.3°
H2	C2	C5	H51	6.4°	177.2°
H2	C2	C5	H52	126.9°	55.6°
C4	C3	H31	H32	120.3°	117.5°
C3	C4	H41	H42	120.0°	122.3°
C3	C4	H41	H43	120.0°	121.0°
C3	C4	H42	H43	120.0°	120.8°
H31	C3	C4	H41	86.8°	59.3°
H31	C3	C4	H42	33.2°	179.9°
H31	C3	C4	H43	153.3°	60.3°
H32	C3	C4	H41	153.6°	176.0°
H32	C3	C4	H42	86.4°	63.2°
H32	C3	C4	H43	33.6°	56.4°
H41	C4	H42	H43	120.0°	116.6°
O3	C5	H51	H52	119.5°	116.7°
C5	O3	C10	C9	114.9°	150.0°
C5	O3	C10	C11	65.6°	30.0°
H51	C5	O3	C10	60.1°	30.0°
H52	C5	O3	C10	60.5°	87.2°
O3	C10	C11	C6	179.4°	180.0°
O3	C10	C9	C8	179.4°	180.0°
O3	C10	C9	C11	179.5°	179.9°
O3	C10	C9	H9	0.5°	0.1°
O3	C10	C11	H11	0.6°	0.1°
C11	C6	C7	H6	180.0°	180.0°
C11	C6	C7	C8	0.1°	0.0°
C11	C6	C7	H7	180.0°	179.9°
C6	C11	C10	C9	0.1°	0.0°
C6	C11	C10	H11	180.0°	179.9°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.1°	0.0°
C6	C7	C8	H8	179.9°	180.0°
C7	C6	C11	C10	0.0°	0.0°
C7	C6	C11	H11	180.0°	180.0°
H6	C6	C7	C8	179.9°	180.0°
H6	C6	C7	H7	0.0°	0.0°
H6	C6	C11	C10	180.0°	179.9°
H6	C6	C11	H11	0.0°	0.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.0°	0.0°
C7	C8	C9	H9	180.0°	180.0°
H7	C7	C8	C9	179.9°	179.9°
H7	C7	C8	H8	0.0°	0.1°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C11	0.1°	0.0°
H8	C8	C9	C10	180.0°	180.0°
H8	C8	C9	H9	0.0°	0.0°
C9	C10	C11	H11	179.9°	180.0°
H9	C9	C10	C11	180.0°	180.0°

Definition date:	2006-11-20
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB