N70

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.50Å
C1	N1	doub	1.32Å	1.35Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
N1	C4	sing	1.33Å	1.35Å	Aromatic
C2	C3	doub	1.40Å	1.39Å	Aromatic
C4	N2	sing	1.38Å	1.37Å
C4	N	doub	1.32Å	1.34Å	Aromatic
N2	C5	sing	1.40Å	1.42Å
C3	N	sing	1.33Å	1.34Å	Aromatic
C3	N3	sing	1.39Å	1.39Å
C5	C6	doub	1.39Å	1.39Å	Aromatic
C5	C10	sing	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
N3	C11	sing	1.40Å	1.41Å
C10	C9	doub	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.39Å	1.39Å	Aromatic
C11	C16	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.39Å	1.39Å	Aromatic
C8	O	sing	1.36Å	1.36Å
C16	C15	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C15	C14	doub	1.39Å	1.39Å	Aromatic
C13	C14	sing	1.39Å	1.39Å	Aromatic
C14	O1	sing	1.36Å	1.37Å
O1	H1	sing	0.97Å	0.95Å
C13	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
N3	H6	sing	0.97Å	1.00Å
C2	H7	sing	1.08Å	1.08Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
N2	H11	sing	0.97Å	1.00Å
C10	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
O	H14	sing	0.97Å	0.95Å
C7	H15	sing	1.08Å	1.08Å
C6	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	N1	116.5°	120.4°
C	C1	C2	121.8°	120.3°
C1	C	H8	109.5°	109.5°
C1	C	H9	109.5°	109.5°
C1	C	H10	109.5°	109.4°
N1	C1	C2	121.7°	119.3°
C1	N1	C4	116.3°	121.0°
C1	C2	C3	117.4°	118.5°
C1	C2	H7	121.3°	120.8°
N1	C4	N2	116.7°	119.2°
N1	C4	N	126.2°	121.6°
C2	C3	N	121.9°	119.0°
C2	C3	N3	119.8°	120.4°
C3	C2	H7	121.3°	120.8°
N2	C4	N	117.1°	119.2°
C4	N2	C5	133.3°	120.0°
C4	N2	H11	113.4°	120.0°
C4	N	C3	116.5°	120.7°
N2	C5	C6	120.9°	120.1°
N2	C5	C10	119.5°	120.0°
C5	N2	H11	113.4°	120.0°
N	C3	N3	118.3°	120.5°
C3	N3	C11	131.8°	120.0°
C3	N3	H6	114.1°	120.1°
C6	C5	C10	119.1°	119.9°
C5	C6	C7	120.4°	120.0°
C5	C6	H16	119.8°	119.9°
C5	C10	C9	120.6°	120.0°
C5	C10	H12	119.7°	120.0°
C6	C7	C8	120.0°	120.0°
C6	C7	H15	120.0°	120.0°
C7	C6	H16	119.8°	120.0°
N3	C11	C16	120.7°	120.0°
N3	C11	C12	120.0°	120.0°
C11	N3	H6	114.1°	120.0°
C10	C9	C8	120.0°	120.1°
C9	C10	H12	119.7°	120.0°
C10	C9	H13	120.0°	120.0°
C7	C8	C9	119.9°	120.0°
C7	C8	O	121.5°	120.0°
C8	C7	H15	120.0°	120.0°
C16	C11	C12	119.3°	120.0°
C11	C16	C15	120.6°	119.9°
C11	C16	H5	119.7°	120.0°
C11	C12	C13	120.4°	120.0°
C11	C12	H3	119.8°	120.0°
C9	C8	O	118.6°	120.0°
C8	C9	H13	120.0°	120.0°
C8	O	H14	109.5°	114.0°
C16	C15	C14	120.0°	120.1°
C16	C15	H4	120.0°	120.0°
C15	C16	H5	119.7°	120.0°
C12	C13	C14	119.9°	120.0°
C12	C13	H2	120.0°	120.0°
C13	C12	H3	119.8°	120.0°
C15	C14	C13	119.9°	120.1°
C15	C14	O1	118.9°	120.0°
C14	C15	H4	120.0°	120.0°
C13	C14	O1	121.1°	120.0°
C14	C13	H2	120.1°	120.0°
C14	O1	H1	109.5°	114.0°
H8	C	H9	109.5°	109.6°
H8	C	H10	109.5°	109.4°
H9	C	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	N1	C2	178.4°	179.2°
C	C1	N1	C4	177.5°	180.0°
C	C1	C2	C3	176.9°	179.7°
C	C1	C2	H7	3.1°	0.3°
C1	C	H8	H9	120.0°	120.1°
C1	C	H8	H10	120.0°	119.9°
C1	C	H9	H10	120.0°	119.9°
N1	C1	C2	C3	1.5°	0.5°
C1	N1	C4	N2	176.2°	179.4°
C1	N1	C4	N	0.8°	0.5°
N1	C1	C2	H7	178.6°	179.5°
N1	C1	C	H8	0.0°	89.9°
N1	C1	C	H9	120.0°	149.9°
N1	C1	C	H10	120.0°	30.0°
C2	C1	N1	C4	1.0°	0.8°
C1	C2	C3	H7	180.0°	180.0°
C1	C2	C3	N	0.3°	0.0°
C1	C2	C3	N3	179.2°	179.7°
C2	C1	C	H8	178.4°	89.3°
C2	C1	C	H9	58.4°	30.9°
C2	C1	C	H10	61.6°	150.9°
N1	C4	N2	N	177.3°	179.9°
N1	C4	N2	C5	177.9°	5.1°
N1	C4	N	C3	1.8°	0.1°
N1	C4	N2	H11	2.1°	174.9°
C2	C3	N	C4	1.2°	0.3°
C2	C3	N	N3	178.9°	179.7°
C2	C3	N3	C11	177.5°	174.2°
C2	C3	N3	H6	2.5°	5.8°
C4	N2	C5	H11	180.0°	180.0°
N2	C4	N	C3	175.1°	180.0°
C4	N2	C5	C6	159.7°	146.0°
C4	N2	C5	C10	12.6°	34.3°
N	C4	N2	C5	4.8°	174.8°
C4	N	C3	N3	177.7°	180.0°
N	C4	N2	H11	175.1°	5.2°
N2	C5	C6	C10	172.4°	179.7°
N2	C5	C6	C7	171.4°	179.8°
N2	C5	C10	C9	171.6°	179.9°
N2	C5	C10	H12	8.4°	0.0°
N2	C5	C6	H16	8.6°	0.0°
N	C3	N3	C11	1.4°	6.1°
N	C3	N3	H6	178.6°	173.9°
N	C3	C2	H7	179.7°	180.0°
C3	N3	C11	H6	180.0°	180.0°
C3	N3	C11	C16	3.4°	147.5°
C3	N3	C11	C12	178.3°	32.8°
N3	C3	C2	H7	0.8°	0.3°
C5	C6	C7	H16	180.0°	179.8°
C6	C5	C10	C9	0.8°	0.2°
C5	C6	C7	C8	0.0°	0.5°
C6	C5	N2	H11	20.2°	34.0°
C6	C5	C10	H12	179.2°	179.8°
C5	C6	C7	H15	179.9°	179.8°
C10	C5	C6	C7	0.9°	0.5°
C5	C10	C9	H12	180.0°	180.0°
C5	C10	C9	C8	0.1°	0.0°
C10	C5	N2	H11	167.4°	145.8°
C5	C10	C9	H13	179.9°	180.0°
C10	C5	C6	H16	179.1°	179.7°
C6	C7	C8	H15	180.0°	179.7°
C6	C7	C8	C9	0.9°	0.3°
C6	C7	C8	O	177.7°	179.8°
N3	C11	C16	C12	178.3°	179.8°
N3	C11	C16	C15	179.3°	180.0°
N3	C11	C12	C13	178.6°	180.0°
N3	C11	C12	H3	1.4°	0.0°
N3	C11	C16	H5	0.7°	0.0°
C10	C9	C8	C7	1.0°	0.0°
C10	C9	C8	H13	180.0°	179.9°
C10	C9	C8	O	177.6°	180.0°
C7	C8	C9	O	178.6°	180.0°
C7	C8	C9	H13	179.0°	179.9°
C7	C8	O	H14	180.0°	90.1°
C8	C7	C6	H16	179.9°	179.7°
C11	C16	C15	H5	180.0°	180.0°
C16	C11	C12	C13	0.3°	0.3°
C11	C16	C15	C14	0.6°	0.1°
C16	C11	C12	H3	179.7°	179.8°
C11	C16	C15	H4	179.4°	180.0°
C16	C11	N3	H6	176.6°	32.5°
C12	C11	C16	C15	1.0°	0.2°
C11	C12	C13	H3	180.0°	179.9°
C11	C12	C13	C14	0.9°	0.0°
C11	C12	C13	H2	179.1°	180.0°
C12	C11	C16	H5	179.0°	179.8°
C12	C11	N3	H6	1.6°	147.2°
C8	C9	C10	H12	179.9°	180.0°
C9	C8	O	H14	1.4°	90.0°
C9	C8	C7	H15	179.1°	179.9°
O	C8	C9	H13	2.4°	0.0°
O	C8	C7	H15	2.3°	0.1°
C16	C15	C14	H4	180.0°	179.9°
C16	C15	C14	C13	0.6°	0.3°
C16	C15	C14	O1	176.9°	180.0°
C12	C13	C14	C15	1.3°	0.3°
C12	C13	C14	H2	180.0°	180.0°
C12	C13	C14	O1	176.2°	180.0°
C15	C14	C13	O1	177.5°	179.7°
C15	C14	O1	H1	180.0°	90.3°
C15	C14	C13	H2	178.7°	179.7°
C14	C15	C16	H5	179.4°	179.9°
C13	C14	O1	H1	2.5°	90.0°
C14	C13	C12	H3	179.1°	180.0°
C13	C14	C15	H4	179.4°	179.7°
O1	C14	C13	H2	3.9°	0.0°
O1	C14	C15	H4	3.1°	0.1°
H2	C13	C12	H3	0.9°	0.0°
H4	C15	C16	H5	0.5°	0.0°
H8	C	H9	H10	120.0°	120.0°
H12	C10	C9	H13	0.1°	0.1°
H15	C7	C6	H16	0.1°	0.0°

Release date:	2022-07-13
Definition date:	2021-07-17
Last modified:	2022-07-08
Release status:	REL
Processing site:	PDBJ
Derived from:	7FBQ