0FV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C8	sing	1.51Å	1.50Å
C8	C9	sing	1.51Å	1.50Å
C8	C7	doub	1.31Å	1.33Å
C6	C5	sing	1.53Å	1.51Å
C6	C7	sing	1.51Å	1.50Å
C5	C3	sing	1.51Å	1.50Å
C3	C4	sing	1.51Å	1.50Å
C3	C2	doub	1.31Å	1.32Å
F2	C2	sing	1.35Å	1.36Å
O1A	PA	doub	1.48Å	1.46Å
C2	C1	sing	1.51Å	1.49Å
PA	O1	sing	1.61Å	1.63Å
PA	O2A	sing	1.61Å	1.58Å
PA	O3A	sing	1.61Å	1.63Å
O1	C1	sing	1.43Å	1.44Å
O3A	PB	sing	1.61Å	1.62Å
O3B	PB	doub	1.48Å	1.60Å
PB	O2B	sing	1.61Å	1.59Å
PB	O1B	sing	1.61Å	1.48Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
O2A	H17	sing	0.97Å	0.95Å
O1B	H18	sing	0.97Å	0.95Å
O2B	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C8	C9	116.7°	120.0°
C10	C8	C7	123.8°	120.0°
C8	C10	H14	109.5°	109.5°
C8	C10	H15	109.4°	109.5°
C8	C10	H16	109.5°	109.4°
C9	C8	C7	119.4°	120.0°
C8	C9	H11	109.5°	109.5°
C8	C9	H12	109.5°	109.5°
C8	C9	H13	109.5°	109.5°
C8	C7	C6	122.1°	120.0°
C8	C7	H10	118.9°	120.0°
C5	C6	C7	112.2°	109.5°
C6	C5	C3	109.3°	109.5°
C6	C5	H6	109.5°	109.4°
C6	C5	H7	109.5°	109.4°
C5	C6	H8	108.8°	109.5°
C5	C6	H9	108.8°	109.4°
C7	C6	H8	108.8°	109.5°
C7	C6	H9	108.8°	109.5°
C6	C7	H10	118.9°	120.1°
C5	C3	C4	119.4°	120.0°
C5	C3	C2	118.9°	120.0°
C3	C5	H6	109.5°	109.5°
C3	C5	H7	109.5°	109.5°
C4	C3	C2	121.7°	120.0°
C3	C4	H3	109.5°	109.5°
C3	C4	H4	109.5°	109.4°
C3	C4	H5	109.5°	109.5°
C3	C2	F2	122.4°	120.0°
C3	C2	C1	121.4°	120.0°
F2	C2	C1	116.1°	120.0°
O1A	PA	O1	110.0°	109.4°
O1A	PA	O2A	108.8°	109.5°
O1A	PA	O3A	107.1°	109.5°
C2	C1	O1	107.2°	109.4°
C2	C1	H1	110.0°	109.5°
C2	C1	H2	110.0°	109.5°
O1	PA	O2A	107.0°	109.5°
O1	PA	O3A	111.1°	109.5°
PA	O1	C1	108.7°	123.0°
O2A	PA	O3A	112.8°	109.5°
PA	O2A	H17	109.5°	114.0°
PA	O3A	PB	124.4°	134.0°
O1	C1	H1	110.0°	109.5°
O1	C1	H2	110.0°	109.5°
O3A	PB	O3B	107.6°	109.5°
O3A	PB	O2B	106.6°	109.5°
O3A	PB	O1B	122.2°	109.5°
O3B	PB	O2B	109.8°	109.5°
O3B	PB	O1B	110.6°	109.4°
O2B	PB	O1B	99.3°	109.4°
PB	O2B	H19	109.5°	114.0°
PB	O1B	H18	109.5°	114.1°
H1	C1	H2	109.4°	109.5°
H3	C4	H4	109.5°	109.4°
H3	C4	H5	109.4°	109.5°
H4	C4	H5	109.5°	109.5°
H6	C5	H7	109.5°	109.5°
H8	C6	H9	109.5°	109.5°
H11	C9	H12	109.5°	109.4°
H11	C9	H13	109.4°	109.5°
H12	C9	H13	109.5°	109.5°
H14	C10	H15	109.5°	109.5°
H14	C10	H16	109.5°	109.4°
H15	C10	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C8	C9	C7	178.3°	180.0°
C10	C8	C7	C6	2.7°	173.9°
C10	C8	C7	H10	177.3°	6.1°
C10	C8	C9	H11	180.0°	94.6°
C10	C8	C9	H12	60.0°	25.4°
C10	C8	C9	H13	60.0°	145.4°
C8	C10	H14	H15	120.0°	120.1°
C8	C10	H14	H16	120.0°	120.0°
C8	C10	H15	H16	120.0°	119.9°
C9	C8	C7	C6	179.2°	6.1°
C9	C8	C7	H10	0.8°	174.0°
C8	C9	H11	H12	120.0°	120.0°
C8	C9	H11	H13	120.0°	120.0°
C8	C9	H12	H13	120.0°	120.0°
C9	C8	C10	H14	180.0°	89.9°
C9	C8	C10	H15	60.0°	150.0°
C9	C8	C10	H16	60.0°	30.0°
C8	C7	C6	C5	154.3°	120.2°
C8	C7	C6	H10	180.0°	180.0°
C8	C7	C6	H8	85.3°	0.1°
C8	C7	C6	H9	33.9°	119.9°
C7	C8	C9	H11	1.7°	85.4°
C7	C8	C9	H12	121.7°	154.7°
C7	C8	C9	H13	118.3°	34.6°
C7	C8	C10	H14	1.8°	90.0°
C7	C8	C10	H15	118.2°	30.1°
C7	C8	C10	H16	121.8°	150.0°
C5	C6	C7	H8	120.4°	120.0°
C5	C6	C7	H9	120.4°	120.0°
C6	C5	C3	H6	120.0°	120.0°
C6	C5	C3	H7	120.0°	120.0°
C6	C5	C3	C4	69.1°	85.0°
C6	C5	C3	C2	110.3°	95.0°
C6	C5	H6	H7	120.1°	119.9°
C5	C6	H8	H9	118.7°	120.0°
C5	C6	C7	H10	25.7°	59.9°
C7	C6	C5	C3	85.5°	180.0°
C7	C6	C5	H6	34.4°	60.0°
C7	C6	C5	H7	154.5°	60.0°
C7	C6	H8	H9	118.7°	120.0°
C5	C3	C4	C2	179.3°	180.0°
C5	C3	C2	F2	1.7°	6.0°
C5	C3	C2	C1	179.2°	174.0°
C5	C3	C4	H3	180.0°	95.0°
C5	C3	C4	H4	60.0°	25.0°
C5	C3	C4	H5	60.0°	145.0°
C3	C5	H6	H7	120.1°	120.1°
C3	C5	C6	H8	34.9°	60.0°
C3	C5	C6	H9	154.1°	60.0°
C4	C3	C2	F2	178.9°	173.9°
C4	C3	C2	C1	1.5°	6.1°
C3	C4	H3	H4	120.0°	119.9°
C3	C4	H3	H5	120.0°	120.1°
C3	C4	H4	H5	120.0°	120.0°
C4	C3	C5	H6	171.0°	35.0°
C4	C3	C5	H7	50.9°	155.0°
C3	C2	F2	C1	177.6°	180.0°
C3	C2	C1	O1	75.2°	115.5°
C3	C2	C1	H1	44.4°	4.4°
C3	C2	C1	H2	165.1°	124.5°
C2	C3	C4	H3	0.7°	85.1°
C2	C3	C4	H4	120.7°	155.0°
C2	C3	C4	H5	119.3°	35.0°
C2	C3	C5	H6	9.7°	145.1°
C2	C3	C5	H7	129.7°	25.0°
F2	C2	C1	O1	102.4°	64.5°
F2	C2	C1	H1	137.9°	175.6°
F2	C2	C1	H2	17.3°	55.5°
O1A	PA	O1	O2A	118.0°	120.0°
O1A	PA	O1	O3A	118.5°	120.0°
O1A	PA	O2A	O3A	118.7°	120.0°
O1A	PA	O1	C1	91.3°	55.0°
O1A	PA	O3A	PB	121.9°	45.0°
O1A	PA	O2A	H17	0.0°	180.0°
C2	C1	O1	PA	88.0°	180.0°
C2	C1	O1	H1	119.7°	120.0°
C2	C1	O1	H2	119.7°	120.0°
C2	C1	H1	H2	121.0°	120.0°
O1	PA	O2A	O3A	122.5°	120.0°
O1	PA	O3A	PB	118.0°	165.0°
PA	O1	C1	H1	152.3°	60.0°
PA	O1	C1	H2	31.6°	60.0°
O1	PA	O2A	H17	118.8°	60.0°
O2A	PA	O1	C1	150.8°	65.0°
O2A	PA	O3A	PB	2.2°	75.0°
O3A	PA	O1	C1	27.2°	175.0°
PA	O3A	PB	O3B	95.6°	45.0°
PA	O3A	PB	O2B	146.6°	75.0°
PA	O3A	PB	O1B	33.8°	165.0°
O3A	PA	O2A	H17	118.7°	60.0°
O1	C1	H1	H2	121.0°	120.0°
O3A	PB	O3B	O2B	115.7°	120.0°
O3A	PB	O3B	O1B	135.7°	120.0°
O3A	PB	O2B	O1B	127.7°	120.0°
O3A	PB	O1B	H18	128.2°	180.0°
O3A	PB	O2B	H19	116.3°	59.9°
O3B	PB	O2B	O1B	116.0°	120.0°
O3B	PB	O1B	H18	0.0°	60.0°
O3B	PB	O2B	H19	0.0°	180.0°
O2B	PB	O1B	H18	115.4°	60.0°
O1B	PB	O2B	H19	116.0°	60.0°
H3	C4	H4	H5	120.0°	120.0°
H6	C5	C6	H8	154.9°	180.0°
H6	C5	C6	H9	85.9°	60.0°
H7	C5	C6	H8	85.1°	60.1°
H7	C5	C6	H9	34.1°	179.9°
H8	C6	C7	H10	94.7°	179.9°
H9	C6	C7	H10	146.1°	60.1°
H11	C9	H12	H13	120.0°	120.0°
H14	C10	H15	H16	120.0°	120.0°

Definition date:	2012-01-04
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3V1X