DZS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C22	C21	doub	1.38Å	1.42Å	Aromatic
C22	C23	sing	1.39Å	1.43Å	Aromatic
O4	C23	sing	1.36Å	1.37Å
C21	C19	sing	1.40Å	1.43Å	Aromatic
C23	C17	doub	1.40Å	1.43Å	Aromatic
O3	C20	doub	1.21Å	1.37Å
C19	C20	sing	1.47Å	1.51Å
C19	C18	doub	1.39Å	1.43Å	Aromatic
C17	C18	sing	1.39Å	1.42Å	Aromatic
C17	C16	sing	1.48Å	1.46Å
C20	O2	sing	1.35Å	1.22Å
N4	C16	doub	1.31Å	1.35Å	Aromatic
N4	N3	sing	1.29Å	1.38Å	Aromatic
C16	N1	sing	1.37Å	1.35Å	Aromatic
N3	C7	doub	1.32Å	1.33Å	Aromatic
N1	C5	sing	1.39Å	1.43Å
N1	C7	sing	1.36Å	1.34Å	Aromatic
C6	C1	doub	1.38Å	1.41Å	Aromatic
C6	C5	sing	1.39Å	1.43Å	Aromatic
C1	C2	sing	1.39Å	1.42Å	Aromatic
C5	C4	doub	1.40Å	1.43Å	Aromatic
C7	N2	sing	1.38Å	1.43Å
C2	C3	doub	1.38Å	1.41Å	Aromatic
C4	C3	sing	1.39Å	1.42Å	Aromatic
C4	C8	sing	1.47Å	1.52Å
N2	C9	sing	1.47Å	1.47Å
N2	C8	sing	1.35Å	1.37Å
C9	C10	sing	1.51Å	1.53Å
C8	O1	doub	1.22Å	1.23Å
CL1	C11	sing	1.74Å	1.73Å
C10	C11	doub	1.38Å	1.42Å	Aromatic
C10	C15	sing	1.38Å	1.43Å	Aromatic
C11	C12	sing	1.38Å	1.42Å	Aromatic
C15	C14	doub	1.38Å	1.42Å	Aromatic
C12	C13	doub	1.38Å	1.42Å	Aromatic
C14	C13	sing	1.38Å	1.42Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C18	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
C1	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.08Å	1.08Å
O2	H14	sing	0.97Å	0.95Å
O4	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C22	C23	118.9°	120.3°
C22	C21	C19	120.8°	120.2°
C22	C21	H8	119.6°	119.9°
C21	C22	H9	120.6°	119.9°
C22	C23	O4	119.4°	120.0°
C22	C23	C17	120.8°	120.0°
C23	C22	H9	120.6°	119.8°
O4	C23	C17	119.8°	120.0°
C23	O4	H15	109.5°	114.0°
C21	C19	C20	120.9°	120.0°
C21	C19	C18	119.5°	120.0°
C19	C21	H8	119.6°	119.9°
C23	C17	C18	119.5°	119.8°
C23	C17	C16	119.2°	120.1°
O3	C20	C19	117.0°	120.0°
O3	C20	O2	121.8°	120.0°
C20	C19	C18	119.3°	120.0°
C19	C20	O2	121.2°	120.0°
C19	C18	C17	120.3°	119.8°
C19	C18	H7	119.8°	120.1°
C18	C17	C16	121.3°	120.1°
C17	C18	H7	119.8°	120.1°
C17	C16	N4	119.1°	126.5°
C17	C16	N1	128.1°	126.6°
C20	O2	H14	109.5°	117.0°
C16	N4	N3	106.9°	110.0°
N4	C16	N1	110.5°	106.9°
N4	N3	C7	105.0°	110.1°
C16	N1	C5	133.1°	133.0°
C16	N1	C7	103.9°	106.1°
N3	C7	N1	113.0°	107.0°
N3	C7	N2	125.2°	131.6°
C5	N1	C7	122.6°	121.0°
N1	C5	C6	124.3°	121.3°
N1	C5	C4	117.0°	119.1°
N1	C7	N2	121.6°	121.4°
C1	C6	C5	120.9°	119.8°
C6	C1	C2	119.7°	120.6°
C1	C6	H3	119.5°	120.1°
C6	C1	H10	120.2°	119.7°
C6	C5	C4	118.6°	119.6°
C5	C6	H3	119.6°	120.1°
C1	C2	C3	120.0°	120.3°
C1	C2	H1	120.0°	119.8°
C2	C1	H10	120.1°	119.7°
C5	C4	C3	119.9°	120.0°
C5	C4	C8	120.1°	118.6°
C7	N2	C9	118.8°	119.5°
C7	N2	C8	121.1°	121.0°
C2	C3	C4	120.7°	119.6°
C3	C2	H1	120.0°	119.8°
C2	C3	H2	119.7°	120.2°
C3	C4	C8	120.0°	121.4°
C4	C3	H2	119.6°	120.2°
C4	C8	N2	117.4°	118.9°
C4	C8	O1	119.1°	120.5°
C9	N2	C8	120.0°	119.5°
N2	C9	C10	119.1°	109.5°
N2	C9	H11	107.0°	109.5°
N2	C9	H12	107.0°	109.4°
N2	C8	O1	123.4°	120.6°
C9	C10	C11	117.0°	120.0°
C9	C10	C15	123.5°	120.0°
C10	C9	H11	107.0°	109.5°
C10	C9	H12	107.0°	109.5°
CL1	C11	C10	119.8°	120.0°
CL1	C11	C12	119.7°	120.0°
C11	C10	C15	119.5°	120.0°
C10	C11	C12	120.4°	120.0°
C10	C15	C14	119.9°	120.0°
C10	C15	H13	120.1°	120.0°
C11	C12	C13	120.0°	120.0°
C11	C12	H4	120.0°	120.0°
C15	C14	C13	120.5°	120.0°
C15	C14	H6	119.7°	120.0°
C14	C15	H13	120.0°	119.9°
C12	C13	C14	119.6°	120.0°
C13	C12	H4	120.0°	120.0°
C12	C13	H5	120.2°	119.9°
C14	C13	H5	120.2°	120.1°
C13	C14	H6	119.8°	119.9°
H11	C9	H12	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C22	C23	H9	180.0°	179.7°
C21	C22	C23	O4	179.6°	180.0°
C22	C21	C19	H8	180.0°	180.0°
C21	C22	C23	C17	0.4°	0.6°
C22	C21	C19	C20	177.5°	180.0°
C22	C21	C19	C18	2.5°	0.0°
C22	C23	O4	C17	180.0°	179.4°
C23	C22	C21	C19	2.1°	0.3°
C22	C23	C17	C18	2.4°	0.6°
C22	C23	C17	C16	179.2°	179.7°
C23	C22	C21	H8	177.9°	179.7°
C22	C23	O4	H15	180.0°	84.8°
O4	C23	C17	C18	177.7°	180.0°
O4	C23	C17	C16	0.8°	0.3°
O4	C23	C22	H9	0.4°	0.3°
C21	C19	C20	O3	16.7°	180.0°
C21	C19	C20	C18	175.0°	180.0°
C21	C19	C18	C17	0.5°	0.0°
C21	C19	C20	O2	165.7°	0.0°
C21	C19	C18	H7	179.5°	179.9°
C19	C21	C22	H9	177.9°	180.0°
C23	C17	C18	C19	1.9°	0.3°
C23	C17	C18	C16	178.4°	179.7°
C23	C17	C16	N4	95.4°	85.1°
C23	C17	C16	N1	65.6°	94.9°
C23	C17	C18	H7	178.1°	179.8°
C17	C23	C22	H9	179.6°	179.7°
C17	C23	O4	H15	0.0°	95.8°
O3	C20	C19	O2	177.6°	180.0°
O3	C20	C19	C18	158.2°	0.0°
O3	C20	O2	H14	0.0°	0.0°
C20	C19	C18	C17	175.5°	180.0°
C20	C19	C18	H7	4.5°	0.1°
C20	C19	C21	H8	2.5°	0.0°
C19	C20	O2	H14	177.5°	180.0°
C19	C18	C17	H7	180.0°	179.9°
C19	C18	C17	C16	179.7°	180.0°
C18	C19	C20	O2	19.3°	180.0°
C18	C19	C21	H8	177.5°	180.0°
C18	C17	C16	N4	86.2°	95.3°
C18	C17	C16	N1	112.8°	84.7°
C17	C16	N4	N1	164.1°	180.0°
C17	C16	N4	N3	170.7°	180.0°
C17	C16	N1	C5	17.3°	0.0°
C17	C16	N1	C7	170.2°	180.0°
C16	C17	C18	H7	0.3°	0.1°
C16	N4	N3	C7	2.4°	0.0°
N4	C16	N1	C5	179.7°	180.0°
N4	C16	N1	C7	7.9°	0.0°
N3	N4	C16	N1	6.6°	0.0°
N4	N3	C7	N1	2.6°	0.0°
N4	N3	C7	N2	178.7°	180.0°
C16	N1	C7	N3	6.5°	0.0°
C16	N1	C5	C7	171.3°	180.0°
C16	N1	C5	C6	3.7°	0.0°
C16	N1	C5	C4	173.5°	180.0°
C16	N1	C7	N2	177.3°	180.0°
N3	C7	N1	C5	179.9°	180.0°
N3	C7	N1	N2	176.2°	180.0°
N3	C7	N2	C9	1.3°	0.0°
N3	C7	N2	C8	177.3°	180.0°
N1	C5	C6	C1	177.4°	179.8°
N1	C5	C6	C4	177.2°	179.9°
C5	N1	C7	N2	3.9°	0.0°
N1	C5	C4	C3	179.4°	180.0°
N1	C5	C4	C8	1.4°	0.0°
N1	C5	C6	H3	2.6°	0.2°
C7	N1	C5	C6	175.0°	179.9°
C7	N1	C5	C4	2.2°	0.0°
N1	C7	N2	C9	174.4°	180.0°
N1	C7	N2	C8	1.6°	0.0°
C1	C6	C5	H3	180.0°	179.6°
C6	C1	C2	H10	180.0°	179.5°
C1	C6	C5	C4	5.4°	0.1°
C6	C1	C2	C3	2.9°	0.5°
C6	C1	C2	H1	177.1°	179.8°
C5	C6	C1	C2	5.3°	0.5°
C6	C5	C4	C3	3.1°	0.1°
C6	C5	C4	C8	178.9°	179.9°
C5	C6	C1	H10	174.7°	180.0°
C1	C2	C3	H1	180.0°	179.7°
C1	C2	C3	C4	0.8°	0.3°
C1	C2	C3	H2	179.2°	179.7°
C2	C1	C6	H3	174.7°	180.0°
C5	C4	C3	C2	0.9°	0.0°
C5	C4	C3	C8	178.0°	180.0°
C5	C4	C8	N2	3.5°	0.0°
C5	C4	C8	O1	179.4°	180.0°
C5	C4	C3	H2	179.1°	180.0°
C4	C5	C6	H3	174.6°	179.7°
C7	N2	C8	C4	2.0°	0.0°
C7	N2	C9	C8	176.0°	179.9°
C7	N2	C9	C10	101.9°	97.0°
C7	N2	C8	O1	177.7°	180.0°
C7	N2	C9	H11	19.5°	23.1°
C7	N2	C9	H12	136.7°	143.1°
C2	C3	C4	H2	180.0°	180.0°
C2	C3	C4	C8	178.9°	180.0°
C3	C2	C1	H10	177.1°	179.9°
C3	C4	C8	N2	178.5°	180.0°
C3	C4	C8	O1	2.6°	0.0°
C4	C3	C2	H1	179.2°	180.0°
C4	C8	N2	C9	178.0°	180.0°
C4	C8	N2	O1	175.7°	179.9°
C8	C4	C3	H2	1.1°	0.0°
N2	C9	C10	H11	121.4°	120.1°
N2	C9	C10	H12	121.4°	120.0°
C9	N2	C8	O1	6.3°	0.1°
N2	C9	C10	C11	178.9°	84.8°
N2	C9	C10	C15	1.8°	95.2°
N2	C9	H11	H12	115.6°	120.0°
C8	N2	C9	C10	82.1°	83.0°
C8	N2	C9	H11	156.6°	156.9°
C8	N2	C9	H12	39.3°	37.0°
C9	C10	C11	CL1	0.8°	0.3°
C9	C10	C11	C15	179.4°	180.0°
C9	C10	C11	C12	179.4°	180.0°
C9	C10	C15	C14	179.0°	180.0°
C10	C9	H11	H12	115.6°	120.0°
C9	C10	C15	H13	1.0°	0.0°
CL1	C11	C10	C12	179.8°	179.8°
CL1	C11	C10	C15	179.9°	179.7°
CL1	C11	C12	C13	179.5°	179.7°
CL1	C11	C12	H4	0.5°	0.2°
C11	C10	C15	C14	0.3°	0.0°
C10	C11	C12	C13	0.7°	0.1°
C10	C11	C12	H4	179.4°	180.0°
C11	C10	C9	H11	59.7°	35.3°
C11	C10	C9	H12	57.5°	155.3°
C11	C10	C15	H13	179.7°	180.0°
C15	C10	C11	C12	0.1°	0.0°
C10	C15	C14	H13	180.0°	180.0°
C10	C15	C14	C13	0.2°	0.0°
C10	C15	C14	H6	179.8°	180.0°
C15	C10	C9	H11	119.6°	144.7°
C15	C10	C9	H12	123.1°	24.7°
C11	C12	C13	H4	180.0°	179.9°
C11	C12	C13	C14	0.8°	0.1°
C11	C12	C13	H5	179.2°	180.0°
C15	C14	C13	C12	0.4°	0.1°
C15	C14	C13	H6	180.0°	180.0°
C15	C14	C13	H5	179.6°	180.0°
C12	C13	C14	H5	180.0°	179.9°
C12	C13	C14	H6	179.6°	180.0°
C14	C13	C12	H4	179.2°	180.0°
C13	C14	C15	H13	179.8°	180.0°
H1	C2	C3	H2	0.8°	0.0°
H1	C2	C1	H10	2.9°	0.2°
H3	C6	C1	H10	5.3°	0.4°
H4	C12	C13	H5	0.8°	0.0°
H5	C13	C14	H6	0.4°	0.0°
H6	C14	C15	H13	0.1°	0.0°
H8	C21	C22	H9	2.1°	0.0°

Release date:	2018-01-17
Definition date:	2017-11-17
Last modified:	2018-01-12
Release status:	REL
Processing site:	RCSB
Derived from:	6BMW