LMZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.34Å	1.39Å	Aromatic
N1	C6	sing	1.36Å	1.39Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C2	N3	sing	1.34Å	1.36Å	Aromatic
C2	O2	doub	1.21Å	1.39Å
N3	C4	sing	1.35Å	1.37Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C4	C5	sing	1.48Å	1.51Å	Aromatic
C4	O4	doub	1.22Å	1.38Å
C5	C6	doub	1.42Å	1.43Å	Aromatic
C5	N5	sing	1.32Å	1.44Å
C6	N7	sing	1.35Å	1.37Å
N7	C8	sing	1.46Å	1.50Å
N7	HN7	sing	0.97Å	1.02Å
C8	C9	sing	1.53Å	1.58Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.11Å
C9	O9	sing	1.43Å	1.40Å
C9	C10	sing	1.53Å	1.59Å
C9	H9	sing	1.09Å	1.12Å
O9	HO9	sing	0.97Å	0.95Å
C10	O10	sing	1.43Å	1.41Å
C10	C11	sing	1.53Å	1.65Å
C10	H10	sing	1.09Å	1.12Å
O10	HO10	sing	0.97Å	0.95Å
C11	O11	sing	1.43Å	1.44Å
C11	C12	sing	1.53Å	1.59Å
C11	H11	sing	1.09Å	1.11Å
O11	HO11	sing	0.97Å	0.95Å
C12	O12	sing	1.43Å	1.41Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.11Å
O12	HO12	sing	0.97Å	0.95Å
N5	O52	doub	1.22Å	1.24Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	125.9°	121.5°
C2	N1	HN1	106.4°	119.3°
N1	C2	N3	116.2°	122.8°
N1	C2	O2	116.9°	118.6°
C6	N1	HN1	106.5°	119.2°
N1	C6	C5	117.5°	118.6°
N1	C6	N7	116.7°	120.6°
N3	C2	O2	126.9°	118.6°
C2	N3	C4	125.4°	121.0°
C2	N3	HN3	116.7°	119.5°
C4	N3	HN3	117.9°	119.5°
N3	C4	C5	117.3°	118.4°
N3	C4	O4	114.4°	120.8°
C5	C4	O4	128.3°	120.8°
C4	C5	C6	117.6°	117.6°
C4	C5	N5	116.8°	121.2°
C6	C5	N5	125.5°	121.2°
C5	C6	N7	125.8°	120.8°
C5	N5	O52	119.6°	120.0°
C6	N7	C8	111.6°	120.0°
C6	N7	HN7	111.4°	119.9°
C8	N7	HN7	111.4°	120.0°
N7	C8	C9	113.9°	109.5°
N7	C8	H81	110.6°	109.4°
N7	C8	H82	110.6°	109.5°
C9	C8	H81	110.6°	109.4°
C9	C8	H82	110.6°	109.5°
C8	C9	O9	106.8°	109.5°
C8	C9	C10	126.3°	109.5°
C8	C9	H9	98.8°	109.4°
H81	C8	H82	99.7°	109.5°
O9	C9	C10	108.1°	109.5°
O9	C9	H9	120.6°	109.4°
C9	O9	HO9	106.9°	106.8°
C10	C9	H9	97.1°	109.5°
C9	C10	O10	111.4°	109.5°
C9	C10	C11	124.1°	109.5°
C9	C10	H10	96.7°	109.4°
O10	C10	C11	111.4°	109.5°
O10	C10	H10	114.7°	109.5°
C10	O10	HO10	111.3°	106.8°
C11	C10	H10	96.7°	109.5°
C10	C11	O11	96.4°	109.5°
C10	C11	C12	127.1°	109.5°
C10	C11	H11	104.8°	109.5°
O11	C11	C12	99.6°	109.5°
O11	C11	H11	130.5°	109.5°
C11	O11	HO11	96.4°	106.8°
C12	C11	H11	101.9°	109.5°
C11	C12	O12	104.4°	109.5°
C11	C12	H121	114.1°	109.5°
C11	C12	H122	114.1°	109.4°
O12	C12	H121	114.1°	109.4°
O12	C12	H122	114.1°	109.4°
C12	O12	HO12	104.4°	106.9°
H121	C12	H122	96.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	HN1	125.2°	179.5°
N1	C2	N3	O2	179.6°	179.7°
N1	C2	N3	C4	0.1°	0.2°
N1	C2	N3	HN3	179.9°	179.7°
C2	N1	C6	C5	5.1°	0.6°
C2	N1	C6	N7	174.1°	179.8°
C6	N1	C2	N3	2.6°	0.5°
C6	N1	C2	O2	177.7°	179.7°
N1	C6	C5	C4	4.8°	0.3°
N1	C6	C5	N7	179.2°	179.7°
N1	C6	C5	N5	179.5°	179.8°
N1	C6	N7	C8	83.5°	5.4°
N1	C6	N7	HN7	41.7°	174.7°
HN1	N1	C2	N3	122.7°	180.0°
HN1	N1	C2	O2	57.0°	0.2°
HN1	N1	C6	C5	120.1°	179.9°
HN1	N1	C6	N7	60.7°	0.3°
C2	N3	C4	HN3	180.0°	179.9°
C2	N3	C4	C5	0.0°	0.0°
C2	N3	C4	O4	179.9°	180.0°
O2	C2	N3	C4	179.5°	179.9°
O2	C2	N3	HN3	0.5°	0.0°
N3	C4	C5	O4	179.8°	180.0°
N3	C4	C5	C6	2.5°	0.0°
N3	C4	C5	N5	178.6°	179.9°
HN3	N3	C4	C5	180.0°	180.0°
HN3	N3	C4	O4	0.1°	0.1°
C4	C5	C6	N5	175.7°	179.9°
C4	C5	C6	N7	174.4°	180.0°
C4	C5	N5	O52	179.6°	5.2°
O4	C4	C5	C6	177.7°	180.0°
O4	C4	C5	N5	1.6°	0.0°
C5	C6	N7	C8	97.3°	174.9°
C5	C6	N7	HN7	137.5°	5.0°
C6	C5	N5	O52	4.7°	174.7°
N5	C5	C6	N7	1.3°	0.1°
C6	N7	C8	HN7	125.2°	179.9°
C6	N7	C8	C9	110.6°	180.0°
C6	N7	C8	H81	14.6°	60.1°
C6	N7	C8	H82	124.1°	59.9°
N7	C8	C9	H81	125.2°	120.0°
N7	C8	C9	H82	125.3°	120.1°
N7	C8	H81	H82	116.5°	120.0°
N7	C8	C9	O9	60.3°	59.9°
N7	C8	C9	C10	68.3°	180.0°
N7	C8	C9	H9	173.9°	60.0°
HN7	N7	C8	C9	14.6°	0.1°
HN7	N7	C8	H81	139.9°	120.0°
HN7	N7	C8	H82	110.6°	119.9°
C9	C8	H81	H82	116.4°	120.0°
C8	C9	O9	C10	138.5°	120.1°
C8	C9	O9	H9	111.3°	119.9°
C8	C9	C10	H9	106.4°	120.0°
C8	C9	O9	HO9	180.0°	60.0°
C8	C9	C10	O10	69.1°	60.0°
C8	C9	C10	C11	68.4°	180.0°
C8	C9	C10	H10	171.1°	60.0°
H81	C8	C9	O9	64.9°	60.0°
H81	C8	C9	C10	166.4°	60.0°
H81	C8	C9	H9	60.8°	180.0°
H82	C8	C9	O9	174.4°	180.0°
H82	C8	C9	C10	56.9°	60.0°
H82	C8	C9	H9	48.6°	60.0°
O9	C9	C10	H9	125.5°	120.0°
O9	C9	C10	O10	59.1°	180.0°
O9	C9	C10	C11	163.4°	60.0°
O9	C9	C10	H10	60.7°	60.1°
C10	C9	O9	HO9	41.5°	60.0°
C9	C10	O10	C11	143.0°	120.0°
C9	C10	O10	H10	108.5°	119.9°
C9	C10	C11	H10	102.7°	120.0°
C9	C10	O10	HO10	179.9°	60.0°
C9	C10	C11	O11	0.8°	60.0°
C9	C10	C11	C12	108.0°	NaN°
C9	C10	C11	H11	134.0°	60.0°
H9	C9	O9	HO9	68.7°	180.0°
H9	C9	C10	O10	175.5°	60.0°
H9	C9	C10	C11	38.0°	60.0°
H9	C9	C10	H10	64.7°	180.0°
O10	C10	C11	H10	119.8°	120.0°
O10	C10	C11	O11	138.3°	180.0°
O10	C10	C11	C12	114.5°	60.0°
O10	C10	C11	H11	3.4°	60.0°
C11	C10	O10	HO10	37.0°	60.1°
C10	C11	O11	C12	129.4°	120.0°
C10	C11	O11	H11	115.7°	120.0°
C10	C11	C12	H11	119.2°	120.0°
C10	C11	O11	HO11	180.0°	60.0°
C10	C11	C12	O12	22.1°	180.0°
C10	C11	C12	H121	103.1°	60.0°
C10	C11	C12	H122	147.4°	60.1°
H10	C10	O10	HO10	71.4°	179.9°
H10	C10	C11	O11	101.9°	60.0°
H10	C10	C11	C12	5.3°	60.0°
H10	C10	C11	H11	123.2°	180.0°
O11	C11	C12	H11	135.2°	120.0°
O11	C11	C12	O12	127.8°	60.0°
O11	C11	C12	H121	2.5°	60.0°
O11	C11	C12	H122	107.0°	180.0°
C12	C11	O11	HO11	50.6°	60.0°
C11	C12	O12	H121	125.2°	120.0°
C11	C12	O12	H122	125.3°	120.0°
C11	C12	H121	H122	120.1°	120.0°
C11	C12	O12	HO12	180.0°	180.0°
H11	C11	O11	HO11	64.3°	180.0°
H11	C11	C12	O12	97.1°	60.0°
H11	C11	C12	H121	137.7°	180.0°
H11	C11	C12	H122	28.2°	60.0°
O12	C12	H121	H122	120.0°	120.0°
H121	C12	O12	HO12	54.7°	60.0°
H122	C12	O12	HO12	54.8°	60.0°

Definition date:	1999-07-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1C41