N00

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.21Å	1.21Å
C5	C4	sing	1.51Å	1.51Å
C2	C1	sing	1.51Å	1.52Å
C2	O	sing	1.34Å	1.31Å
C4	C6	doub	1.39Å	1.40Å	Aromatic
C4	C3	sing	1.38Å	1.41Å	Aromatic
C1	C3	sing	1.51Å	1.53Å
C1	C	sing	1.53Å	1.52Å
N	C6	sing	1.38Å	1.38Å	Aromatic
N	C11	sing	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.40Å	1.41Å	Aromatic
C3	C9	doub	1.39Å	1.40Å	Aromatic
C12	C11	doub	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.40Å	1.41Å	Aromatic
C7	C10	sing	1.47Å	1.45Å	Aromatic
C7	C8	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C13	C14	doub	1.39Å	1.38Å	Aromatic
C10	C15	doub	1.39Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C14	CL	sing	1.74Å	1.74Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
N	H8	sing	0.97Å	1.00Å
C9	H9	sing	1.08Å	1.08Å
C1	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
O	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	C1	121.9°	120.0°
O1	C2	O	123.7°	120.0°
C5	C4	C6	119.8°	119.9°
C5	C4	C3	122.6°	119.9°
C4	C5	H1	109.5°	109.5°
C4	C5	H2	109.4°	109.4°
C4	C5	H3	109.5°	109.5°
C1	C2	O	114.4°	120.0°
C2	C1	C3	112.7°	109.5°
C2	C1	C	110.1°	109.5°
C2	C1	H10	107.2°	109.5°
C2	O	H14	109.5°	117.0°
C6	C4	C3	117.6°	120.1°
C4	C6	N	127.9°	132.4°
C4	C6	C7	122.6°	119.2°
C4	C3	C1	120.7°	119.8°
C4	C3	C9	119.5°	120.5°
C3	C1	C	112.1°	109.5°
C1	C3	C9	119.8°	119.7°
C3	C1	H10	107.2°	109.4°
C	C1	H10	107.2°	109.5°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.5°	109.5°
C6	N	C11	108.8°	110.3°
N	C6	C7	109.3°	108.4°
C6	N	H8	125.6°	124.8°
N	C11	C12	129.2°	132.3°
N	C11	C10	109.1°	108.4°
C11	N	H8	125.6°	124.9°
C6	C7	C10	106.3°	106.5°
C6	C7	C8	118.7°	120.1°
C3	C9	C8	122.3°	120.2°
C3	C9	H9	118.9°	119.9°
C11	C12	C13	118.9°	120.1°
C12	C11	C10	121.6°	119.3°
C11	C12	H7	120.6°	120.0°
C12	C13	C14	119.7°	120.6°
C12	C13	H5	120.1°	119.7°
C13	C12	H7	120.6°	120.0°
C11	C10	C7	106.4°	106.5°
C11	C10	C15	118.8°	120.1°
C10	C7	C8	134.9°	133.4°
C7	C10	C15	134.8°	133.4°
C7	C8	C9	119.1°	119.8°
C7	C8	H4	120.5°	120.1°
C9	C8	H4	120.4°	120.1°
C8	C9	H9	118.9°	119.9°
C13	C14	C15	122.3°	120.3°
C13	C14	CL	118.8°	119.9°
C14	C13	H5	120.2°	119.7°
C10	C15	C14	118.7°	119.7°
C10	C15	H6	120.6°	120.1°
C15	C14	CL	118.9°	119.9°
C14	C15	H6	120.6°	120.2°
H1	C5	H2	109.4°	109.5°
H1	C5	H3	109.5°	109.5°
H2	C5	H3	109.5°	109.4°
H11	C	H12	109.5°	109.5°
H11	C	H13	109.5°	109.5°
H12	C	H13	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C1	O	179.3°	180.0°
O1	C2	C1	C3	128.3°	0.0°
O1	C2	C1	C	105.7°	120.0°
O1	C2	C1	H10	10.6°	120.0°
O1	C2	O	H14	0.0°	0.0°
C5	C4	C6	C3	178.9°	179.8°
C5	C4	C3	C1	6.1°	0.3°
C5	C4	C6	N	6.4°	0.3°
C5	C4	C6	C7	178.4°	179.7°
C5	C4	C3	C9	175.8°	179.7°
C4	C5	H1	H2	120.0°	120.0°
C4	C5	H1	H3	120.0°	120.0°
C4	C5	H2	H3	120.0°	120.0°
C2	C1	C3	C4	67.5°	114.2°
C2	C1	C3	C	124.9°	120.0°
C2	C1	C3	H10	117.7°	120.0°
C2	C1	C	H10	116.3°	120.0°
C2	C1	C3	C9	110.6°	65.8°
C2	C1	C	H11	180.0°	60.0°
C2	C1	C	H12	60.0°	180.0°
C2	C1	C	H13	60.0°	60.0°
C1	C2	O	H14	179.3°	180.0°
O	C2	C1	C3	52.4°	180.0°
O	C2	C1	C	73.6°	60.0°
O	C2	C1	H10	170.1°	60.1°
C6	C4	C3	C1	175.1°	180.0°
C4	C6	N	C7	175.8°	180.0°
C4	C6	N	C11	175.3°	180.0°
C6	C4	C3	C9	3.0°	0.0°
C4	C6	C7	C10	175.2°	180.0°
C4	C6	C7	C8	2.4°	0.0°
C6	C4	C5	H1	89.5°	95.7°
C6	C4	C5	H2	150.6°	144.2°
C6	C4	C5	H3	30.6°	24.3°
C4	C6	N	H8	4.7°	0.0°
C4	C3	C1	C9	178.1°	180.0°
C4	C3	C1	C	167.6°	125.8°
C3	C4	C6	N	174.8°	180.0°
C3	C4	C6	C7	0.5°	0.0°
C4	C3	C9	C8	2.7°	0.0°
C3	C4	C5	H1	89.3°	84.5°
C3	C4	C5	H2	30.6°	35.5°
C3	C4	C5	H3	150.6°	155.5°
C4	C3	C9	H9	177.3°	180.0°
C4	C3	C1	H10	50.2°	5.8°
C3	C1	C	H10	117.4°	120.0°
C1	C3	C9	C8	175.4°	180.0°
C1	C3	C9	H9	4.6°	0.0°
C3	C1	C	H11	53.7°	180.0°
C3	C1	C	H12	66.3°	60.0°
C3	C1	C	H13	173.7°	60.0°
C	C1	C3	C9	14.3°	54.2°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
C6	N	C11	H8	180.0°	180.0°
C6	N	C11	C12	178.0°	180.0°
C6	N	C11	C10	0.1°	0.0°
N	C6	C7	C10	0.9°	0.0°
N	C6	C7	C8	178.4°	180.0°
C11	N	C6	C7	0.5°	0.0°
N	C11	C12	C10	177.6°	179.9°
N	C11	C12	C13	176.8°	180.0°
N	C11	C10	C7	0.7°	0.0°
N	C11	C10	C15	177.2°	180.0°
N	C11	C12	H7	3.2°	0.0°
C6	C7	C10	C11	0.9°	0.0°
C6	C7	C10	C8	177.0°	180.0°
C6	C7	C8	C9	2.7°	0.0°
C6	C7	C10	C15	176.5°	180.0°
C6	C7	C8	H4	177.3°	180.0°
C7	C6	N	H8	179.5°	180.0°
C3	C9	C8	C7	0.2°	0.0°
C3	C9	C8	H9	180.0°	180.0°
C3	C9	C8	H4	179.8°	180.0°
C9	C3	C1	H10	131.7°	174.2°
C11	C12	C13	H7	180.0°	180.0°
C12	C11	C10	C7	178.7°	180.0°
C11	C12	C13	C14	0.2°	0.0°
C12	C11	C10	C15	0.8°	0.1°
C11	C12	C13	H5	179.8°	180.0°
C12	C11	N	H8	2.0°	0.0°
C13	C12	C11	C10	0.8°	0.1°
C12	C13	C14	H5	180.0°	180.0°
C12	C13	C14	C15	0.5°	0.1°
C12	C13	C14	CL	179.9°	180.0°
C11	C10	C7	C15	177.4°	179.9°
C11	C10	C7	C8	177.9°	179.9°
C11	C10	C15	C14	0.1°	0.1°
C11	C10	C15	H6	179.9°	180.0°
C10	C11	C12	H7	179.1°	179.9°
C10	C11	N	H8	179.9°	180.0°
C10	C7	C8	C9	174.0°	180.0°
C7	C10	C15	C14	177.3°	180.0°
C10	C7	C8	H4	6.0°	0.0°
C7	C10	C15	H6	2.7°	0.1°
C7	C8	C9	H4	180.0°	180.0°
C8	C7	C10	C15	0.5°	0.0°
C7	C8	C9	H9	179.8°	180.0°
C13	C14	C15	C10	0.5°	0.1°
C13	C14	C15	CL	179.6°	179.9°
C13	C14	C15	H6	179.5°	180.0°
C14	C13	C12	H7	179.8°	180.0°
C10	C15	C14	H6	180.0°	179.9°
C10	C15	C14	CL	179.9°	180.0°
C15	C14	C13	H5	179.5°	180.0°
CL	C14	C13	H5	0.1°	0.0°
CL	C14	C15	H6	0.1°	0.1°
H1	C5	H2	H3	120.0°	120.0°
H4	C8	C9	H9	0.2°	0.0°
H5	C13	C12	H7	0.2°	0.0°
H10	C1	C	H11	63.6°	60.0°
H10	C1	C	H12	176.3°	60.0°
H10	C1	C	H13	56.4°	180.0°
H11	C	H12	H13	120.0°	120.0°

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