WUL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C14	sing	1.43Å	1.49Å
C14	C15	sing	1.54Å	1.50Å
C14	C13	sing	1.55Å	1.53Å
C15	N3	sing	1.47Å	1.47Å
C13	C12	sing	1.55Å	1.56Å
C12	N3	sing	1.48Å	1.43Å
N3	C5	sing	1.47Å	1.51Å
C5	C3	sing	1.51Å	1.44Å
C3	N1	doub	1.30Å	1.34Å
C3	N2	sing	1.36Å	1.36Å
N1	C2	sing	1.34Å	1.35Å
C2	C7	sing	1.47Å	1.38Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C7	C11	sing	1.39Å	1.41Å	Aromatic
C7	C6	doub	1.40Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.40Å	Aromatic
C10	BR1	sing	1.89Å	1.97Å
C10	C9	sing	1.39Å	1.34Å	Aromatic
C9	C8	doub	1.38Å	1.41Å	Aromatic
C8	C6	sing	1.39Å	1.35Å	Aromatic
C6	O2	sing	1.35Å	1.39Å	Aromatic
O2	C1	sing	1.35Å	1.30Å	Aromatic
C1	C4	sing	1.41Å	1.40Å
C4	O1	doub	1.22Å	1.26Å
C4	N2	sing	1.35Å	1.37Å
O3	H3	sing	0.97Å	0.95Å
C14	H14	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C5	H51C	sing	1.09Å	1.10Å
C5	H52C	sing	1.09Å	1.10Å
N2	H2	sing	0.97Å	1.00Å
C11	H11	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C14	C15	108.6°	110.7°
O3	C14	C13	106.4°	110.7°
C14	O3	H3	109.5°	114.0°
O3	C14	H14	113.5°	110.7°
C15	C14	C13	101.1°	103.0°
C14	C15	N3	103.4°	107.2°
C15	C14	H14	113.4°	110.7°
C14	C15	H151	111.0°	109.9°
C14	C15	H152	111.0°	109.9°
C14	C13	C12	103.3°	101.6°
C13	C14	H14	112.9°	110.7°
C14	C13	H131	111.0°	111.0°
C14	C13	H132	111.0°	111.0°
C15	N3	C12	113.8°	108.6°
C15	N3	C5	114.3°	111.1°
N3	C15	H151	110.9°	109.9°
N3	C15	H152	111.0°	109.9°
C13	C12	N3	94.1°	104.8°
C12	C13	H131	111.0°	111.0°
C12	C13	H132	111.0°	111.0°
C13	C12	H121	113.2°	110.3°
C13	C12	H122	113.2°	110.4°
C12	N3	C5	117.9°	111.0°
N3	C12	H121	113.2°	110.4°
N3	C12	H122	113.2°	110.4°
N3	C5	C3	114.2°	109.5°
N3	C5	H51C	108.3°	109.5°
N3	C5	H52C	108.3°	109.5°
C5	C3	N1	121.6°	119.0°
C5	C3	N2	116.5°	119.1°
C3	C5	H51C	108.3°	109.5°
C3	C5	H52C	108.3°	109.5°
N1	C3	N2	121.9°	121.8°
C3	N1	C2	120.4°	121.1°
C3	N2	C4	119.6°	120.5°
C3	N2	H2	120.2°	119.8°
N1	C2	C7	132.4°	134.3°
N1	C2	C1	119.0°	120.0°
C7	C2	C1	108.5°	105.7°
C2	C7	C11	135.8°	134.1°
C2	C7	C6	106.4°	105.7°
C2	C1	O2	107.7°	109.0°
C2	C1	C4	120.3°	118.1°
C11	C7	C6	117.7°	120.2°
C7	C11	C10	114.4°	119.7°
C7	C11	H11	122.8°	120.1°
C7	C6	C8	124.9°	119.2°
C7	C6	O2	106.9°	108.3°
C11	C10	BR1	116.6°	119.9°
C11	C10	C9	128.9°	120.2°
C10	C11	H11	122.8°	120.1°
BR1	C10	C9	114.4°	119.9°
C10	C9	C8	114.0°	120.6°
C10	C9	H9	123.0°	119.7°
C9	C8	C6	119.9°	120.1°
C8	C9	H9	123.0°	119.7°
C9	C8	H8	120.0°	120.0°
C8	C6	O2	128.2°	132.5°
C6	C8	H8	120.0°	120.0°
C6	O2	C1	110.4°	111.3°
O2	C1	C4	131.9°	132.9°
C1	C4	O1	119.8°	120.8°
C1	C4	N2	118.4°	118.5°
O1	C4	N2	121.5°	120.8°
C4	N2	H2	120.2°	119.7°
H151	C15	H152	109.5°	110.0°
H131	C13	H132	109.5°	110.9°
H121	C12	H122	109.5°	110.4°
H51C	C5	H52C	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C14	C15	C13	111.7°	118.4°
O3	C14	C15	H14	127.2°	123.2°
O3	C14	C13	H14	125.2°	123.2°
O3	C14	C15	N3	92.4°	140.7°
O3	C14	C13	C12	70.6°	154.0°
O3	C14	C15	H151	26.7°	21.2°
O3	C14	C15	H152	148.6°	99.9°
O3	C14	C13	H131	170.3°	87.9°
O3	C14	C13	H132	48.3°	36.0°
C15	C14	C13	H14	121.5°	118.4°
C14	C15	N3	H151	119.0°	119.5°
C14	C15	N3	H152	119.0°	119.4°
C15	C14	C13	C12	42.7°	35.7°
C14	C15	N3	C12	12.7°	1.0°
C14	C15	N3	C5	126.8°	123.2°
C15	C14	O3	H3	180.0°	180.0°
C14	C15	H151	H152	122.8°	121.1°
C15	C14	C13	H131	76.3°	153.8°
C15	C14	C13	H132	161.7°	82.4°
C13	C14	C15	N3	19.3°	22.3°
C14	C13	C12	H131	119.0°	118.1°
C14	C13	C12	H132	119.0°	118.0°
C14	C13	C12	N3	47.5°	37.1°
C13	C14	O3	H3	71.9°	66.4°
C13	C14	C15	H151	138.3°	97.2°
C13	C14	C15	H152	99.7°	141.7°
C14	C13	H131	H132	122.9°	123.8°
C14	C13	C12	H121	164.8°	155.9°
C14	C13	C12	H122	69.9°	81.8°
C15	N3	C12	C13	37.2°	24.1°
C15	N3	C12	C5	138.0°	122.3°
C15	N3	C5	C3	53.9°	169.3°
N3	C15	C14	H14	140.5°	96.1°
N3	C15	H151	H152	122.8°	121.1°
C15	N3	C12	H121	154.5°	142.9°
C15	N3	C12	H122	80.2°	94.8°
C15	N3	C5	H51C	66.9°	49.2°
C15	N3	C5	H52C	174.5°	70.7°
C13	C12	N3	H121	117.4°	118.8°
C13	C12	N3	H122	117.4°	118.9°
C13	C12	N3	C5	100.8°	146.4°
C12	C13	C14	H14	164.2°	82.7°
C12	C13	H131	H132	122.9°	123.9°
C13	C12	H121	H122	127.2°	122.3°
C12	N3	C5	C3	168.4°	69.9°
C12	N3	C15	H151	106.3°	120.4°
C12	N3	C15	H152	131.7°	118.4°
N3	C12	C13	H131	71.6°	155.1°
N3	C12	C13	H132	166.4°	81.0°
N3	C12	H121	H122	127.3°	122.4°
C12	N3	C5	H51C	70.9°	170.1°
C12	N3	C5	H52C	47.7°	50.2°
N3	C5	C3	H51C	120.7°	120.0°
N3	C5	C3	H52C	120.7°	120.1°
N3	C5	C3	N1	110.6°	0.0°
N3	C5	C3	N2	68.4°	180.0°
C5	N3	C15	H151	114.2°	117.3°
C5	N3	C15	H152	7.8°	3.9°
C5	N3	C12	H121	16.5°	94.8°
C5	N3	C12	H122	141.8°	27.5°
N3	C5	H51C	H52C	117.9°	120.0°
C5	C3	N1	N2	178.9°	180.0°
C5	C3	N1	C2	175.7°	180.0°
C5	C3	N2	C4	175.3°	180.0°
C3	C5	H51C	H52C	117.8°	119.9°
C5	C3	N2	H2	4.7°	0.0°
C3	N1	C2	C7	179.5°	179.9°
C3	N1	C2	C1	3.0°	0.0°
N1	C3	N2	C4	5.7°	0.0°
N1	C3	C5	H51C	10.1°	120.1°
N1	C3	C5	H52C	128.7°	120.0°
N1	C3	N2	H2	174.3°	180.0°
N2	C3	N1	C2	5.4°	0.0°
C3	N2	C4	C1	3.7°	0.1°
C3	N2	C4	O1	177.7°	180.0°
C3	N2	C4	H2	180.0°	180.0°
N2	C3	C5	H51C	170.9°	59.9°
N2	C3	C5	H52C	52.3°	60.0°
N1	C2	C7	C1	177.7°	180.0°
N1	C2	C7	C11	1.4°	0.0°
N1	C2	C7	C6	177.2°	180.0°
N1	C2	C1	O2	178.7°	180.0°
N1	C2	C1	C4	1.1°	0.1°
C2	C7	C11	C6	175.5°	180.0°
C2	C7	C11	C10	174.7°	179.9°
C2	C7	C6	C8	179.1°	180.0°
C2	C7	C6	O2	1.4°	0.0°
C7	C2	C1	O2	0.6°	0.0°
C7	C2	C1	C4	179.2°	179.9°
C2	C7	C11	H11	5.2°	0.0°
C1	C2	C7	C11	176.4°	180.0°
C1	C2	C7	C6	0.5°	0.0°
C2	C1	O2	C6	1.5°	0.0°
C2	C1	O2	C4	179.8°	179.9°
C2	C1	C4	O1	175.6°	180.0°
C2	C1	C4	N2	1.5°	0.1°
C7	C11	C10	H11	180.0°	179.9°
C7	C11	C10	BR1	179.1°	180.0°
C7	C11	C10	C9	5.1°	0.0°
C11	C7	C6	C8	2.4°	0.0°
C11	C7	C6	O2	178.1°	180.0°
C6	C7	C11	C10	0.8°	0.0°
C7	C6	C8	C9	1.9°	0.0°
C7	C6	C8	O2	179.4°	180.0°
C7	C6	O2	C1	1.8°	0.0°
C6	C7	C11	H11	179.3°	179.9°
C7	C6	C8	H8	178.1°	179.9°
C11	C10	BR1	C9	176.4°	179.9°
C11	C10	C9	C8	5.6°	0.1°
C11	C10	C9	H9	174.4°	180.0°
BR1	C10	C9	C8	178.5°	180.0°
BR1	C10	C11	H11	0.9°	0.1°
BR1	C10	C9	H9	1.5°	0.0°
C10	C9	C8	H9	180.0°	179.9°
C10	C9	C8	C6	1.8°	0.1°
C9	C10	C11	H11	175.0°	180.0°
C10	C9	C8	H8	178.2°	179.9°
C9	C8	C6	H8	180.0°	180.0°
C9	C8	C6	O2	178.7°	180.0°
C8	C6	O2	C1	178.7°	180.0°
C6	C8	C9	H9	178.2°	180.0°
C6	O2	C1	C4	178.3°	179.9°
O2	C6	C8	H8	1.3°	0.0°
O2	C1	C4	O1	4.1°	0.1°
O2	C1	C4	N2	178.3°	180.0°
C1	C4	O1	N2	173.9°	179.9°
C1	C4	N2	H2	176.3°	179.9°
O1	C4	N2	H2	2.3°	0.0°
H3	O3	C14	H14	52.9°	56.9°
H14	C14	C15	H151	100.5°	144.4°
H14	C14	C15	H152	21.4°	23.3°
H14	C14	C13	H131	45.2°	35.4°
H14	C14	C13	H132	76.8°	159.2°
H131	C13	C12	H121	45.8°	86.0°
H131	C13	C12	H122	171.1°	36.3°
H132	C13	C12	H121	76.2°	37.9°
H132	C13	C12	H122	49.1°	160.2°
H9	C9	C8	H8	1.8°	0.0°

Definition date:	2012-03-20
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	4ANM