NO0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C12	doub	1.31Å	1.32Å	Aromatic
N1	C11	sing	1.33Å	1.34Å	Aromatic
C12	C13	sing	1.40Å	1.41Å	Aromatic
C11	C10	doub	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.40Å	1.42Å	Aromatic
C13	C18	sing	1.42Å	1.42Å	Aromatic
C14	C15	sing	1.36Å	1.36Å	Aromatic
C10	C18	sing	1.41Å	1.43Å	Aromatic
C10	N	sing	1.40Å	1.41Å
C18	C17	doub	1.40Å	1.42Å	Aromatic
C8	C7	trip	1.17Å	1.19Å
N	C	sing	1.35Å	1.35Å
C15	C16	doub	1.39Å	1.39Å	Aromatic
C7	C6	sing	1.43Å	1.36Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.51Å
C17	C16	sing	1.36Å	1.37Å	Aromatic
C9	C6	doub	1.39Å	1.42Å	Aromatic
C9	C2	sing	1.38Å	1.36Å	Aromatic
C6	C5	sing	1.40Å	1.44Å	Aromatic
C1	C2	sing	1.51Å	1.51Å
C2	C3	doub	1.38Å	1.40Å	Aromatic
C5	C4	doub	1.38Å	1.37Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.05Å	1.06Å
C15	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
N	H6	sing	0.97Å	1.00Å
C16	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.08Å	1.08Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	N1	C11	117.5°	122.8°
N1	C12	C13	124.2°	120.2°
N1	C12	H9	117.9°	119.9°
N1	C11	C10	125.1°	121.6°
N1	C11	H10	117.4°	119.2°
C12	C13	C14	123.2°	122.0°
C12	C13	C18	117.7°	118.7°
C13	C12	H9	117.9°	119.9°
C11	C10	C18	117.4°	118.4°
C11	C10	N	124.1°	120.8°
C10	C11	H10	117.5°	119.2°
C14	C13	C18	119.1°	119.3°
C13	C14	C15	120.5°	119.5°
C13	C14	H8	119.7°	120.2°
C13	C18	C10	118.1°	118.2°
C13	C18	C17	118.1°	119.6°
C14	C15	C16	120.7°	121.1°
C14	C15	H4	119.7°	119.5°
C15	C14	H8	119.7°	120.3°
C18	C10	N	118.5°	120.8°
C10	C18	C17	123.8°	122.1°
C10	N	C	128.1°	120.0°
C10	N	H6	115.9°	119.9°
C18	C17	C16	120.9°	119.4°
C18	C17	H5	119.6°	120.3°
C8	C7	C6	179.1°	179.9°
C7	C8	H3	180.0°	179.9°
N	C	O	123.8°	120.0°
N	C	C1	115.1°	120.0°
C	N	H6	116.0°	120.1°
C15	C16	C17	120.7°	121.0°
C16	C15	H4	119.7°	119.4°
C15	C16	H7	119.7°	119.5°
C7	C6	C9	119.9°	120.2°
C7	C6	C5	122.9°	120.1°
O	C	C1	121.1°	120.0°
C	C1	C2	109.7°	109.5°
C	C1	H11	109.4°	109.5°
C	C1	H12	109.4°	109.5°
C16	C17	H5	119.6°	120.3°
C17	C16	H7	119.7°	119.5°
C6	C9	C2	121.5°	119.8°
C9	C6	C5	117.2°	119.8°
C6	C9	H13	119.3°	120.1°
C9	C2	C1	121.8°	119.9°
C9	C2	C3	120.1°	120.1°
C2	C9	H13	119.2°	120.1°
C6	C5	C4	120.5°	119.8°
C6	C5	H2	119.7°	120.1°
C1	C2	C3	117.4°	120.0°
C2	C1	H11	109.4°	109.4°
C2	C1	H12	109.4°	109.5°
C2	C3	C4	120.3°	120.3°
C2	C3	H14	119.9°	119.8°
C5	C4	C3	120.3°	120.2°
C5	C4	H1	119.9°	119.9°
C4	C5	H2	119.7°	120.1°
C3	C4	H1	119.9°	119.9°
C4	C3	H14	119.8°	119.9°
H11	C1	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C12	C13	H9	180.0°	179.9°
C12	N1	C11	C10	0.3°	0.0°
N1	C12	C13	C14	177.9°	180.0°
N1	C12	C13	C18	0.6°	0.1°
C12	N1	C11	H10	179.7°	179.9°
C11	N1	C12	C13	0.3°	0.0°
N1	C11	C10	H10	180.0°	179.9°
N1	C11	C10	C18	0.6°	0.0°
N1	C11	C10	N	179.7°	179.9°
C11	N1	C12	H9	179.7°	180.0°
C12	C13	C14	C18	178.5°	179.9°
C12	C13	C14	C15	178.5°	179.9°
C12	C13	C18	C10	0.2°	0.1°
C12	C13	C18	C17	178.9°	179.9°
C12	C13	C14	H8	1.5°	0.2°
C11	C10	C18	C13	0.3°	0.0°
C11	C10	C18	N	179.2°	180.0°
C11	C10	C18	C17	178.3°	180.0°
C11	C10	N	C	91.5°	24.8°
C11	C10	N	H6	88.5°	155.2°
C13	C14	C15	H8	180.0°	179.9°
C14	C13	C18	C10	178.3°	180.0°
C14	C13	C18	C17	0.4°	0.0°
C13	C14	C15	C16	0.2°	0.0°
C13	C14	C15	H4	179.8°	180.0°
C14	C13	C12	H9	2.1°	0.1°
C18	C13	C14	C15	0.0°	0.0°
C13	C18	C10	C17	178.6°	180.0°
C13	C18	C10	N	179.5°	180.0°
C13	C18	C17	C16	0.5°	0.0°
C13	C18	C17	H5	179.5°	180.0°
C18	C13	C14	H8	179.9°	179.9°
C18	C13	C12	H9	179.4°	180.0°
C14	C15	C16	H4	180.0°	179.9°
C14	C15	C16	C17	0.1°	0.0°
C14	C15	C16	H7	179.9°	180.0°
C18	C10	N	C	87.6°	155.2°
C10	C18	C17	C16	178.1°	180.0°
C10	C18	C17	H5	1.9°	0.1°
C18	C10	N	H6	92.4°	24.7°
C18	C10	C11	H10	179.4°	179.9°
N	C10	C18	C17	0.8°	0.0°
C10	N	C	H6	180.0°	179.9°
C10	N	C	O	7.4°	5.4°
C10	N	C	C1	170.7°	174.5°
N	C10	C11	H10	0.3°	0.0°
C18	C17	C16	C15	0.3°	0.0°
C18	C17	C16	H5	180.0°	179.9°
C18	C17	C16	H7	179.7°	180.0°
C8	C7	C6	C9	13.8°	29.0°
C8	C7	C6	C5	165.4°	151.0°
N	C	O	C1	178.0°	179.9°
N	C	C1	C2	155.9°	180.0°
N	C	C1	H11	84.0°	60.1°
N	C	C1	H12	35.9°	59.9°
C15	C16	C17	H7	180.0°	180.0°
C15	C16	C17	H5	179.7°	179.9°
C16	C15	C14	H8	179.8°	179.9°
C7	C6	C9	C5	179.2°	179.9°
C7	C6	C9	C2	177.9°	180.0°
C7	C6	C5	C4	178.9°	180.0°
C7	C6	C5	H2	1.1°	0.0°
C6	C7	C8	H3	140.9°	130.7°
C7	C6	C9	H13	2.2°	0.0°
O	C	C1	C2	25.9°	0.1°
O	C	N	H6	172.6°	174.5°
O	C	C1	H11	94.2°	120.0°
O	C	C1	H12	145.9°	119.9°
C	C1	C2	C9	65.4°	90.6°
C	C1	C2	H11	120.0°	120.0°
C	C1	C2	H12	120.0°	120.0°
C	C1	C2	C3	104.7°	89.9°
C1	C	N	H6	9.3°	5.6°
C	C1	H11	H12	119.9°	120.0°
C17	C16	C15	H4	179.9°	180.0°
C6	C9	C2	H13	180.0°	180.0°
C6	C9	C2	C1	165.7°	179.7°
C6	C9	C2	C3	4.2°	0.2°
C9	C6	C5	C4	1.9°	0.1°
C9	C6	C5	H2	178.1°	180.0°
C2	C9	C6	C5	1.4°	0.1°
C9	C2	C1	C3	170.2°	179.5°
C9	C2	C3	C4	4.0°	0.5°
C9	C2	C1	H11	174.5°	149.4°
C9	C2	C1	H12	54.6°	29.5°
C9	C2	C3	H14	176.0°	180.0°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	C3	2.1°	0.2°
C6	C5	C4	H1	177.9°	180.0°
C5	C6	C9	H13	178.6°	180.0°
C1	C2	C3	C4	166.4°	180.0°
C2	C1	H11	H12	119.9°	120.0°
C1	C2	C9	H13	14.3°	0.3°
C1	C2	C3	H14	13.6°	0.5°
C2	C3	C4	C5	0.8°	0.5°
C2	C3	C4	H14	180.0°	179.5°
C2	C3	C4	H1	179.2°	179.7°
C3	C2	C1	H11	15.3°	30.0°
C3	C2	C1	H12	135.2°	150.0°
C3	C2	C9	H13	175.7°	179.7°
C5	C4	C3	H1	180.0°	179.8°
C5	C4	C3	H14	179.2°	180.0°
C3	C4	C5	H2	177.9°	179.7°
H1	C4	C5	H2	2.1°	0.1°
H1	C4	C3	H14	0.7°	0.2°
H4	C15	C16	H7	0.1°	0.0°
H4	C15	C14	H8	0.2°	0.0°
H5	C17	C16	H7	0.3°	0.1°

Release date:	2023-11-08
Definition date:	2023-08-16
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GEJ