HQ6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	C9	doub	1.21Å	1.22Å
C9	C10	sing	1.51Å	1.55Å
C9	N2	sing	1.35Å	1.45Å
N2	C5	sing	1.47Å	1.48Å
C5	C6	sing	1.51Å	1.56Å
C5	C4	sing	1.55Å	1.57Å
C6	O6	sing	1.43Å	1.43Å
C6	C7	sing	1.54Å	1.54Å
C4	O4	sing	1.43Å	1.44Å
C4	C3	sing	1.46Å	1.57Å
C3	O3	sing	1.43Å	1.42Å
C3	C2	sing	1.54Å	1.58Å
C2	C8	sing	1.53Å	1.55Å
C2	N1	sing	1.44Å	1.47Å
C8	O8	sing	1.43Å	1.43Å
N1	C7	sing	1.48Å	1.46Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H103	sing	1.09Å	1.10Å
N2	H2	sing	0.97Å	1.00Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O6	HA	sing	0.97Å	0.95Å
C7	H71C	sing	1.09Å	1.10Å
C7	H72C	sing	1.09Å	1.10Å
O4	HB	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HC	sing	0.97Å	0.95Å
C2	HD	sing	1.09Å	1.10Å
C8	H81C	sing	1.09Å	1.10Å
C8	H82C	sing	1.09Å	1.10Å
N1	H1	sing	1.01Å	1.00Å
O8	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	C9	C10	122.2°	120.0°
O9	C9	N2	117.4°	120.0°
C10	C9	N2	120.4°	120.0°
C9	C10	H101	109.5°	109.5°
C9	C10	H102	109.5°	109.5°
C9	C10	H103	109.5°	109.5°
C9	N2	C5	126.0°	120.0°
C9	N2	H2	117.0°	120.0°
N2	C5	C6	116.6°	109.6°
N2	C5	C4	106.5°	109.6°
C5	N2	H2	117.0°	120.0°
N2	C5	H5	110.5°	109.6°
C6	C5	C4	118.2°	108.9°
C5	C6	O6	111.2°	108.7°
C5	C6	C7	116.3°	113.0°
C6	C5	H5	95.9°	109.6°
C5	C6	H6	101.6°	108.7°
C5	C4	O4	109.5°	109.0°
C5	C4	C3	122.9°	111.7°
C4	C5	H5	108.4°	109.7°
C5	C4	H4	99.8°	109.1°
O6	C6	C7	103.2°	108.8°
O6	C6	H6	115.2°	108.8°
C6	O6	HA	109.5°	114.0°
C6	C7	N1	113.7°	113.3°
C7	C6	H6	109.9°	108.7°
C6	C7	H71C	108.1°	108.7°
C6	C7	H72C	107.1°	108.7°
O4	C4	C3	111.1°	109.0°
O4	C4	H4	115.0°	109.0°
C4	O4	HB	109.5°	114.0°
C4	C3	O3	104.8°	108.9°
C4	C3	C2	112.8°	112.6°
C3	C4	H4	97.7°	109.0°
C4	C3	H3	111.1°	108.9°
O3	C3	C2	111.4°	108.9°
O3	C3	H3	112.5°	108.8°
C3	O3	HC	109.5°	114.0°
C3	C2	C8	112.2°	109.7°
C3	C2	N1	111.2°	108.3°
C2	C3	H3	104.4°	108.7°
C3	C2	HD	105.2°	109.7°
C8	C2	N1	105.5°	109.7°
C2	C8	O8	106.5°	109.5°
C8	C2	HD	110.9°	109.6°
C2	C8	H81C	110.4°	109.5°
C2	C8	H82C	111.1°	109.5°
C2	N1	C7	119.6°	113.6°
N1	C2	HD	111.9°	109.8°
C2	N1	H1	106.2°	111.0°
O8	C8	H81C	110.5°	109.5°
O8	C8	H82C	111.1°	109.5°
C8	O8	H8	109.5°	114.0°
N1	C7	H71C	108.1°	108.7°
N1	C7	H72C	107.2°	108.7°
C7	N1	H1	106.2°	111.0°
H101	C10	H102	109.4°	109.5°
H101	C10	H103	109.4°	109.5°
H102	C10	H103	109.5°	109.4°
H71C	C7	H72C	112.8°	108.6°
H81C	C8	H82C	107.2°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	C9	C10	N2	178.3°	179.7°
O9	C9	N2	C5	1.9°	0.0°
O9	C9	C10	H101	97.0°	0.0°
O9	C9	C10	H102	143.0°	120.0°
O9	C9	C10	H103	23.0°	120.0°
O9	C9	N2	H2	178.1°	180.0°
C10	C9	N2	C5	176.4°	179.7°
C9	C10	H101	H102	120.0°	120.0°
C9	C10	H101	H103	120.0°	120.0°
C9	C10	H102	H103	120.0°	120.0°
C10	C9	N2	H2	3.6°	0.3°
C9	N2	C5	H2	180.0°	180.0°
C9	N2	C5	C6	67.6°	85.0°
C9	N2	C5	C4	66.9°	155.6°
N2	C9	C10	H101	81.3°	179.8°
N2	C9	C10	H102	38.6°	59.7°
N2	C9	C10	H103	158.7°	60.2°
C9	N2	C5	H5	175.6°	35.2°
N2	C5	C6	C4	129.1°	119.8°
N2	C5	C6	H5	116.4°	120.3°
N2	C5	C4	H5	118.9°	120.3°
N2	C5	C6	O6	167.6°	27.5°
N2	C5	C6	C7	74.8°	148.4°
N2	C5	C4	O4	87.9°	42.4°
N2	C5	C4	C3	139.0°	162.9°
N2	C5	C6	H6	44.5°	90.8°
N2	C5	C4	H4	33.1°	76.5°
C6	C5	C4	H5	107.6°	119.9°
C5	C6	O6	C7	125.4°	123.4°
C5	C6	O6	H6	114.9°	118.3°
C5	C6	C7	H6	114.7°	120.8°
C6	C5	C4	O4	138.5°	162.2°
C6	C5	C4	C3	5.5°	77.2°
C5	C6	C7	N1	77.8°	42.2°
C6	C5	N2	H2	112.4°	95.0°
C6	C5	C4	H4	100.4°	43.3°
C5	C6	O6	HA	33.9°	180.0°
C5	C6	C7	H71C	162.2°	78.8°
C5	C6	C7	H72C	40.4°	163.2°
C4	C5	C6	O6	63.4°	147.3°
C4	C5	C6	C7	54.3°	91.7°
C5	C4	O4	C3	138.9°	122.2°
C5	C4	O4	H4	111.3°	118.9°
C5	C4	C3	H4	106.9°	120.6°
C5	C4	C3	O3	177.1°	177.7°
C5	C4	C3	C2	61.5°	61.5°
C4	C5	N2	H2	113.1°	24.4°
C4	C5	C6	H6	173.6°	29.1°
C5	C4	O4	HB	29.3°	180.0°
C5	C4	C3	H3	55.3°	59.2°
O6	C6	C7	H6	123.3°	118.3°
O6	C6	C7	N1	44.2°	163.1°
O6	C6	C5	H5	51.1°	92.8°
O6	C6	C7	H71C	75.8°	42.1°
O6	C6	C7	H72C	162.4°	75.9°
C6	C7	N1	C2	74.8°	41.9°
C6	C7	N1	H71C	120.0°	120.9°
C6	C7	N1	H72C	118.2°	121.0°
C7	C6	C5	H5	168.8°	28.2°
C7	C6	O6	HA	91.5°	56.5°
C6	C7	H71C	H72C	118.3°	118.1°
C6	C7	N1	H1	165.3°	167.8°
O4	C4	C3	H4	120.6°	118.9°
O4	C4	C3	O3	44.6°	57.1°
O4	C4	C3	C2	166.0°	177.9°
O4	C4	C5	H5	31.0°	77.9°
O4	C4	C3	H3	77.1°	61.4°
C4	C3	O3	C2	122.3°	123.1°
C4	C3	O3	H3	120.8°	118.5°
C4	C3	C2	H3	120.7°	120.7°
C4	C3	C2	C8	164.4°	158.9°
C4	C3	C2	N1	77.7°	81.4°
C3	C4	C5	H5	102.1°	42.6°
C3	C4	O4	HB	168.2°	57.8°
C4	C3	O3	HC	42.8°	180.0°
C4	C3	C2	HD	43.7°	38.4°
O3	C3	C2	H3	121.7°	118.4°
O3	C3	C2	C8	46.8°	38.0°
O3	C3	C2	N1	164.8°	157.8°
O3	C3	C4	H4	76.0°	61.7°
O3	C3	C2	HD	73.9°	82.4°
C3	C2	C8	N1	121.2°	118.9°
C3	C2	C8	HD	117.4°	120.5°
C3	C2	N1	HD	117.4°	119.7°
C3	C2	C8	O8	74.0°	175.0°
C3	C2	N1	C7	74.3°	95.4°
C2	C3	C4	H4	45.4°	59.1°
C2	C3	O3	HC	79.5°	56.9°
C3	C2	C8	H81C	166.0°	54.9°
C3	C2	C8	H82C	47.1°	65.0°
C3	C2	N1	H1	165.7°	138.7°
C8	C2	N1	HD	120.7°	120.6°
C2	C8	O8	H81C	120.0°	120.0°
C2	C8	O8	H82C	121.1°	120.0°
C8	C2	N1	C7	163.8°	144.9°
C8	C2	C3	H3	74.8°	80.4°
C2	C8	H81C	H82C	121.2°	120.0°
C8	C2	N1	H1	43.8°	19.0°
C2	C8	O8	H8	127.2°	180.0°
N1	C2	C8	O8	47.2°	66.1°
C2	N1	C7	H1	120.0°	125.9°
C2	N1	C7	H71C	165.2°	162.8°
C2	N1	C7	H72C	43.4°	79.1°
N1	C2	C3	H3	43.1°	39.3°
N1	C2	C8	H81C	72.8°	173.8°
N1	C2	C8	H82C	168.4°	53.9°
O8	C8	C2	HD	168.6°	54.5°
O8	C8	H81C	H82C	121.2°	120.0°
N1	C7	C6	H6	167.5°	78.6°
N1	C7	H71C	H72C	118.3°	118.2°
C7	N1	C2	HD	43.1°	24.3°
H101	C10	H102	H103	120.0°	120.0°
H2	N2	C5	H5	4.4°	144.7°
H5	C5	C6	H6	71.9°	149.0°
H5	C5	C4	H4	152.0°	163.2°
H6	C6	O6	HA	148.8°	61.8°
H6	C6	C7	H71C	47.5°	160.4°
H6	C6	C7	H72C	74.3°	42.5°
H4	C4	O4	HB	82.0°	61.1°
H4	C4	C3	H3	162.3°	179.8°
H71C	C7	N1	H1	45.2°	71.3°
H72C	C7	N1	H1	76.6°	46.8°
H3	C3	O3	HC	163.6°	61.5°
H3	C3	C2	HD	164.4°	159.1°
HD	C2	C8	H81C	48.6°	65.5°
HD	C2	C8	H82C	70.2°	174.5°
HD	C2	N1	H1	76.9°	101.6°
H81C	C8	O8	H8	112.9°	60.0°
H82C	C8	O8	H8	6.0°	60.0°

Definition date:	2008-12-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2W66