A1AW2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR1	C1	sing	1.89Å	1.90Å
C1	C2	doub	1.38Å	1.38Å	Aromatic
C1	C12	sing	1.38Å	1.37Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.51Å	1.51Å
C4	C11	sing	1.38Å	1.39Å	Aromatic
C5	N1	sing	1.47Å	1.51Å
N1	C6	sing	1.48Å	1.51Å
N1	C10	sing	1.44Å	1.51Å
C6	C7	sing	1.46Å	1.51Å
C7	C8	sing	1.54Å	1.51Å
C8	N2	sing	1.44Å	1.50Å
N2	C9	sing	1.48Å	1.50Å
C9	C10	sing	1.54Å	1.52Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C5	H52	sing	1.09Å	1.10Å
C5	H53	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H103	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C7	H73	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	H93	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
N2	HN23	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR1	C1	C2	119.3°	120.0°
BR1	C1	C12	119.2°	120.0°
C2	C1	C12	121.4°	120.0°
C1	C2	C3	118.9°	120.0°
C1	C2	H2	120.5°	120.0°
C1	C12	C11	119.1°	120.0°
C1	C12	H12	120.4°	120.0°
C2	C3	C4	121.1°	120.0°
C3	C2	H2	120.5°	120.0°
C2	C3	H3	119.4°	120.0°
C3	C4	C5	120.7°	120.0°
C3	C4	C11	118.5°	120.1°
C4	C3	H3	119.5°	120.0°
C5	C4	C11	120.8°	120.0°
C4	C5	N1	113.2°	109.4°
C4	C5	H52	108.5°	109.5°
C4	C5	H53	108.5°	109.5°
C4	C11	C12	120.9°	120.0°
C4	C11	H11	119.5°	120.0°
C5	N1	C6	112.2°	111.0°
C5	N1	C10	112.6°	111.0°
N1	C5	H52	108.5°	109.5°
N1	C5	H53	108.5°	109.5°
C6	N1	C10	113.7°	110.0°
N1	C6	C7	111.6°	112.2°
N1	C6	H62	108.9°	109.0°
N1	C6	H63	109.0°	108.9°
N1	C10	C9	112.9°	112.5°
N1	C10	H102	108.6°	108.9°
N1	C10	H103	108.6°	108.9°
C6	C7	C8	114.3°	111.9°
C7	C6	H62	108.9°	108.9°
C7	C6	H63	108.9°	108.9°
C6	C7	H73	108.3°	109.0°
C6	C7	H72	108.3°	109.0°
C7	C8	N2	117.2°	108.7°
C8	C7	H73	108.3°	109.0°
C8	C7	H72	108.2°	109.0°
C7	C8	H83	107.5°	109.6°
C7	C8	H82	107.5°	109.6°
C8	N2	C9	115.1°	114.3°
N2	C8	H83	107.5°	109.6°
N2	C8	H82	107.5°	109.7°
C8	N2	HN23	108.1°	111.0°
N2	C9	C10	110.6°	112.8°
N2	C9	H93	109.2°	108.9°
N2	C9	H92	109.2°	108.7°
C9	N2	HN23	108.0°	111.0°
C9	C10	H102	108.6°	108.8°
C9	C10	H103	108.6°	108.8°
C10	C9	H93	109.2°	108.8°
C10	C9	H92	109.2°	108.8°
C12	C11	H11	119.5°	120.0°
C11	C12	H12	120.5°	120.0°
H52	C5	H53	109.5°	109.5°
H62	C6	H63	109.4°	108.9°
H102	C10	H103	109.4°	108.9°
H73	C7	H72	109.5°	108.9°
H83	C8	H82	109.5°	109.7°
H93	C9	H92	109.5°	108.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR1	C1	C2	C12	179.9°	179.7°
BR1	C1	C2	C3	179.9°	179.7°
BR1	C1	C12	C11	179.9°	179.7°
BR1	C1	C2	H2	0.1°	0.3°
BR1	C1	C12	H12	0.1°	0.2°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C2	C1	C12	C11	0.0°	0.0°
C1	C2	C3	H3	179.8°	180.0°
C2	C1	C12	H12	180.0°	180.0°
C12	C1	C2	C3	0.0°	0.0°
C1	C12	C11	C4	0.1°	NaN°
C1	C12	C11	H12	180.0°	179.9°
C12	C1	C2	H2	180.0°	180.0°
C1	C12	C11	H11	179.9°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	179.9°	180.0°
C2	C3	C4	C11	0.3°	0.1°
C3	C4	C5	C11	179.8°	179.9°
C3	C4	C5	N1	35.8°	90.0°
C3	C4	C11	C12	0.3°	0.0°
C4	C3	C2	H2	179.8°	180.0°
C3	C4	C5	H52	84.8°	150.0°
C3	C4	C5	H53	156.3°	30.0°
C3	C4	C11	H11	179.7°	180.0°
C4	C5	N1	H52	120.5°	120.0°
C4	C5	N1	H53	120.5°	120.0°
C4	C5	N1	C6	77.9°	170.0°
C4	C5	N1	C10	152.2°	67.3°
C5	C4	C11	C12	179.9°	180.0°
C5	C4	C3	H3	0.1°	0.0°
C4	C5	H52	H53	118.3°	120.0°
C5	C4	C11	H11	0.1°	0.1°
C11	C4	C5	N1	144.1°	90.0°
C4	C11	C12	H11	180.0°	180.0°
C11	C4	C3	H3	179.7°	180.0°
C11	C4	C5	H52	95.4°	30.0°
C11	C4	C5	H53	23.5°	150.0°
C4	C11	C12	H12	179.9°	179.9°
C5	N1	C6	C10	129.3°	123.2°
C5	N1	C6	C7	134.4°	156.5°
C5	N1	C10	C9	175.7°	142.9°
N1	C5	H52	H53	118.3°	120.0°
C5	N1	C6	H62	105.3°	35.8°
C5	N1	C6	H63	14.1°	82.9°
C5	N1	C10	H102	63.8°	96.4°
C5	N1	C10	H103	55.1°	22.2°
N1	C6	C7	H62	120.3°	120.7°
N1	C6	C7	H63	120.4°	120.6°
N1	C6	C7	C8	65.3°	60.8°
C6	N1	C10	C9	46.6°	93.9°
C6	N1	C5	H52	161.6°	70.0°
C6	N1	C5	H53	42.6°	50.0°
N1	C6	H62	H63	119.0°	118.7°
C6	N1	C10	H102	167.1°	26.8°
C6	N1	C10	H103	73.9°	145.3°
N1	C6	C7	H73	174.0°	178.5°
N1	C6	C7	H72	55.4°	59.8°
C10	N1	C6	C7	96.3°	80.3°
N1	C10	C9	N2	37.4°	41.6°
N1	C10	C9	H102	120.5°	120.7°
N1	C10	C9	H103	120.5°	120.7°
C10	N1	C5	H52	31.7°	52.6°
C10	N1	C5	H53	87.2°	172.7°
C10	N1	C6	H62	24.0°	159.0°
C10	N1	C6	H63	143.4°	40.3°
N1	C10	H102	H103	118.4°	118.5°
N1	C10	C9	H93	82.7°	79.3°
N1	C10	C9	H92	157.6°	162.3°
C6	C7	C8	H73	120.7°	120.6°
C6	C7	C8	H72	120.7°	120.6°
C6	C7	C8	N2	42.7°	78.6°
C7	C6	H62	H63	119.0°	118.7°
C6	C7	H73	H72	117.8°	118.8°
C6	C7	C8	H83	78.4°	41.2°
C6	C7	C8	H82	163.8°	161.6°
C7	C8	N2	H83	121.1°	119.7°
C7	C8	N2	H82	121.1°	119.8°
C7	C8	N2	C9	70.0°	93.4°
C8	C7	C6	H62	55.1°	178.5°
C8	C7	C6	H63	174.4°	59.8°
C8	C7	H73	H72	117.8°	118.8°
C7	C8	H83	H82	116.5°	120.4°
C7	C8	N2	HN23	169.2°	140.1°
C8	N2	C9	HN23	120.8°	126.5°
C8	N2	C9	C10	92.4°	41.8°
N2	C8	C7	H73	163.4°	160.8°
N2	C8	C7	H72	78.0°	42.0°
N2	C8	H83	H82	116.5°	120.5°
C8	N2	C9	H93	27.8°	162.7°
C8	N2	C9	H92	147.5°	78.9°
N2	C9	C10	H93	120.2°	120.9°
N2	C9	C10	H92	120.2°	120.7°
N2	C9	C10	H102	83.1°	79.1°
N2	C9	C10	H103	158.0°	162.4°
C9	N2	C8	H83	51.1°	26.4°
C9	N2	C8	H82	168.9°	146.9°
N2	C9	H93	H92	119.5°	118.3°
C9	C10	H102	H103	118.5°	118.5°
C10	C9	H93	H92	119.5°	118.4°
C10	C9	N2	HN23	146.8°	168.4°
H2	C2	C3	H3	0.2°	0.0°
H62	C6	C7	H73	65.6°	57.8°
H62	C6	C7	H72	175.8°	60.9°
H63	C6	C7	H73	53.7°	60.9°
H63	C6	C7	H72	64.9°	179.6°
H102	C10	C9	H93	156.8°	160.0°
H102	C10	C9	H92	37.1°	41.6°
H103	C10	C9	H93	37.8°	41.4°
H103	C10	C9	H92	81.9°	76.9°
H11	C11	C12	H12	0.2°	0.0°
H73	C7	C8	H83	42.3°	79.5°
H73	C7	C8	H82	75.5°	41.0°
H72	C7	C8	H83	160.9°	161.8°
H72	C7	C8	H82	43.1°	77.8°
H83	C8	N2	HN23	69.7°	100.2°
H82	C8	N2	HN23	48.1°	20.3°
H93	C9	N2	HN23	93.0°	70.8°
H92	C9	N2	HN23	26.6°	47.6°

Release date:	2025-03-26
Definition date:	2024-07-10
Last modified:	2025-03-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HA5