6FV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.22Å	1.23Å
C2	N1	sing	1.34Å	1.38Å
C2	N2	sing	1.33Å	1.38Å
O3	C16	sing	1.36Å	1.36Å
C15	C16	doub	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
N1	C1	sing	1.35Å	1.37Å
N2	C3	doub	1.33Å	1.33Å
C16	C17	sing	1.39Å	1.39Å	Aromatic
C14	C13	doub	1.39Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.38Å	Aromatic
C1	O2	doub	1.22Å	1.23Å
C1	C4	sing	1.47Å	1.45Å
C3	C4	sing	1.47Å	1.43Å
C3	N3	sing	1.36Å	1.38Å
C13	C18	sing	1.39Å	1.38Å	Aromatic
C13	N3	sing	1.40Å	1.46Å
C4	C5	doub	1.38Å	1.39Å
N3	C6	sing	1.38Å	1.40Å
C5	C7	sing	1.42Å	1.40Å
C6	C7	sing	1.41Å	1.41Å	Aromatic
C6	C9	doub	1.39Å	1.39Å	Aromatic
C7	C8	doub	1.41Å	1.42Å	Aromatic
C9	C10	sing	1.39Å	1.38Å	Aromatic
C8	C11	sing	1.36Å	1.37Å	Aromatic
C10	C11	doub	1.40Å	1.39Å	Aromatic
C10	C12	sing	1.43Å	1.43Å
C12	N4	trip	1.14Å	1.14Å
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
O3	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	N1	117.6°	118.0°
O1	C2	N2	122.4°	117.9°
N1	C2	N2	119.9°	124.1°
C2	N1	C1	123.3°	121.1°
C2	N1	H1	118.4°	119.5°
C2	N2	C3	119.8°	121.5°
O3	C16	C15	119.3°	119.9°
O3	C16	C17	119.7°	120.0°
C16	O3	H11	109.5°	114.0°
C16	C15	C14	118.8°	120.0°
C15	C16	C17	120.9°	120.1°
C16	C15	H4	120.6°	120.0°
C15	C14	C13	120.0°	120.0°
C14	C15	H4	120.6°	120.0°
C15	C14	H9	120.0°	120.0°
N1	C1	O2	119.7°	121.5°
N1	C1	C4	116.2°	117.1°
C1	N1	H1	118.4°	119.4°
N2	C3	C4	122.4°	118.4°
N2	C3	N3	119.2°	121.9°
C16	C17	C18	119.8°	120.0°
C16	C17	H5	120.1°	120.0°
C14	C13	C18	120.9°	119.9°
C14	C13	N3	116.3°	120.0°
C13	C14	H9	120.0°	119.9°
C17	C18	C13	119.6°	120.0°
C18	C17	H5	120.1°	120.0°
C17	C18	H10	120.2°	120.0°
O2	C1	C4	124.0°	121.4°
C1	C4	C3	118.1°	117.7°
C1	C4	C5	120.4°	122.3°
C4	C3	N3	118.4°	119.7°
C3	C4	C5	121.5°	120.0°
C3	N3	C13	121.8°	119.8°
C3	N3	C6	120.1°	120.4°
C18	C13	N3	122.7°	120.0°
C13	C18	H10	120.2°	120.0°
C13	N3	C6	118.1°	119.8°
C4	C5	C7	119.5°	118.9°
C4	C5	H2	120.3°	120.6°
N3	C6	C7	121.3°	120.9°
N3	C6	C9	119.2°	119.7°
C5	C7	C6	118.9°	120.2°
C5	C7	C8	121.7°	119.9°
C7	C5	H2	120.3°	120.6°
C7	C6	C9	119.4°	119.4°
C6	C7	C8	119.4°	119.9°
C6	C9	C10	119.9°	119.8°
C6	C9	H7	120.1°	120.1°
C7	C8	C11	120.0°	120.1°
C7	C8	H3	120.0°	120.0°
C9	C10	C11	121.0°	120.3°
C9	C10	C12	119.4°	119.9°
C10	C9	H7	120.0°	120.0°
C8	C11	C10	120.1°	120.4°
C11	C8	H3	120.0°	120.0°
C8	C11	H8	120.0°	119.8°
C11	C10	C12	119.6°	119.8°
C10	C11	H8	120.0°	119.8°
C10	C12	N4	177.1°	179.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	N1	N2	177.4°	180.0°
O1	C2	N1	C1	179.5°	180.0°
O1	C2	N2	C3	176.5°	180.0°
O1	C2	N1	H1	0.5°	0.3°
C2	N1	C1	H1	180.0°	179.7°
N1	C2	N2	C3	6.2°	0.0°
C2	N1	C1	O2	179.7°	179.7°
C2	N1	C1	C4	1.8°	0.3°
N2	C2	N1	C1	3.1°	0.0°
C2	N2	C3	C4	4.4°	0.3°
C2	N2	C3	N3	176.0°	180.0°
N2	C2	N1	H1	176.9°	179.7°
O3	C16	C15	C17	176.8°	179.6°
O3	C16	C15	C14	179.4°	179.9°
O3	C16	C17	C18	178.3°	179.8°
O3	C16	C15	H4	0.6°	0.4°
O3	C16	C17	H5	1.7°	0.4°
C16	C15	C14	H4	180.0°	179.7°
C16	C15	C14	C13	1.2°	0.0°
C15	C16	C17	C18	1.5°	0.6°
C15	C16	C17	H5	178.5°	180.0°
C16	C15	C14	H9	178.8°	180.0°
C15	C16	O3	H11	180.0°	90.1°
C14	C15	C16	C17	2.6°	0.3°
C15	C14	C13	H9	180.0°	180.0°
C15	C14	C13	C18	1.2°	0.0°
C15	C14	C13	N3	176.8°	179.7°
N1	C1	O2	C4	178.4°	180.0°
N1	C1	C4	C3	3.5°	0.5°
N1	C1	C4	C5	176.9°	180.0°
N2	C3	C4	C1	0.5°	0.5°
N2	C3	C4	N3	179.6°	179.7°
N2	C3	N3	C13	4.0°	0.0°
N2	C3	C4	C5	179.9°	180.0°
N2	C3	N3	C6	176.5°	180.0°
C16	C17	C18	H5	180.0°	179.4°
C16	C17	C18	C13	1.0°	0.6°
C17	C16	C15	H4	177.4°	180.0°
C16	C17	C18	H10	179.0°	179.4°
C17	C16	O3	H11	3.1°	90.3°
C14	C13	C18	C17	2.3°	0.3°
C14	C13	N3	C3	98.8°	89.8°
C14	C13	C18	N3	175.3°	179.7°
C14	C13	N3	C6	80.7°	90.1°
C13	C14	C15	H4	178.8°	179.7°
C14	C13	C18	H10	177.7°	179.7°
C17	C18	C13	H10	180.0°	180.0°
C17	C18	C13	N3	177.6°	180.0°
O2	C1	C4	C3	178.0°	179.5°
O2	C1	C4	C5	1.6°	0.0°
O2	C1	N1	H1	0.3°	0.0°
C1	C4	C3	C5	179.6°	179.5°
C1	C4	C3	N3	179.1°	179.7°
C1	C4	C5	C7	176.2°	180.0°
C4	C1	N1	H1	178.2°	180.0°
C1	C4	C5	H2	3.8°	0.0°
C4	C3	N3	C13	175.6°	179.7°
C4	C3	N3	C6	3.9°	0.3°
C3	C4	C5	C7	4.2°	0.5°
C3	C4	C5	H2	175.8°	179.5°
C3	N3	C13	C18	85.7°	89.9°
C3	N3	C13	C6	179.5°	180.0°
N3	C3	C4	C5	0.5°	0.3°
C3	N3	C6	C7	2.7°	0.7°
C3	N3	C6	C9	175.0°	180.0°
C18	C13	N3	C6	94.8°	90.2°
C13	C18	C17	H5	179.0°	180.0°
C18	C13	C14	H9	178.8°	180.0°
C13	N3	C6	C7	176.8°	179.4°
C13	N3	C6	C9	5.4°	0.0°
N3	C13	C14	H9	3.2°	0.3°
N3	C13	C18	H10	2.4°	0.0°
C4	C5	C7	H2	180.0°	180.0°
C4	C5	C7	C6	5.4°	0.9°
C4	C5	C7	C8	175.6°	180.0°
N3	C6	C7	C5	2.0°	1.0°
N3	C6	C7	C9	177.7°	179.4°
N3	C6	C7	C8	178.9°	179.9°
N3	C6	C9	C10	175.9°	180.0°
N3	C6	C9	H7	4.1°	0.0°
C5	C7	C6	C8	179.1°	179.1°
C5	C7	C6	C9	179.7°	179.7°
C5	C7	C8	C11	177.7°	180.0°
C5	C7	C8	H3	2.3°	0.0°
C7	C6	C9	C10	1.9°	0.6°
C6	C7	C8	C11	3.2°	0.9°
C6	C7	C5	H2	174.6°	179.1°
C6	C7	C8	H3	176.8°	179.1°
C7	C6	C9	H7	178.1°	179.4°
C9	C6	C7	C8	1.1°	0.6°
C6	C9	C10	H7	180.0°	179.9°
C6	C9	C10	C11	2.9°	0.9°
C6	C9	C10	C12	177.7°	179.6°
C7	C8	C11	H3	180.0°	180.0°
C7	C8	C11	C10	2.2°	1.2°
C8	C7	C5	H2	4.5°	0.0°
C7	C8	C11	H8	177.8°	180.0°
C9	C10	C11	C8	0.9°	1.2°
C9	C10	C11	C12	179.4°	178.7°
C9	C10	C12	N4	91.3°	39.6°
C9	C10	C11	H8	179.1°	180.0°
C8	C11	C10	H8	180.0°	178.8°
C8	C11	C10	C12	179.8°	180.0°
C11	C10	C12	N4	89.4°	141.6°
C10	C11	C8	H3	177.8°	178.7°
C11	C10	C9	H7	177.0°	179.0°
C12	C10	C9	H7	2.3°	0.3°
C12	C10	C11	H8	0.2°	1.2°
H3	C8	C11	H8	2.2°	0.1°
H4	C15	C14	H9	1.2°	0.3°
H5	C17	C18	H10	1.0°	0.1°

Release date:	2016-05-04
Definition date:	2016-04-01
Last modified:	2016-04-29
Release status:	REL
Processing site:	EBI
Derived from:	5J42