DZX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C6	sing	1.43Å	1.40Å
C6	C5	sing	1.53Å	1.55Å
C5	C4	sing	1.53Å	1.56Å
C5	C1	sing	1.54Å	1.55Å
C4	O5	sing	1.43Å	1.39Å
C4	C3	sing	1.53Å	1.55Å
C3	O7	sing	1.43Å	1.40Å
C3	C2	sing	1.54Å	1.55Å
C2	C7	sing	1.55Å	1.54Å
C2	N1	sing	1.49Å	1.47Å
C7	C8	sing	1.54Å	1.53Å
C8	C1	sing	1.55Å	1.54Å
C1	N1	sing	1.49Å	1.49Å
O1	H1	sing	0.97Å	0.95Å
C6	H61C	sing	1.09Å	1.10Å
C6	H62C	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C1	HA	sing	1.09Å	1.10Å
O5	HB	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O7	H7	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C7	H71C	sing	1.09Å	1.10Å
C7	H72C	sing	1.09Å	1.10Å
N1	HC	sing	1.01Å	1.00Å
C8	H81C	sing	1.09Å	1.10Å
C8	H82C	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C6	C5	107.1°	109.5°
C6	O1	H1	109.5°	114.0°
O1	C6	H61C	110.1°	109.4°
O1	C6	H62C	110.1°	109.5°
C6	C5	C4	114.2°	109.6°
C6	C5	C1	110.8°	109.6°
C5	C6	H61C	110.1°	109.5°
C5	C6	H62C	110.0°	109.5°
C6	C5	H5	106.7°	109.6°
C4	C5	C1	111.4°	108.9°
C5	C4	O5	106.4°	109.4°
C5	C4	C3	116.9°	109.8°
C4	C5	H5	106.5°	109.5°
C5	C4	H4	107.7°	109.4°
C5	C1	C8	111.5°	107.8°
C5	C1	N1	112.8°	107.3°
C1	C5	H5	106.7°	109.7°
C5	C1	HA	110.0°	112.1°
O5	C4	C3	108.2°	109.4°
O5	C4	H4	109.8°	109.4°
C4	O5	HB	109.5°	114.0°
C4	C3	O7	105.5°	109.6°
C4	C3	C2	112.4°	108.9°
C3	C4	H4	107.7°	109.4°
C4	C3	H3	108.6°	109.5°
O7	C3	C2	111.1°	109.6°
O7	C3	H3	110.7°	109.6°
C3	O7	H7	109.5°	114.0°
C3	C2	C7	110.5°	107.8°
C3	C2	N1	110.5°	107.3°
C2	C3	H3	108.6°	109.7°
C3	C2	H2	110.8°	112.1°
C7	C2	N1	101.6°	104.2°
C2	C7	C8	106.0°	104.9°
C7	C2	H2	111.0°	112.3°
C2	C7	H71C	110.3°	110.4°
C2	C7	H72C	110.3°	110.3°
C2	N1	C1	103.6°	103.4°
N1	C2	H2	112.1°	112.7°
C2	N1	HC	110.9°	111.0°
C7	C8	C1	103.9°	104.8°
C8	C7	H71C	110.3°	110.4°
C8	C7	H72C	110.3°	110.3°
C7	C8	H81C	110.8°	110.3°
C7	C8	H82C	110.8°	110.4°
C8	C1	N1	101.1°	104.2°
C8	C1	HA	110.3°	112.2°
C1	C8	H81C	110.8°	110.4°
C1	C8	H82C	110.8°	110.4°
N1	C1	HA	110.9°	112.8°
C1	N1	HC	110.9°	111.0°
H61C	C6	H62C	109.5°	109.5°
H71C	C7	H72C	109.5°	110.4°
H81C	C8	H82C	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C6	C5	H61C	119.6°	119.9°
O1	C6	C5	H62C	119.6°	120.1°
O1	C6	C5	C4	145.9°	65.0°
O1	C6	C5	C1	87.3°	175.6°
O1	C6	H61C	H62C	121.1°	120.0°
O1	C6	C5	H5	28.4°	55.2°
C6	C5	C4	C1	126.5°	119.9°
C6	C5	C4	H5	117.5°	120.2°
C6	C5	C1	H5	115.8°	120.4°
C6	C5	C4	O5	33.9°	53.8°
C6	C5	C4	C3	154.9°	173.8°
C6	C5	C1	C8	64.4°	72.2°
C6	C5	C1	N1	177.2°	176.1°
C5	C6	O1	H1	180.0°	180.0°
C5	C6	H61C	H62C	121.1°	120.0°
C6	C5	C4	H4	83.8°	66.1°
C6	C5	C1	HA	58.3°	51.8°
C4	C5	C1	H5	115.9°	119.8°
C5	C4	O5	C3	126.4°	120.3°
C5	C4	O5	H4	116.2°	119.9°
C5	C4	C3	H4	121.3°	120.1°
C5	C4	C3	O7	151.8°	173.8°
C5	C4	C3	C2	30.6°	54.0°
C4	C5	C1	C8	64.0°	47.7°
C4	C5	C1	N1	48.9°	64.1°
C4	C5	C6	H61C	94.5°	175.1°
C4	C5	C6	H62C	26.2°	55.1°
C4	C5	C1	HA	173.3°	171.6°
C5	C4	O5	HB	180.0°	180.0°
C5	C4	C3	H3	89.5°	65.9°
C1	C5	C4	O5	92.6°	66.1°
C1	C5	C4	C3	28.3°	54.0°
C5	C1	N1	C2	70.7°	72.5°
C5	C1	C8	C7	89.2°	88.6°
C5	C1	C8	N1	120.1°	113.8°
C5	C1	C8	HA	122.5°	123.9°
C5	C1	N1	HA	124.0°	123.9°
C1	C5	C6	H61C	32.3°	55.6°
C1	C5	C6	H62C	153.0°	64.4°
C1	C5	C4	H4	149.7°	174.1°
C5	C1	N1	HC	170.3°	168.3°
C5	C1	C8	H81C	29.9°	30.2°
C5	C1	C8	H82C	151.7°	152.5°
O5	C4	C3	H4	118.6°	119.9°
O5	C4	C3	O7	31.8°	53.8°
O5	C4	C3	C2	89.4°	66.1°
O5	C4	C5	H5	151.5°	174.0°
O5	C4	C3	H3	150.4°	174.0°
C4	C3	O7	C2	122.0°	119.4°
C4	C3	O7	H3	117.3°	120.2°
C4	C3	C2	H3	120.2°	119.8°
C4	C3	C2	C7	58.4°	47.6°
C4	C3	C2	N1	53.2°	64.0°
C3	C4	C5	H5	87.6°	65.9°
C3	C4	O5	HB	53.6°	59.7°
C4	C3	O7	H7	180.0°	60.0°
C4	C3	C2	H2	178.1°	171.7°
O7	C3	C2	H3	121.9°	120.3°
O7	C3	C2	C7	59.5°	72.3°
O7	C3	C2	N1	171.1°	176.1°
O7	C3	C4	H4	86.9°	66.1°
O7	C3	C2	H2	64.0°	51.8°
C3	C2	C7	N1	117.3°	113.7°
C3	C2	C7	H2	123.4°	124.0°
C3	C2	N1	H2	124.1°	123.9°
C3	C2	C7	C8	92.4°	88.6°
C3	C2	N1	C1	71.7°	72.5°
C2	C3	C4	H4	151.9°	174.1°
C2	C3	O7	H7	58.0°	179.4°
C3	C2	C7	H71C	27.1°	30.3°
C3	C2	C7	H72C	148.2°	152.6°
C3	C2	N1	HC	169.2°	168.3°
C7	C2	N1	H2	118.6°	122.0°
C2	C7	C8	H71C	119.5°	118.9°
C2	C7	C8	H72C	119.5°	118.8°
C2	C7	C8	C1	4.0°	0.0°
C7	C2	N1	C1	45.6°	41.6°
C7	C2	C3	H3	178.6°	167.4°
C2	C7	H71C	H72C	121.6°	122.3°
C7	C2	N1	HC	73.5°	77.6°
C2	C7	C8	H81C	123.1°	118.9°
C2	C7	C8	H82C	115.1°	118.8°
N1	C2	C7	C8	24.9°	25.2°
C2	N1	C1	C8	48.4°	41.6°
C2	N1	C1	HC	119.1°	119.2°
C2	N1	C1	HA	165.4°	163.5°
N1	C2	C3	H3	67.0°	55.8°
N1	C2	C7	H71C	144.4°	144.1°
N1	C2	C7	H72C	94.5°	93.7°
C7	C8	C1	H81C	119.1°	118.8°
C7	C8	C1	H82C	119.1°	118.9°
C7	C8	C1	N1	30.9°	25.2°
C7	C8	C1	HA	148.3°	147.5°
C8	C7	C2	H2	144.3°	147.5°
C8	C7	H71C	H72C	121.6°	122.2°
C7	C8	H81C	H82C	122.6°	122.3°
C8	C1	N1	HA	116.9°	121.9°
C8	C1	C5	H5	179.9°	167.5°
C1	C8	C7	H71C	115.5°	118.9°
C1	C8	C7	H72C	123.4°	118.9°
C8	C1	N1	HC	70.6°	77.5°
C1	C8	H81C	H82C	122.6°	122.3°
N1	C1	C5	H5	67.0°	55.7°
C1	N1	C2	H2	164.2°	163.6°
N1	C1	C8	H81C	150.0°	144.0°
N1	C1	C8	H82C	88.2°	93.7°
H1	O1	C6	H61C	60.4°	60.0°
H1	O1	C6	H62C	60.4°	59.9°
H61C	C6	C5	H5	148.0°	64.7°
H62C	C6	C5	H5	91.2°	175.3°
H5	C5	C4	H4	33.8°	54.2°
H5	C5	C1	HA	57.4°	68.6°
H4	C4	O5	HB	63.8°	60.2°
H4	C4	C3	H3	31.8°	54.2°
HA	C1	N1	HC	46.3°	44.4°
HA	C1	C8	H81C	92.6°	93.7°
HA	C1	C8	H82C	29.2°	28.6°
H3	C3	O7	H7	62.7°	60.2°
H3	C3	C2	H2	57.9°	68.5°
H2	C2	C7	H71C	96.3°	93.6°
H2	C2	C7	H72C	24.8°	28.6°
H2	C2	N1	HC	45.1°	44.4°
H71C	C7	C8	H81C	3.6°	0.0°
H71C	C7	C8	H82C	125.4°	122.2°
H72C	C7	C8	H81C	117.5°	122.3°
H72C	C7	C8	H82C	4.3°	0.0°

Release date:	2015-03-25
Definition date:	2015-03-17
Last modified:	2015-03-20
Release status:	REL
Processing site:	EBI
Derived from:	4UFL