NHT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C6	sing	1.43Å	1.43Å
C6	C5	sing	1.53Å	1.53Å
C5	O5	sing	1.41Å	1.41Å
C5	C4	sing	1.53Å	1.52Å
O5	C1	sing	1.40Å	1.42Å
C4	O4	sing	1.43Å	1.44Å
C4	C3	sing	1.52Å	1.55Å
C3	O3	sing	1.43Å	1.44Å
C3	C2	sing	1.52Å	1.55Å
C2	N2	sing	1.46Å	1.48Å
C2	C1	sing	1.52Å	1.52Å
N2	C7	doub	1.29Å	1.31Å
C1	S1	sing	1.82Å	1.79Å
S1	C7	sing	1.77Å	1.78Å
C7	N1	sing	1.38Å	1.32Å
N1	C9	sing	1.47Å	1.46Å
C9	C10	sing	1.53Å	1.52Å
O6	H6	sing	0.97Å	0.95Å
C6	H6C1	sing	1.09Å	1.10Å
C6	H6C2	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
O4	HA	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HB	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C9	H9C1	sing	1.09Å	1.10Å
C9	H9C2	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
N1	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	C5	109.0°	109.5°
C6	O6	H6	109.5°	114.0°
O6	C6	H6C1	109.6°	109.4°
O6	C6	H6C2	109.7°	109.5°
C6	C5	O5	105.6°	109.8°
C6	C5	C4	115.6°	109.8°
C5	C6	H6C1	109.7°	109.5°
C5	C6	H6C2	109.7°	109.5°
C6	C5	H5	106.8°	109.9°
O5	C5	C4	105.3°	107.5°
C5	O5	C1	113.8°	119.3°
O5	C5	H5	116.8°	109.8°
C5	C4	O4	106.4°	109.7°
C5	C4	C3	108.9°	108.1°
C4	C5	H5	107.1°	110.0°
C5	C4	H4	113.0°	109.8°
O5	C1	C2	119.1°	117.4°
O5	C1	S1	118.7°	111.8°
O5	C1	H1	92.9°	108.5°
O4	C4	C3	112.7°	109.7°
O4	C4	H4	109.2°	109.7°
C4	O4	HA	109.5°	114.0°
C4	C3	O3	109.7°	109.0°
C4	C3	C2	112.7°	112.1°
C3	C4	H4	106.8°	109.7°
C4	C3	H3	108.9°	108.9°
O3	C3	C2	114.4°	109.0°
O3	C3	H3	107.0°	109.0°
C3	O3	HB	109.5°	114.0°
C3	C2	N2	103.7°	108.9°
C3	C2	C1	103.5°	114.3°
C2	C3	H3	103.6°	109.0°
C3	C2	H2	115.3°	107.7°
N2	C2	C1	105.3°	109.1°
C2	N2	C7	120.0°	119.0°
N2	C2	H2	113.8°	108.2°
C2	C1	S1	109.6°	102.1°
C2	C1	H1	106.5°	108.4°
C1	C2	H2	113.9°	108.4°
N2	C7	S1	110.6°	109.0°
N2	C7	N1	124.9°	125.5°
C1	S1	C7	92.4°	94.0°
S1	C1	H1	107.0°	108.2°
S1	C7	N1	124.4°	125.5°
C7	N1	C9	120.8°	120.0°
C7	N1	H13	119.6°	120.0°
N1	C9	C10	113.0°	109.5°
N1	C9	H9C1	108.3°	109.5°
N1	C9	H9C2	107.5°	109.5°
C9	N1	H13	119.6°	120.0°
C10	C9	H9C1	108.3°	109.5°
C10	C9	H9C2	107.5°	109.4°
C9	C10	H8	109.5°	109.4°
C9	C10	H11	109.5°	109.5°
C9	C10	H12	109.5°	109.5°
H6C1	C6	H6C2	109.1°	109.5°
H9C1	C9	H9C2	112.3°	109.5°
H8	C10	H11	109.5°	109.4°
H8	C10	H12	109.5°	109.5°
H11	C10	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	C5	H6C1	120.0°	120.0°
O6	C6	C5	H6C2	120.2°	120.0°
O6	C6	C5	O5	60.1°	65.1°
O6	C6	C5	C4	55.8°	177.0°
O6	C6	H6C1	H6C2	120.2°	120.0°
O6	C6	C5	H5	174.9°	55.8°
C6	C5	O5	C4	122.8°	119.4°
C6	C5	O5	H5	118.5°	121.0°
C6	C5	C4	H5	118.9°	121.1°
C6	C5	O5	C1	175.3°	175.6°
C6	C5	C4	O4	59.3°	56.6°
C6	C5	C4	C3	178.9°	176.2°
C5	C6	O6	H6	113.3°	180.0°
C5	C6	H6C1	H6C2	120.2°	120.0°
C6	C5	C4	H4	60.5°	64.0°
O5	C5	C4	H5	125.0°	119.5°
O5	C5	C4	O4	175.4°	176.0°
O5	C5	C4	C3	62.8°	64.4°
C5	O5	C1	C2	59.3°	37.1°
C5	O5	C1	S1	78.7°	80.4°
O5	C5	C6	H6C1	179.9°	175.0°
O5	C5	C6	H6C2	60.1°	55.0°
O5	C5	C4	H4	55.6°	55.4°
C5	O5	C1	H1	170.0°	160.3°
C4	C5	O5	C1	61.9°	56.2°
C5	C4	O4	C3	119.3°	118.7°
C5	C4	O4	H4	122.3°	120.7°
C5	C4	C3	H4	122.3°	119.8°
C5	C4	C3	O3	170.6°	177.1°
C5	C4	C3	C2	60.5°	56.4°
C4	C5	C6	H6C1	64.2°	57.0°
C4	C5	C6	H6C2	176.0°	63.0°
C5	C4	O4	HA	76.3°	61.3°
C5	C4	C3	H3	53.9°	64.2°
O5	C1	C2	C3	47.9°	25.4°
O5	C1	C2	N2	156.5°	147.6°
O5	C1	C2	S1	141.5°	122.6°
O5	C1	C2	H1	103.1°	123.3°
O5	C1	S1	H1	103.3°	119.4°
O5	C1	S1	C7	152.7°	149.4°
C1	O5	C5	H5	56.7°	63.4°
O5	C1	C2	H2	78.2°	94.7°
O4	C4	C3	H4	119.8°	120.6°
O4	C4	C3	O3	52.8°	63.3°
O4	C4	C3	C2	178.4°	176.1°
O4	C4	C5	H5	59.6°	64.5°
O4	C4	C3	H3	64.0°	55.5°
C4	C3	O3	C2	127.9°	122.5°
C4	C3	O3	H3	118.0°	118.7°
C4	C3	C2	H3	117.6°	120.5°
C4	C3	C2	N2	158.2°	159.1°
C4	C3	C2	C1	48.4°	36.7°
C3	C4	C5	H5	62.2°	55.2°
C3	C4	O4	HA	43.0°	180.0°
C4	C3	O3	HB	9.4°	57.5°
C4	C3	C2	H2	76.8°	83.7°
O3	C3	C2	H3	116.1°	118.8°
O3	C3	C2	N2	75.5°	80.2°
O3	C3	C2	C1	174.8°	157.4°
O3	C3	C4	H4	67.1°	57.3°
O3	C3	C2	H2	49.6°	36.9°
C3	C2	N2	C1	108.4°	125.4°
C3	C2	N2	H2	126.1°	116.8°
C3	C2	C1	H2	126.0°	120.1°
C3	C2	N2	C7	94.4°	109.0°
C3	C2	C1	S1	93.6°	97.3°
C2	C3	C4	H4	61.8°	63.3°
C3	C2	C1	H1	151.0°	148.7°
C2	C3	O3	HB	137.3°	180.0°
N2	C2	C1	H2	125.4°	117.7°
N2	C2	C1	S1	15.0°	25.0°
C2	N2	C7	S1	6.1°	2.1°
C2	N2	C7	N1	176.8°	177.9°
N2	C2	C1	H1	100.5°	89.1°
N2	C2	C3	H3	40.6°	38.6°
C1	C2	N2	C7	14.1°	16.4°
C2	C1	S1	H1	115.1°	114.2°
C2	C1	S1	C7	11.0°	23.1°
C1	C2	C3	H3	69.2°	83.8°
N2	C7	S1	C1	3.3°	15.8°
N2	C7	S1	N1	177.1°	180.0°
N2	C7	N1	C9	176.6°	180.0°
C7	N2	C2	H2	139.5°	134.2°
N2	C7	N1	H13	3.4°	0.0°
C1	S1	C7	N1	173.8°	164.2°
S1	C1	C2	H2	140.3°	142.6°
S1	C7	N1	C9	0.0°	0.0°
C7	S1	C1	H1	104.0°	91.1°
S1	C7	N1	H13	180.0°	180.0°
C7	N1	C9	H13	180.0°	180.0°
C7	N1	C9	C10	163.9°	180.0°
C7	N1	C9	H9C1	76.0°	60.0°
C7	N1	C9	H9C2	45.5°	60.1°
N1	C9	C10	H9C1	120.0°	120.0°
N1	C9	C10	H9C2	118.4°	120.0°
N1	C9	H9C1	H9C2	118.5°	120.0°
N1	C9	C10	H8	9.6°	60.0°
N1	C9	C10	H11	129.6°	59.9°
N1	C9	C10	H12	110.4°	180.0°
C10	C9	H9C1	H9C2	118.6°	119.9°
C9	C10	H8	H11	120.0°	120.0°
C9	C10	H8	H12	120.0°	120.0°
C9	C10	H11	H12	120.0°	120.1°
C10	C9	N1	H13	16.1°	0.0°
H6	O6	C6	H6C1	6.7°	60.0°
H6	O6	C6	H6C2	126.5°	60.0°
H6C1	C6	C5	H5	54.9°	64.1°
H6C2	C6	C5	H5	64.9°	175.9°
H5	C5	C4	H4	179.4°	174.9°
H4	C4	O4	HA	161.4°	59.4°
H4	C4	C3	H3	176.1°	176.1°
H1	C1	C2	H2	24.9°	28.6°
H3	C3	O3	HB	108.6°	61.2°
H3	C3	C2	H2	165.7°	155.7°
H9C1	C9	C10	H8	110.4°	60.0°
H9C1	C9	C10	H11	9.6°	180.0°
H9C1	C9	C10	H12	129.7°	60.0°
H9C1	C9	N1	H13	104.0°	120.0°
H9C2	C9	C10	H8	128.1°	180.0°
H9C2	C9	C10	H11	111.9°	60.0°
H9C2	C9	C10	H12	8.1°	60.0°
H9C2	C9	N1	H13	134.5°	119.9°
H8	C10	H11	H12	120.0°	120.0°

Definition date:	2008-06-10
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2VVN