NL3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C21	doub	1.39Å	1.39Å	Aromatic
C20	C19	sing	1.36Å	1.39Å	Aromatic
C21	C22	sing	1.38Å	1.37Å	Aromatic
C19	C23	doub	1.41Å	1.39Å	Aromatic
C22	CL1	sing	1.74Å	1.81Å
C22	C24	doub	1.40Å	1.37Å	Aromatic
C23	C24	sing	1.40Å	1.38Å	Aromatic
C23	C18	sing	1.45Å	1.46Å	Aromatic
C24	S1	sing	1.76Å	1.65Å	Aromatic
O19	C16	doub	1.22Å	1.25Å
C18	C17	doub	1.33Å	1.40Å	Aromatic
S1	C17	sing	1.75Å	1.73Å	Aromatic
C17	C6	sing	1.48Å	1.47Å
C16	O18	sing	1.35Å	1.25Å
C16	C13	sing	1.47Å	1.49Å
N14	C13	sing	1.37Å	1.34Å	Aromatic
N14	N15	sing	1.28Å	1.40Å	Aromatic
C13	C12	doub	1.39Å	1.39Å	Aromatic
C6	C7	doub	1.39Å	1.37Å	Aromatic
C6	C5	sing	1.40Å	1.38Å	Aromatic
N15	C11	doub	1.31Å	1.34Å	Aromatic
C7	C8	sing	1.39Å	1.38Å	Aromatic
C5	C4	doub	1.36Å	1.40Å	Aromatic
C12	C11	sing	1.40Å	1.38Å	Aromatic
C11	C10	sing	1.51Å	1.51Å
C8	C9	doub	1.41Å	1.37Å	Aromatic
C8	N1	sing	1.38Å	1.34Å	Aromatic
C4	C9	sing	1.40Å	1.39Å	Aromatic
C10	N1	sing	1.47Å	1.47Å
C9	C3	sing	1.46Å	1.42Å	Aromatic
N1	C2	sing	1.37Å	1.36Å	Aromatic
C3	C2	doub	1.34Å	1.39Å	Aromatic
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.08Å	1.08Å
C18	H4	sing	1.08Å	1.08Å
C19	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C20	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C4	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.08Å	1.08Å
C7	H12	sing	1.08Å	1.08Å
N14	H13	sing	0.97Å	1.00Å
O18	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C20	C19	120.3°	120.6°
C20	C21	C22	122.4°	120.2°
C21	C20	H7	119.9°	119.7°
C20	C21	H8	118.8°	120.0°
C20	C19	C23	118.8°	120.4°
C20	C19	H5	120.6°	119.8°
C19	C20	H7	119.9°	119.6°
C21	C22	CL1	123.9°	119.9°
C21	C22	C24	115.2°	120.2°
C22	C21	H8	118.8°	119.9°
C19	C23	C24	117.7°	118.9°
C19	C23	C18	127.5°	129.2°
C23	C19	H5	120.6°	119.8°
CL1	C22	C24	121.0°	119.8°
C22	C24	C23	125.7°	119.6°
C22	C24	S1	122.1°	130.5°
C24	C23	C18	114.8°	112.0°
C23	C24	S1	112.3°	109.9°
C23	C18	C17	106.8°	114.6°
C23	C18	H4	126.6°	122.7°
C24	S1	C17	92.7°	92.3°
O19	C16	O18	121.9°	120.0°
O19	C16	C13	119.1°	120.0°
C18	C17	S1	113.3°	111.3°
C18	C17	C6	141.8°	124.4°
C17	C18	H4	126.6°	122.6°
S1	C17	C6	104.6°	124.4°
C17	C6	C7	113.7°	119.8°
C17	C6	C5	125.6°	119.8°
O18	C16	C13	119.0°	120.0°
C16	O18	H14	109.5°	117.0°
C16	C13	N14	124.4°	126.9°
C16	C13	C12	128.1°	126.9°
C13	N14	N15	108.3°	109.6°
N14	C13	C12	107.6°	106.2°
C13	N14	H13	125.9°	125.2°
N14	N15	C11	108.6°	110.9°
N15	N14	H13	125.8°	125.2°
C13	C12	C11	108.2°	105.3°
C13	C12	H3	125.9°	127.3°
C7	C6	C5	120.4°	120.4°
C6	C7	C8	121.4°	119.7°
C6	C7	H12	119.3°	120.2°
C6	C5	C4	118.7°	120.4°
C6	C5	H11	120.7°	119.8°
N15	C11	C12	107.4°	107.9°
N15	C11	C10	126.0°	126.1°
C7	C8	C9	118.9°	119.5°
C7	C8	N1	134.2°	133.4°
C8	C7	H12	119.3°	120.1°
C5	C4	C9	120.0°	120.0°
C5	C4	H10	120.0°	120.0°
C4	C5	H11	120.6°	119.8°
C12	C11	C10	126.6°	126.0°
C11	C12	H3	125.9°	127.4°
C11	C10	N1	116.4°	109.5°
C11	C10	H1	107.7°	109.5°
C11	C10	H2	107.7°	109.5°
C9	C8	N1	106.9°	107.1°
C8	C9	C4	120.7°	120.1°
C8	C9	C3	110.8°	106.0°
C8	N1	C10	127.5°	125.1°
C8	N1	C2	108.9°	109.9°
C4	C9	C3	128.6°	133.9°
C9	C4	H10	120.0°	120.0°
C10	N1	C2	123.6°	125.1°
N1	C10	H1	107.7°	109.4°
N1	C10	H2	107.7°	109.5°
C9	C3	C2	101.9°	107.1°
C9	C3	H9	129.0°	126.5°
N1	C2	C3	111.5°	109.9°
N1	C2	H6	124.3°	125.0°
C3	C2	H6	124.3°	125.0°
C2	C3	H9	129.0°	126.5°
H1	C10	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C20	C19	H7	180.0°	179.9°
C20	C21	C22	H8	180.0°	180.0°
C21	C20	C19	C23	0.4°	0.1°
C20	C21	C22	CL1	179.9°	180.0°
C20	C21	C22	C24	0.3°	0.0°
C21	C20	C19	H5	179.6°	180.0°
C19	C20	C21	C22	0.5°	0.1°
C20	C19	C23	H5	180.0°	179.9°
C20	C19	C23	C24	0.1°	0.1°
C20	C19	C23	C18	180.0°	179.9°
C19	C20	C21	H8	179.5°	179.9°
C21	C22	CL1	C24	179.7°	180.0°
C21	C22	C24	C23	0.1°	0.0°
C21	C22	C24	S1	179.9°	179.7°
C22	C21	C20	H7	179.5°	180.0°
C19	C23	C24	C22	0.0°	0.0°
C19	C23	C24	C18	179.9°	180.0°
C19	C23	C24	S1	180.0°	179.7°
C19	C23	C18	C17	178.7°	179.9°
C19	C23	C18	H4	1.3°	0.0°
C23	C19	C20	H7	179.6°	180.0°
CL1	C22	C24	C23	179.8°	180.0°
CL1	C22	C24	S1	0.2°	0.3°
CL1	C22	C21	H8	0.1°	0.0°
C22	C24	C23	S1	180.0°	179.7°
C22	C24	C23	C18	179.9°	180.0°
C22	C24	S1	C17	179.0°	180.0°
C24	C22	C21	H8	179.6°	180.0°
C24	C23	C18	C17	1.4°	0.0°
C23	C24	S1	C17	1.0°	0.3°
C24	C23	C18	H4	178.6°	179.9°
C24	C23	C19	H5	179.8°	179.9°
C18	C23	C24	S1	0.1°	0.3°
C23	C18	C17	H4	180.0°	179.9°
C23	C18	C17	S1	2.1°	0.2°
C23	C18	C17	C6	175.7°	180.0°
C18	C23	C19	H5	0.0°	0.1°
C24	S1	C17	C18	1.8°	0.3°
C24	S1	C17	C6	177.8°	179.9°
O19	C16	O18	C13	179.3°	179.9°
O19	C16	C13	N14	14.8°	180.0°
O19	C16	C13	C12	165.1°	0.0°
O19	C16	O18	H14	0.0°	0.1°
C18	C17	S1	C6	176.0°	179.8°
C18	C17	C6	C7	157.4°	180.0°
C18	C17	C6	C5	28.7°	0.0°
S1	C17	C6	C7	28.6°	0.3°
S1	C17	C6	C5	145.3°	179.7°
S1	C17	C18	H4	177.9°	179.7°
C17	C6	C7	C5	174.3°	180.0°
C17	C6	C7	C8	176.2°	180.0°
C17	C6	C5	C4	176.5°	179.9°
C6	C17	C18	H4	4.2°	0.1°
C17	C6	C5	H11	3.5°	0.0°
C17	C6	C7	H12	3.7°	0.0°
O18	C16	C13	N14	165.9°	0.1°
O18	C16	C13	C12	14.2°	179.9°
C16	C13	N14	C12	179.9°	180.0°
C16	C13	N14	N15	179.8°	179.7°
C16	C13	C12	C11	179.9°	180.0°
C16	C13	C12	H3	0.0°	0.0°
C16	C13	N14	H13	0.2°	0.0°
C13	C16	O18	H14	179.2°	180.0°
C13	N14	N15	H13	180.0°	179.7°
C13	N14	N15	C11	0.4°	0.4°
N14	C13	C12	C11	0.2°	0.0°
N14	C13	C12	H3	179.9°	180.0°
N15	N14	C13	C12	0.1°	0.3°
N14	N15	C11	C12	0.5°	0.4°
N14	N15	C11	C10	179.4°	179.8°
C13	C12	C11	N15	0.4°	0.2°
C13	C12	C11	H3	180.0°	180.0°
C13	C12	C11	C10	179.3°	180.0°
C12	C13	N14	H13	179.9°	180.0°
C6	C7	C8	H12	180.0°	179.9°
C7	C6	C5	C4	3.0°	0.1°
C6	C7	C8	C9	0.2°	0.1°
C6	C7	C8	N1	179.4°	179.6°
C7	C6	C5	H11	177.0°	180.0°
C5	C6	C7	C8	2.0°	0.0°
C6	C5	C4	H11	180.0°	179.9°
C6	C5	C4	C9	2.3°	0.1°
C6	C5	C4	H10	177.7°	180.0°
C5	C6	C7	H12	178.0°	180.0°
N15	C11	C12	C10	178.9°	179.8°
N15	C11	C10	N1	88.3°	55.3°
N15	C11	C10	H1	150.7°	64.7°
N15	C11	C10	H2	32.7°	175.3°
N15	C11	C12	H3	179.6°	179.8°
C11	N15	N14	H13	179.6°	179.8°
C7	C8	C9	N1	179.8°	179.7°
C7	C8	C9	C4	0.4°	0.1°
C7	C8	N1	C10	1.2°	0.3°
C7	C8	C9	C3	179.4°	180.0°
C7	C8	N1	C2	179.2°	180.0°
C5	C4	C9	C8	0.6°	0.1°
C5	C4	C9	H10	180.0°	179.9°
C5	C4	C9	C3	179.6°	180.0°
C12	C11	C10	N1	90.3°	125.0°
C12	C11	C10	H1	30.6°	115.1°
C12	C11	C10	H2	148.6°	4.9°
C11	C10	N1	C8	6.0°	85.0°
C11	C10	N1	H1	121.0°	120.0°
C11	C10	N1	H2	121.0°	120.1°
C11	C10	N1	C2	174.3°	95.5°
C11	C10	H1	H2	116.9°	120.1°
C10	C11	C12	H3	0.8°	0.0°
C8	C9	C4	C3	179.8°	179.9°
C9	C8	N1	C10	179.1°	179.9°
C9	C8	N1	C2	0.5°	0.5°
C8	C9	C3	C2	0.1°	0.0°
C8	C9	C3	H9	180.0°	179.9°
C8	C9	C4	H10	179.3°	180.0°
C9	C8	C7	H12	179.7°	180.0°
N1	C8	C9	C4	179.8°	179.8°
C8	N1	C10	C2	179.6°	179.6°
N1	C8	C9	C3	0.4°	0.3°
C8	N1	C2	C3	0.5°	0.4°
C8	N1	C10	H1	127.0°	35.0°
C8	N1	C10	H2	115.0°	155.0°
C8	N1	C2	H6	179.5°	179.8°
N1	C8	C7	H12	0.6°	0.4°
C4	C9	C3	C2	179.9°	180.0°
C4	C9	C3	H9	0.2°	0.0°
C9	C4	C5	H11	177.7°	180.0°
C10	N1	C2	C3	179.2°	179.9°
N1	C10	H1	H2	116.8°	120.0°
C10	N1	C2	H6	0.8°	0.2°
C9	C3	C2	N1	0.3°	0.2°
C9	C3	C2	H9	180.0°	180.0°
C9	C3	C2	H6	179.8°	180.0°
C3	C9	C4	H10	0.4°	0.1°
N1	C2	C3	H6	180.0°	179.7°
C2	N1	C10	H1	53.4°	144.6°
C2	N1	C10	H2	64.6°	24.6°
N1	C2	C3	H9	179.7°	179.8°
H5	C19	C20	H7	0.4°	0.1°
H6	C2	C3	H9	0.2°	0.0°
H7	C20	C21	H8	0.5°	0.0°
H10	C4	C5	H11	2.4°	0.1°

Release date:	2021-06-23
Definition date:	2021-04-05
Last modified:	2021-06-18
Release status:	REL
Processing site:	RCSB
Derived from:	7MCY