Obsolete: NWB

NWB was replaced with CHH on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.47Å	1.51Å
N1	C10	sing	1.47Å	1.46Å
N1	C8	sing	1.47Å	1.44Å
N1	C9	sing	1.47Å	1.55Å
C2	C3	sing	1.53Å	1.58Å
C2	H2C1	sing	1.09Å	1.10Å
C2	HA2	sing	1.09Å	1.10Å
C3	C14	sing	1.53Å	1.43Å
C3	HA1	sing	1.09Å	1.10Å
C3	HB2	sing	1.09Å	1.10Å
C5	O7	doub	1.21Å	1.40Å
C5	C6	sing	1.51Å	1.32Å
C5	C14	sing	1.51Å	1.45Å
C6	H6C1	sing	1.09Å	1.11Å
C6	H6C2	sing	1.09Å	1.12Å
C6	H63	sing	1.09Å	1.11Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H103	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
C14	H141	sing	1.09Å	1.10Å
C14	H142	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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C10	111.6°	109.5°
C2	N1	C8	106.2°	109.5°
C2	N1	C9	118.0°	109.5°
N1	C2	C3	118.2°	109.5°
N1	C2	H2C1	104.7°	109.5°
N1	C2	HA2	106.7°	109.5°
C10	N1	C8	103.2°	109.5°
C10	N1	C9	110.7°	109.5°
N1	C10	H101	109.4°	109.5°
N1	C10	H102	109.5°	109.5°
N1	C10	H103	109.5°	109.5°
C8	N1	C9	105.7°	109.5°
N1	C8	H8C1	109.5°	109.5°
N1	C8	H8C2	109.5°	109.5°
N1	C8	H8C3	109.5°	109.5°
N1	C9	H9C1	109.4°	109.5°
N1	C9	H9C2	109.5°	109.5°
N1	C9	H9C3	109.5°	109.5°
C3	C2	H2C1	104.6°	109.4°
C3	C2	HA2	106.7°	109.4°
C2	C3	C14	110.4°	109.5°
C2	C3	HA1	108.9°	109.5°
C2	C3	HB2	109.2°	109.5°
H2C1	C2	HA2	116.6°	109.5°
C14	C3	HA1	109.0°	109.5°
C14	C3	HB2	109.1°	109.5°
C3	C14	C5	102.7°	109.5°
C3	C14	H141	113.2°	109.5°
C3	C14	H142	111.8°	109.5°
HA1	C3	HB2	110.2°	109.5°
O7	C5	C6	115.6°	120.0°
O7	C5	C14	125.6°	120.0°
C6	C5	C14	117.3°	120.0°
C5	C6	H6C1	110.0°	109.5°
C5	C6	H6C2	110.0°	109.5°
C5	C6	H63	115.6°	109.5°
C5	C14	H141	113.2°	109.5°
C5	C14	H142	111.8°	109.5°
H6C1	C6	H6C2	100.2°	109.5°
H6C1	C6	H63	110.0°	109.5°
H6C2	C6	H63	110.0°	109.5°
H101	C10	H102	109.5°	109.4°
H101	C10	H103	109.5°	109.5°
H102	C10	H103	109.5°	109.5°
H8C1	C8	H8C2	109.5°	109.4°
H8C1	C8	H8C3	109.5°	109.4°
H8C2	C8	H8C3	109.4°	109.4°
H141	C14	H142	104.4°	109.5°
H9C1	C9	H9C2	109.5°	109.5°
H9C1	C9	H9C3	109.4°	109.5°
H9C2	C9	H9C3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C10	C8	113.7°	120.0°
C2	N1	C10	C9	133.7°	120.0°
C2	N1	C8	C9	126.1°	120.0°
N1	C2	C3	H2C1	115.9°	120.0°
N1	C2	C3	HA2	120.0°	120.0°
N1	C2	H2C1	HA2	117.5°	120.1°
N1	C2	C3	C14	95.8°	180.0°
N1	C2	C3	HA1	144.6°	60.0°
N1	C2	C3	HB2	24.2°	60.0°
C2	N1	C10	H101	174.0°	60.0°
C2	N1	C10	H102	54.0°	180.0°
C2	N1	C10	H103	66.0°	60.0°
C2	N1	C8	H8C1	112.9°	60.0°
C2	N1	C8	H8C2	7.0°	180.0°
C2	N1	C8	H8C3	127.0°	60.0°
C2	N1	C9	H9C1	132.6°	60.0°
C2	N1	C9	H9C2	12.6°	180.0°
C2	N1	C9	H9C3	107.4°	60.0°
C10	N1	C8	C9	116.3°	120.0°
C10	N1	C2	C3	76.6°	60.0°
C10	N1	C2	H2C1	39.3°	60.0°
C10	N1	C2	HA2	163.4°	180.0°
N1	C10	H101	H102	120.0°	120.0°
N1	C10	H101	H103	120.0°	120.0°
N1	C10	H102	H103	120.0°	120.0°
C10	N1	C8	H8C1	129.5°	180.0°
C10	N1	C8	H8C2	110.5°	60.0°
C10	N1	C8	H8C3	9.5°	60.0°
C10	N1	C9	H9C1	2.3°	60.0°
C10	N1	C9	H9C2	117.8°	60.0°
C10	N1	C9	H9C3	122.2°	180.0°
C8	N1	C2	C3	171.7°	180.0°
C8	N1	C2	H2C1	72.5°	60.0°
C8	N1	C2	HA2	51.7°	60.0°
C8	N1	C10	H101	60.3°	60.0°
C8	N1	C10	H102	59.7°	60.0°
C8	N1	C10	H103	179.7°	180.0°
N1	C8	H8C1	H8C2	120.0°	120.1°
N1	C8	H8C1	H8C3	120.1°	120.0°
N1	C8	H8C2	H8C3	120.0°	120.1°
C8	N1	C9	H9C1	108.8°	180.0°
C8	N1	C9	H9C2	131.2°	60.0°
C8	N1	C9	H9C3	11.1°	60.0°
C9	N1	C2	C3	53.4°	60.0°
C9	N1	C2	H2C1	169.3°	180.0°
C9	N1	C2	HA2	66.6°	60.0°
C9	N1	C10	H101	52.4°	180.0°
C9	N1	C10	H102	172.4°	60.0°
C9	N1	C10	H103	67.6°	60.0°
C9	N1	C8	H8C1	13.2°	60.0°
C9	N1	C8	H8C2	133.2°	60.0°
C9	N1	C8	H8C3	106.8°	180.0°
N1	C9	H9C1	H9C2	120.0°	120.0°
N1	C9	H9C1	H9C3	120.0°	120.0°
N1	C9	H9C2	H9C3	120.0°	120.0°
C3	C2	H2C1	HA2	117.5°	119.9°
C2	C3	C14	HA1	119.6°	120.0°
C2	C3	C14	HB2	120.0°	120.0°
C2	C3	HA1	HB2	119.8°	120.0°
C2	C3	C14	C5	153.1°	180.0°
C2	C3	C14	H141	84.4°	60.0°
C2	C3	C14	H142	33.1°	60.0°
H2C1	C2	C3	C14	20.1°	60.0°
H2C1	C2	C3	HA1	99.5°	180.0°
H2C1	C2	C3	HB2	140.1°	60.0°
HA2	C2	C3	C14	144.2°	60.0°
HA2	C2	C3	HA1	24.6°	60.0°
HA2	C2	C3	HB2	95.8°	180.0°
C14	C3	HA1	HB2	119.7°	120.0°
C3	C14	C5	O7	0.6°	0.0°
C3	C14	C5	C6	164.9°	180.0°
C3	C14	C5	H141	122.4°	120.0°
C3	C14	C5	H142	120.0°	120.0°
C3	C14	H141	H142	121.8°	120.0°
HA1	C3	C14	C5	33.6°	60.0°
HA1	C3	C14	H141	156.0°	180.0°
HA1	C3	C14	H142	86.5°	60.0°
HB2	C3	C14	C5	86.8°	60.0°
HB2	C3	C14	H141	35.6°	60.0°
HB2	C3	C14	H142	153.1°	180.0°
O7	C5	C6	C14	166.9°	180.0°
O7	C5	C6	H6C1	54.7°	0.0°
O7	C5	C6	H6C2	54.7°	120.0°
O7	C5	C6	H63	180.0°	120.0°
O7	C5	C14	H141	121.9°	120.0°
O7	C5	C14	H142	120.6°	120.0°
C5	C6	H6C1	H6C2	115.8°	120.0°
C5	C6	H6C1	H63	128.4°	120.0°
C5	C6	H6C2	H63	128.4°	120.0°
C6	C5	C14	H141	72.7°	60.0°
C6	C5	C14	H142	44.9°	60.0°
C14	C5	C6	H6C1	138.4°	180.0°
C14	C5	C6	H6C2	112.2°	60.0°
C14	C5	C6	H63	13.1°	60.0°
C5	C14	H141	H142	121.8°	120.0°
H6C1	C6	H6C2	H63	115.8°	120.0°
H101	C10	H102	H103	120.0°	120.0°
H8C1	C8	H8C2	H8C3	120.0°	119.9°
H9C1	C9	H9C2	H9C3	120.0°	120.0°

Definition date:	2005-10-27
Last modified:	2008-10-14
Release status:	OBS
Processing site:	EBI
Replaced by:	CHH
Derived from:	2C5F