WW2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.60Å
C1	C6	sing	1.53Å	1.60Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
P1	F1	sing	1.67Å	1.45Å
O1	P1	doub	1.48Å	1.46Å
O2	P1	sing	1.61Å	1.67Å
P1	C7	sing	1.82Å	1.80Å
C2	C3	sing	1.53Å	1.59Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
O2	C6	sing	1.43Å	1.48Å
C3	C4	sing	1.53Å	1.59Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C5	C4	sing	1.53Å	1.58Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C6	C5	sing	1.53Å	1.60Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	112.1°	109.4°
C2	C1	H1	108.6°	109.5°
C2	C1	H1A	108.6°	109.4°
C1	C2	C3	112.4°	109.5°
C1	C2	H2	108.5°	109.4°
C1	C2	H2A	108.5°	109.4°
C6	C1	H1	108.6°	109.5°
C6	C1	H1A	108.6°	109.5°
C1	C6	O2	107.1°	109.5°
C1	C6	C5	107.3°	109.5°
C1	C6	H6	114.1°	109.5°
H1	C1	H1A	110.3°	109.5°
F1	P1	O1	85.5°	109.4°
F1	P1	O2	136.7°	109.5°
F1	P1	C7	99.6°	109.5°
O1	P1	O2	106.1°	109.5°
O1	P1	C7	105.5°	109.5°
O2	P1	C7	116.1°	109.5°
P1	O2	C6	120.9°	123.0°
P1	C7	H7	109.5°	109.4°
P1	C7	H7A	109.4°	109.4°
P1	C7	H7B	109.4°	109.5°
C3	C2	H2	108.5°	109.4°
C3	C2	H2A	108.5°	109.5°
C2	C3	C4	111.9°	109.5°
C2	C3	H3	108.7°	109.5°
C2	C3	H3A	108.7°	109.5°
H2	C2	H2A	110.4°	109.5°
O2	C6	C5	113.9°	109.5°
O2	C6	H6	107.5°	109.4°
C4	C3	H3	108.7°	109.4°
C4	C3	H3A	108.7°	109.5°
C3	C4	C5	110.9°	109.5°
C3	C4	H4	109.0°	109.5°
C3	C4	H4A	109.0°	109.4°
H3	C3	H3A	110.2°	109.5°
C5	C4	H4	109.0°	109.5°
C5	C4	H4A	109.0°	109.5°
C4	C5	C6	111.3°	109.4°
C4	C5	H5	108.8°	109.5°
C4	C5	H5A	108.8°	109.4°
H4	C4	H4A	110.0°	109.5°
C6	C5	H5	108.9°	109.5°
C6	C5	H5A	108.8°	109.5°
C5	C6	H6	107.2°	109.5°
H5	C5	H5A	110.1°	109.6°
H7	C7	H7A	109.4°	109.5°
H7	C7	H7B	109.5°	109.5°
H7A	C7	H7B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	120.0°	120.0°
C2	C1	C6	H1A	120.0°	119.9°
C2	C1	H1	H1A	118.9°	120.0°
C1	C2	C3	H2	120.0°	119.9°
C1	C2	C3	H2A	120.0°	120.0°
C1	C2	H2	H2A	118.8°	120.0°
C2	C1	C6	O2	179.6°	180.0°
C1	C2	C3	C4	50.1°	60.0°
C1	C2	C3	H3	69.9°	59.9°
C1	C2	C3	H3A	170.2°	180.0°
C2	C1	C6	C5	57.8°	60.0°
C2	C1	C6	H6	60.8°	60.1°
C6	C1	H1	H1A	118.9°	120.1°
C1	C6	O2	P1	133.6°	120.0°
C6	C1	C2	C3	53.8°	60.0°
C6	C1	C2	H2	173.8°	180.0°
C6	C1	C2	H2A	66.2°	60.0°
C1	C6	O2	C5	118.4°	120.0°
C1	C6	O2	H6	123.0°	120.0°
C1	C6	C5	C4	61.0°	60.0°
C1	C6	C5	H6	122.9°	120.0°
C1	C6	C5	H5	59.0°	59.9°
C1	C6	C5	H5A	179.1°	180.0°
H1	C1	C2	C3	173.8°	180.0°
H1	C1	C2	H2	66.2°	60.0°
H1	C1	C2	H2A	53.8°	60.0°
H1	C1	C6	O2	59.6°	60.0°
H1	C1	C6	C5	177.8°	180.0°
H1	C1	C6	H6	59.2°	59.9°
H1A	C1	C2	C3	66.2°	60.0°
H1A	C1	C2	H2	53.8°	60.0°
H1A	C1	C2	H2A	173.8°	NaN°
H1A	C1	C6	O2	60.4°	60.1°
H1A	C1	C6	C5	62.2°	59.9°
H1A	C1	C6	H6	179.2°	180.0°
F1	P1	O1	O2	137.5°	120.0°
F1	P1	O1	C7	98.8°	120.0°
F1	P1	O2	C7	142.3°	120.0°
F1	P1	O2	C6	119.7°	60.0°
F1	P1	C7	H7	180.0°	180.0°
F1	P1	C7	H7A	60.0°	60.0°
F1	P1	C7	H7B	60.0°	60.0°
O1	P1	O2	C7	116.9°	120.0°
O1	P1	O2	C6	139.6°	60.0°
O1	P1	C7	H7	92.1°	60.0°
O1	P1	C7	H7A	148.0°	180.0°
O1	P1	C7	H7B	27.9°	60.0°
P1	O2	C6	C5	108.0°	120.0°
P1	O2	C6	H6	10.6°	0.0°
O2	P1	C7	H7	25.2°	60.0°
O2	P1	C7	H7A	94.8°	60.0°
O2	P1	C7	H7B	145.2°	180.0°
C7	P1	O2	C6	22.7°	180.0°
P1	C7	H7	H7A	120.0°	119.9°
P1	C7	H7	H7B	120.0°	120.0°
P1	C7	H7A	H7B	120.0°	120.0°
C3	C2	H2	H2A	118.8°	120.1°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	120.0°	120.0°
C2	C3	H3	H3A	119.0°	120.0°
C2	C3	C4	C5	52.8°	60.0°
C2	C3	C4	H4	172.8°	180.0°
C2	C3	C4	H4A	67.1°	60.0°
H2	C2	C3	C4	170.1°	180.0°
H2	C2	C3	H3	50.1°	60.0°
H2	C2	C3	H3A	69.8°	60.0°
H2A	C2	C3	C4	69.9°	60.0°
H2A	C2	C3	H3	170.1°	179.9°
H2A	C2	C3	H3A	50.1°	60.0°
O2	C6	C5	C4	179.3°	180.0°
O2	C6	C5	H6	118.8°	120.0°
O2	C6	C5	H5	59.3°	60.1°
O2	C6	C5	H5A	60.8°	60.0°
C4	C3	H3	H3A	119.0°	120.0°
C3	C4	C5	H4	120.0°	120.0°
C3	C4	C5	H4A	120.0°	120.0°
C3	C4	H4	H4A	119.4°	120.0°
C3	C4	C5	C6	59.5°	60.0°
C3	C4	C5	H5	60.5°	60.0°
C3	C4	C5	H5A	179.5°	180.0°
H3	C3	C4	C5	67.1°	60.0°
H3	C3	C4	H4	52.9°	60.0°
H3	C3	C4	H4A	172.9°	180.0°
H3A	C3	C4	C5	172.9°	180.0°
H3A	C3	C4	H4	67.1°	60.0°
H3A	C3	C4	H4A	52.9°	60.0°
C5	C4	H4	H4A	119.4°	120.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	120.0°	120.0°
C4	C5	H5	H5A	119.2°	120.0°
C4	C5	C6	H6	62.0°	60.0°
H4	C4	C5	C6	179.5°	180.0°
H4	C4	C5	H5	59.5°	60.1°
H4	C4	C5	H5A	60.5°	60.0°
H4A	C4	C5	C6	60.4°	60.0°
H4A	C4	C5	H5	179.6°	179.9°
H4A	C4	C5	H5A	59.5°	60.0°
C6	C5	H5	H5A	119.3°	120.0°
H5	C5	C6	H6	178.0°	180.0°
H5A	C5	C6	H6	58.0°	59.9°
H7	C7	H7A	H7B	120.0°	120.1°

Definition date:	2009-10-22
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3K9B