DVQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	O02	sing	1.43Å	1.38Å
C12	C10	sing	1.53Å	1.55Å
C10	N04	sing	1.47Å	1.31Å
C07	N04	sing	1.47Å	1.27Å
C07	C05	sing	1.53Å	1.51Å
N04	C08	sing	1.47Å	1.30Å
C08	C06	sing	1.53Å	1.54Å
C05	N03	sing	1.47Å	1.31Å
C06	N03	sing	1.47Å	1.32Å
N03	C09	sing	1.47Å	1.26Å
C09	C11	sing	1.53Å	1.51Å
O01	C11	sing	1.43Å	1.36Å
C05	H052	sing	1.09Å	1.10Å
C05	H051	sing	1.09Å	1.10Å
C06	H062	sing	1.09Å	1.10Å
C06	H061	sing	1.09Å	1.10Å
C07	H072	sing	1.09Å	1.10Å
C07	H071	sing	1.09Å	1.10Å
C08	H082	sing	1.09Å	1.10Å
C08	H081	sing	1.09Å	1.10Å
C09	H092	sing	1.09Å	1.10Å
C09	H091	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H101	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
O01	H011	sing	0.97Å	0.95Å
O02	H021	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O02	C12	C10	114.1°	109.4°
O02	C12	H121	108.3°	109.5°
O02	C12	H122	108.3°	109.5°
C12	O02	H021	109.5°	114.0°
C12	C10	N04	114.8°	109.5°
C12	C10	H102	108.1°	109.4°
C12	C10	H101	108.1°	109.4°
C10	C12	H121	108.3°	109.5°
C10	C12	H122	108.3°	109.5°
C10	N04	C07	109.7°	111.0°
C10	N04	C08	106.6°	111.0°
N04	C10	H102	108.1°	109.5°
N04	C10	H101	108.1°	109.5°
N04	C07	C05	105.0°	109.4°
C07	N04	C08	111.6°	110.8°
N04	C07	H072	110.6°	109.5°
N04	C07	H071	110.6°	109.5°
C07	C05	N03	112.9°	109.4°
C07	C05	H052	108.6°	109.5°
C07	C05	H051	108.6°	109.5°
C05	C07	H072	110.6°	109.5°
C05	C07	H071	110.6°	109.5°
N04	C08	C06	116.5°	109.4°
N04	C08	H082	107.7°	109.5°
N04	C08	H081	107.7°	109.5°
C08	C06	N03	114.4°	109.4°
C08	C06	H062	108.2°	109.6°
C08	C06	H061	108.2°	109.5°
C06	C08	H082	107.7°	109.5°
C06	C08	H081	107.7°	109.5°
C05	N03	C06	120.0°	110.9°
C05	N03	C09	112.0°	111.0°
N03	C05	H052	108.6°	109.5°
N03	C05	H051	108.6°	109.5°
C06	N03	C09	108.0°	111.0°
N03	C06	H062	108.2°	109.5°
N03	C06	H061	108.2°	109.5°
N03	C09	C11	110.7°	109.4°
N03	C09	H092	109.2°	109.4°
N03	C09	H091	109.2°	109.4°
C09	C11	O01	102.7°	109.5°
C11	C09	H092	109.1°	109.5°
C11	C09	H091	109.1°	109.5°
C09	C11	H112	111.2°	109.4°
C09	C11	H111	111.1°	109.5°
O01	C11	H112	111.1°	109.4°
O01	C11	H111	111.1°	109.5°
C11	O01	H011	109.5°	114.0°
H052	C05	H051	109.4°	109.5°
H062	C06	H061	109.4°	109.4°
H072	C07	H071	109.4°	109.5°
H082	C08	H081	109.5°	109.5°
H092	C09	H091	109.5°	109.5°
H102	C10	H101	109.5°	109.5°
H112	C11	H111	109.5°	109.5°
H121	C12	H122	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O02	C12	C10	H121	120.7°	120.0°
O02	C12	C10	H122	120.7°	120.0°
O02	C12	C10	N04	68.3°	64.6°
O02	C12	C10	H102	171.0°	175.4°
O02	C12	C10	H101	52.5°	55.4°
O02	C12	H121	H122	117.9°	120.0°
C12	C10	N04	H102	120.8°	119.9°
C12	C10	N04	H101	120.8°	120.0°
C12	C10	N04	C07	78.7°	75.6°
C12	C10	N04	C08	160.3°	160.7°
C12	C10	H102	H101	117.6°	119.9°
C10	C12	H121	H122	117.9°	120.0°
C10	C12	O02	H021	180.0°	180.0°
C10	N04	C07	C08	117.9°	123.8°
C10	N04	C07	C05	172.9°	64.5°
C10	N04	C08	C06	159.1°	64.5°
C10	N04	C07	H072	53.5°	55.5°
C10	N04	C07	H071	67.8°	175.5°
C10	N04	C08	H082	38.1°	175.5°
C10	N04	C08	H081	79.8°	55.4°
N04	C10	H102	H101	117.6°	120.1°
N04	C10	C12	H121	52.4°	175.4°
N04	C10	C12	H122	171.0°	55.3°
N04	C07	C05	H072	119.3°	119.9°
N04	C07	C05	H071	119.3°	120.0°
C07	N04	C08	C06	39.4°	59.3°
N04	C07	C05	N03	62.2°	58.4°
N04	C07	C05	H052	58.3°	178.4°
N04	C07	C05	H051	177.2°	61.6°
N04	C07	H072	H071	122.0°	120.1°
C07	N04	C08	H082	81.6°	60.7°
C07	N04	C08	H081	160.4°	179.3°
C07	N04	C10	H102	42.1°	44.3°
C07	N04	C10	H101	160.5°	164.4°
C05	C07	N04	C08	69.2°	59.3°
C07	C05	N03	H052	120.5°	120.0°
C07	C05	N03	H051	120.5°	120.0°
C07	C05	N03	C06	20.8°	59.3°
C07	C05	N03	C09	107.4°	176.8°
C07	C05	H052	H051	118.4°	120.0°
C05	C07	H072	H071	122.0°	120.1°
N04	C08	C06	H082	121.0°	120.0°
N04	C08	C06	H081	121.0°	120.0°
N04	C08	C06	N03	3.5°	58.4°
N04	C08	C06	H062	117.2°	61.6°
N04	C08	C06	H061	124.3°	178.4°
C08	N04	C07	H072	171.4°	179.3°
C08	N04	C07	H071	50.1°	60.6°
N04	C08	H082	H081	116.8°	120.0°
C08	N04	C10	H102	78.9°	79.4°
C08	N04	C10	H101	39.5°	40.7°
C08	C06	N03	C05	9.7°	59.3°
C08	C06	N03	H062	120.7°	120.0°
C08	C06	N03	H061	120.8°	120.0°
C08	C06	N03	C09	139.8°	176.8°
C08	C06	H062	H061	117.8°	120.1°
C06	C08	H082	H081	116.8°	120.0°
C05	N03	C06	C09	130.0°	123.9°
C05	N03	C09	C11	115.7°	170.0°
N03	C05	H052	H051	118.4°	120.0°
C05	N03	C06	H062	111.0°	60.7°
C05	N03	C06	H061	130.5°	179.3°
N03	C05	C07	H072	178.5°	178.4°
N03	C05	C07	H071	57.1°	61.5°
C05	N03	C09	H092	4.5°	70.0°
C05	N03	C09	H091	124.2°	50.0°
C06	N03	C09	C11	110.0°	66.2°
C06	N03	C05	H052	99.7°	179.3°
C06	N03	C05	H051	141.4°	60.7°
N03	C06	H062	H061	117.7°	120.0°
N03	C06	C08	H082	124.5°	61.6°
N03	C06	C08	H081	117.5°	178.4°
C06	N03	C09	H092	129.9°	53.8°
C06	N03	C09	H091	10.2°	173.8°
N03	C09	C11	H092	120.2°	119.9°
N03	C09	C11	H091	120.2°	120.0°
N03	C09	C11	O01	157.4°	65.0°
C09	N03	C05	H052	132.1°	56.8°
C09	N03	C05	H051	13.1°	63.2°
C09	N03	C06	H062	19.0°	63.2°
C09	N03	C06	H061	99.5°	56.8°
N03	C09	H092	H091	119.5°	120.0°
N03	C09	C11	H112	83.7°	175.0°
N03	C09	C11	H111	38.5°	55.0°
C09	C11	O01	H112	118.9°	119.9°
C09	C11	O01	H111	118.9°	120.0°
C11	C09	H092	H091	119.4°	120.1°
C09	C11	H112	H111	123.1°	120.0°
C09	C11	O01	H011	180.0°	180.0°
O01	C11	C09	H092	37.2°	175.0°
O01	C11	C09	H091	82.4°	54.9°
O01	C11	H112	H111	123.2°	120.0°
H052	C05	C07	H072	61.0°	61.7°
H052	C05	C07	H071	177.6°	58.4°
H051	C05	C07	H072	57.9°	58.4°
H051	C05	C07	H071	63.5°	178.5°
H062	C06	C08	H082	3.8°	178.4°
H062	C06	C08	H081	121.8°	58.4°
H061	C06	C08	H082	114.7°	58.4°
H061	C06	C08	H081	3.3°	61.6°
H092	C09	C11	H112	156.1°	55.1°
H092	C09	C11	H111	81.7°	64.9°
H091	C09	C11	H112	36.5°	65.0°
H091	C09	C11	H111	158.7°	175.0°
H102	C10	C12	H121	68.3°	55.3°
H102	C10	C12	H122	50.3°	64.7°
H101	C10	C12	H121	173.2°	64.6°
H101	C10	C12	H122	68.2°	175.3°
H112	C11	O01	H011	61.1°	60.0°
H111	C11	O01	H011	61.1°	60.0°
H121	C12	O02	H021	59.3°	60.0°
H122	C12	O02	H021	59.3°	60.1°

Release date:	2018-06-06
Definition date:	2018-02-02
Last modified:	2018-06-01
Release status:	REL
Processing site:	EBI
Derived from:	6FMZ