2YZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C19	doub	1.38Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.40Å	Aromatic
C19	C20	sing	1.38Å	1.40Å	Aromatic
C16	C15	doub	1.38Å	1.40Å	Aromatic
C20	C21	doub	1.38Å	1.40Å	Aromatic
C15	C21	sing	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.51Å	1.54Å
C14	N12	sing	1.47Å	1.46Å
O28	C11	doub	1.22Å	1.22Å
N12	C11	sing	1.35Å	1.35Å
C11	C10	sing	1.47Å	1.52Å
C29	C10	doub	1.40Å	1.40Å	Aromatic
C29	C31	sing	1.38Å	1.40Å	Aromatic
C10	C9	sing	1.40Å	1.40Å	Aromatic
C31	C33	doub	1.39Å	1.39Å	Aromatic
O4	C3	doub	1.21Å	1.34Å
C9	O1	sing	1.36Å	1.39Å
C9	C35	doub	1.39Å	1.40Å	Aromatic
O1	C2	sing	1.43Å	1.43Å
C33	C35	sing	1.38Å	1.39Å	Aromatic
C33	F34	sing	1.35Å	1.33Å
C3	C2	sing	1.51Å	1.50Å
C3	O6	sing	1.34Å	1.21Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O6	H3	sing	0.97Å	0.95Å
N12	H4	sing	0.97Å	1.00Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.08Å	1.08Å
C21	H11	sing	1.08Å	1.08Å
C29	H12	sing	1.08Å	1.08Å
C31	H13	sing	1.08Å	1.08Å
C35	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C17	C16	119.7°	120.0°
C17	C19	C20	119.7°	120.0°
C19	C17	H8	120.2°	120.0°
C17	C19	H9	120.1°	120.0°
C17	C16	C15	121.4°	120.0°
C17	C16	H7	119.3°	120.0°
C16	C17	H8	120.1°	120.0°
C19	C20	C21	120.3°	120.0°
C20	C19	H9	120.2°	120.0°
C19	C20	H10	119.9°	120.0°
C16	C15	C21	118.5°	120.0°
C16	C15	C14	120.5°	120.0°
C15	C16	H7	119.3°	120.0°
C20	C21	C15	120.5°	120.1°
C21	C20	H10	119.9°	120.1°
C20	C21	H11	119.7°	120.0°
C21	C15	C14	121.0°	120.0°
C15	C21	H11	119.8°	120.0°
C15	C14	N12	110.0°	109.4°
C15	C14	H5	109.4°	109.5°
C15	C14	H6	109.3°	109.5°
C14	N12	C11	120.8°	120.0°
C14	N12	H4	119.6°	120.0°
N12	C14	H5	109.3°	109.4°
N12	C14	H6	109.3°	109.5°
O28	C11	N12	121.6°	120.0°
O28	C11	C10	119.8°	120.0°
N12	C11	C10	118.5°	120.0°
C11	N12	H4	119.6°	120.0°
C11	C10	C29	120.6°	120.2°
C11	C10	C9	120.8°	120.1°
C10	C29	C31	120.8°	119.9°
C29	C10	C9	118.5°	119.7°
C10	C29	H12	119.6°	120.0°
C29	C31	C33	120.0°	120.3°
C31	C29	H12	119.6°	120.0°
C29	C31	H13	120.0°	119.8°
C10	C9	O1	118.8°	120.2°
C10	C9	C35	120.8°	119.7°
C31	C33	C35	120.0°	120.3°
C31	C33	F34	120.3°	119.9°
C33	C31	H13	120.0°	119.9°
O4	C3	C2	115.6°	120.0°
O4	C3	O6	124.9°	120.0°
O1	C9	C35	120.3°	120.1°
C9	O1	C2	116.6°	117.0°
C9	C35	C33	119.8°	120.0°
C9	C35	H14	120.1°	120.0°
O1	C2	C3	110.0°	109.5°
O1	C2	H1	109.3°	109.5°
O1	C2	H2	109.3°	109.4°
C35	C33	F34	119.8°	119.8°
C33	C35	H14	120.1°	119.9°
C2	C3	O6	119.6°	120.0°
C3	C2	H1	109.3°	109.5°
C3	C2	H2	109.4°	109.4°
C3	O6	H3	109.5°	117.0°
H1	C2	H2	109.5°	109.5°
H5	C14	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C17	C16	H8	180.0°	179.9°
C17	C19	C20	H9	180.0°	179.9°
C19	C17	C16	C15	0.4°	0.1°
C17	C19	C20	C21	0.2°	0.0°
C19	C17	C16	H7	179.5°	180.0°
C17	C19	C20	H10	179.8°	180.0°
C16	C17	C19	C20	0.4°	0.1°
C17	C16	C15	H7	180.0°	179.9°
C17	C16	C15	C21	0.2°	0.1°
C17	C16	C15	C14	179.7°	179.8°
C16	C17	C19	H9	179.5°	180.0°
C19	C20	C21	H10	180.0°	180.0°
C19	C20	C21	C15	0.0°	0.0°
C20	C19	C17	H8	179.6°	180.0°
C19	C20	C21	H11	180.0°	179.7°
C16	C15	C21	C20	0.0°	0.0°
C16	C15	C21	C14	179.9°	179.8°
C16	C15	C14	N12	175.0°	89.7°
C16	C15	C14	H5	64.9°	150.3°
C16	C15	C14	H6	54.9°	30.3°
C15	C16	C17	H8	179.6°	180.0°
C16	C15	C21	H11	180.0°	179.7°
C20	C21	C15	H11	180.0°	179.7°
C20	C21	C15	C14	179.9°	179.7°
C21	C20	C19	H9	179.7°	179.9°
C21	C15	C14	N12	5.1°	90.0°
C21	C15	C14	H5	115.0°	29.9°
C21	C15	C14	H6	125.1°	150.0°
C21	C15	C16	H7	179.8°	179.9°
C15	C21	C20	H10	180.0°	180.0°
C15	C14	N12	H5	120.1°	120.0°
C15	C14	N12	H6	120.0°	120.0°
C15	C14	N12	C11	106.2°	180.0°
C15	C14	N12	H4	73.8°	0.0°
C15	C14	H5	H6	119.8°	120.0°
C14	C15	C16	H7	0.3°	0.3°
C14	C15	C21	H11	0.1°	0.0°
C14	N12	C11	O28	1.4°	0.1°
C14	N12	C11	H4	180.0°	179.9°
C14	N12	C11	C10	178.4°	180.0°
N12	C14	H5	H6	119.8°	120.0°
O28	C11	N12	C10	177.0°	179.9°
O28	C11	C10	C29	43.4°	180.0°
O28	C11	C10	C9	139.5°	0.1°
O28	C11	N12	H4	178.6°	180.0°
N12	C11	C10	C29	133.7°	0.1°
N12	C11	C10	C9	43.4°	180.0°
C11	N12	C14	H5	13.9°	60.0°
C11	N12	C14	H6	133.7°	60.0°
C11	C10	C29	C9	177.2°	179.9°
C11	C10	C29	C31	178.0°	180.0°
C11	C10	C9	O1	3.4°	0.1°
C11	C10	C9	C35	178.2°	179.7°
C10	C11	N12	H4	1.6°	0.1°
C11	C10	C29	H12	2.0°	0.1°
C10	C29	C31	H12	180.0°	180.0°
C10	C29	C31	C33	0.3°	0.0°
C29	C10	C9	O1	179.4°	180.0°
C29	C10	C9	C35	1.0°	0.2°
C10	C29	C31	H13	179.7°	180.0°
C31	C29	C10	C9	0.8°	0.0°
C29	C31	C33	H13	180.0°	179.9°
C29	C31	C33	C35	0.0°	0.2°
C29	C31	C33	F34	179.8°	180.0°
C10	C9	O1	C35	178.4°	179.8°
C10	C9	O1	C2	158.0°	179.8°
C10	C9	C35	C33	0.7°	0.4°
C9	C10	C29	H12	179.2°	180.0°
C10	C9	C35	H14	179.3°	179.8°
C31	C33	C35	C9	0.2°	0.4°
C31	C33	C35	F34	179.8°	179.8°
C33	C31	C29	H12	179.7°	180.0°
C31	C33	C35	H14	179.8°	179.8°
O4	C3	C2	O1	13.8°	0.0°
O4	C3	C2	O6	179.2°	180.0°
O4	C3	C2	H1	133.9°	120.0°
O4	C3	C2	H2	106.2°	120.0°
O4	C3	O6	H3	0.0°	0.0°
O1	C9	C35	C33	179.1°	179.8°
C9	O1	C2	C3	74.6°	180.0°
C9	O1	C2	H1	45.5°	60.0°
C9	O1	C2	H2	165.3°	60.0°
O1	C9	C35	H14	0.9°	0.1°
C35	C9	O1	C2	23.6°	0.0°
C9	C35	C33	H14	180.0°	179.8°
C9	C35	C33	F34	180.0°	179.8°
O1	C2	C3	H1	120.0°	120.0°
O1	C2	C3	H2	120.1°	120.0°
O1	C2	C3	O6	166.9°	180.0°
O1	C2	H1	H2	119.7°	120.0°
C35	C33	C31	H13	180.0°	179.7°
F34	C33	C31	H13	0.2°	0.1°
F34	C33	C35	H14	0.0°	0.1°
C3	C2	H1	H2	119.8°	120.0°
C2	C3	O6	H3	179.2°	180.0°
O6	C3	C2	H1	46.9°	60.0°
O6	C3	C2	H2	73.0°	60.0°
H4	N12	C14	H5	166.1°	120.1°
H4	N12	C14	H6	46.3°	120.0°
H7	C16	C17	H8	0.4°	0.1°
H8	C17	C19	H9	0.4°	0.1°
H9	C19	C20	H10	0.2°	0.1°
H10	C20	C21	H11	0.0°	0.3°
H12	C29	C31	H13	0.3°	0.1°

Release date:	2015-06-10
Definition date:	2014-05-01
Last modified:	2015-06-05
Release status:	REL
Processing site:	RCSB
Derived from:	4Q7B