LZ8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C2	sing	1.35Å	1.35Å
C2	C3	sing	1.38Å	1.38Å	Aromatic
C2	C26	doub	1.38Å	1.38Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.39Å	1.40Å	Aromatic
C5	N6	sing	1.40Å	1.41Å
C5	C25	doub	1.39Å	1.40Å	Aromatic
N6	C7	sing	1.35Å	1.34Å
C7	O8	doub	1.22Å	1.23Å
C7	C9	sing	1.47Å	1.48Å
C9	N10	doub	1.32Å	1.33Å	Aromatic
C9	C13	sing	1.42Å	1.40Å	Aromatic
N10	N11	sing	1.28Å	1.36Å	Aromatic
N11	C12	sing	1.36Å	1.33Å	Aromatic
C12	C13	doub	1.36Å	1.38Å	Aromatic
C13	N14	sing	1.40Å	1.38Å
N14	C15	sing	1.35Å	1.35Å
C15	O16	doub	1.21Å	1.23Å
C15	C17	sing	1.48Å	1.50Å
C17	C18	sing	1.40Å	1.39Å	Aromatic
C17	C23	doub	1.40Å	1.39Å	Aromatic
C18	C20	doub	1.38Å	1.38Å	Aromatic
C20	C21	sing	1.38Å	1.38Å	Aromatic
C21	C22	doub	1.38Å	1.38Å	Aromatic
C22	C23	sing	1.38Å	1.38Å	Aromatic
C25	C26	sing	1.38Å	1.38Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
N6	H6	sing	0.97Å	1.00Å
C25	H25	sing	1.08Å	1.08Å
N11	H11	sing	0.97Å	1.00Å
N14	H14	sing	0.97Å	1.00Å
C12	H12	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C2	C3	119.3°	120.0°
F1	C2	C26	118.9°	119.9°
C3	C2	C26	121.8°	120.1°
C2	C3	C4	119.1°	120.1°
C2	C3	H3	120.5°	120.0°
C2	C26	C25	119.2°	120.0°
C2	C26	H26	120.4°	120.0°
C3	C4	C5	120.1°	119.9°
C4	C3	H3	120.5°	120.0°
C3	C4	H4	119.9°	120.0°
C4	C5	N6	120.4°	120.0°
C4	C5	C25	119.5°	119.9°
C5	C4	H4	119.9°	120.0°
N6	C5	C25	120.1°	120.1°
C5	N6	C7	123.9°	120.0°
C5	N6	H6	118.0°	120.0°
C5	C25	C26	120.3°	120.0°
C5	C25	H25	119.8°	120.1°
N6	C7	O8	122.1°	120.0°
N6	C7	C9	116.5°	120.0°
C7	N6	H6	118.0°	120.0°
O8	C7	C9	121.4°	120.0°
C7	C9	N10	120.3°	126.5°
C7	C9	C13	129.6°	126.5°
N10	C9	C13	110.1°	107.0°
C9	N10	N11	105.7°	110.3°
C9	C13	C12	105.4°	105.5°
C9	C13	N14	124.7°	127.3°
N10	N11	C12	112.1°	110.2°
N10	N11	H11	123.9°	124.9°
N11	C12	C13	106.7°	107.0°
C12	N11	H11	124.0°	124.9°
N11	C12	H12	126.6°	126.5°
C12	C13	N14	129.9°	127.3°
C13	C12	H12	126.6°	126.5°
C13	N14	C15	126.8°	120.0°
C13	N14	H14	116.6°	120.0°
N14	C15	O16	123.0°	120.0°
N14	C15	C17	115.7°	120.0°
C15	N14	H14	116.6°	120.0°
O16	C15	C17	121.4°	120.1°
C15	C17	C18	120.5°	120.1°
C15	C17	C23	120.4°	120.2°
C18	C17	C23	119.1°	119.7°
C17	C18	C20	120.3°	119.8°
C17	C18	H18	119.8°	120.1°
C17	C23	C22	120.4°	119.8°
C17	C23	H23	119.8°	120.1°
C18	C20	C21	120.1°	120.2°
C20	C18	H18	119.9°	120.1°
C18	C20	H20	119.9°	119.9°
C20	C21	C22	120.0°	120.3°
C21	C20	H20	120.0°	119.9°
C20	C21	H21	120.0°	119.8°
C21	C22	C23	120.0°	120.2°
C22	C21	H21	120.0°	119.9°
C21	C22	H22	120.0°	119.9°
C22	C23	H23	119.8°	120.1°
C23	C22	H22	120.0°	119.9°
C25	C26	H26	120.4°	120.0°
C26	C25	H25	119.9°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C2	C3	C26	179.4°	179.8°
F1	C2	C3	C4	179.3°	180.0°
F1	C2	C26	C25	178.9°	179.7°
F1	C2	C3	H3	0.7°	0.0°
F1	C2	C26	H26	1.1°	0.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C3	C2	C26	C25	0.5°	0.5°
C3	C2	C26	H26	179.5°	179.7°
C2	C3	C4	H4	179.4°	180.0°
C26	C2	C3	C4	0.0°	0.3°
C2	C26	C25	C5	0.3°	0.5°
C2	C26	C25	H26	180.0°	179.7°
C26	C2	C3	H3	180.0°	179.8°
C2	C26	C25	H25	179.7°	179.7°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	N6	179.6°	180.0°
C3	C4	C5	C25	0.8°	0.0°
C4	C5	N6	C25	178.7°	180.0°
C4	C5	N6	C7	45.6°	35.0°
C4	C5	C25	C26	0.3°	0.2°
C5	C4	C3	H3	179.4°	180.0°
C4	C5	N6	H6	134.5°	144.9°
C4	C5	C25	H25	179.7°	179.9°
C5	N6	C7	H6	180.0°	180.0°
C5	N6	C7	O8	1.3°	4.6°
C5	N6	C7	C9	178.5°	175.4°
N6	C5	C25	C26	179.1°	179.8°
N6	C5	C4	H4	0.5°	0.0°
N6	C5	C25	H25	0.9°	0.1°
C25	C5	N6	C7	133.2°	145.0°
C5	C25	C26	H25	180.0°	179.8°
C5	C25	C26	H26	179.7°	179.8°
C25	C5	C4	H4	179.2°	180.0°
C25	C5	N6	H6	46.8°	35.1°
N6	C7	O8	C9	179.8°	180.0°
N6	C7	C9	N10	7.6°	0.0°
N6	C7	C9	C13	172.5°	179.7°
O8	C7	C9	N10	172.6°	179.9°
O8	C7	C9	C13	7.3°	0.3°
O8	C7	N6	H6	178.6°	175.4°
C7	C9	N10	C13	179.9°	179.7°
C7	C9	N10	N11	179.8°	180.0°
C7	C9	C13	C12	179.9°	179.9°
C7	C9	C13	N14	0.0°	0.0°
C9	C7	N6	H6	1.6°	4.6°
C9	N10	N11	C12	0.4°	0.1°
N10	C9	C13	C12	0.2°	0.4°
N10	C9	C13	N14	179.9°	179.7°
C9	N10	N11	H11	179.6°	180.0°
C13	C9	N10	N11	0.4°	0.3°
C9	C13	C12	N11	0.0°	0.4°
C9	C13	C12	N14	179.9°	179.9°
C9	C13	N14	C15	176.3°	180.0°
C9	C13	N14	H14	3.7°	0.0°
C9	C13	C12	H12	180.0°	179.8°
N10	N11	C12	H11	180.0°	179.9°
N10	N11	C12	C13	0.2°	0.2°
N10	N11	C12	H12	179.8°	180.0°
N11	C12	C13	H12	180.0°	179.8°
N11	C12	C13	N14	179.9°	179.7°
C12	C13	N14	C15	3.8°	0.1°
C13	C12	N11	H11	179.8°	179.7°
C12	C13	N14	H14	176.2°	179.9°
C13	N14	C15	H14	180.0°	180.0°
C13	N14	C15	O16	0.8°	0.1°
C13	N14	C15	C17	179.8°	180.0°
N14	C13	C12	H12	0.1°	0.1°
N14	C15	O16	C17	179.3°	179.9°
N14	C15	C17	C18	137.3°	180.0°
N14	C15	C17	C23	41.8°	0.2°
O16	C15	C17	C18	42.1°	0.1°
O16	C15	C17	C23	138.8°	179.7°
O16	C15	N14	H14	179.2°	180.0°
C15	C17	C18	C23	179.1°	179.8°
C15	C17	C18	C20	179.3°	180.0°
C15	C17	C23	C22	179.4°	179.7°
C17	C15	N14	H14	0.2°	0.0°
C15	C17	C18	H18	0.7°	0.0°
C15	C17	C23	H23	0.6°	0.1°
C17	C18	C20	H18	180.0°	179.9°
C17	C18	C20	C21	0.1°	0.0°
C18	C17	C23	C22	0.3°	0.6°
C18	C17	C23	H23	179.7°	179.7°
C17	C18	C20	H20	179.9°	180.0°
C23	C17	C18	C20	0.2°	0.3°
C17	C23	C22	C21	0.1°	0.6°
C17	C23	C22	H23	180.0°	179.8°
C23	C17	C18	H18	179.8°	179.8°
C17	C23	C22	H22	179.9°	179.7°
C18	C20	C21	H20	180.0°	180.0°
C18	C20	C21	C22	0.3°	0.0°
C18	C20	C21	H21	179.7°	180.0°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C23	0.2°	0.3°
C21	C20	C18	H18	179.9°	179.9°
C20	C21	C22	H22	179.8°	180.0°
C21	C22	C23	H22	180.0°	179.7°
C21	C22	C23	H23	179.9°	179.7°
C22	C21	C20	H20	179.7°	180.0°
C23	C22	C21	H21	179.8°	179.7°
H3	C3	C4	H4	0.6°	0.0°
H26	C26	C25	H25	0.3°	0.0°
H11	N11	C12	H12	0.2°	0.1°
H18	C18	C20	H20	0.1°	0.1°
H23	C23	C22	H22	0.1°	0.0°
H20	C20	C21	H21	0.3°	0.0°
H21	C21	C22	H22	0.2°	0.0°

Definition date:	2008-05-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2VTO