SDW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	doub	1.36Å	1.36Å	Aromatic
C13	C14	sing	1.39Å	1.39Å	Aromatic
C12	C11	sing	1.40Å	1.41Å	Aromatic
C14	C15	doub	1.36Å	1.36Å	Aromatic
C11	N2	doub	1.34Å	1.37Å	Aromatic
C11	C16	sing	1.42Å	1.42Å	Aromatic
C15	C16	sing	1.40Å	1.42Å	Aromatic
N2	C7	sing	1.31Å	1.34Å	Aromatic
C16	C6	doub	1.42Å	1.44Å	Aromatic
C7	C8	sing	1.51Å	1.50Å
C7	N1	doub	1.32Å	1.34Å	Aromatic
C6	N1	sing	1.33Å	1.33Å	Aromatic
C6	N	sing	1.38Å	1.36Å
C8	C10	sing	1.53Å	1.51Å
C8	C9	sing	1.53Å	1.51Å
N	C5	sing	1.40Å	1.41Å
C10	C9	sing	1.53Å	1.48Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C5	C2	sing	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C3	C	doub	1.38Å	1.38Å	Aromatic
C1	C	sing	1.38Å	1.38Å	Aromatic
C	I	sing	2.09Å	2.09Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C4	H11	sing	1.08Å	1.08Å
N	H12	sing	0.97Å	1.00Å
C14	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C14	120.8°	121.0°
C13	C12	C11	120.4°	119.6°
C13	C12	H9	119.8°	120.2°
C12	C13	H14	119.6°	119.5°
C13	C14	C15	120.7°	120.9°
C13	C14	H13	119.7°	119.5°
C14	C13	H14	119.6°	119.5°
C12	C11	N2	118.3°	122.0°
C12	C11	C16	119.0°	119.3°
C11	C12	H9	119.8°	120.2°
C14	C15	C16	120.8°	119.5°
C14	C15	H10	119.6°	120.2°
C15	C14	H13	119.7°	119.5°
N2	C11	C16	122.7°	118.7°
C11	N2	C7	115.6°	120.5°
C11	C16	C15	118.4°	119.7°
C11	C16	C6	115.7°	118.2°
C15	C16	C6	125.9°	122.1°
C16	C15	H10	119.6°	120.2°
N2	C7	C8	117.8°	118.5°
N2	C7	N1	126.3°	123.0°
C16	C6	N1	120.3°	118.2°
C16	C6	N	120.4°	120.9°
C8	C7	N1	115.8°	118.5°
C7	C8	C10	118.7°	117.5°
C7	C8	C9	119.3°	117.5°
C7	C8	H4	116.0°	115.6°
C7	N1	C6	119.5°	121.5°
N1	C6	N	118.9°	120.9°
C6	N	C5	127.5°	120.0°
C6	N	H12	116.3°	120.0°
C10	C8	C9	58.8°	60.0°
C8	C10	C9	60.6°	60.0°
C10	C8	H4	115.9°	117.5°
C8	C10	H5	119.9°	117.5°
C8	C10	H6	119.9°	117.4°
C8	C9	C10	60.6°	60.0°
C9	C8	H4	116.0°	117.5°
C8	C9	H7	119.9°	117.5°
C8	C9	H8	119.9°	117.5°
N	C5	C4	118.6°	120.0°
N	C5	C2	120.9°	120.1°
C5	N	H12	116.2°	120.0°
C9	C10	H5	119.9°	117.5°
C9	C10	H6	119.9°	117.5°
C10	C9	H7	119.9°	117.5°
C10	C9	H8	119.9°	117.5°
C4	C5	C2	119.3°	119.9°
C5	C4	C3	120.5°	119.9°
C5	C4	H11	119.8°	120.1°
C5	C2	C1	120.3°	119.9°
C5	C2	H2	119.9°	120.1°
C4	C3	C	119.6°	120.1°
C4	C3	H3	120.2°	120.0°
C3	C4	H11	119.7°	120.0°
C2	C1	C	119.4°	120.1°
C2	C1	H1	120.3°	120.0°
C1	C2	H2	119.8°	120.0°
C3	C	C1	120.9°	120.1°
C3	C	I	118.9°	120.0°
C	C3	H3	120.2°	119.9°
C1	C	I	120.2°	119.9°
C	C1	H1	120.3°	120.0°
H5	C10	H6	109.5°	115.6°
H7	C9	H8	109.5°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C14	H14	180.0°	179.0°
C13	C12	C11	H9	180.0°	180.0°
C12	C13	C14	C15	1.4°	0.8°
C13	C12	C11	N2	176.1°	180.0°
C13	C12	C11	C16	0.5°	0.8°
C12	C13	C14	H13	178.7°	179.5°
C14	C13	C12	C11	2.0°	1.0°
C13	C14	C15	H13	180.0°	179.8°
C13	C14	C15	C16	0.9°	0.3°
C14	C13	C12	H9	178.0°	179.0°
C13	C14	C15	H10	179.2°	179.7°
C12	C11	N2	C16	176.5°	179.3°
C12	C11	C16	C15	1.6°	0.3°
C12	C11	N2	C7	175.2°	180.0°
C12	C11	C16	C6	174.8°	179.8°
C11	C12	C13	H14	178.0°	179.9°
C14	C15	C16	C11	2.3°	0.0°
C14	C15	C16	H10	180.0°	180.0°
C14	C15	C16	C6	173.7°	180.0°
C15	C14	C13	H14	178.6°	179.8°
N2	C11	C16	C15	178.1°	179.5°
N2	C11	C16	C6	1.7°	0.5°
C11	N2	C7	C8	176.3°	179.4°
C11	N2	C7	N1	0.8°	0.5°
N2	C11	C12	H9	3.9°	0.0°
C11	C16	C15	C6	176.0°	180.0°
C16	C11	N2	C7	1.3°	0.7°
C11	C16	C6	N1	1.6°	0.0°
C11	C16	C6	N	170.2°	179.7°
C16	C11	C12	H9	179.5°	179.3°
C11	C16	C15	H10	177.7°	180.0°
C15	C16	C6	N1	177.7°	179.9°
C15	C16	C6	N	5.9°	0.3°
C16	C15	C14	H13	179.1°	180.0°
N2	C7	C8	N1	177.4°	179.9°
N2	C7	N1	C6	0.7°	0.1°
N2	C7	C8	C10	140.1°	59.9°
N2	C7	C8	C9	151.6°	8.7°
N2	C7	C8	H4	5.2°	154.3°
C16	C6	N1	C7	1.1°	0.3°
C16	C6	N1	N	171.9°	179.6°
C16	C6	N	C5	165.5°	174.2°
C6	C16	C15	H10	6.3°	0.0°
C16	C6	N	H12	14.6°	5.8°
C8	C7	N1	C6	176.4°	180.0°
C7	C8	C10	C9	108.7°	107.4°
C7	C8	C10	H4	145.3°	145.1°
C7	C8	C9	H4	146.4°	145.0°
C7	C8	C10	H5	141.6°	145.1°
C7	C8	C10	H6	0.9°	0.1°
C7	C8	C9	H7	1.9°	0.0°
C7	C8	C9	H8	142.7°	145.0°
C7	N1	C6	N	170.8°	180.0°
N1	C7	C8	C10	37.3°	120.0°
N1	C7	C8	C9	31.0°	171.4°
N1	C7	C8	H4	177.4°	25.8°
N1	C6	N	C5	22.6°	5.4°
N1	C6	N	H12	157.3°	174.5°
C6	N	C5	H12	180.0°	179.9°
C6	N	C5	C4	9.0°	35.3°
C6	N	C5	C2	158.1°	144.7°
C10	C8	C9	H4	105.9°	107.5°
C8	C10	C9	H5	109.6°	107.5°
C8	C10	C9	H6	109.6°	107.4°
C8	C10	H5	H6	144.4°	145.6°
C10	C8	C9	H7	109.6°	107.5°
C10	C8	C9	H8	109.6°	107.5°
C8	C9	H7	H8	144.4°	145.7°
N	C5	C4	C2	167.3°	180.0°
N	C5	C4	C3	163.5°	179.7°
N	C5	C2	C1	163.6°	180.0°
N	C5	C2	H2	16.4°	0.0°
N	C5	C4	H11	16.5°	0.0°
C9	C10	H5	H6	144.4°	145.8°
C10	C9	H7	H8	144.4°	145.6°
C5	C4	C3	H11	180.0°	179.7°
C4	C5	C2	C1	3.4°	0.0°
C5	C4	C3	C	1.3°	0.5°
C4	C5	C2	H2	176.6°	180.0°
C5	C4	C3	H3	178.6°	180.0°
C4	C5	N	H12	171.0°	144.8°
C2	C5	C4	C3	3.9°	0.3°
C5	C2	C1	H2	180.0°	180.0°
C5	C2	C1	C	0.5°	0.0°
C5	C2	C1	H1	179.5°	179.7°
C2	C5	C4	H11	176.1°	180.0°
C2	C5	N	H12	21.9°	35.2°
C4	C3	C	H3	180.0°	179.5°
C4	C3	C	C1	1.7°	0.5°
C4	C3	C	I	176.4°	179.5°
C2	C1	C	C3	2.1°	0.2°
C2	C1	C	H1	180.0°	179.8°
C2	C1	C	I	175.9°	179.7°
C3	C	C1	I	178.0°	179.9°
C3	C	C1	H1	177.9°	180.0°
C	C3	C4	H11	178.6°	179.8°
C	C1	C2	H2	179.5°	180.0°
C1	C	C3	H3	178.3°	180.0°
I	C	C1	H1	4.1°	0.0°
I	C	C3	H3	3.6°	0.0°
H1	C1	C2	H2	0.5°	0.3°
H3	C3	C4	H11	1.4°	0.3°
H4	C8	C10	H5	3.7°	0.0°
H4	C8	C10	H6	144.4°	145.0°
H4	C8	C9	H7	144.4°	145.0°
H4	C8	C9	H8	3.7°	0.0°
H5	C10	C9	H7	140.8°	145.0°
H5	C10	C9	H8	0.0°	0.0°
H6	C10	C9	H7	0.0°	0.1°
H6	C10	C9	H8	140.7°	145.1°
H9	C12	C13	H14	2.0°	0.0°
H10	C15	C14	H13	0.9°	0.0°
H13	C14	C13	H14	1.3°	0.4°

Release date:	2022-06-01
Definition date:	2020-11-13
Last modified:	2022-05-27
Release status:	REL
Processing site:	PDBE
Derived from:	7AZ0