61J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C5	sing	1.43Å	1.41Å
O07	P01	sing	1.61Å	1.53Å
C5	C6	sing	1.53Å	1.51Å
C5	C4	sing	1.53Å	1.51Å
O06	P01	doub	1.48Å	1.49Å
C6	O6	sing	1.43Å	1.41Å
C6	C7	sing	1.53Å	1.52Å
O4	C4	sing	1.43Å	1.41Å
P01	O8	sing	1.61Å	1.56Å
C8	O8	sing	1.43Å	1.03Å
C8	C7	sing	1.53Å	1.52Å
O6	C2	sing	1.43Å	1.41Å
C4	C3	sing	1.53Å	1.51Å
O02	C3	sing	1.43Å	1.41Å
C3	C2	sing	1.53Å	1.52Å
C2	C1	sing	1.53Å	1.51Å
C2	H1	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C1	H6A	sing	1.09Å	1.10Å
C1	H7A	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
O02	H9	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O5	HO5	sing	0.97Å	0.95Å
C7	H7	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
O07	H17	sing	0.97Å	0.95Å
P01	O1	sing	1.61Å	83.93Å
O1	H2	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C5	C6	109.4°	109.6°
O5	C5	C4	109.8°	109.5°
O5	C5	H5	110.0°	109.6°
C5	O5	HO5	109.5°	114.0°
O07	P01	O06	116.4°	109.5°
O07	P01	O8	99.4°	109.5°
P01	O07	H17	109.5°	114.0°
O07	P01	O1	60.9°	109.5°
C6	C5	C4	110.6°	109.2°
C5	C6	O6	108.1°	109.4°
C5	C6	C7	111.5°	109.5°
C6	C5	H5	108.5°	109.5°
C5	C6	H6	108.2°	109.5°
C5	C4	O4	108.6°	109.6°
C5	C4	C3	112.6°	109.1°
C5	C4	H4	109.0°	109.6°
C4	C5	H5	108.5°	109.5°
O06	P01	O8	105.6°	109.5°
O06	P01	O1	70.3°	109.4°
O6	C6	C7	111.2°	109.5°
C6	O6	C2	117.1°	114.1°
O6	C6	H6	109.6°	109.4°
C6	C7	C8	109.5°	109.5°
C7	C6	H6	108.1°	109.5°
C6	C7	H7	109.5°	109.5°
C6	C7	H13	109.4°	109.5°
O4	C4	C3	107.3°	109.5°
O4	C4	H4	110.4°	109.5°
C4	O4	HO4	109.5°	113.9°
P01	O8	C8	169.3°	123.0°
O8	P01	O1	151.3°	109.4°
O8	C8	C7	129.3°	109.5°
O8	C8	H81	104.3°	109.5°
O8	C8	H82	104.3°	109.5°
C8	C7	H7	109.4°	109.5°
C8	C7	H13	109.5°	109.4°
C7	C8	H81	104.3°	109.4°
C7	C8	H82	104.3°	109.5°
O6	C2	C3	113.4°	109.4°
O6	C2	C1	106.9°	109.5°
O6	C2	H1	110.4°	109.5°
C4	C3	O02	109.4°	109.6°
C4	C3	C2	113.0°	109.2°
C4	C3	H31	107.6°	109.5°
C3	C4	H4	109.0°	109.6°
O02	C3	C2	110.0°	109.5°
O02	C3	H31	108.9°	109.5°
C3	O02	H9	109.5°	114.1°
C3	C2	C1	108.0°	109.4°
C3	C2	H1	109.0°	109.4°
C2	C3	H31	107.6°	109.5°
C1	C2	H1	109.0°	109.5°
C2	C1	H6A	109.5°	109.5°
C2	C1	H7A	109.5°	109.4°
C2	C1	H8	109.5°	109.5°
H6A	C1	H7A	109.4°	109.4°
H6A	C1	H8	109.5°	109.5°
H7A	C1	H8	109.5°	109.5°
H7	C7	H13	109.5°	109.5°
H81	C8	H82	109.5°	109.5°
P01	O1	H2	90.0°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C5	C6	C4	121.1°	119.9°
O5	C5	C6	H5	120.0°	120.2°
O5	C5	C4	H5	120.2°	120.2°
O5	C5	C6	O6	179.8°	62.3°
O5	C5	C6	C7	57.3°	57.7°
O5	C5	C4	O4	68.8°	177.1°
O5	C5	C4	C3	172.5°	63.0°
O5	C5	C4	H4	51.6°	56.9°
O5	C5	C6	H6	61.5°	177.7°
O07	P01	O06	O8	109.1°	120.0°
O07	P01	O06	O1	41.1°	120.0°
O07	P01	O8	O1	43.6°	120.0°
O07	P01	O8	C8	46.5°	175.0°
O07	P01	O1	H2	90.0°	60.0°
C6	C5	C4	H5	118.9°	119.9°
C5	C6	O6	C7	122.7°	120.0°
C5	C6	O6	H6	117.8°	120.0°
C5	C6	C7	H6	118.8°	120.1°
C6	C5	C4	O4	170.4°	62.9°
C5	C6	C7	C8	141.5°	175.0°
C5	C6	O6	C2	60.7°	61.1°
C6	C5	C4	C3	51.7°	57.0°
C6	C5	C4	H4	69.3°	176.9°
C6	C5	O5	HO5	180.0°	180.0°
C5	C6	C7	H7	98.6°	65.0°
C5	C6	C7	H13	21.4°	55.0°
C4	C5	C6	O6	58.8°	57.6°
C4	C5	C6	C7	63.8°	177.6°
C5	C4	O4	C3	121.9°	119.6°
C5	C4	O4	H4	119.4°	120.2°
C5	C4	C3	H4	121.0°	119.9°
C5	C4	C3	O02	81.0°	176.9°
C5	C4	C3	C2	42.0°	57.0°
C5	C4	C3	H31	160.7°	62.9°
C4	C5	C6	H6	177.5°	62.3°
C5	C4	O4	HO4	180.0°	179.6°
C4	C5	O5	HO5	58.5°	60.3°
O06	P01	O8	O1	77.3°	120.0°
O06	P01	O8	C8	74.5°	55.0°
O06	P01	O07	H17	0.0°	60.0°
O06	P01	O1	H2	90.0°	180.0°
O6	C6	C7	H6	120.4°	120.0°
O6	C6	C7	C8	97.8°	65.0°
C6	O6	C2	C3	52.0°	61.1°
C6	O6	C2	C1	170.8°	58.8°
C6	O6	C2	H1	70.7°	178.9°
O6	C6	C5	H5	60.1°	177.5°
O6	C6	C7	H7	22.2°	55.0°
O6	C6	C7	H13	142.2°	175.0°
C6	C7	C8	O8	158.4°	180.0°
C6	C7	C8	H7	120.0°	120.0°
C6	C7	C8	H13	120.0°	120.0°
C7	C6	O6	C2	62.0°	178.8°
C7	C6	C5	H5	177.3°	62.5°
C6	C7	H7	H13	120.0°	120.0°
C6	C7	C8	H81	79.0°	60.0°
C6	C7	C8	H82	35.9°	60.0°
O4	C4	C3	H4	119.6°	120.2°
O4	C4	C3	O02	38.4°	57.0°
O4	C4	C3	C2	161.4°	63.0°
O4	C4	C3	H31	79.9°	177.2°
O4	C4	C5	H5	51.4°	56.9°
P01	O8	C8	C7	114.8°	180.0°
P01	O8	C8	H81	122.6°	60.0°
P01	O8	C8	H82	7.7°	60.0°
O8	P01	O07	H17	112.7°	180.0°
O8	P01	O1	H2	90.0°	60.1°
O8	C8	C7	H81	122.6°	120.0°
O8	C8	C7	H82	122.6°	120.0°
O8	C8	C7	H7	81.5°	60.0°
O8	C8	C7	H13	38.5°	60.0°
O8	C8	H81	H82	111.2°	120.0°
C8	O8	P01	O1	2.8°	65.0°
C8	C7	C6	H6	22.6°	54.9°
C8	C7	H7	H13	120.0°	120.0°
C7	C8	H81	H82	111.1°	120.0°
O6	C2	C3	C4	40.3°	57.6°
O6	C2	C3	O02	82.4°	177.6°
O6	C2	C3	C1	118.2°	120.0°
O6	C2	C3	H1	123.5°	120.0°
O6	C2	C1	H1	119.4°	120.1°
O6	C2	C3	H31	159.0°	62.3°
C2	O6	C6	H6	178.5°	58.8°
O6	C2	C1	H6A	180.0°	170.8°
O6	C2	C1	H7A	60.0°	69.3°
O6	C2	C1	H8	60.0°	50.7°
C4	C3	O02	C2	124.8°	119.8°
C4	C3	O02	H31	117.4°	120.1°
C4	C3	C2	H31	118.7°	119.9°
C4	C3	C2	C1	158.5°	62.4°
C4	C3	C2	H1	83.2°	177.6°
C3	C4	C5	H5	67.2°	176.8°
C4	C3	O02	H9	180.0°	179.7°
C3	C4	O4	HO4	58.1°	60.0°
O02	C3	C2	H31	118.6°	120.1°
O02	C3	C2	C1	35.8°	57.6°
O02	C3	C2	H1	154.1°	62.4°
O02	C3	C4	H4	158.0°	63.2°
C3	C2	C1	H1	118.3°	120.0°
C2	C3	C4	H4	79.0°	176.9°
C3	C2	C1	H6A	57.7°	50.8°
C3	C2	C1	H7A	177.6°	170.8°
C3	C2	C1	H8	62.3°	69.2°
C2	C3	O02	H9	55.2°	60.0°
C1	C2	C3	H31	82.8°	177.7°
C2	C1	H6A	H7A	120.0°	119.9°
C2	C1	H6A	H8	120.0°	120.1°
C2	C1	H7A	H8	120.0°	120.0°
H1	C2	C3	H31	35.6°	57.7°
H1	C2	C1	H6A	60.6°	69.1°
H1	C2	C1	H7A	59.4°	50.8°
H1	C2	C1	H8	179.4°	170.8°
H31	C3	C4	H4	39.7°	57.0°
H31	C3	O02	H9	62.5°	60.1°
H4	C4	C5	H5	171.8°	63.3°
H4	C4	O4	HO4	60.6°	60.2°
H5	C5	C6	H6	58.5°	57.6°
H5	C5	O5	HO5	60.9°	59.9°
H6	C6	C7	H7	142.6°	174.9°
H6	C6	C7	H13	97.4°	65.1°
H6A	C1	H7A	H8	120.0°	120.0°
H7	C7	C8	H81	41.1°	180.0°
H7	C7	C8	H82	155.9°	60.0°
H13	C7	C8	H81	161.0°	60.0°
H13	C7	C8	H82	84.1°	180.0°
H17	O07	P01	O1	45.1°	60.0°

Release date:	2016-03-02
Definition date:	2016-01-13
Last modified:	2025-12-01
Release status:	REL
Processing site:	EBI
Derived from:	5HCH