A1A5D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C3	C2	sing	1.53Å	1.54Å
C3	N1	sing	1.47Å	1.46Å
C2	C14	sing	1.51Å	1.54Å
N1	C4	sing	1.35Å	1.34Å
C6	C7	doub	1.37Å	1.41Å	Aromatic
C6	C5	sing	1.40Å	1.42Å	Aromatic
C14	O3	doub	1.21Å	1.25Å
C14	O4	sing	1.34Å	1.25Å
C4	O1	doub	1.22Å	1.23Å
C4	C5	sing	1.48Å	1.50Å
C7	C8	sing	1.39Å	1.40Å	Aromatic
C5	C13	doub	1.40Å	1.41Å	Aromatic
C8	N2	sing	1.39Å	1.41Å
C8	C12	doub	1.39Å	1.41Å	Aromatic
C13	C12	sing	1.38Å	1.41Å	Aromatic
N2	C9	sing	1.35Å	1.34Å
C12	C11	sing	1.51Å	1.52Å
C9	O2	doub	1.21Å	1.23Å
C9	C10	sing	1.50Å	1.53Å
C11	C10	sing	1.53Å	1.54Å
N2	H10	sing	0.97Å	1.00Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
N1	H7	sing	0.97Å	1.00Å
O4	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	112.5°	109.5°
C1	C2	C14	111.0°	109.5°
C2	C1	H2	109.5°	109.4°
C2	C1	H3	109.5°	109.5°
C2	C1	H4	109.4°	109.5°
C1	C2	H1	107.3°	109.5°
C2	C3	N1	110.1°	109.5°
C3	C2	C14	111.4°	109.4°
C2	C3	H5	109.3°	109.6°
C2	C3	H6	109.3°	109.4°
C3	C2	H1	107.2°	109.4°
C3	N1	C4	125.5°	120.0°
N1	C3	H5	109.3°	109.5°
N1	C3	H6	109.3°	109.4°
C3	N1	H7	117.3°	120.0°
C2	C14	O3	118.1°	120.0°
C2	C14	O4	117.0°	120.0°
C14	C2	H1	107.2°	109.4°
N1	C4	O1	123.5°	120.0°
N1	C4	C5	114.3°	120.0°
C4	N1	H7	117.3°	120.0°
C7	C6	C5	120.5°	119.9°
C6	C7	C8	120.2°	120.3°
C7	C6	H8	119.8°	120.0°
C6	C7	H9	119.9°	120.0°
C6	C5	C4	121.2°	120.1°
C6	C5	C13	118.9°	119.8°
C5	C6	H8	119.7°	120.1°
O3	C14	O4	124.9°	120.0°
C14	O4	H16	109.5°	117.0°
O1	C4	C5	122.2°	120.0°
C4	C5	C13	119.9°	120.1°
C7	C8	N2	119.3°	120.0°
C7	C8	C12	119.9°	120.0°
C8	C7	H9	119.9°	119.7°
C5	C13	C12	120.5°	119.9°
C5	C13	H15	119.7°	120.0°
N2	C8	C12	120.7°	120.0°
C8	N2	C9	124.2°	120.5°
C8	N2	H10	117.9°	119.7°
C8	C12	C13	119.9°	120.2°
C8	C12	C11	118.8°	119.8°
C13	C12	C11	121.2°	120.1°
C12	C13	H15	119.7°	120.1°
N2	C9	O2	122.4°	119.6°
N2	C9	C10	118.5°	120.8°
C9	N2	H10	117.9°	119.7°
C12	C11	C10	113.3°	109.5°
C12	C11	H13	108.5°	109.4°
C12	C11	H14	108.5°	109.5°
O2	C9	C10	119.1°	119.6°
C9	C10	C11	114.4°	109.9°
C9	C10	H12	108.2°	109.4°
C9	C10	H11	108.2°	109.4°
C11	C10	H12	108.2°	109.4°
C11	C10	H11	108.2°	109.3°
C10	C11	H13	108.5°	109.7°
C10	C11	H14	108.5°	109.3°
H5	C3	H6	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H2	C1	H4	109.5°	109.4°
H3	C1	H4	109.5°	109.5°
H12	C10	H11	109.4°	109.4°
H13	C11	H14	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C14	125.3°	120.0°
C1	C2	C3	H1	117.7°	120.1°
C1	C2	C3	N1	163.3°	65.0°
C1	C2	C14	H1	116.9°	120.0°
C1	C2	C14	O3	101.0°	120.0°
C1	C2	C14	O4	79.4°	60.0°
C1	C2	C3	H5	43.2°	175.0°
C1	C2	C3	H6	76.6°	55.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H4	120.0°	120.0°
C2	C1	H3	H4	120.0°	120.0°
C2	C3	N1	H5	120.1°	120.1°
C2	C3	N1	H6	120.1°	119.9°
C3	C2	C14	H1	117.0°	119.9°
C2	C3	N1	C4	110.1°	180.0°
C3	C2	C14	O3	132.9°	0.1°
C3	C2	C14	O4	46.7°	180.0°
C2	C3	H5	H6	119.7°	120.0°
C3	C2	C1	H2	180.0°	60.0°
C3	C2	C1	H3	60.0°	180.0°
C3	C2	C1	H4	60.0°	60.0°
C2	C3	N1	H7	69.9°	0.0°
N1	C3	C2	C14	38.0°	175.0°
C3	N1	C4	H7	180.0°	180.0°
C3	N1	C4	O1	0.4°	0.0°
C3	N1	C4	C5	179.0°	180.0°
N1	C3	H5	H6	119.7°	119.9°
N1	C3	C2	H1	79.0°	55.1°
C2	C14	O3	O4	179.6°	180.0°
C14	C2	C3	H5	82.1°	55.0°
C14	C2	C3	H6	158.1°	65.1°
C14	C2	C1	H2	54.5°	60.0°
C14	C2	C1	H3	174.5°	60.0°
C14	C2	C1	H4	65.5°	180.0°
C2	C14	O4	H16	179.6°	180.0°
N1	C4	C5	C6	35.1°	0.0°
N1	C4	O1	C5	178.5°	180.0°
N1	C4	C5	C13	143.9°	179.8°
C4	N1	C3	H5	10.0°	60.0°
C4	N1	C3	H6	129.8°	60.0°
C7	C6	C5	H8	180.0°	179.8°
C7	C6	C5	C4	179.4°	179.9°
C6	C7	C8	H9	180.0°	179.8°
C7	C6	C5	C13	0.4°	0.2°
C6	C7	C8	N2	179.1°	179.5°
C6	C7	C8	C12	1.0°	0.0°
C6	C5	C4	O1	146.3°	180.0°
C6	C5	C4	C13	179.0°	179.8°
C5	C6	C7	C8	0.3°	0.2°
C6	C5	C13	C12	0.5°	0.0°
C6	C5	C13	H15	179.5°	180.0°
C5	C6	C7	H9	179.7°	180.0°
O3	C14	C2	H1	15.9°	120.0°
O3	C14	O4	H16	0.0°	0.0°
O4	C14	C2	H1	163.7°	60.1°
O1	C4	C5	C13	34.7°	0.2°
O1	C4	N1	H7	179.6°	180.0°
C4	C5	C13	C12	179.5°	179.8°
C4	C5	C6	H8	0.6°	0.2°
C4	C5	C13	H15	0.5°	0.2°
C5	C4	N1	H7	1.0°	0.0°
C7	C8	N2	C12	178.1°	179.5°
C7	C8	C12	C13	0.9°	0.2°
C7	C8	N2	C9	164.6°	161.4°
C7	C8	C12	C11	179.7°	180.0°
C7	C8	N2	H10	15.5°	18.9°
C8	C7	C6	H8	179.7°	180.0°
C5	C13	C12	C8	0.2°	0.2°
C5	C13	C12	H15	180.0°	180.0°
C5	C13	C12	C11	179.5°	180.0°
C13	C5	C6	H8	179.6°	180.0°
N2	C8	C12	C13	179.0°	179.7°
C8	N2	C9	H10	180.0°	179.7°
N2	C8	C12	C11	1.7°	0.5°
C8	N2	C9	O2	178.9°	179.0°
C8	N2	C9	C10	1.3°	1.0°
N2	C8	C7	H9	1.0°	0.3°
C8	C12	C13	C11	179.3°	179.8°
C12	C8	N2	C9	13.5°	18.0°
C8	C12	C11	C10	26.0°	34.2°
C12	C8	N2	H10	166.5°	161.6°
C8	C12	C11	H13	146.5°	86.1°
C8	C12	C11	H14	94.6°	153.9°
C8	C12	C13	H15	179.8°	179.8°
C12	C8	C7	H9	179.0°	179.8°
C13	C12	C11	C10	154.7°	146.0°
C13	C12	C11	H13	34.1°	93.7°
C13	C12	C11	H14	84.7°	26.3°
N2	C9	O2	C10	179.8°	180.0°
N2	C9	C10	C11	23.9°	35.2°
N2	C9	C10	H12	144.7°	84.9°
N2	C9	C10	H11	96.8°	155.2°
C12	C11	C10	C9	36.1°	48.5°
C12	C11	C10	H13	120.6°	120.1°
C12	C11	C10	H14	120.6°	119.9°
C12	C11	C10	H12	156.9°	71.6°
C12	C11	C10	H11	84.6°	168.6°
C12	C11	H13	H14	118.2°	120.0°
C11	C12	C13	H15	0.5°	0.0°
O2	C9	C10	C11	155.9°	144.8°
O2	C9	N2	H10	1.1°	0.7°
O2	C9	C10	H12	35.1°	95.1°
O2	C9	C10	H11	83.4°	24.8°
C9	C10	C11	H12	120.7°	120.1°
C9	C10	C11	H11	120.7°	120.1°
C10	C9	N2	H10	178.7°	179.3°
C9	C10	H12	H11	117.7°	119.8°
C9	C10	C11	H13	156.7°	71.5°
C9	C10	C11	H14	84.5°	168.4°
C11	C10	H12	H11	117.8°	119.7°
C10	C11	H13	H14	118.2°	119.9°
H5	C3	C2	H1	160.9°	64.9°
H5	C3	N1	H7	170.0°	120.1°
H6	C3	C2	H1	41.1°	175.0°
H6	C3	N1	H7	50.3°	119.9°
H8	C6	C7	H9	0.3°	0.2°
H2	C1	H3	H4	120.0°	120.0°
H2	C1	C2	H1	62.3°	180.0°
H3	C1	C2	H1	57.7°	60.0°
H4	C1	C2	H1	177.6°	60.1°
H12	C10	C11	H13	82.6°	168.4°
H12	C10	C11	H14	36.3°	48.3°
H11	C10	C11	H13	36.0°	48.6°
H11	C10	C11	H14	154.8°	71.5°

Release date:	2025-06-11
Definition date:	2024-09-09
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HCJ