A7X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C14	doub	1.21Å	1.31Å
C12	C11	doub	1.37Å	1.38Å	Aromatic
C12	C13	sing	1.40Å	1.39Å	Aromatic
C14	O2	sing	1.35Å	1.23Å
C14	C13	sing	1.48Å	1.49Å
C11	C10	sing	1.40Å	1.39Å	Aromatic
C13	C15	doub	1.40Å	1.39Å	Aromatic
C10	C9	sing	1.47Å	1.47Å
C10	C16	doub	1.40Å	1.39Å	Aromatic
C15	C16	sing	1.37Å	1.38Å	Aromatic
C9	C2	doub	1.36Å	1.35Å
O	C	doub	1.22Å	1.22Å
C2	C	sing	1.48Å	1.50Å
C2	C3	sing	1.48Å	1.45Å
C	N	sing	1.34Å	1.37Å
C3	C8	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.40Å	1.41Å	Aromatic
C8	C7	sing	1.38Å	1.39Å	Aromatic
N	C4	sing	1.39Å	1.40Å
N	C1	sing	1.46Å	1.46Å
C4	C5	doub	1.39Å	1.39Å	Aromatic
C7	C6	doub	1.39Å	1.40Å	Aromatic
C5	C6	sing	1.39Å	1.40Å	Aromatic
C6	N1	sing	1.40Å	1.40Å
C12	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.08Å	1.08Å
C5	H8	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
N1	H12	sing	0.97Å	1.00Å
N1	H13	sing	0.97Å	1.00Å
O2	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C14	O2	123.5°	120.0°
O1	C14	C13	114.9°	120.0°
C11	C12	C13	120.7°	120.0°
C12	C11	C10	121.2°	120.0°
C11	C12	H1	119.6°	119.9°
C12	C11	H7	119.4°	120.1°
C12	C13	C14	120.7°	120.0°
C12	C13	C15	118.5°	120.1°
C13	C12	H1	119.6°	120.0°
O2	C14	C13	121.6°	120.0°
C14	O2	H14	109.5°	117.0°
C14	C13	C15	120.7°	120.0°
C11	C10	C9	120.6°	120.0°
C11	C10	C16	117.7°	119.9°
C10	C11	H7	119.4°	120.0°
C13	C15	C16	120.6°	120.0°
C13	C15	H2	119.7°	120.0°
C9	C10	C16	121.7°	120.0°
C10	C9	C2	130.1°	120.0°
C10	C9	H11	114.9°	120.0°
C10	C16	C15	121.3°	119.9°
C10	C16	H3	119.4°	120.1°
C16	C15	H2	119.7°	120.0°
C15	C16	H3	119.4°	120.0°
C9	C2	C	117.7°	127.5°
C9	C2	C3	136.4°	127.5°
C2	C9	H11	115.0°	120.0°
O	C	C2	127.9°	126.1°
O	C	N	125.4°	126.0°
C	C2	C3	105.8°	105.0°
C2	C	N	106.7°	107.9°
C2	C3	C8	134.7°	133.1°
C2	C3	C4	107.1°	106.4°
C	N	C4	111.0°	111.4°
C	N	C1	124.0°	124.3°
C8	C3	C4	118.3°	120.5°
C3	C8	C7	120.6°	119.8°
C3	C8	H10	119.7°	120.1°
C3	C4	N	109.5°	109.3°
C3	C4	C5	121.4°	119.1°
C8	C7	C6	121.0°	120.0°
C8	C7	H9	119.5°	120.0°
C7	C8	H10	119.7°	120.1°
C4	N	C1	125.0°	124.3°
N	C4	C5	129.1°	131.6°
N	C1	H4	109.5°	109.5°
N	C1	H5	109.5°	109.5°
N	C1	H6	109.5°	109.5°
C4	C5	C6	120.1°	120.1°
C4	C5	H8	120.0°	120.0°
C7	C6	C5	118.6°	120.4°
C7	C6	N1	120.7°	119.8°
C6	C7	H9	119.5°	120.0°
C5	C6	N1	120.6°	119.8°
C6	C5	H8	120.0°	119.9°
C6	N1	H12	109.5°	120.0°
C6	N1	H13	109.4°	120.0°
H4	C1	H5	109.4°	109.4°
H4	C1	H6	109.4°	109.5°
H5	C1	H6	109.5°	109.5°
H12	N1	H13	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C14	C13	C12	1.6°	0.0°
O1	C14	O2	C13	180.0°	180.0°
O1	C14	C13	C15	175.0°	179.7°
O1	C14	O2	H14	0.0°	0.0°
C11	C12	C13	H1	180.0°	180.0°
C11	C12	C13	C14	175.8°	180.0°
C12	C11	C10	H7	180.0°	179.9°
C11	C12	C13	C15	0.7°	0.2°
C12	C11	C10	C9	178.9°	180.0°
C12	C11	C10	C16	0.4°	0.2°
C12	C13	C14	O2	178.4°	180.0°
C12	C13	C14	C15	176.5°	179.7°
C13	C12	C11	C10	0.1°	0.0°
C12	C13	C15	C16	0.8°	0.2°
C12	C13	C15	H2	179.1°	179.8°
C13	C12	C11	H7	179.9°	179.9°
O2	C14	C13	C15	5.1°	0.3°
C14	C13	C15	C16	175.7°	180.0°
C14	C13	C12	H1	4.2°	0.0°
C14	C13	C15	H2	4.3°	0.0°
C13	C14	O2	H14	180.0°	180.0°
C11	C10	C9	C16	179.3°	179.8°
C11	C10	C16	C15	0.3°	0.2°
C11	C10	C9	C2	137.9°	44.2°
C10	C11	C12	H1	179.9°	180.0°
C11	C10	C16	H3	179.7°	179.8°
C11	C10	C9	H11	42.1°	135.8°
C13	C15	C16	C10	0.3°	0.0°
C13	C15	C16	H2	180.0°	180.0°
C15	C13	C12	H1	179.3°	179.8°
C13	C15	C16	H3	179.7°	180.0°
C9	C10	C16	C15	179.0°	180.0°
C10	C9	C2	H11	180.0°	180.0°
C10	C9	C2	C	176.5°	169.5°
C10	C9	C2	C3	1.0°	10.5°
C9	C10	C16	H3	1.0°	0.0°
C9	C10	C11	H7	1.1°	0.1°
C10	C16	C15	H3	180.0°	179.9°
C16	C10	C9	C2	41.4°	136.0°
C10	C16	C15	H2	179.7°	180.0°
C16	C10	C11	H7	179.6°	179.7°
C16	C10	C9	H11	138.6°	44.0°
C9	C2	C	O	4.2°	0.0°
C9	C2	C	C3	178.2°	180.0°
C9	C2	C	N	177.4°	180.0°
C9	C2	C3	C8	3.9°	0.0°
C9	C2	C3	C4	177.4°	180.0°
O	C	C2	N	178.3°	179.9°
O	C	C2	C3	177.6°	180.0°
O	C	N	C4	177.4°	180.0°
O	C	N	C1	3.3°	0.4°
C	C2	C3	C8	178.4°	180.0°
C	C2	C3	C4	0.3°	0.0°
C2	C	N	C4	1.0°	0.0°
C2	C	N	C1	178.3°	179.7°
C	C2	C9	H11	3.5°	10.6°
C3	C2	C	N	0.8°	0.0°
C2	C3	C8	C4	178.5°	180.0°
C2	C3	C8	C7	177.9°	179.9°
C2	C3	C4	N	0.3°	0.0°
C2	C3	C4	C5	177.9°	179.8°
C2	C3	C8	H10	2.1°	0.0°
C3	C2	C9	H11	179.0°	169.5°
C	N	C4	C3	0.9°	0.1°
C	N	C4	C1	179.3°	179.7°
C	N	C4	C5	177.2°	179.7°
C	N	C1	H4	180.0°	90.3°
C	N	C1	H5	60.0°	29.6°
C	N	C1	H6	60.0°	149.7°
C3	C8	C7	H10	180.0°	179.8°
C8	C3	C4	N	179.2°	180.0°
C8	C3	C4	C5	1.0°	0.2°
C3	C8	C7	C6	0.5°	0.5°
C3	C8	C7	H9	179.5°	179.9°
C4	C3	C8	C7	0.7°	0.2°
C3	C4	N	C5	178.1°	179.8°
C3	C4	N	C1	178.4°	179.7°
C3	C4	C5	C6	0.2°	0.3°
C3	C4	C5	H8	179.8°	179.8°
C4	C3	C8	H10	179.4°	180.0°
C8	C7	C6	H9	180.0°	179.6°
C8	C7	C6	C5	1.3°	0.4°
C8	C7	C6	N1	177.2°	179.6°
N	C4	C5	C6	178.0°	180.0°
C4	N	C1	H4	0.8°	90.0°
C4	N	C1	H5	119.2°	150.0°
C4	N	C1	H6	120.8°	29.9°
N	C4	C5	H8	2.0°	0.0°
C1	N	C4	C5	3.5°	0.1°
N	C1	H4	H5	120.0°	120.0°
N	C1	H4	H6	120.0°	120.0°
N	C1	H5	H6	120.0°	120.0°
C4	C5	C6	C7	1.0°	0.0°
C4	C5	C6	H8	180.0°	180.0°
C4	C5	C6	N1	177.6°	180.0°
C7	C6	C5	N1	178.5°	180.0°
C7	C6	C5	H8	179.0°	179.9°
C6	C7	C8	H10	179.5°	179.7°
C7	C6	N1	H12	180.0°	180.0°
C7	C6	N1	H13	60.0°	0.1°
C5	C6	C7	H9	178.6°	179.9°
C5	C6	N1	H12	1.5°	0.0°
C5	C6	N1	H13	118.5°	180.0°
N1	C6	C5	H8	2.4°	0.0°
N1	C6	C7	H9	2.8°	0.0°
C6	N1	H12	H13	120.0°	180.0°
H1	C12	C11	H7	0.1°	0.1°
H2	C15	C16	H3	0.3°	0.0°
H4	C1	H5	H6	119.9°	120.0°
H9	C7	C8	H10	0.5°	0.0°

Release date:	2022-11-30
Definition date:	2021-11-25
Last modified:	2022-11-25
Release status:	REL
Processing site:	PDBE
Derived from:	7QB2