YSM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C25	sing	1.35Å	1.36Å
C25	C24	doub	1.39Å	1.39Å	Aromatic
C25	C26	sing	1.38Å	1.39Å	Aromatic
C24	C23	sing	1.38Å	1.39Å	Aromatic
C26	C21	doub	1.38Å	1.38Å	Aromatic
C23	C22	doub	1.38Å	1.39Å	Aromatic
C21	C22	sing	1.38Å	1.39Å	Aromatic
C21	C20	sing	1.51Å	1.52Å
C20	O4	sing	1.43Å	1.41Å
O4	C19	sing	1.36Å	1.40Å
C18	C19	doub	1.39Å	1.40Å	Aromatic
C18	C17	sing	1.38Å	1.39Å	Aromatic
CL1	C17	sing	1.74Å	1.78Å
C19	C27	sing	1.38Å	1.40Å	Aromatic
C17	C16	doub	1.38Å	1.40Å	Aromatic
C27	C15	doub	1.39Å	1.39Å	Aromatic
C16	C15	sing	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.48Å	1.52Å
O1	C1	doub	1.22Å	1.40Å
C14	C1	sing	1.42Å	1.38Å
C14	C13	doub	1.38Å	1.38Å
C1	N1	sing	1.35Å	1.34Å
C13	C8	sing	1.41Å	1.38Å
N1	C2	sing	1.40Å	1.47Å
N1	C7	sing	1.36Å	1.34Å
C2	C3	doub	1.39Å	1.40Å	Aromatic
C2	C6	sing	1.39Å	1.38Å	Aromatic
C3	N2	sing	1.32Å	1.35Å	Aromatic
C8	C7	doub	1.38Å	1.39Å
C8	C9	sing	1.48Å	1.53Å
C6	C5	doub	1.38Å	1.39Å	Aromatic
N2	C4	doub	1.32Å	1.34Å	Aromatic
C11	C9	doub	1.36Å	1.40Å
C11	N4	sing	1.37Å	1.35Å
C5	C4	sing	1.38Å	1.40Å	Aromatic
C9	C10	sing	1.47Å	1.39Å
N4	C12	sing	1.34Å	1.34Å
C10	O2	doub	1.22Å	1.40Å
C10	N3	sing	1.35Å	1.35Å
C12	N3	sing	1.35Å	1.34Å
C12	O3	doub	1.22Å	1.39Å
C3	H1	sing	1.08Å	1.08Å
N3	H6	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C20	H13	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C22	H14	sing	1.08Å	1.08Å
C23	H15	sing	1.08Å	1.08Å
C24	H16	sing	1.08Å	1.08Å
C26	H17	sing	1.08Å	1.08Å
C27	H18	sing	1.08Å	1.08Å
N4	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C25	C24	119.3°	120.0°
F1	C25	C26	120.0°	120.1°
C24	C25	C26	120.7°	119.9°
C25	C24	C23	120.0°	120.0°
C25	C24	H16	119.9°	120.0°
C25	C26	C21	119.1°	120.0°
C25	C26	H17	120.5°	120.0°
C24	C23	C22	119.2°	120.0°
C24	C23	H15	120.4°	120.0°
C23	C24	H16	120.0°	120.0°
C26	C21	C22	120.3°	120.0°
C26	C21	C20	120.1°	120.0°
C21	C26	H17	120.5°	120.0°
C23	C22	C21	120.6°	120.1°
C23	C22	H14	119.7°	120.0°
C22	C23	H15	120.4°	120.0°
C22	C21	C20	119.6°	120.0°
C21	C22	H14	119.7°	120.0°
C21	C20	O4	108.1°	109.4°
C21	C20	H13	109.8°	109.5°
C21	C20	H12	109.8°	109.5°
C20	O4	C19	113.0°	117.0°
O4	C20	H13	109.8°	109.4°
O4	C20	H12	109.8°	109.4°
O4	C19	C18	121.0°	119.9°
O4	C19	C27	118.3°	120.0°
C19	C18	C17	118.9°	120.1°
C18	C19	C27	120.6°	120.1°
C19	C18	H11	120.6°	119.9°
C18	C17	CL1	120.2°	119.9°
C18	C17	C16	120.8°	120.2°
C17	C18	H11	120.5°	120.0°
CL1	C17	C16	119.0°	119.9°
C19	C27	C15	119.9°	119.8°
C19	C27	H18	120.0°	120.0°
C17	C16	C15	119.9°	119.9°
C17	C16	H10	120.1°	120.0°
C27	C15	C16	119.9°	119.8°
C27	C15	C14	119.9°	120.1°
C15	C27	H18	120.0°	120.1°
C16	C15	C14	120.2°	120.1°
C15	C16	H10	120.1°	120.1°
C15	C14	C1	120.9°	120.4°
C15	C14	C13	119.5°	120.4°
O1	C1	C14	118.5°	119.9°
O1	C1	N1	121.1°	119.9°
C1	C14	C13	119.6°	119.2°
C14	C1	N1	120.4°	120.2°
C14	C13	C8	120.0°	119.0°
C14	C13	H9	120.0°	120.6°
C1	N1	C2	119.9°	119.4°
C1	N1	C7	120.8°	121.1°
C13	C8	C7	118.1°	119.7°
C13	C8	C9	117.9°	120.2°
C8	C13	H9	120.0°	120.4°
C2	N1	C7	119.3°	119.5°
N1	C2	C3	119.2°	120.4°
N1	C2	C6	122.1°	120.5°
N1	C7	C8	121.2°	120.8°
N1	C7	H5	119.4°	119.6°
C3	C2	C6	118.8°	119.1°
C2	C3	N2	122.2°	120.6°
C2	C3	H1	118.9°	119.8°
C2	C6	C5	118.1°	118.3°
C2	C6	H4	120.9°	120.8°
C3	N2	C4	119.9°	121.8°
N2	C3	H1	118.9°	119.6°
C7	C8	C9	123.9°	120.1°
C8	C7	H5	119.4°	119.6°
C8	C9	C11	119.2°	120.8°
C8	C9	C10	123.3°	120.9°
C6	C5	C4	120.9°	119.3°
C6	C5	H3	119.6°	120.4°
C5	C6	H4	121.0°	120.8°
N2	C4	C5	120.1°	120.9°
N2	C4	H2	120.0°	119.6°
C9	C11	N4	120.6°	119.5°
C11	C9	C10	117.5°	118.3°
C9	C11	H7	119.7°	120.3°
C11	N4	C12	119.9°	121.4°
N4	C11	H7	119.7°	120.2°
C11	N4	H8	120.1°	119.3°
C5	C4	H2	119.9°	119.5°
C4	C5	H3	119.5°	120.3°
C9	C10	O2	121.4°	120.6°
C9	C10	N3	119.7°	118.7°
N4	C12	N3	121.1°	121.8°
N4	C12	O3	120.2°	119.1°
C12	N4	H8	120.0°	119.3°
O2	C10	N3	118.8°	120.6°
C10	N3	C12	121.2°	120.3°
C10	N3	H6	119.4°	119.9°
N3	C12	O3	118.7°	119.1°
C12	N3	H6	119.4°	119.8°
H13	C20	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C25	C24	C26	179.9°	179.7°
F1	C25	C24	C23	179.8°	179.9°
F1	C25	C26	C21	179.4°	179.7°
F1	C25	C24	H16	0.2°	0.1°
F1	C25	C26	H17	0.7°	0.3°
C25	C24	C23	H16	180.0°	179.9°
C24	C25	C26	C21	0.5°	0.6°
C25	C24	C23	C22	0.2°	0.1°
C25	C24	C23	H15	179.8°	180.0°
C24	C25	C26	H17	179.5°	180.0°
C26	C25	C24	C23	0.1°	0.3°
C25	C26	C21	H17	180.0°	179.4°
C25	C26	C21	C22	0.6°	0.6°
C25	C26	C21	C20	179.0°	179.8°
C26	C25	C24	H16	179.9°	179.8°
C24	C23	C22	H15	180.0°	179.9°
C24	C23	C22	C21	0.2°	0.1°
C24	C23	C22	H14	179.8°	180.0°
C26	C21	C22	C23	0.3°	0.4°
C26	C21	C22	C20	178.4°	179.6°
C26	C21	C20	O4	112.0°	90.3°
C26	C21	C20	H13	128.2°	149.7°
C26	C21	C20	H12	7.8°	29.7°
C26	C21	C22	H14	179.7°	179.7°
C23	C22	C21	H14	180.0°	179.9°
C23	C22	C21	C20	178.7°	180.0°
C22	C23	C24	H16	179.7°	180.0°
C22	C21	C20	O4	66.4°	90.1°
C22	C21	C20	H13	53.4°	29.9°
C22	C21	C20	H12	173.8°	150.0°
C21	C22	C23	H15	179.9°	180.0°
C22	C21	C26	H17	179.4°	180.0°
C21	C20	O4	H13	119.8°	120.0°
C21	C20	O4	H12	119.8°	120.0°
C21	C20	O4	C19	168.1°	180.0°
C21	C20	H13	H12	120.6°	120.1°
C20	C21	C22	H14	1.3°	0.1°
C20	C21	C26	H17	0.9°	0.3°
C20	O4	C19	C18	106.6°	0.1°
C20	O4	C19	C27	72.0°	179.7°
O4	C20	H13	H12	120.6°	119.9°
O4	C19	C18	C27	178.5°	179.6°
O4	C19	C18	C17	178.6°	180.0°
O4	C19	C27	C15	178.5°	179.8°
O4	C19	C18	H11	1.3°	0.3°
C19	O4	C20	H13	72.1°	59.9°
C19	O4	C20	H12	48.3°	60.0°
O4	C19	C27	H18	1.5°	0.1°
C19	C18	C17	H11	180.0°	179.7°
C19	C18	C17	CL1	179.8°	179.9°
C19	C18	C17	C16	0.0°	0.0°
C18	C19	C27	C15	0.0°	0.6°
C18	C19	C27	H18	180.0°	179.7°
C18	C17	CL1	C16	179.9°	180.0°
C17	C18	C19	C27	0.1°	0.3°
C18	C17	C16	C15	0.4°	0.0°
C18	C17	C16	H10	179.6°	180.0°
CL1	C17	C16	C15	179.5°	180.0°
CL1	C17	C16	H10	0.5°	0.0°
CL1	C17	C18	H11	0.2°	0.2°
C19	C27	C15	H18	180.0°	179.7°
C19	C27	C15	C16	0.3°	0.5°
C19	C27	C15	C14	179.8°	179.7°
C27	C19	C18	H11	179.8°	180.0°
C17	C16	C15	C27	0.5°	0.2°
C17	C16	C15	H10	180.0°	180.0°
C17	C16	C15	C14	180.0°	179.9°
C16	C17	C18	H11	180.0°	179.7°
C27	C15	C16	C14	179.5°	179.7°
C27	C15	C14	C1	53.6°	64.7°
C27	C15	C14	C13	126.7°	115.3°
C27	C15	C16	H10	179.5°	179.7°
C16	C15	C14	C1	126.9°	115.0°
C16	C15	C14	C13	52.8°	65.0°
C16	C15	C27	H18	179.6°	179.8°
C15	C14	C1	O1	0.1°	0.3°
C15	C14	C1	C13	179.7°	180.0°
C15	C14	C1	N1	179.5°	180.0°
C15	C14	C13	C8	179.7°	180.0°
C15	C14	C13	H9	0.3°	0.0°
C14	C15	C16	H10	0.0°	0.0°
C14	C15	C27	H18	0.2°	0.0°
O1	C1	C14	N1	179.4°	179.7°
O1	C1	C14	C13	179.8°	179.7°
O1	C1	N1	C2	1.7°	0.3°
O1	C1	N1	C7	179.4°	179.8°
C1	C14	C13	C8	0.0°	0.0°
C14	C1	N1	C2	178.9°	180.0°
C14	C1	N1	C7	1.2°	0.1°
C1	C14	C13	H9	180.0°	180.0°
C13	C14	C1	N1	0.7°	0.0°
C14	C13	C8	H9	180.0°	179.9°
C14	C13	C8	C7	0.3°	0.1°
C14	C13	C8	C9	179.8°	180.0°
C1	N1	C2	C7	177.8°	179.9°
C1	N1	C2	C3	76.3°	113.2°
C1	N1	C2	C6	104.8°	67.1°
C1	N1	C7	C8	0.8°	0.1°
C1	N1	C7	H5	179.2°	180.0°
C13	C8	C7	N1	0.1°	0.1°
C13	C8	C7	C9	179.4°	179.9°
C13	C8	C9	C11	20.2°	114.1°
C13	C8	C9	C10	159.2°	65.8°
C13	C8	C7	H5	179.9°	180.0°
N1	C2	C3	C6	178.9°	179.6°
N1	C2	C3	N2	179.7°	180.0°
C2	N1	C7	C8	178.6°	180.0°
N1	C2	C6	C5	179.4°	180.0°
N1	C2	C3	H1	0.3°	0.1°
N1	C2	C6	H4	0.6°	0.0°
C2	N1	C7	H5	1.4°	0.1°
C7	N1	C2	C3	101.5°	66.8°
C7	N1	C2	C6	77.4°	112.8°
N1	C7	C8	H5	180.0°	179.9°
N1	C7	C8	C9	179.3°	180.0°
C2	C3	N2	H1	180.0°	179.9°
C3	C2	C6	C5	0.5°	0.3°
C2	C3	N2	C4	0.7°	0.1°
C3	C2	C6	H4	179.5°	179.6°
C6	C2	C3	N2	0.8°	0.4°
C2	C6	C5	H4	180.0°	180.0°
C2	C6	C5	C4	0.2°	0.0°
C6	C2	C3	H1	179.2°	179.7°
C2	C6	C5	H3	179.8°	180.0°
C3	N2	C4	C5	0.4°	0.2°
C3	N2	C4	H2	179.5°	180.0°
C7	C8	C9	C11	159.2°	66.0°
C7	C8	C9	C10	21.4°	114.1°
C7	C8	C13	H9	179.7°	180.0°
C8	C9	C11	C10	179.4°	179.9°
C8	C9	C11	N4	179.5°	179.7°
C8	C9	C10	O2	0.4°	0.1°
C8	C9	C10	N3	179.8°	180.0°
C9	C8	C7	H5	0.7°	0.1°
C8	C9	C11	H7	0.5°	0.0°
C9	C8	C13	H9	0.2°	0.0°
C6	C5	C4	N2	0.2°	0.2°
C6	C5	C4	H3	180.0°	180.0°
C6	C5	C4	H2	179.8°	180.0°
N2	C4	C5	H2	180.0°	179.7°
C4	N2	C3	H1	179.2°	180.0°
N2	C4	C5	H3	179.8°	179.7°
C9	C11	N4	H7	180.0°	179.7°
C9	C11	N4	C12	0.2°	0.3°
C11	C9	C10	O2	179.7°	180.0°
C11	C9	C10	N3	0.5°	0.1°
C9	C11	N4	H8	179.8°	180.0°
N4	C11	C9	C10	0.2°	0.2°
C11	N4	C12	H8	180.0°	179.7°
C11	N4	C12	N3	0.2°	0.0°
C11	N4	C12	O3	179.8°	180.0°
C4	C5	C6	H4	179.8°	179.9°
C9	C10	O2	N3	179.8°	180.0°
C9	C10	N3	C12	0.5°	0.3°
C9	C10	N3	H6	179.5°	180.0°
C10	C9	C11	H7	179.8°	179.9°
N4	C12	N3	C10	0.2°	0.3°
N4	C12	N3	O3	180.0°	180.0°
N4	C12	N3	H6	179.8°	180.0°
C12	N4	C11	H7	179.8°	180.0°
O2	C10	N3	C12	179.7°	179.7°
O2	C10	N3	H6	0.3°	0.0°
C10	N3	C12	H6	180.0°	179.7°
C10	N3	C12	O3	179.9°	179.7°
N3	C12	N4	H8	179.8°	179.8°
O3	C12	N3	H6	0.1°	0.0°
O3	C12	N4	H8	0.2°	0.2°
H2	C4	C5	H3	0.2°	0.0°
H3	C5	C6	H4	0.2°	0.1°
H7	C11	N4	H8	0.2°	0.3°
H14	C22	C23	H15	0.1°	0.1°
H15	C23	C24	H16	0.2°	0.1°

Release date:	2021-06-30
Definition date:	2021-03-30
Last modified:	2021-06-25
Release status:	REL
Processing site:	RCSB
Derived from:	7M8O