EFU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N12	N11	sing	1.40Å	1.40Å	Aromatic
N12	C13	doub	1.30Å	1.31Å	Aromatic
N11	C10	sing	1.37Å	1.36Å	Aromatic
C13	C14	sing	1.51Å	1.51Å
C13	C9	sing	1.46Å	1.46Å	Aromatic
C10	C3	doub	1.39Å	1.40Å	Aromatic
C10	C9	sing	1.41Å	1.43Å	Aromatic
C14	C15	sing	1.51Å	1.51Å
C27	C24	doub	1.38Å	1.39Å	Aromatic
C27	C25	sing	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C9	C4	doub	1.39Å	1.40Å	Aromatic
C24	C23	sing	1.38Å	1.40Å	Aromatic
C25	C26	doub	1.38Å	1.39Å	Aromatic
C20	C15	doub	1.38Å	1.39Å	Aromatic
C20	C18	sing	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C2	O5	sing	1.36Å	1.35Å
C2	C1	doub	1.41Å	1.42Å	Aromatic
C4	C1	sing	1.39Å	1.41Å	Aromatic
C29	C18	sing	1.51Å	1.49Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
C23	C22	sing	1.51Å	1.51Å
C23	C28	doub	1.38Å	1.40Å	Aromatic
C16	C19	doub	1.38Å	1.40Å	Aromatic
C1	C6	sing	1.47Å	1.49Å
C26	C28	sing	1.38Å	1.39Å	Aromatic
C22	N7	sing	1.46Å	1.48Å
C17	C19	sing	1.38Å	1.39Å	Aromatic
C6	N7	sing	1.35Å	1.37Å
C6	O8	doub	1.22Å	1.23Å
N7	C21	sing	1.47Å	1.47Å
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
O5	H3	sing	0.97Å	0.95Å
N11	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	1.09Å	1.10Å
C21	H12	sing	1.09Å	1.10Å
C21	H13	sing	1.09Å	1.10Å
C22	H14	sing	1.09Å	1.10Å
C22	H15	sing	1.09Å	1.10Å
C24	H16	sing	1.08Å	1.08Å
C25	H17	sing	1.08Å	1.08Å
C26	H18	sing	1.08Å	1.08Å
C27	H19	sing	1.08Å	1.08Å
C28	H20	sing	1.08Å	1.08Å
C29	H21	sing	1.09Å	1.10Å
C29	H22	sing	1.09Å	1.10Å
C29	H23	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N11	N12	C13	110.7°	110.2°
N12	N11	C10	109.0°	109.2°
N12	N11	H4	125.5°	125.4°
N12	C13	C14	125.0°	126.2°
N12	C13	C9	107.4°	107.7°
N11	C10	C3	132.7°	133.5°
N11	C10	C9	106.9°	106.7°
C10	N11	H4	125.5°	125.4°
C14	C13	C9	127.0°	126.1°
C13	C14	C15	116.8°	109.4°
C13	C14	H5	107.6°	109.5°
C13	C14	H6	107.6°	109.5°
C13	C9	C10	105.8°	106.2°
C13	C9	C4	134.0°	133.7°
C3	C10	C9	120.3°	119.8°
C10	C3	C2	119.3°	120.0°
C10	C3	H1	120.4°	120.0°
C10	C9	C4	120.2°	120.1°
C14	C15	C20	119.9°	120.0°
C14	C15	C16	120.1°	120.0°
C15	C14	H5	107.6°	109.5°
C15	C14	H6	107.6°	109.5°
C24	C27	C25	119.4°	120.0°
C27	C24	C23	120.7°	120.0°
C27	C24	H16	119.6°	120.0°
C24	C27	H19	120.3°	120.0°
C27	C25	C26	119.9°	120.0°
C27	C25	H17	120.0°	120.0°
C25	C27	H19	120.3°	120.0°
C3	C2	O5	118.4°	119.8°
C3	C2	C1	121.2°	120.4°
C2	C3	H1	120.4°	120.0°
C9	C4	C1	118.9°	119.6°
C9	C4	H2	120.6°	120.2°
C24	C23	C22	117.3°	120.0°
C24	C23	C28	119.9°	120.0°
C23	C24	H16	119.6°	120.0°
C25	C26	C28	120.8°	120.0°
C26	C25	H17	120.1°	120.0°
C25	C26	H18	119.6°	120.0°
C15	C20	C18	119.2°	120.0°
C20	C15	C16	119.8°	120.0°
C15	C20	H10	120.4°	120.0°
C20	C18	C29	119.0°	120.0°
C20	C18	C17	121.6°	120.0°
C18	C20	H10	120.4°	120.0°
C15	C16	C19	120.4°	120.0°
C15	C16	H7	119.8°	120.0°
O5	C2	C1	120.2°	119.8°
C2	O5	H3	109.5°	114.0°
C2	C1	C4	120.0°	120.1°
C2	C1	C6	120.8°	120.0°
C4	C1	C6	119.2°	120.0°
C1	C4	H2	120.6°	120.2°
C29	C18	C17	119.4°	120.0°
C18	C29	H21	109.5°	109.5°
C18	C29	H22	109.5°	109.5°
C18	C29	H23	109.5°	109.4°
C18	C17	C19	118.9°	120.0°
C18	C17	H8	120.5°	120.0°
C22	C23	C28	122.8°	120.0°
C23	C22	N7	117.9°	109.5°
C23	C22	H14	107.3°	109.4°
C23	C22	H15	107.3°	109.4°
C23	C28	C26	119.2°	120.0°
C23	C28	H20	120.4°	120.0°
C16	C19	C17	120.1°	120.0°
C19	C16	H7	119.8°	120.0°
C16	C19	H9	119.9°	120.0°
C1	C6	N7	122.4°	120.0°
C1	C6	O8	117.6°	120.0°
C28	C26	H18	119.6°	120.0°
C26	C28	H20	120.4°	120.0°
C22	N7	C6	124.3°	120.0°
C22	N7	C21	115.9°	120.1°
N7	C22	H14	107.3°	109.5°
N7	C22	H15	107.3°	109.6°
C19	C17	H8	120.6°	120.0°
C17	C19	H9	120.0°	120.0°
N7	C6	O8	120.0°	120.0°
C6	N7	C21	119.7°	120.0°
N7	C21	H11	109.5°	109.5°
N7	C21	H12	109.5°	109.4°
N7	C21	H13	109.5°	109.5°
H5	C14	H6	109.5°	109.5°
H11	C21	H12	109.5°	109.5°
H11	C21	H13	109.4°	109.6°
H12	C21	H13	109.5°	109.5°
H14	C22	H15	109.5°	109.4°
H21	C29	H22	109.5°	109.4°
H21	C29	H23	109.5°	109.5°
H22	C29	H23	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N12	N11	C10	H4	180.0°	180.0°
N11	N12	C13	C14	175.5°	180.0°
N11	N12	C13	C9	4.2°	0.5°
N12	N11	C10	C3	177.1°	180.0°
N12	N11	C10	C9	0.9°	0.3°
C13	N12	N11	C10	3.3°	0.5°
N12	C13	C14	C9	169.6°	179.4°
N12	C13	C9	C10	3.5°	0.3°
N12	C13	C14	C15	122.5°	90.0°
N12	C13	C9	C4	178.7°	179.6°
C13	N12	N11	H4	176.7°	179.5°
N12	C13	C14	H5	116.5°	150.0°
N12	C13	C14	H6	1.4°	30.0°
N11	C10	C9	C13	1.5°	0.0°
N11	C10	C3	C9	177.7°	179.6°
N11	C10	C3	C2	175.7°	180.0°
N11	C10	C9	C4	179.7°	179.9°
N11	C10	C3	H1	4.3°	0.1°
C14	C13	C9	C10	174.6°	179.8°
C13	C14	C15	H5	121.0°	120.0°
C13	C14	C15	H6	121.1°	120.0°
C14	C13	C9	C4	7.5°	0.1°
C13	C14	C15	C20	75.2°	90.3°
C13	C14	C15	C16	110.5°	90.1°
C13	C14	H5	H6	116.6°	120.0°
C13	C9	C10	C3	179.8°	179.7°
C13	C9	C10	C4	178.2°	179.9°
C9	C13	C14	C15	67.9°	90.6°
C13	C9	C4	C1	178.9°	180.0°
C13	C9	C4	H2	1.1°	0.1°
C9	C13	C14	H5	53.1°	29.4°
C9	C13	C14	H6	171.0°	149.4°
C10	C3	C2	H1	180.0°	180.0°
C3	C10	C9	C4	2.0°	0.3°
C10	C3	C2	O5	178.9°	179.9°
C10	C3	C2	C1	4.6°	0.0°
C3	C10	N11	H4	3.0°	0.1°
C9	C10	C3	C2	2.0°	0.3°
C10	C9	C4	C1	3.5°	0.1°
C9	C10	C3	H1	178.0°	179.7°
C10	C9	C4	H2	176.5°	180.0°
C9	C10	N11	H4	179.1°	179.7°
C14	C15	C20	C16	174.4°	179.6°
C14	C15	C20	C18	175.4°	180.0°
C14	C15	C16	C19	174.7°	180.0°
C15	C14	H5	H6	116.7°	120.0°
C14	C15	C16	H7	5.4°	0.1°
C14	C15	C20	H10	4.6°	0.0°
C24	C27	C25	H19	180.0°	180.0°
C27	C24	C23	H16	180.0°	179.9°
C24	C27	C25	C26	0.9°	0.2°
C27	C24	C23	C22	179.4°	180.0°
C27	C24	C23	C28	0.3°	0.4°
C24	C27	C25	H17	179.1°	180.0°
C25	C27	C24	C23	0.6°	0.1°
C27	C25	C26	H17	180.0°	179.8°
C27	C25	C26	C28	0.9°	0.2°
C25	C27	C24	H16	179.4°	180.0°
C27	C25	C26	H18	179.1°	179.7°
C3	C2	O5	C1	174.4°	180.0°
C3	C2	C1	C4	3.1°	0.2°
C3	C2	C1	C6	178.2°	180.0°
C3	C2	O5	H3	180.0°	90.0°
C9	C4	C1	C2	1.0°	0.2°
C9	C4	C1	H2	180.0°	179.9°
C9	C4	C1	C6	177.7°	180.0°
C24	C23	C22	C28	179.7°	179.6°
C24	C23	C28	C26	0.3°	0.3°
C24	C23	C22	N7	149.5°	89.7°
C24	C23	C22	H14	28.3°	150.3°
C24	C23	C22	H15	89.3°	30.4°
C23	C24	C27	H19	179.4°	179.9°
C24	C23	C28	H20	179.7°	179.6°
C25	C26	C28	C23	0.6°	0.0°
C25	C26	C28	H18	180.0°	179.9°
C26	C25	C27	H19	179.1°	179.8°
C25	C26	C28	H20	179.4°	179.9°
C15	C20	C18	H10	180.0°	180.0°
C15	C20	C18	C29	179.4°	179.7°
C15	C20	C18	C17	0.0°	0.0°
C20	C15	C16	C19	0.3°	0.4°
C20	C15	C14	H5	163.8°	149.7°
C20	C15	C14	H6	45.9°	29.7°
C20	C15	C16	H7	179.7°	179.7°
C18	C20	C15	C16	1.0°	0.3°
C20	C18	C29	C17	179.5°	179.7°
C20	C18	C17	C19	1.6°	0.3°
C20	C18	C17	H8	178.3°	180.0°
C20	C18	C29	H21	89.8°	90.2°
C20	C18	C29	H22	150.2°	29.7°
C20	C18	C29	H23	30.3°	149.7°
C15	C16	C19	H7	180.0°	179.9°
C15	C16	C19	C17	1.4°	0.1°
C16	C15	C14	H5	10.6°	29.9°
C16	C15	C14	H6	128.5°	149.9°
C15	C16	C19	H9	178.6°	179.9°
C16	C15	C20	H10	179.0°	179.7°
O5	C2	C1	C4	177.3°	179.8°
O5	C2	C1	C6	4.0°	0.0°
O5	C2	C3	H1	1.1°	0.0°
C2	C1	C4	C6	178.7°	179.8°
C2	C1	C6	N7	106.8°	130.7°
C2	C1	C6	O8	74.8°	49.3°
C1	C2	C3	H1	175.4°	180.0°
C2	C1	C4	H2	179.0°	179.7°
C1	C2	O5	H3	5.6°	90.0°
C4	C1	C6	N7	71.9°	49.6°
C4	C1	C6	O8	106.5°	130.5°
C29	C18	C17	C19	178.9°	180.0°
C29	C18	C17	H8	1.1°	0.3°
C29	C18	C20	H10	0.6°	0.3°
C18	C29	H21	H22	120.0°	120.0°
C18	C29	H21	H23	120.0°	120.0°
C18	C29	H22	H23	120.0°	120.0°
C18	C17	C19	C16	2.3°	0.2°
C18	C17	C19	H8	180.0°	179.8°
C18	C17	C19	H9	177.7°	179.7°
C17	C18	C20	H10	179.9°	180.0°
C17	C18	C29	H21	89.7°	90.1°
C17	C18	C29	H22	30.3°	150.0°
C17	C18	C29	H23	150.3°	30.0°
C22	C23	C28	C26	179.4°	180.0°
C23	C22	N7	H14	121.2°	120.0°
C23	C22	N7	H15	121.2°	120.0°
C23	C22	N7	C6	84.2°	90.1°
C23	C22	N7	C21	100.3°	90.0°
C23	C22	H14	H15	116.2°	119.9°
C22	C23	C24	H16	0.6°	0.1°
C22	C23	C28	H20	0.6°	0.0°
C23	C28	C26	H20	180.0°	180.0°
C28	C23	C22	N7	30.2°	89.9°
C28	C23	C22	H14	151.4°	30.0°
C28	C23	C22	H15	91.0°	150.0°
C28	C23	C24	H16	179.7°	179.7°
C23	C28	C26	H18	179.4°	179.9°
C16	C19	C17	H9	180.0°	180.0°
C16	C19	C17	H8	177.7°	180.0°
C1	C6	N7	C22	6.1°	175.5°
C1	C6	N7	O8	178.4°	179.9°
C1	C6	N7	C21	178.5°	4.6°
C6	C1	C4	H2	2.3°	0.1°
C28	C26	C25	H17	179.1°	180.0°
C22	N7	C6	C21	175.3°	179.9°
C22	N7	C6	O8	175.5°	4.4°
C22	N7	C21	H11	180.0°	86.9°
C22	N7	C21	H12	60.0°	33.1°
C22	N7	C21	H13	60.0°	153.0°
N7	C22	H14	H15	116.2°	120.1°
C17	C19	C16	H7	178.6°	180.0°
C6	N7	C21	H11	4.3°	93.0°
C6	N7	C21	H12	115.7°	147.1°
C6	N7	C21	H13	124.3°	27.1°
C6	N7	C22	H14	37.0°	150.0°
C6	N7	C22	H15	154.6°	29.9°
O8	C6	N7	C21	0.2°	175.5°
N7	C21	H11	H12	120.0°	119.9°
N7	C21	H11	H13	120.0°	120.0°
N7	C21	H12	H13	120.0°	120.0°
C21	N7	C22	H14	138.5°	29.9°
C21	N7	C22	H15	20.9°	150.0°
H7	C16	C19	H9	1.4°	0.1°
H8	C17	C19	H9	2.3°	0.0°
H11	C21	H12	H13	120.0°	120.1°
H16	C24	C27	H19	0.6°	0.0°
H17	C25	C26	H18	0.9°	0.1°
H17	C25	C27	H19	0.9°	0.0°
H18	C26	C28	H20	0.6°	0.0°
H21	C29	H22	H23	120.0°	120.1°

Definition date:	2012-04-09
Last modified:	2012-06-22
Release status:	REL
Processing site:	PDBJ
Derived from:	4EFU