NWA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.47Å	1.48Å
N1	C8	sing	1.47Å	1.47Å
N1	C9	sing	1.47Å	1.47Å
N1	C10	sing	1.47Å	1.48Å
C2	C3	sing	1.53Å	1.53Å
C2	H2C1	sing	1.09Å	1.10Å
C2	H2C2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	H3C1	sing	1.09Å	1.10Å
C3	H3C2	sing	1.09Å	1.10Å
C5	O7	sing	1.43Å	1.43Å
C5	O8	sing	1.43Å	1.43Å
C5	C6	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.53Å
O7	H7	sing	0.97Å	0.95Å
O8	H8	sing	0.97Å	0.95Å
C6	H6C1	sing	1.09Å	1.10Å
C6	H6C2	sing	1.09Å	1.10Å
C6	H6C3	sing	1.09Å	1.10Å
C8	H8C1	sing	1.09Å	1.10Å
C8	H8C2	sing	1.09Å	1.10Å
C8	H8C3	sing	1.09Å	1.10Å
C9	H9C1	sing	1.09Å	1.10Å
C9	H9C2	sing	1.09Å	1.10Å
C9	H9C3	sing	1.09Å	1.10Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H103	sing	1.09Å	1.10Å
C4	H4C1	sing	1.09Å	1.10Å
C4	H4C2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C8	112.5°	109.4°
C2	N1	C9	106.2°	109.4°
C2	N1	C10	115.6°	109.5°
N1	C2	C3	120.7°	109.5°
N1	C2	H2C1	103.3°	109.5°
N1	C2	H2C2	105.9°	109.5°
C8	N1	C9	108.7°	109.5°
C8	N1	C10	107.7°	109.5°
N1	C8	H8C1	109.5°	109.5°
N1	C8	H8C2	109.5°	109.5°
N1	C8	H8C3	109.5°	109.5°
C9	N1	C10	105.7°	109.5°
N1	C9	H9C1	109.5°	109.5°
N1	C9	H9C2	109.5°	109.5°
N1	C9	H9C3	109.5°	109.5°
N1	C10	H101	109.4°	109.5°
N1	C10	H102	109.4°	109.4°
N1	C10	H103	109.5°	109.4°
C3	C2	H2C1	103.2°	109.4°
C3	C2	H2C2	105.9°	109.5°
C2	C3	C4	109.8°	109.5°
C2	C3	H3C1	109.3°	109.5°
C2	C3	H3C2	109.4°	109.5°
H2C1	C2	H2C2	118.8°	109.4°
C4	C3	H3C1	109.3°	109.4°
C4	C3	H3C2	109.3°	109.5°
C3	C4	C5	109.3°	109.5°
C3	C4	H4C1	109.5°	109.4°
C3	C4	H4C2	109.5°	109.5°
H3C1	C3	H3C2	109.8°	109.4°
O7	C5	O8	112.6°	109.5°
O7	C5	C6	98.3°	109.4°
O7	C5	C4	128.8°	109.5°
C5	O7	H7	109.5°	106.7°
O8	C5	C6	109.3°	109.5°
O8	C5	C4	111.1°	109.5°
C5	O8	H8	109.5°	106.9°
C6	C5	C4	91.4°	109.4°
C5	C6	H6C1	109.5°	109.5°
C5	C6	H6C2	109.5°	109.5°
C5	C6	H6C3	109.5°	109.5°
C5	C4	H4C1	109.6°	109.5°
C5	C4	H4C2	109.5°	109.5°
H6C1	C6	H6C2	109.5°	109.5°
H6C1	C6	H6C3	109.4°	109.5°
H6C2	C6	H6C3	109.4°	109.4°
H8C1	C8	H8C2	109.5°	109.4°
H8C1	C8	H8C3	109.5°	109.5°
H8C2	C8	H8C3	109.5°	109.5°
H9C1	C9	H9C2	109.5°	109.4°
H9C1	C9	H9C3	109.5°	109.5°
H9C2	C9	H9C3	109.4°	109.5°
H101	C10	H102	109.5°	109.5°
H101	C10	H103	109.4°	109.5°
H102	C10	H103	109.5°	109.5°
H4C1	C4	H4C2	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C8	C9	117.4°	119.9°
C2	N1	C8	C10	128.6°	120.0°
C2	N1	C9	C10	123.4°	120.0°
N1	C2	C3	H2C1	114.5°	120.1°
N1	C2	C3	H2C2	120.0°	120.0°
N1	C2	H2C1	H2C2	116.8°	120.0°
N1	C2	C3	C4	175.0°	180.0°
N1	C2	C3	H3C1	55.2°	60.0°
N1	C2	C3	H3C2	65.0°	60.0°
C2	N1	C8	H8C1	49.4°	60.0°
C2	N1	C8	H8C2	169.4°	180.0°
C2	N1	C8	H8C3	70.6°	60.0°
C2	N1	C9	H9C1	172.3°	60.1°
C2	N1	C9	H9C2	67.6°	180.0°
C2	N1	C9	H9C3	52.3°	60.0°
C2	N1	C10	H101	83.8°	60.0°
C2	N1	C10	H102	36.2°	180.0°
C2	N1	C10	H103	156.3°	60.1°
C8	N1	C9	C10	115.3°	120.1°
C8	N1	C2	C3	74.4°	60.0°
C8	N1	C2	H2C1	40.1°	60.0°
C8	N1	C2	H2C2	165.6°	180.0°
N1	C8	H8C1	H8C2	120.0°	120.0°
N1	C8	H8C1	H8C3	120.0°	120.1°
N1	C8	H8C2	H8C3	120.0°	120.0°
C8	N1	C9	H9C1	51.0°	180.0°
C8	N1	C9	H9C2	171.1°	60.1°
C8	N1	C9	H9C3	69.0°	59.9°
C8	N1	C10	H101	42.9°	59.9°
C8	N1	C10	H102	163.0°	60.0°
C8	N1	C10	H103	77.0°	180.0°
C9	N1	C2	C3	166.7°	180.0°
C9	N1	C2	H2C1	78.8°	60.0°
C9	N1	C2	H2C2	46.8°	60.0°
C9	N1	C8	H8C1	166.8°	59.9°
C9	N1	C8	H8C2	73.2°	60.0°
C9	N1	C8	H8C3	46.8°	180.0°
N1	C9	H9C1	H9C2	120.0°	119.9°
N1	C9	H9C1	H9C3	120.0°	120.1°
N1	C9	H9C2	H9C3	120.0°	120.1°
C9	N1	C10	H101	159.0°	180.0°
C9	N1	C10	H102	81.0°	60.0°
C9	N1	C10	H103	39.1°	59.9°
C10	N1	C2	C3	49.9°	60.0°
C10	N1	C2	H2C1	164.3°	180.0°
C10	N1	C2	H2C2	70.1°	60.0°
C10	N1	C8	H8C1	79.2°	180.0°
C10	N1	C8	H8C2	40.8°	60.1°
C10	N1	C8	H8C3	160.9°	60.0°
C10	N1	C9	H9C1	64.3°	59.9°
C10	N1	C9	H9C2	55.7°	60.0°
C10	N1	C9	H9C3	175.7°	180.0°
N1	C10	H101	H102	120.0°	119.9°
N1	C10	H101	H103	120.0°	120.0°
N1	C10	H102	H103	120.0°	119.9°
C3	C2	H2C1	H2C2	116.7°	119.9°
C2	C3	C4	H3C1	119.9°	120.0°
C2	C3	C4	H3C2	120.0°	120.0°
C2	C3	H3C1	H3C2	119.9°	120.0°
C2	C3	C4	C5	151.4°	180.0°
C2	C3	C4	H4C1	88.5°	60.0°
C2	C3	C4	H4C2	31.4°	60.0°
H2C1	C2	C3	C4	70.5°	60.0°
H2C1	C2	C3	H3C1	169.7°	180.0°
H2C1	C2	C3	H3C2	49.5°	60.1°
H2C2	C2	C3	C4	55.0°	60.0°
H2C2	C2	C3	H3C1	64.8°	60.0°
H2C2	C2	C3	H3C2	175.0°	NaN°
C4	C3	H3C1	H3C2	119.9°	120.0°
C3	C4	C5	O7	40.5°	64.9°
C3	C4	C5	O8	106.4°	175.0°
C3	C4	C5	C6	142.2°	55.0°
C3	C4	C5	H4C1	120.1°	120.0°
C3	C4	C5	H4C2	120.0°	120.0°
C3	C4	H4C1	H4C2	120.1°	120.0°
H3C1	C3	C4	C5	31.6°	60.0°
H3C1	C3	C4	H4C1	151.6°	NaN°
H3C1	C3	C4	H4C2	88.4°	60.1°
H3C2	C3	C4	C5	88.6°	60.0°
H3C2	C3	C4	H4C1	31.5°	60.1°
H3C2	C3	C4	H4C2	151.5°	180.0°
O7	C5	O8	C6	108.1°	120.0°
O7	C5	O8	C4	152.6°	120.0°
O7	C5	C6	C4	129.6°	120.0°
O7	C5	O8	H8	15.7°	60.0°
O7	C5	C6	H6C1	67.9°	180.0°
O7	C5	C6	H6C2	172.1°	59.9°
O7	C5	C6	H6C3	52.1°	60.0°
O7	C5	C4	H4C1	79.6°	175.0°
O7	C5	C4	H4C2	160.5°	55.1°
O8	C5	C6	C4	112.9°	120.0°
O8	C5	O7	H7	175.6°	60.0°
O8	C5	C6	H6C1	174.6°	60.0°
O8	C5	C6	H6C2	54.6°	180.0°
O8	C5	C6	H6C3	65.4°	60.0°
O8	C5	C4	H4C1	133.5°	55.0°
O8	C5	C4	H4C2	13.6°	65.0°
C6	C5	O7	H7	60.6°	180.0°
C6	C5	O8	H8	123.8°	60.0°
C5	C6	H6C1	H6C2	120.0°	120.0°
C5	C6	H6C1	H6C3	120.0°	120.0°
C5	C6	H6C2	H6C3	120.0°	120.0°
C6	C5	C4	H4C1	22.2°	65.0°
C6	C5	C4	H4C2	97.7°	175.0°
C4	C5	O7	H7	37.9°	60.1°
C4	C5	O8	H8	136.9°	180.0°
C4	C5	C6	H6C1	61.7°	60.0°
C4	C5	C6	H6C2	58.3°	60.0°
C4	C5	C6	H6C3	178.3°	179.9°
C5	C4	H4C1	H4C2	120.0°	120.0°
H6C1	C6	H6C2	H6C3	120.0°	120.0°
H8C1	C8	H8C2	H8C3	120.0°	120.0°
H9C1	C9	H9C2	H9C3	120.0°	120.0°
H101	C10	H102	H103	120.0°	120.1°

Definition date:	2005-10-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2C5F