A1BCG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.50Å
C1	C2	doub	1.34Å	1.37Å	Aromatic
C2	N	sing	1.37Å	1.37Å	Aromatic
N	C3	sing	1.37Å	1.37Å	Aromatic
C3	N1	sing	1.33Å	1.34Å	Aromatic
N1	C4	doub	1.31Å	1.34Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C6	C5	doub	1.40Å	1.39Å	Aromatic
C7	C6	sing	1.39Å	1.39Å	Aromatic
C1	C7	sing	1.46Å	1.44Å	Aromatic
C3	C7	doub	1.41Å	1.40Å	Aromatic
C5	C8	sing	1.47Å	1.48Å
O	C8	doub	1.22Å	1.20Å
C8	O1	sing	1.35Å	1.34Å
O1	C9	sing	1.45Å	1.45Å
C9	C10	sing	1.53Å	1.50Å
C10	N2	sing	1.46Å	1.47Å
N2	C11	sing	1.36Å	1.37Å
C11	C12	doub	1.35Å	1.35Å
C12	C13	sing	1.40Å	1.40Å
C13	C14	doub	1.36Å	1.36Å
C14	C15	sing	1.41Å	1.43Å
N2	C15	sing	1.35Å	1.39Å
C15	O2	doub	1.22Å	1.23Å
C4	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
N	H4	sing	0.97Å	1.00Å
C2	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	126.7°	126.6°
C	C1	C7	126.9°	126.6°
C1	C	H2	109.5°	109.5°
C1	C	H1	109.5°	109.5°
C1	C	H	109.5°	109.5°
C1	C2	N	109.9°	109.9°
C2	C1	C7	106.5°	106.8°
C1	C2	H3	125.0°	125.0°
C2	N	C3	108.6°	110.1°
C2	N	H4	125.7°	124.9°
N	C2	H3	125.1°	125.0°
N	C3	N1	125.4°	133.0°
N	C3	C7	108.4°	106.9°
C3	N	H4	125.7°	124.9°
C3	N1	C4	114.6°	121.9°
N1	C3	C7	126.2°	120.1°
N1	C4	C5	124.8°	121.4°
N1	C4	H5	117.6°	119.3°
C4	C5	C6	118.6°	119.0°
C4	C5	C8	121.1°	120.5°
C5	C4	H5	117.6°	119.3°
C5	C6	C7	118.4°	117.9°
C6	C5	C8	120.3°	120.5°
C5	C6	H6	120.8°	121.0°
C6	C7	C1	136.0°	134.2°
C6	C7	C3	117.4°	119.6°
C7	C6	H6	120.8°	121.0°
C1	C7	C3	106.6°	106.2°
C5	C8	O	124.3°	120.0°
C5	C8	O1	112.1°	120.0°
O	C8	O1	123.6°	120.0°
C8	O1	C9	116.2°	117.0°
O1	C9	C10	108.5°	109.5°
O1	C9	H7	109.7°	109.5°
O1	C9	H8	109.7°	109.5°
C9	C10	N2	112.2°	109.5°
C9	C10	H9	108.8°	109.5°
C9	C10	H10	108.8°	109.5°
C10	C9	H7	109.7°	109.4°
C10	C9	H8	109.8°	109.5°
C10	N2	C11	119.5°	119.6°
C10	N2	C15	118.0°	119.7°
N2	C10	H9	108.8°	109.5°
N2	C10	H10	108.8°	109.5°
N2	C11	C12	121.0°	120.7°
C11	N2	C15	122.4°	120.7°
N2	C11	H11	119.5°	119.7°
C11	C12	C13	119.3°	120.0°
C11	C12	H12	120.3°	120.0°
C12	C11	H11	119.5°	119.6°
C12	C13	C14	120.4°	119.3°
C12	C13	H13	119.8°	120.4°
C13	C12	H12	120.3°	120.0°
C13	C14	C15	121.4°	119.3°
C14	C13	H13	119.8°	120.3°
C13	C14	H14	119.3°	120.3°
C14	C15	N2	115.4°	120.1°
C14	C15	O2	124.9°	120.0°
C15	C14	H14	119.3°	120.4°
N2	C15	O2	119.8°	120.0°
H9	C10	H10	109.4°	109.4°
H7	C9	H8	109.5°	109.5°
H2	C	H1	109.5°	109.5°
H2	C	H	109.5°	109.4°
H1	C	H	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C7	179.7°	180.0°
C	C1	C2	N	179.7°	180.0°
C	C1	C7	C6	0.6°	0.0°
C	C1	C7	C3	179.6°	180.0°
C1	C	H2	H1	120.0°	120.1°
C1	C	H2	H	120.0°	120.0°
C1	C	H1	H	120.0°	120.0°
C	C1	C2	H3	0.3°	0.0°
C1	C2	N	H3	180.0°	179.9°
C1	C2	N	C3	0.1°	0.0°
C2	C1	C7	C6	179.6°	180.0°
C2	C1	C7	C3	0.2°	0.0°
C2	C1	C	H2	90.2°	90.0°
C2	C1	C	H1	149.8°	150.0°
C2	C1	C	H	29.9°	30.0°
C1	C2	N	H4	179.9°	180.0°
C2	N	C3	H4	180.0°	180.0°
C2	N	C3	N1	180.0°	180.0°
N	C2	C1	C7	0.0°	0.0°
C2	N	C3	C7	0.2°	0.0°
N	C3	N1	C7	179.8°	180.0°
N	C3	N1	C4	179.6°	180.0°
N	C3	C7	C6	179.6°	180.0°
N	C3	C7	C1	0.2°	0.0°
C3	N	C2	H3	179.9°	180.0°
C3	N1	C4	C5	0.1°	0.1°
N1	C3	C7	C6	0.2°	0.0°
N1	C3	C7	C1	179.9°	180.0°
C3	N1	C4	H5	179.9°	180.0°
N1	C3	N	H4	0.0°	0.0°
N1	C4	C5	H5	180.0°	179.9°
N1	C4	C5	C6	0.4°	0.1°
C4	N1	C3	C7	0.2°	0.0°
N1	C4	C5	C8	179.1°	179.9°
C4	C5	C6	C8	179.5°	180.0°
C4	C5	C6	C7	0.4°	0.0°
C4	C5	C8	O	176.6°	180.0°
C4	C5	C8	O1	3.1°	0.1°
C4	C5	C6	H6	179.6°	180.0°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C1	179.7°	180.0°
C5	C6	C7	C3	0.1°	0.0°
C6	C5	C8	O	2.9°	0.0°
C6	C5	C8	O1	177.4°	180.0°
C6	C5	C4	H5	179.6°	180.0°
C6	C7	C1	C3	179.8°	180.0°
C7	C6	C5	C8	179.1°	180.0°
C1	C7	C6	H6	0.3°	0.1°
C7	C1	C	H2	90.2°	90.0°
C7	C1	C	H1	29.8°	30.0°
C7	C1	C	H	149.8°	150.0°
C7	C1	C2	H3	180.0°	180.0°
C3	C7	C6	H6	179.9°	179.9°
C7	C3	N	H4	179.8°	180.0°
C5	C8	O	O1	179.7°	180.0°
C5	C8	O1	C9	165.5°	180.0°
C8	C5	C4	H5	0.9°	0.1°
C8	C5	C6	H6	0.9°	0.1°
O	C8	O1	C9	14.2°	0.0°
C8	O1	C9	C10	145.6°	180.0°
C8	O1	C9	H7	94.6°	60.0°
C8	O1	C9	H8	25.7°	60.0°
O1	C9	C10	H7	119.8°	120.0°
O1	C9	C10	H8	119.8°	120.0°
O1	C9	C10	N2	43.1°	65.0°
O1	C9	C10	H9	163.5°	55.0°
O1	C9	C10	H10	77.3°	175.0°
O1	C9	H7	H8	120.4°	120.0°
C9	C10	N2	H9	120.4°	120.0°
C9	C10	N2	H10	120.4°	120.1°
C9	C10	N2	C11	89.8°	90.0°
C9	C10	N2	C15	90.0°	89.7°
C9	C10	H9	H10	118.8°	120.0°
C10	C9	H7	H8	120.5°	120.0°
C10	N2	C11	C15	179.9°	179.7°
C10	N2	C11	C12	180.0°	180.0°
C10	N2	C15	C14	179.9°	179.7°
C10	N2	C15	O2	0.3°	0.2°
N2	C10	H9	H10	118.8°	120.0°
C10	N2	C11	H11	0.0°	0.0°
N2	C10	C9	H7	76.7°	175.0°
N2	C10	C9	H8	162.9°	55.1°
N2	C11	C12	H11	180.0°	180.0°
N2	C11	C12	C13	0.0°	0.0°
C11	N2	C15	C14	0.2°	0.6°
C11	N2	C15	O2	179.6°	180.0°
C11	N2	C10	H9	149.7°	150.0°
C11	N2	C10	H10	30.6°	30.0°
N2	C11	C12	H12	180.0°	180.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.0°	0.0°
C12	C11	N2	C15	0.1°	0.3°
C11	C12	C13	H13	180.0°	179.7°
C12	C13	C14	H13	180.0°	179.7°
C12	C13	C14	C15	0.0°	0.3°
C12	C13	C14	H14	180.0°	179.8°
C13	C12	C11	H11	180.0°	180.0°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	N2	0.1°	0.6°
C13	C14	C15	O2	179.6°	180.0°
C14	C13	C12	H12	179.9°	180.0°
C14	C15	N2	O2	179.8°	179.5°
C15	C14	C13	H13	180.0°	180.0°
C15	N2	C10	H9	30.4°	30.3°
C15	N2	C10	H10	149.5°	150.3°
N2	C15	C14	H14	179.9°	179.5°
C15	N2	C11	H11	179.8°	179.7°
O2	C15	C14	H14	0.3°	0.0°
H9	C10	C9	H7	43.7°	65.0°
H9	C10	C9	H8	76.6°	175.0°
H10	C10	C9	H7	162.8°	55.0°
H10	C10	C9	H8	42.5°	65.0°
H13	C13	C14	H14	0.0°	0.1°
H13	C13	C12	H12	0.1°	0.2°
H12	C12	C11	H11	0.0°	0.0°
H2	C	H1	H	120.0°	119.9°
H4	N	C2	H3	0.1°	0.1°

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