7ZG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C17	sing	1.74Å	1.74Å
C21	C17	doub	1.38Å	1.38Å	Aromatic
C21	C19	sing	1.38Å	1.38Å	Aromatic
C17	C15	sing	1.38Å	1.39Å	Aromatic
C19	C20	doub	1.38Å	1.38Å	Aromatic
C15	C14	doub	1.38Å	1.39Å	Aromatic
C20	C14	sing	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.51Å	1.51Å
C13	C6	sing	1.51Å	1.51Å
N8	C6	sing	1.35Å	1.36Å
N8	C9	sing	1.40Å	1.40Å
C6	O10	doub	1.21Å	1.22Å
C16	C9	doub	1.39Å	1.39Å	Aromatic
C16	C12	sing	1.38Å	1.38Å	Aromatic
C9	C7	sing	1.39Å	1.39Å	Aromatic
C12	C5	doub	1.40Å	1.38Å	Aromatic
C7	C4	doub	1.39Å	1.40Å	Aromatic
C5	C4	sing	1.41Å	1.41Å	Aromatic
C5	N3	sing	1.36Å	1.39Å	Aromatic
C4	N1	sing	1.39Å	1.37Å	Aromatic
N3	C2	doub	1.31Å	1.37Å	Aromatic
N1	C2	sing	1.37Å	1.31Å	Aromatic
C2	N11	sing	1.38Å	1.38Å
N1	H1	sing	0.97Å	1.00Å
C7	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.08Å	1.08Å
C20	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
N8	H9	sing	0.97Å	1.00Å
N11	H10	sing	0.97Å	1.00Å
N11	H11	sing	0.97Å	1.00Å
C12	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C17	C21	118.4°	120.0°
CL1	C17	C15	121.4°	120.0°
C17	C21	C19	120.0°	119.9°
C21	C17	C15	120.1°	120.0°
C17	C21	H8	120.0°	120.0°
C21	C19	C20	119.9°	120.1°
C19	C21	H8	120.0°	120.0°
C21	C19	H14	120.1°	119.9°
C17	C15	C14	119.9°	119.9°
C17	C15	H6	120.1°	120.0°
C19	C20	C14	120.7°	120.1°
C19	C20	H7	119.6°	120.0°
C20	C19	H14	120.1°	120.0°
C15	C14	C20	119.4°	120.0°
C15	C14	C13	122.0°	120.0°
C14	C15	H6	120.0°	120.0°
C20	C14	C13	118.6°	120.0°
C14	C20	H7	119.7°	119.9°
C14	C13	C6	112.4°	109.5°
C14	C13	H4	108.7°	109.5°
C14	C13	H5	108.7°	109.4°
C13	C6	N8	118.8°	120.0°
C13	C6	O10	120.2°	120.0°
C6	C13	H4	108.8°	109.5°
C6	C13	H5	108.7°	109.5°
C6	N8	C9	122.0°	120.0°
N8	C6	O10	121.0°	120.0°
C6	N8	H9	119.0°	120.0°
N8	C9	C16	117.7°	119.8°
N8	C9	C7	122.1°	119.9°
C9	N8	H9	119.0°	120.0°
C9	C16	C12	120.8°	120.4°
C16	C9	C7	120.2°	120.3°
C9	C16	H13	119.6°	119.7°
C16	C12	C5	119.7°	119.9°
C16	C12	H12	120.1°	120.0°
C12	C16	H13	119.6°	119.8°
C9	C7	C4	119.3°	119.8°
C9	C7	H3	120.3°	120.1°
C12	C5	C4	120.2°	119.6°
C12	C5	N3	133.4°	133.3°
C5	C12	H12	120.1°	120.1°
C7	C4	C5	119.7°	120.0°
C7	C4	N1	133.7°	133.9°
C4	C7	H3	120.4°	120.1°
C4	C5	N3	106.4°	107.1°
C5	C4	N1	106.6°	106.1°
C5	N3	C2	107.2°	109.7°
C4	N1	C2	109.9°	107.3°
C4	N1	H1	125.1°	126.3°
N3	C2	N1	109.8°	109.9°
N3	C2	N11	124.8°	125.1°
N1	C2	N11	125.4°	125.0°
C2	N1	H1	125.0°	126.4°
C2	N11	H10	109.5°	120.0°
C2	N11	H11	109.5°	119.9°
H4	C13	H5	109.4°	109.5°
H10	N11	H11	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C17	C21	C15	179.8°	180.0°
CL1	C17	C21	C19	179.8°	180.0°
CL1	C17	C15	C14	179.7°	180.0°
CL1	C17	C15	H6	0.3°	0.3°
CL1	C17	C21	H8	0.2°	0.0°
C17	C21	C19	H8	180.0°	179.9°
C17	C21	C19	C20	0.0°	0.2°
C21	C17	C15	C14	0.0°	0.0°
C21	C17	C15	H6	180.0°	179.7°
C17	C21	C19	H14	180.0°	179.9°
C19	C21	C17	C15	0.1°	0.0°
C21	C19	C20	H14	180.0°	179.9°
C21	C19	C20	C14	0.3°	0.4°
C21	C19	C20	H7	179.8°	180.0°
C17	C15	C14	H6	180.0°	179.7°
C17	C15	C14	C20	0.2°	0.3°
C17	C15	C14	C13	179.8°	179.7°
C15	C17	C21	H8	179.9°	179.9°
C19	C20	C14	C15	0.4°	0.5°
C19	C20	C14	H7	180.0°	179.6°
C19	C20	C14	C13	179.9°	179.5°
C20	C19	C21	H8	180.0°	179.7°
C15	C14	C20	C13	179.6°	180.0°
C15	C14	C13	C6	39.0°	90.0°
C15	C14	C13	H4	81.4°	30.0°
C15	C14	C13	H5	159.5°	150.0°
C15	C14	C20	H7	179.7°	180.0°
C20	C14	C13	C6	141.4°	90.0°
C20	C14	C13	H4	98.1°	150.0°
C20	C14	C13	H5	21.0°	30.0°
C20	C14	C15	H6	179.8°	180.0°
C14	C20	C19	H14	179.8°	179.7°
C14	C13	C6	H4	120.4°	120.0°
C14	C13	C6	H5	120.4°	120.0°
C14	C13	C6	N8	124.9°	180.0°
C14	C13	C6	O10	56.0°	0.0°
C14	C13	H4	H5	118.7°	119.9°
C13	C14	C15	H6	0.2°	0.0°
C13	C14	C20	H7	0.1°	0.0°
C13	C6	N8	O10	179.1°	180.0°
C13	C6	N8	C9	178.7°	175.4°
C6	C13	H4	H5	118.7°	120.0°
C13	C6	N8	H9	1.2°	4.6°
C6	N8	C9	H9	180.0°	179.9°
C6	N8	C9	C16	135.3°	144.9°
C6	N8	C9	C7	43.4°	35.1°
N8	C6	C13	H4	4.4°	60.0°
N8	C6	C13	H5	114.7°	60.0°
C9	N8	C6	O10	2.1°	4.6°
N8	C9	C16	C7	178.7°	179.9°
N8	C9	C16	C12	179.4°	179.9°
N8	C9	C7	C4	179.3°	180.0°
N8	C9	C7	H3	0.7°	0.1°
N8	C9	C16	H13	0.6°	0.0°
O10	C6	C13	H4	176.4°	120.0°
O10	C6	C13	H5	64.4°	120.0°
O10	C6	N8	H9	177.9°	175.4°
C9	C16	C12	H13	180.0°	179.9°
C9	C16	C12	C5	0.6°	0.1°
C16	C9	C7	C4	0.6°	0.0°
C16	C9	C7	H3	179.4°	180.0°
C16	C9	N8	H9	44.6°	35.1°
C9	C16	C12	H12	179.4°	180.0°
C12	C16	C9	C7	0.7°	0.0°
C16	C12	C5	H12	180.0°	179.9°
C16	C12	C5	C4	0.4°	0.1°
C16	C12	C5	N3	179.7°	179.9°
C9	C7	C4	H3	180.0°	180.0°
C9	C7	C4	C5	0.4°	0.0°
C9	C7	C4	N1	180.0°	179.9°
C7	C9	N8	H9	136.6°	144.8°
C7	C9	C16	H13	179.3°	180.0°
C12	C5	C4	C7	0.3°	0.1°
C12	C5	C4	N3	180.0°	179.9°
C12	C5	C4	N1	180.0°	180.0°
C12	C5	N3	C2	179.8°	180.0°
C5	C12	C16	H13	179.4°	179.9°
C7	C4	C5	N1	179.7°	179.9°
C7	C4	C5	N3	179.7°	180.0°
C7	C4	N1	C2	179.9°	180.0°
C7	C4	N1	H1	0.1°	0.2°
C4	C5	N3	C2	0.2°	0.0°
C5	C4	N1	C2	0.3°	0.0°
C5	C4	N1	H1	179.7°	179.7°
C5	C4	C7	H3	179.6°	180.0°
C4	C5	C12	H12	179.6°	180.0°
N3	C5	C4	N1	0.0°	0.1°
C5	N3	C2	N1	0.4°	0.0°
C5	N3	C2	N11	180.0°	179.7°
N3	C5	C12	H12	0.4°	0.1°
C4	N1	C2	N3	0.4°	0.0°
C4	N1	C2	H1	180.0°	179.8°
C4	N1	C2	N11	180.0°	179.8°
N1	C4	C7	H3	0.0°	0.1°
N3	C2	N1	N11	179.6°	179.8°
N3	C2	N1	H1	179.6°	179.8°
N3	C2	N11	H10	0.0°	179.7°
N3	C2	N11	H11	120.0°	0.3°
N1	C2	N11	H10	179.5°	0.0°
N1	C2	N11	H11	60.5°	180.0°
N11	C2	N1	H1	0.0°	0.0°
C2	N11	H10	H11	120.0°	180.0°
H7	C20	C19	H14	0.2°	0.1°
H8	C21	C19	H14	0.0°	0.1°
H12	C12	C16	H13	0.6°	0.1°

Release date:	2017-06-21
Definition date:	2016-12-13
Last modified:	2017-06-16
Release status:	REL
Processing site:	RCSB
Derived from:	5PAT