59Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O22	C15	doub	1.21Å	1.34Å
O23	C15	sing	1.35Å	1.23Å
C15	C13	sing	1.48Å	1.52Å
C13	C12	sing	1.40Å	1.41Å	Aromatic
C13	N14	doub	1.32Å	1.36Å	Aromatic
C12	C11	doub	1.37Å	1.40Å	Aromatic
N14	C9	sing	1.33Å	1.37Å	Aromatic
C11	C10	sing	1.41Å	1.41Å	Aromatic
C8	C6	doub	1.36Å	1.41Å	Aromatic
C8	C7	sing	1.39Å	1.40Å	Aromatic
C6	C16	sing	1.41Å	1.41Å	Aromatic
C9	C10	doub	1.42Å	1.42Å	Aromatic
C9	C1	sing	1.46Å	1.42Å	Aromatic
C7	C5	doub	1.38Å	1.42Å	Aromatic
C16	C21	doub	1.41Å	1.41Å	Aromatic
C16	C17	sing	1.42Å	1.42Å	Aromatic
C10	C4	sing	1.40Å	1.41Å	Aromatic
C21	C20	sing	1.36Å	1.41Å	Aromatic
C5	C17	sing	1.42Å	1.43Å	Aromatic
C5	C1	sing	1.48Å	1.49Å
C17	C18	doub	1.40Å	1.42Å	Aromatic
C20	C19	doub	1.39Å	1.40Å	Aromatic
C1	C2	doub	1.39Å	1.41Å	Aromatic
C18	C19	sing	1.36Å	1.40Å	Aromatic
C4	C3	doub	1.36Å	1.40Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C18	H5	sing	1.08Å	1.08Å
C19	H6	sing	1.08Å	1.08Å
C20	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C4	H9	sing	1.08Å	1.08Å
C6	H10	sing	1.08Å	1.08Å
C7	H11	sing	1.08Å	1.08Å
C8	H12	sing	1.08Å	1.08Å
O23	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O22	C15	O23	120.7°	120.0°
O22	C15	C13	119.3°	120.0°
O23	C15	C13	120.0°	120.0°
C15	O23	H13	109.5°	117.0°
C15	C13	C12	120.1°	119.3°
C15	C13	N14	120.3°	119.3°
C12	C13	N14	119.5°	121.4°
C13	C12	C11	119.8°	119.9°
C13	C12	H4	120.0°	120.1°
C13	N14	C9	122.1°	121.3°
C12	C11	C10	119.9°	118.2°
C12	C11	H3	120.1°	120.9°
C11	C12	H4	120.1°	120.1°
N14	C9	C10	119.9°	120.2°
N14	C9	C1	121.3°	121.2°
C11	C10	C9	118.7°	119.1°
C11	C10	C4	121.1°	121.3°
C10	C11	H3	120.1°	120.9°
C6	C8	C7	119.2°	121.1°
C8	C6	C16	121.4°	120.1°
C8	C6	H10	119.3°	119.9°
C6	C8	H12	120.4°	119.4°
C8	C7	C5	120.4°	120.7°
C8	C7	H11	119.8°	119.6°
C7	C8	H12	120.4°	119.4°
C6	C16	C21	120.2°	121.1°
C6	C16	C17	119.9°	119.5°
C16	C6	H10	119.3°	120.0°
C10	C9	C1	118.8°	118.6°
C9	C10	C4	120.1°	119.6°
C9	C1	C5	120.9°	120.6°
C9	C1	C2	120.1°	118.7°
C7	C5	C17	120.7°	119.3°
C7	C5	C1	115.8°	120.4°
C5	C7	H11	119.8°	119.7°
C21	C16	C17	119.9°	119.3°
C16	C21	C20	120.3°	119.6°
C16	C21	H8	119.8°	120.2°
C16	C17	C5	118.4°	119.3°
C16	C17	C18	118.3°	119.5°
C10	C4	C3	121.0°	120.6°
C10	C4	H9	119.5°	119.7°
C21	C20	C19	120.6°	121.0°
C21	C20	H7	119.7°	119.5°
C20	C21	H8	119.9°	120.2°
C17	C5	C1	123.4°	120.3°
C5	C17	C18	123.3°	121.3°
C5	C1	C2	118.9°	120.7°
C17	C18	C19	121.6°	119.7°
C17	C18	H5	119.2°	120.2°
C20	C19	C18	119.2°	120.9°
C20	C19	H6	120.4°	119.5°
C19	C20	H7	119.7°	119.5°
C1	C2	C3	120.8°	120.7°
C1	C2	H1	119.6°	119.6°
C19	C18	H5	119.2°	120.1°
C18	C19	H6	120.4°	119.6°
C4	C3	C2	119.1°	121.8°
C4	C3	H2	120.4°	119.1°
C3	C4	H9	119.5°	119.7°
C3	C2	H1	119.6°	119.7°
C2	C3	H2	120.5°	119.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O22	C15	O23	C13	178.8°	180.0°
O22	C15	C13	C12	132.6°	0.0°
O22	C15	C13	N14	47.0°	178.3°
O22	C15	O23	H13	0.0°	0.0°
O23	C15	C13	C12	46.2°	180.0°
O23	C15	C13	N14	134.1°	1.8°
C15	C13	C12	N14	179.6°	178.2°
C15	C13	C12	C11	179.6°	180.0°
C15	C13	N14	C9	179.2°	179.4°
C15	C13	C12	H4	0.4°	1.1°
C13	C15	O23	H13	178.8°	180.0°
C13	C12	C11	H4	180.0°	178.9°
C12	C13	N14	C9	1.1°	1.2°
C13	C12	C11	C10	0.1°	1.1°
C13	C12	C11	H3	179.9°	178.8°
N14	C13	C12	C11	0.0°	1.8°
C13	N14	C9	C10	2.1°	0.0°
C13	N14	C9	C1	178.0°	179.3°
N14	C13	C12	H4	180.0°	179.3°
C12	C11	C10	H3	180.0°	180.0°
C12	C11	C10	C9	0.9°	0.0°
C12	C11	C10	C4	179.5°	179.4°
N14	C9	C10	C11	2.0°	0.6°
N14	C9	C10	C1	179.9°	179.4°
N14	C9	C10	C4	179.4°	180.0°
N14	C9	C1	C5	1.4°	0.4°
N14	C9	C1	C2	179.5°	180.0°
C11	C10	C9	C4	178.6°	179.5°
C11	C10	C9	C1	178.1°	179.9°
C11	C10	C4	C3	178.4°	179.7°
C10	C11	C12	H4	179.9°	180.0°
C11	C10	C4	H9	1.6°	0.2°
C6	C8	C7	H12	180.0°	180.0°
C8	C6	C16	H10	180.0°	179.9°
C6	C8	C7	C5	0.2°	0.3°
C8	C6	C16	C21	179.6°	179.9°
C8	C6	C16	C17	0.2°	0.3°
C6	C8	C7	H11	179.8°	179.9°
C7	C8	C6	C16	0.2°	0.0°
C8	C7	C5	H11	180.0°	179.8°
C8	C7	C5	C17	0.1°	0.3°
C8	C7	C5	C1	180.0°	179.8°
C7	C8	C6	H10	179.8°	179.9°
C6	C16	C21	C17	179.7°	179.6°
C6	C16	C21	C20	178.6°	179.7°
C6	C16	C17	C5	0.0°	0.4°
C6	C16	C17	C18	178.7°	179.7°
C6	C16	C21	H8	1.4°	0.3°
C16	C6	C8	H12	179.8°	180.0°
C10	C9	C1	C5	178.5°	179.8°
C10	C9	C1	C2	0.4°	0.6°
C9	C10	C4	C3	0.2°	0.3°
C9	C10	C11	H3	179.1°	180.0°
C9	C10	C4	H9	179.8°	179.7°
C9	C1	C5	C7	113.4°	114.7°
C1	C9	C10	C4	0.5°	0.6°
C9	C1	C5	C17	66.5°	65.3°
C9	C1	C5	C2	178.1°	179.6°
C9	C1	C2	C3	0.0°	0.3°
C9	C1	C2	H1	180.0°	179.7°
C7	C5	C17	C16	0.0°	0.1°
C7	C5	C17	C1	179.9°	180.0°
C7	C5	C17	C18	178.6°	180.0°
C7	C5	C1	C2	64.7°	64.9°
C5	C7	C8	H12	179.8°	179.7°
C16	C21	C20	H8	180.0°	180.0°
C21	C16	C17	C5	179.7°	180.0°
C21	C16	C17	C18	1.0°	0.1°
C16	C21	C20	C19	2.5°	0.1°
C16	C21	C20	H7	177.5°	179.9°
C21	C16	C6	H10	0.4°	0.0°
C17	C16	C21	C20	1.2°	0.1°
C16	C17	C5	C18	178.6°	179.9°
C16	C17	C5	C1	179.9°	179.9°
C16	C17	C18	C19	2.2°	0.1°
C16	C17	C18	H5	177.8°	179.9°
C17	C16	C21	H8	178.8°	179.9°
C17	C16	C6	H10	179.8°	179.6°
C10	C4	C3	H9	180.0°	180.0°
C10	C4	C3	C2	0.2°	0.0°
C10	C4	C3	H2	179.8°	179.9°
C4	C10	C11	H3	0.5°	0.6°
C21	C20	C19	H7	180.0°	179.9°
C21	C20	C19	C18	3.6°	0.1°
C21	C20	C19	H6	176.4°	180.0°
C17	C5	C1	C2	115.4°	115.0°
C5	C17	C18	C19	179.2°	180.0°
C5	C17	C18	H5	0.8°	0.0°
C17	C5	C7	H11	179.9°	180.0°
C1	C5	C17	C18	1.5°	0.1°
C5	C1	C2	C3	178.1°	179.9°
C5	C1	C2	H1	1.9°	0.1°
C1	C5	C7	H11	0.0°	0.0°
C17	C18	C19	C20	3.6°	0.1°
C17	C18	C19	H5	180.0°	180.0°
C17	C18	C19	H6	176.5°	180.0°
C20	C19	C18	H6	180.0°	179.9°
C20	C19	C18	H5	176.5°	179.9°
C19	C20	C21	H8	177.5°	179.9°
C1	C2	C3	C4	0.3°	0.0°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	H2	179.7°	180.0°
C18	C19	C20	H7	176.4°	179.9°
C4	C3	C2	H2	180.0°	180.0°
C4	C3	C2	H1	179.7°	180.0°
C2	C3	C4	H9	179.8°	180.0°
H1	C2	C3	H2	0.3°	0.0°
H2	C3	C4	H9	0.2°	0.0°
H3	C11	C12	H4	0.1°	0.1°
H5	C18	C19	H6	3.5°	0.0°
H6	C19	C20	H7	3.6°	0.2°
H7	C20	C21	H8	2.5°	0.1°
H10	C6	C8	H12	0.2°	0.0°
H11	C7	C8	H12	0.2°	0.1°

Release date:	2015-09-30
Definition date:	2015-08-28
Last modified:	2015-09-25
Release status:	REL
Processing site:	RCSB
Derived from:	5DGN