ZDC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C1M	sing	1.53Å	1.52Å
C1M	H1M1	sing	1.09Å	1.10Å
C1M	H1M2	sing	1.09Å	1.10Å
C1M	H1M3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	O5	sing	1.43Å	1.45Å
C1	C2	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.10Å
C2	O2	sing	1.43Å	1.41Å
O2	H2O	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.50Å
C3	H3	sing	1.09Å	1.10Å
C3	O3	sing	1.43Å	1.42Å
O3	H3O	sing	0.97Å	0.95Å
C3	C4	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.42Å
O4	H4O	sing	0.97Å	0.95Å
C4	C5	sing	1.53Å	1.54Å
C5	H5	sing	1.09Å	1.10Å
C5	O5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.54Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	C7	sing	1.51Å	1.53Å
C7	O7A	doub	1.21Å	1.23Å
C7	O7B	sing	1.34Å	1.32Å
O7B	H7OB	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C1M	H1M1	109.5°	109.5°
C1	C1M	H1M2	109.4°	109.5°
C1	C1M	H1M3	109.4°	109.5°
C1M	C1	H1	108.9°	109.5°
C1M	C1	O5	108.0°	109.4°
C1M	C1	C2	111.4°	109.5°
H1M1	C1M	H1M2	109.5°	109.4°
H1M1	C1M	H1M3	109.5°	109.5°
H1M2	C1M	H1M3	109.5°	109.5°
H1	C1	O5	109.8°	109.5°
H1	C1	C2	108.9°	109.5°
O5	C1	C2	109.9°	109.4°
C1	O5	C5	112.2°	114.1°
C1	C2	H2	108.4°	109.5°
C1	C2	O2	109.6°	109.5°
C1	C2	C3	110.9°	109.2°
H2	C2	O2	109.9°	109.5°
H2	C2	C3	108.7°	109.5°
C2	O2	H2O	109.5°	114.0°
O2	C2	C3	109.4°	109.6°
C2	C3	H3	108.9°	109.5°
C2	C3	O3	108.3°	109.5°
C2	C3	C4	110.3°	109.0°
H3	C3	O3	110.0°	109.5°
H3	C3	C4	108.4°	109.6°
C3	O3	H3O	109.5°	114.0°
O3	C3	C4	110.9°	109.6°
C3	C4	H4	108.9°	109.6°
C3	C4	O4	109.9°	109.5°
C3	C4	C5	108.5°	109.2°
H4	C4	O4	110.6°	109.5°
H4	C4	C5	108.9°	109.5°
C4	O4	H4O	109.5°	114.0°
O4	C4	C5	110.1°	109.6°
C4	C5	H5	107.1°	109.5°
C4	C5	O5	108.3°	109.4°
C4	C5	C6	111.8°	109.5°
H5	C5	O5	108.2°	109.4°
H5	C5	C6	107.0°	109.5°
O5	C5	C6	114.2°	109.4°
C5	C6	H61	111.5°	109.5°
C5	C6	H62	111.5°	109.4°
C5	C6	C7	101.3°	109.5°
H61	C6	H62	109.5°	109.4°
H61	C6	C7	111.4°	109.5°
H62	C6	C7	111.5°	109.4°
C6	C7	O7A	120.7°	120.0°
C6	C7	O7B	118.9°	120.0°
O7A	C7	O7B	120.4°	120.0°
C7	O7B	H7OB	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C1M	H1M1	H1M2	120.0°	120.0°
C1	C1M	H1M1	H1M3	120.0°	120.0°
C1	C1M	H1M2	H1M3	120.0°	120.0°
C1M	C1	H1	O5	118.0°	120.0°
C1M	C1	H1	C2	121.6°	120.1°
C1M	C1	O5	C2	121.6°	119.9°
C1M	C1	C2	H2	65.9°	177.7°
C1M	C1	C2	O2	54.1°	57.6°
C1M	C1	C2	C3	174.9°	62.4°
C1M	C1	O5	C5	177.0°	58.9°
H1M1	C1M	H1M2	H1M3	120.0°	120.0°
H1M1	C1M	C1	H1	60.8°	170.8°
H1M1	C1M	C1	O5	180.0°	50.8°
H1M1	C1M	C1	C2	59.3°	69.1°
H1M2	C1M	C1	H1	59.2°	69.2°
H1M2	C1M	C1	O5	60.0°	170.7°
H1M2	C1M	C1	C2	179.3°	50.8°
H1M3	C1M	C1	H1	179.2°	50.8°
H1M3	C1M	C1	O5	60.0°	69.2°
H1M3	C1M	C1	C2	60.7°	170.9°
H1	C1	O5	C2	119.8°	120.0°
H1	C1	C2	H2	54.2°	57.6°
H1	C1	C2	O2	174.1°	62.5°
H1	C1	C2	C3	65.0°	177.5°
H1	C1	O5	C5	58.4°	178.9°
O5	C1	C2	H2	174.5°	62.3°
O5	C1	C2	O2	65.5°	177.6°
O5	C1	C2	C3	55.3°	57.6°
C1	O5	C5	C4	64.1°	61.1°
C1	O5	C5	H5	179.8°	58.9°
C1	O5	C5	C6	61.1°	178.9°
C1	C2	H2	O2	119.8°	120.1°
C1	C2	H2	C3	120.6°	119.7°
C1	C2	O2	C3	121.8°	119.7°
C1	C2	O2	H2O	180.0°	60.0°
C1	C2	C3	H3	64.8°	176.9°
C1	C2	C3	O3	175.6°	63.0°
C1	C2	C3	C4	54.1°	57.0°
C2	C1	O5	C5	61.4°	61.1°
H2	C2	O2	C3	119.2°	120.2°
H2	C2	O2	H2O	60.9°	60.1°
H2	C2	C3	H3	54.3°	57.0°
H2	C2	C3	O3	65.3°	177.1°
H2	C2	C3	C4	173.1°	62.9°
O2	C2	C3	H3	174.2°	63.2°
O2	C2	C3	O3	54.6°	56.9°
O2	C2	C3	C4	66.9°	176.9°
H2O	O2	C2	C3	58.2°	179.7°
C2	C3	H3	O3	118.6°	120.1°
C2	C3	H3	C4	120.0°	119.6°
C2	C3	O3	C4	121.2°	119.6°
C2	C3	O3	H3O	180.0°	59.9°
C2	C3	C4	H4	62.1°	176.9°
C2	C3	C4	O4	176.6°	63.0°
C2	C3	C4	C5	56.2°	57.0°
H3	C3	O3	C4	120.0°	120.3°
H3	C3	O3	H3O	61.1°	60.2°
H3	C3	C4	H4	178.7°	63.2°
H3	C3	C4	O4	57.5°	56.8°
H3	C3	C4	C5	62.9°	176.8°
O3	C3	C4	H4	57.9°	57.0°
O3	C3	C4	O4	63.4°	177.1°
O3	C3	C4	C5	176.2°	62.9°
H3O	O3	C3	C4	58.8°	179.5°
C3	C4	H4	O4	120.8°	120.1°
C3	C4	H4	C5	118.1°	119.8°
C3	C4	O4	C5	119.4°	119.8°
C3	C4	O4	H4O	180.0°	60.0°
C3	C4	C5	H5	176.5°	62.3°
C3	C4	C5	O5	60.1°	57.6°
C3	C4	C5	C6	66.5°	177.6°
H4	C4	O4	C5	120.4°	120.1°
H4	C4	O4	H4O	59.7°	60.2°
H4	C4	C5	H5	58.2°	57.6°
H4	C4	C5	O5	58.3°	177.6°
H4	C4	C5	C6	175.1°	62.5°
O4	C4	C5	H5	63.2°	177.7°
O4	C4	C5	O5	179.7°	62.4°
O4	C4	C5	C6	53.7°	57.6°
H4O	O4	C4	C5	60.7°	179.8°
C4	C5	H5	O5	116.5°	119.9°
C4	C5	H5	C6	120.0°	120.1°
C4	C5	O5	C6	125.3°	120.0°
C4	C5	C6	H61	50.8°	64.9°
C4	C5	C6	H62	71.9°	55.0°
C4	C5	C6	C7	169.4°	175.0°
H5	C5	O5	C6	119.0°	120.0°
H5	C5	C6	H61	167.7°	175.0°
H5	C5	C6	H62	45.0°	65.0°
H5	C5	C6	C7	73.7°	54.9°
O5	C5	C6	H61	72.6°	55.0°
O5	C5	C6	H62	164.7°	175.0°
O5	C5	C6	C7	46.0°	65.0°
C5	C6	H61	H62	123.8°	120.0°
C5	C6	H61	C7	112.4°	120.1°
C5	C6	H62	C7	112.4°	120.0°
C5	C6	C7	O7A	64.9°	0.1°
C5	C6	C7	O7B	117.7°	180.0°
H61	C6	H62	C7	123.8°	120.0°
H61	C6	C7	O7A	176.4°	120.1°
H61	C6	C7	O7B	1.0°	59.9°
H62	C6	C7	O7A	53.8°	120.0°
H62	C6	C7	O7B	123.6°	60.0°
C6	C7	O7A	O7B	177.4°	180.0°
C6	C7	O7B	H7OB	177.4°	180.0°
O7A	C7	O7B	H7OB	0.0°	0.0°

Release date:	2016-02-10
Definition date:	2012-12-17
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	3DCQ