A1BCM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.51Å
C1	C2	sing	1.38Å	1.40Å	Aromatic
C2	C3	doub	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.37Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C1	C6	doub	1.38Å	1.41Å	Aromatic
C6	C7	sing	1.51Å	1.51Å
C7	C8	sing	1.51Å	1.49Å
C8	N	doub	1.30Å	1.30Å	Aromatic
N	O	sing	1.21Å	1.41Å	Aromatic
O	C9	sing	1.34Å	1.34Å	Aromatic
C9	C10	sing	1.51Å	1.49Å
C10	C11	sing	1.51Å	1.51Å
C11	C12	sing	1.39Å	1.39Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.39Å	1.42Å	Aromatic
C14	N1	sing	1.39Å	1.35Å
N2	C14	doub	1.32Å	1.36Å	Aromatic
C15	N2	sing	1.32Å	1.34Å	Aromatic
C11	C15	doub	1.38Å	1.39Å	Aromatic
N3	C9	doub	1.31Å	1.29Å	Aromatic
C8	N3	sing	1.34Å	1.37Å	Aromatic
N1	H13	sing	0.97Å	1.00Å
N1	H14	sing	0.97Å	1.00Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C13	H12	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	119.5°	120.0°
C	C1	C6	121.9°	120.0°
C1	C	H2	109.5°	109.4°
C1	C	H1	109.5°	109.5°
C1	C	H	109.5°	109.5°
C1	C2	C3	121.3°	120.0°
C2	C1	C6	118.6°	120.0°
C1	C2	H3	119.3°	119.9°
C2	C3	C4	119.9°	120.0°
C2	C3	H4	120.0°	120.0°
C3	C2	H3	119.3°	120.0°
C3	C4	C5	120.0°	120.0°
C3	C4	H5	120.0°	120.0°
C4	C3	H4	120.1°	120.0°
C4	C5	C6	120.9°	120.0°
C5	C4	H5	120.0°	120.0°
C4	C5	H6	119.5°	120.0°
C5	C6	C1	119.3°	120.0°
C5	C6	C7	119.1°	120.0°
C6	C5	H6	119.6°	120.0°
C1	C6	C7	121.5°	120.0°
C6	C7	C8	114.6°	109.5°
C6	C7	H8	108.2°	109.4°
C6	C7	H7	108.2°	109.5°
C7	C8	N	124.6°	126.3°
C7	C8	N3	120.6°	126.2°
C8	C7	H8	108.2°	109.5°
C8	C7	H7	108.2°	109.5°
C8	N	O	103.2°	110.2°
N	C8	N3	114.8°	107.5°
N	O	C9	105.8°	109.8°
O	C9	C10	118.2°	126.5°
O	C9	N3	113.6°	106.9°
C9	C10	C11	113.2°	109.4°
C10	C9	N3	128.1°	126.5°
C9	C10	H10	108.5°	109.5°
C9	C10	H9	108.6°	109.5°
C10	C11	C12	121.7°	120.3°
C10	C11	C15	121.0°	120.4°
C11	C10	H10	108.5°	109.5°
C11	C10	H9	108.5°	109.5°
C11	C12	C13	120.6°	118.5°
C12	C11	C15	117.2°	119.3°
C11	C12	H11	119.7°	120.7°
C12	C13	C14	118.5°	119.1°
C12	C13	H12	120.7°	120.5°
C13	C12	H11	119.7°	120.7°
C13	C14	N1	121.2°	119.8°
C13	C14	N2	121.2°	120.6°
C14	C13	H12	120.8°	120.4°
N1	C14	N2	117.6°	119.7°
C14	N1	H13	109.5°	119.9°
C14	N1	H14	109.4°	120.0°
C14	N2	C15	118.2°	121.6°
N2	C15	C11	124.2°	120.9°
N2	C15	H15	117.9°	119.6°
C11	C15	H15	117.9°	119.5°
C9	N3	C8	102.6°	105.6°
H13	N1	H14	109.5°	120.0°
H8	C7	H7	109.4°	109.4°
H10	C10	H9	109.5°	109.4°
H2	C	H1	109.5°	109.5°
H2	C	H	109.4°	109.5°
H1	C	H	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C6	178.7°	179.7°
C	C1	C2	C3	178.1°	180.0°
C	C1	C6	C5	177.4°	179.7°
C	C1	C6	C7	4.7°	0.3°
C1	C	H2	H1	120.0°	120.0°
C1	C	H2	H	120.0°	120.0°
C1	C	H1	H	120.0°	120.0°
C	C1	C2	H3	1.9°	0.3°
C1	C2	C3	H3	180.0°	179.6°
C1	C2	C3	C4	0.1°	0.6°
C2	C1	C6	C5	1.3°	0.1°
C2	C1	C6	C7	176.6°	180.0°
C2	C1	C	H2	90.6°	89.9°
C2	C1	C	H1	149.4°	150.0°
C2	C1	C	H	29.4°	30.0°
C1	C2	C3	H4	179.9°	180.0°
C2	C3	C4	H4	180.0°	179.4°
C2	C3	C4	C5	0.2°	0.6°
C3	C2	C1	C6	0.7°	0.3°
C2	C3	C4	H5	179.8°	179.7°
C3	C4	C5	H5	180.0°	179.7°
C3	C4	C5	C6	0.4°	0.3°
C3	C4	C5	H6	179.6°	179.7°
C4	C3	C2	H3	179.9°	179.8°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	C1	1.2°	0.0°
C4	C5	C6	C7	176.8°	180.0°
C5	C4	C3	H4	179.8°	180.0°
C5	C6	C1	C7	177.9°	180.0°
C5	C6	C7	C8	0.1°	95.0°
C6	C5	C4	H5	179.6°	180.0°
C5	C6	C7	H8	120.8°	25.0°
C5	C6	C7	H7	120.7°	145.0°
C1	C6	C7	C8	177.9°	85.1°
C1	C6	C5	H6	178.9°	180.0°
C1	C6	C7	H8	61.3°	154.9°
C1	C6	C7	H7	57.2°	35.0°
C6	C1	C	H2	90.7°	89.7°
C6	C1	C	H1	29.3°	30.3°
C6	C1	C	H	149.3°	150.3°
C6	C1	C2	H3	179.3°	180.0°
C6	C7	C8	H8	120.7°	120.0°
C6	C7	C8	H7	120.8°	120.0°
C6	C7	C8	N	71.5°	90.0°
C6	C7	C8	N3	109.0°	90.0°
C7	C6	C5	H6	3.2°	0.0°
C6	C7	H8	H7	117.7°	120.0°
C7	C8	N	N3	179.5°	179.9°
C7	C8	N	O	179.7°	180.0°
C7	C8	N3	C9	179.5°	180.0°
C8	C7	H8	H7	117.7°	120.0°
C8	N	O	C9	1.3°	0.0°
N	C8	N3	C9	0.0°	0.1°
N	C8	C7	H8	167.8°	29.9°
N	C8	C7	H7	49.3°	149.9°
N	O	C9	C10	175.5°	180.0°
N	O	C9	N3	1.4°	0.0°
O	N	C8	N3	0.8°	0.1°
O	C9	C10	N3	176.4°	180.0°
O	C9	C10	C11	169.9°	90.0°
O	C9	N3	C8	0.9°	0.1°
O	C9	C10	H10	69.5°	150.0°
O	C9	C10	H9	49.4°	30.1°
C9	C10	C11	H10	120.6°	120.0°
C9	C10	C11	H9	120.6°	120.0°
C9	C10	C11	C12	81.6°	90.0°
C9	C10	C11	C15	101.8°	89.5°
C10	C9	N3	C8	175.6°	180.0°
C9	C10	H10	H9	118.3°	120.0°
C10	C11	C12	C15	176.8°	179.5°
C10	C11	C12	C13	176.1°	180.0°
C10	C11	C15	N2	176.4°	179.7°
C11	C10	C9	N3	13.6°	90.0°
C11	C10	H10	H9	118.3°	120.0°
C10	C11	C15	H15	3.6°	0.2°
C10	C11	C12	H11	3.9°	0.0°
C11	C12	C13	H11	180.0°	180.0°
C11	C12	C13	C14	0.4°	0.0°
C12	C11	C15	N2	0.4°	0.8°
C12	C11	C10	H10	39.0°	150.0°
C12	C11	C10	H9	157.9°	30.0°
C11	C12	C13	H12	179.6°	179.8°
C12	C11	C15	H15	179.6°	179.8°
C12	C13	C14	H12	180.0°	179.8°
C12	C13	C14	N1	179.1°	179.8°
C12	C13	C14	N2	0.2°	0.2°
C13	C12	C11	C15	0.7°	0.5°
C13	C14	N1	N2	179.4°	180.0°
C13	C14	N2	C15	0.5°	0.1°
C13	C14	N1	H13	179.4°	0.0°
C13	C14	N1	H14	60.6°	179.7°
C14	C13	C12	H11	179.6°	180.0°
N1	C14	N2	C15	178.8°	179.9°
C14	N1	H13	H14	120.0°	179.7°
N1	C14	C13	H12	0.9°	0.0°
C14	N2	C15	C11	0.2°	0.6°
N2	C14	N1	H13	0.0°	180.0°
N2	C14	N1	H14	120.0°	0.3°
N2	C14	C13	H12	179.8°	180.0°
C14	N2	C15	H15	179.8°	180.0°
N2	C15	C11	H15	180.0°	179.5°
C15	C11	C10	H10	137.7°	30.5°
C15	C11	C10	H9	18.8°	150.5°
C15	C11	C12	H11	179.3°	179.5°
N3	C9	C10	H10	106.9°	29.9°
N3	C9	C10	H9	134.2°	149.9°
N3	C8	C7	H8	11.7°	150.0°
N3	C8	C7	H7	130.2°	30.0°
H5	C4	C5	H6	0.4°	0.0°
H5	C4	C3	H4	0.2°	0.3°
H12	C13	C12	H11	0.4°	0.3°
H2	C	H1	H	120.0°	120.0°
H4	C3	C2	H3	0.1°	0.4°

Release date:	2024-10-16
Definition date:	2024-10-04
Last modified:	2024-10-11
Release status:	REL
Processing site:	RCSB
Derived from:	7HIR