5BL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O27	C26	doub	1.21Å	1.34Å
O28	C26	sing	1.35Å	1.23Å
C26	C24	sing	1.48Å	1.52Å
C24	C23	doub	1.40Å	1.41Å	Aromatic
C24	N25	sing	1.32Å	1.36Å	Aromatic
C23	C22	sing	1.36Å	1.41Å	Aromatic
N25	C20	doub	1.33Å	1.37Å	Aromatic
C22	C21	doub	1.41Å	1.41Å	Aromatic
C20	C21	sing	1.42Å	1.42Å	Aromatic
C20	C6	sing	1.46Å	1.42Å	Aromatic
C12	C13	doub	1.36Å	1.41Å	Aromatic
C12	C11	sing	1.39Å	1.40Å	Aromatic
C21	C9	sing	1.40Å	1.41Å	Aromatic
C13	C15	sing	1.41Å	1.42Å	Aromatic
C11	C10	doub	1.39Å	1.42Å	Aromatic
C10	C14	sing	1.42Å	1.42Å	Aromatic
C10	C6	sing	1.48Å	1.49Å
C15	C14	doub	1.42Å	1.42Å	Aromatic
C15	C16	sing	1.41Å	1.41Å	Aromatic
C14	C19	sing	1.40Å	1.42Å	Aromatic
C6	C7	doub	1.38Å	1.40Å	Aromatic
C16	C17	doub	1.36Å	1.41Å	Aromatic
C19	C18	doub	1.36Å	1.41Å	Aromatic
C17	C18	sing	1.39Å	1.40Å	Aromatic
C9	C8	doub	1.38Å	1.41Å	Aromatic
C7	C8	sing	1.40Å	1.40Å	Aromatic
C8	C3	sing	1.48Å	1.52Å
C3	N4	sing	1.37Å	1.31Å	Aromatic
C3	C2	doub	1.36Å	1.34Å	Aromatic
N4	C5	sing	1.36Å	1.30Å	Aromatic
C2	C1	sing	1.40Å	1.47Å	Aromatic
C5	C1	doub	1.35Å	1.33Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C22	H10	sing	1.08Å	1.08Å
C23	H11	sing	1.08Å	1.08Å
N4	H12	sing	0.97Å	1.00Å
C5	H13	sing	1.08Å	1.08Å
C7	H14	sing	1.08Å	1.08Å
C9	H15	sing	1.08Å	1.08Å
O28	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O27	C26	O28	120.7°	120.0°
O27	C26	C24	118.8°	120.0°
O28	C26	C24	120.5°	120.0°
C26	O28	H16	109.5°	117.0°
C26	C24	C23	121.5°	119.3°
C26	C24	N25	119.2°	119.3°
C23	C24	N25	119.2°	121.5°
C24	C23	C22	120.0°	119.8°
C24	C23	H11	120.0°	120.1°
C24	N25	C20	122.4°	121.3°
C23	C22	C21	119.8°	118.3°
C23	C22	H10	120.1°	120.8°
C22	C23	H11	120.0°	120.1°
N25	C20	C21	120.3°	120.2°
N25	C20	C6	120.6°	120.9°
C22	C21	C20	118.2°	119.0°
C22	C21	C9	121.5°	121.2°
C21	C22	H10	120.1°	120.9°
C21	C20	C6	119.0°	118.9°
C20	C21	C9	120.2°	119.8°
C20	C6	C10	123.3°	120.5°
C20	C6	C7	119.6°	119.1°
C13	C12	C11	119.0°	121.1°
C12	C13	C15	121.3°	120.1°
C13	C12	H4	120.5°	119.5°
C12	C13	H5	119.4°	119.9°
C12	C11	C10	120.6°	120.7°
C12	C11	H3	119.7°	119.7°
C11	C12	H4	120.5°	119.4°
C21	C9	C8	120.5°	120.4°
C21	C9	H15	119.7°	119.8°
C13	C15	C14	120.0°	119.5°
C13	C15	C16	120.0°	121.2°
C15	C13	H5	119.4°	119.9°
C11	C10	C14	120.7°	119.3°
C11	C10	C6	116.5°	120.3°
C10	C11	H3	119.7°	119.7°
C14	C10	C6	122.7°	120.4°
C10	C14	C15	118.3°	119.2°
C10	C14	C19	123.1°	121.3°
C10	C6	C7	117.0°	120.5°
C14	C15	C16	119.9°	119.3°
C15	C14	C19	118.5°	119.5°
C15	C16	C17	120.5°	119.7°
C15	C16	H6	119.8°	120.2°
C14	C19	C18	121.4°	119.7°
C14	C19	H9	119.3°	120.1°
C6	C7	C8	122.0°	120.6°
C6	C7	H14	119.0°	119.7°
C16	C17	C18	120.0°	120.9°
C17	C16	H6	119.8°	120.1°
C16	C17	H7	120.0°	119.5°
C19	C18	C17	119.6°	121.0°
C19	C18	H8	120.2°	119.5°
C18	C19	H9	119.3°	120.2°
C18	C17	H7	120.0°	119.5°
C17	C18	H8	120.2°	119.5°
C9	C8	C7	118.7°	121.2°
C9	C8	C3	123.4°	119.4°
C8	C9	H15	119.8°	119.8°
C7	C8	C3	118.0°	119.4°
C8	C7	H14	119.0°	119.7°
C8	C3	N4	126.3°	126.1°
C8	C3	C2	126.5°	126.1°
N4	C3	C2	107.2°	107.8°
C3	N4	C5	114.2°	108.6°
C3	N4	H12	122.9°	125.6°
C3	C2	C1	105.4°	107.3°
C3	C2	H2	127.3°	126.3°
N4	C5	C1	107.4°	108.5°
C5	N4	H12	122.9°	125.7°
N4	C5	H13	126.3°	125.7°
C2	C1	C5	105.7°	107.7°
C2	C1	H1	127.1°	126.1°
C1	C2	H2	127.3°	126.4°
C5	C1	H1	127.1°	126.2°
C1	C5	H13	126.3°	125.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O27	C26	O28	C24	179.3°	180.0°
O27	C26	C24	C23	142.3°	0.0°
O27	C26	C24	N25	39.2°	179.7°
O27	C26	O28	H16	0.0°	0.0°
O28	C26	C24	C23	38.4°	180.0°
O28	C26	C24	N25	140.1°	0.3°
C26	C24	C23	N25	178.5°	179.8°
C26	C24	C23	C22	177.4°	180.0°
C26	C24	N25	C20	178.3°	179.7°
C26	C24	C23	H11	2.7°	0.0°
C24	C26	O28	H16	179.2°	180.0°
C24	C23	C22	H11	180.0°	180.0°
C23	C24	N25	C20	0.3°	0.5°
C24	C23	C22	C21	1.3°	0.0°
C24	C23	C22	H10	178.7°	180.0°
N25	C24	C23	C22	1.1°	0.3°
C24	N25	C20	C21	0.4°	0.5°
C24	N25	C20	C6	178.8°	179.8°
N25	C24	C23	H11	178.8°	179.8°
C23	C22	C21	H10	180.0°	180.0°
C23	C22	C21	C20	0.7°	0.1°
C23	C22	C21	C9	179.2°	180.0°
N25	C20	C21	C22	0.2°	0.2°
N25	C20	C21	C6	178.4°	179.7°
N25	C20	C21	C9	178.4°	179.7°
N25	C20	C6	C10	1.0°	0.3°
N25	C20	C6	C7	177.6°	179.7°
C22	C21	C20	C9	178.6°	179.9°
C22	C21	C20	C6	178.6°	179.9°
C22	C21	C9	C8	178.8°	179.9°
C21	C22	C23	H11	178.6°	179.9°
C22	C21	C9	H15	1.2°	0.0°
C21	C20	C6	C10	177.4°	180.0°
C21	C20	C6	C7	0.9°	0.0°
C20	C21	C9	C8	0.3°	0.0°
C20	C21	C22	H10	179.3°	180.0°
C20	C21	C9	H15	179.7°	180.0°
C6	C20	C21	C9	0.0°	0.0°
C20	C6	C10	C11	119.3°	115.0°
C20	C6	C10	C14	65.2°	64.7°
C20	C6	C10	C7	176.6°	179.9°
C20	C6	C7	C8	2.0°	0.0°
C20	C6	C7	H14	178.0°	180.0°
C13	C12	C11	H4	180.0°	180.0°
C12	C13	C15	H5	180.0°	179.9°
C13	C12	C11	C10	4.1°	0.0°
C12	C13	C15	C14	1.2°	0.1°
C12	C13	C15	C16	179.4°	179.9°
C13	C12	C11	H3	175.9°	179.7°
C11	C12	C13	C15	1.5°	0.0°
C12	C11	C10	H3	180.0°	179.7°
C12	C11	C10	C14	4.1°	0.0°
C12	C11	C10	C6	179.7°	179.7°
C11	C12	C13	H5	178.5°	179.9°
C21	C9	C8	H15	180.0°	180.0°
C21	C9	C8	C7	1.4°	0.0°
C21	C9	C8	C3	177.9°	180.0°
C9	C21	C22	H10	0.7°	0.0°
C13	C15	C14	C10	1.3°	0.1°
C13	C15	C14	C16	178.2°	180.0°
C13	C15	C14	C19	179.4°	180.0°
C13	C15	C16	C17	179.1°	180.0°
C15	C13	C12	H4	178.5°	180.0°
C13	C15	C16	H6	0.9°	0.1°
C11	C10	C14	C6	175.3°	179.7°
C11	C10	C14	C15	1.4°	0.0°
C11	C10	C14	C19	176.7°	180.0°
C11	C10	C6	C7	64.1°	65.0°
C10	C11	C12	H4	175.9°	180.0°
C10	C14	C15	C19	178.1°	179.9°
C10	C14	C15	C16	179.5°	179.9°
C14	C10	C6	C7	111.4°	115.3°
C10	C14	C19	C18	179.1°	179.9°
C14	C10	C11	H3	175.9°	179.7°
C10	C14	C19	H9	0.9°	0.0°
C6	C10	C14	C15	176.7°	179.7°
C6	C10	C14	C19	1.4°	0.3°
C10	C6	C7	C8	178.8°	180.0°
C6	C10	C11	H3	0.3°	0.0°
C10	C6	C7	H14	1.2°	0.1°
C14	C15	C16	C17	2.7°	0.0°
C15	C14	C19	C18	1.0°	0.0°
C14	C15	C13	H5	178.8°	180.0°
C14	C15	C16	H6	177.3°	180.0°
C15	C14	C19	H9	178.9°	180.0°
C16	C15	C14	C19	2.4°	0.0°
C15	C16	C17	H6	180.0°	180.0°
C15	C16	C17	C18	1.6°	0.1°
C16	C15	C13	H5	0.6°	0.0°
C15	C16	C17	H7	178.4°	179.9°
C14	C19	C18	H9	180.0°	180.0°
C14	C19	C18	C17	0.0°	0.0°
C14	C19	C18	H8	180.0°	180.0°
C6	C7	C8	C9	2.3°	0.0°
C6	C7	C8	H14	180.0°	179.9°
C6	C7	C8	C3	177.0°	180.0°
C16	C17	C18	C19	0.2°	0.1°
C16	C17	C18	H7	180.0°	179.9°
C16	C17	C18	H8	179.7°	180.0°
C19	C18	C17	H8	180.0°	180.0°
C19	C18	C17	H7	179.8°	179.9°
C18	C17	C16	H6	178.4°	179.9°
C17	C18	C19	H9	180.0°	180.0°
C9	C8	C7	C3	179.3°	180.0°
C9	C8	C3	N4	155.1°	0.1°
C9	C8	C3	C2	26.3°	179.7°
C9	C8	C7	H14	177.7°	180.0°
C7	C8	C3	N4	24.2°	180.0°
C7	C8	C3	C2	154.4°	0.3°
C7	C8	C9	H15	178.6°	180.0°
C8	C3	N4	C2	178.8°	179.8°
C8	C3	N4	C5	179.0°	180.0°
C8	C3	C2	C1	179.4°	179.8°
C8	C3	C2	H2	0.6°	0.2°
C8	C3	N4	H12	1.0°	0.2°
C3	C8	C7	H14	3.0°	0.0°
C3	C8	C9	H15	2.1°	0.0°
C3	N4	C5	H12	180.0°	179.8°
N4	C3	C2	C1	0.6°	0.0°
C3	N4	C5	C1	0.3°	0.3°
N4	C3	C2	H2	179.4°	180.0°
C3	N4	C5	H13	179.7°	180.0°
C2	C3	N4	C5	0.2°	0.2°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	C5	0.8°	0.2°
C3	C2	C1	H1	179.2°	179.9°
C2	C3	N4	H12	179.8°	180.0°
N4	C5	C1	C2	0.7°	0.3°
N4	C5	C1	H13	180.0°	179.7°
N4	C5	C1	H1	179.3°	179.8°
C2	C1	C5	H1	180.0°	179.9°
C2	C1	C5	H13	179.3°	180.0°
C5	C1	C2	H2	179.2°	179.8°
C1	C5	N4	H12	179.7°	179.8°
H1	C1	C2	H2	0.8°	0.1°
H1	C1	C5	H13	0.7°	0.1°
H3	C11	C12	H4	4.1°	0.3°
H4	C12	C13	H5	1.5°	0.1°
H6	C16	C17	H7	1.6°	0.0°
H7	C17	C18	H8	0.2°	0.1°
H8	C18	C19	H9	0.0°	0.0°
H10	C22	C23	H11	1.4°	0.0°
H12	N4	C5	H13	0.3°	0.2°

Release date:	2015-10-07
Definition date:	2015-09-02
Last modified:	2015-10-02
Release status:	REL
Processing site:	EBI
Derived from:	5DJV