411

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR	C25	sing	1.89Å	1.89Å
C25	C26	doub	1.38Å	1.39Å	Aromatic
C25	C24	sing	1.38Å	1.40Å	Aromatic
C26	C21	sing	1.40Å	1.40Å	Aromatic
C24	C23	doub	1.38Å	1.40Å	Aromatic
N4	C13	sing	1.37Å	1.38Å
C21	C20	sing	1.48Å	1.48Å
C21	C22	doub	1.40Å	1.41Å	Aromatic
C23	C22	sing	1.38Å	1.40Å	Aromatic
C20	N5	sing	1.35Å	1.39Å
C20	O2	doub	1.22Å	1.22Å
N5	C17	sing	1.40Å	1.42Å
N2	C13	sing	1.38Å	1.39Å
N2	C12	sing	1.35Å	1.44Å
C16	C17	doub	1.39Å	1.41Å	Aromatic
C16	C15	sing	1.38Å	1.41Å	Aromatic
C13	N3	doub	1.30Å	1.39Å
C17	C18	sing	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.51Å	1.50Å
C11	N1	sing	1.46Å	1.46Å
C15	C14	doub	1.40Å	1.41Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
C6	C1	sing	1.38Å	1.40Å	Aromatic
C12	O1	doub	1.21Å	1.23Å
C5	C4	sing	1.40Å	1.41Å	Aromatic
C18	C19	doub	1.38Å	1.39Å	Aromatic
C14	C19	sing	1.40Å	1.40Å	Aromatic
C14	C10	sing	1.48Å	1.47Å	Aromatic
N1	C10	sing	1.37Å	1.39Å	Aromatic
N1	C7	sing	1.37Å	1.39Å	Aromatic
C1	C2	doub	1.38Å	1.40Å	Aromatic
C10	C9	doub	1.36Å	1.39Å	Aromatic
C4	C7	sing	1.48Å	1.47Å	Aromatic
C4	C3	doub	1.40Å	1.41Å	Aromatic
C7	C8	doub	1.36Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
C9	C8	sing	1.40Å	1.42Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
N3	HN3	sing	0.97Å	1.00Å
N4	HN4	sing	0.97Å	1.00Å
N4	HN4A	sing	0.97Å	1.00Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
N5	HN5	sing	0.97Å	1.00Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR	C25	C26	118.7°	119.9°
BR	C25	C24	120.0°	119.9°
C26	C25	C24	121.4°	120.1°
C25	C26	C21	119.0°	119.8°
C25	C26	H26	120.5°	120.1°
C25	C24	C23	119.5°	120.3°
C25	C24	H24	120.3°	119.9°
C26	C21	C20	119.1°	120.1°
C26	C21	C22	120.1°	119.8°
C21	C26	H26	120.5°	120.1°
C24	C23	C22	119.9°	120.2°
C24	C23	H23	120.1°	119.9°
C23	C24	H24	120.2°	119.9°
N4	C13	N2	120.6°	120.0°
N4	C13	N3	119.8°	120.0°
C13	N4	HN4	109.3°	120.0°
C13	N4	HN4A	125.4°	120.0°
C20	C21	C22	120.8°	120.1°
C21	C20	N5	115.6°	120.0°
C21	C20	O2	116.5°	120.0°
C21	C22	C23	120.1°	119.8°
C21	C22	H22	119.9°	120.1°
C23	C22	H22	120.0°	120.1°
C22	C23	H23	120.0°	120.0°
N5	C20	O2	127.9°	120.0°
C20	N5	C17	127.7°	120.0°
C20	N5	HN5	116.1°	120.0°
N5	C17	C16	127.5°	119.9°
N5	C17	C18	113.7°	119.9°
C17	N5	HN5	116.2°	120.0°
C13	N2	C12	125.1°	120.0°
N2	C13	N3	119.6°	120.0°
C13	N2	HN2	117.5°	120.0°
N2	C12	C11	112.9°	120.0°
N2	C12	O1	122.8°	120.0°
C12	N2	HN2	117.4°	120.0°
C17	C16	C15	120.1°	120.0°
C16	C17	C18	118.8°	120.2°
C17	C16	H16	119.9°	119.9°
C16	C15	C14	120.6°	119.9°
C16	C15	H15	119.7°	120.0°
C15	C16	H16	120.0°	120.0°
C13	N3	HN3	109.3°	119.9°
C17	C18	C19	121.0°	120.1°
C17	C18	H18	119.5°	120.0°
C12	C11	N1	107.5°	109.5°
C11	C12	O1	124.4°	120.0°
C12	C11	H11	110.1°	109.5°
C12	C11	H11A	110.6°	109.5°
C11	N1	C10	124.5°	125.8°
C11	N1	C7	124.7°	125.8°
N1	C11	H11	110.1°	109.5°
N1	C11	H11A	110.6°	109.5°
C15	C14	C19	118.7°	119.8°
C15	C14	C10	123.2°	120.1°
C14	C15	H15	119.7°	120.1°
C5	C6	C1	119.8°	120.1°
C6	C5	C4	120.6°	119.9°
C6	C5	H5	119.7°	120.0°
C5	C6	H6	120.1°	120.0°
C6	C1	C2	120.1°	120.3°
C6	C1	H1	119.9°	119.9°
C1	C6	H6	120.1°	119.9°
C5	C4	C7	120.8°	120.2°
C5	C4	C3	119.0°	119.7°
C4	C5	H5	119.7°	120.1°
C18	C19	C14	120.8°	119.9°
C19	C18	H18	119.5°	119.9°
C18	C19	H19	119.6°	120.1°
C19	C14	C10	118.1°	120.1°
C14	C19	H19	119.6°	120.0°
C14	C10	N1	124.3°	125.9°
C14	C10	C9	129.4°	125.9°
C10	N1	C7	110.8°	108.4°
N1	C10	C9	106.2°	108.2°
N1	C7	C4	124.3°	125.9°
N1	C7	C8	106.4°	108.1°
C1	C2	C3	120.1°	120.2°
C2	C1	H1	119.9°	119.8°
C1	C2	H2	120.0°	120.0°
C10	C9	C8	108.2°	107.6°
C10	C9	H9	125.9°	126.1°
C7	C4	C3	120.2°	120.1°
C4	C7	C8	129.3°	126.0°
C4	C3	C2	120.3°	119.8°
C4	C3	H3	119.9°	120.1°
C7	C8	C9	108.4°	107.7°
C7	C8	H8	125.8°	126.1°
C3	C2	H2	119.9°	119.9°
C2	C3	H3	119.9°	120.1°
C9	C8	H8	125.8°	126.2°
C8	C9	H9	125.9°	126.2°
H11	C11	H11A	108.0°	109.4°
HN4	N4	HN4A	125.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR	C25	C26	C24	179.6°	179.5°
BR	C25	C26	C21	179.8°	180.0°
BR	C25	C24	C23	179.9°	179.7°
BR	C25	C24	H24	0.1°	0.2°
BR	C25	C26	H26	0.2°	0.6°
C25	C26	C21	H26	180.0°	179.4°
C26	C25	C24	C23	0.5°	0.2°
C25	C26	C21	C20	179.4°	179.7°
C25	C26	C21	C22	0.2°	0.5°
C26	C25	C24	H24	179.5°	179.6°
C24	C25	C26	C21	0.2°	0.5°
C25	C24	C23	H24	180.0°	179.9°
C25	C24	C23	C22	0.5°	0.1°
C25	C24	C23	H23	179.5°	180.0°
C24	C25	C26	H26	179.8°	179.9°
C26	C21	C20	C22	179.2°	179.7°
C26	C21	C22	C23	0.2°	0.3°
C26	C21	C20	N5	33.6°	0.3°
C26	C21	C20	O2	146.8°	179.7°
C26	C21	C22	H22	179.8°	179.7°
C24	C23	C22	C21	0.1°	0.0°
C24	C23	C22	H23	180.0°	179.9°
C24	C23	C22	H22	179.8°	179.9°
N4	C13	N2	N3	179.2°	180.0°
N4	C13	N2	C12	178.8°	180.0°
N4	C13	N2	HN2	1.1°	0.0°
N4	C13	N3	HN3	0.4°	0.0°
C13	N4	HN4	HN4A	180.0°	179.9°
C20	C21	C22	C23	179.4°	180.0°
C21	C20	N5	O2	179.6°	180.0°
C21	C20	N5	C17	178.1°	174.9°
C21	C20	N5	HN5	1.9°	5.2°
C20	C21	C22	H22	0.6°	0.0°
C20	C21	C26	H26	0.6°	0.3°
C21	C22	C23	H22	180.0°	180.0°
C22	C21	C20	N5	145.6°	180.0°
C22	C21	C20	O2	34.0°	0.0°
C21	C22	C23	H23	179.8°	180.0°
C22	C21	C26	H26	179.8°	180.0°
C22	C23	C24	H24	179.5°	179.9°
C20	N5	C17	HN5	180.0°	179.9°
C20	N5	C17	C16	40.7°	33.4°
C20	N5	C17	C18	137.3°	146.6°
O2	C20	N5	C17	1.4°	5.1°
O2	C20	N5	HN5	178.5°	174.8°
N5	C17	C16	C18	177.9°	180.0°
N5	C17	C16	C15	178.6°	180.0°
N5	C17	C18	C19	178.8°	180.0°
N5	C17	C16	H16	1.4°	0.0°
N5	C17	C18	H18	1.1°	0.1°
C13	N2	C12	HN2	180.0°	180.0°
C13	N2	C12	C11	180.0°	180.0°
C13	N2	C12	O1	0.9°	0.0°
N2	C13	N3	HN3	179.6°	180.0°
N2	C13	N4	HN4	0.0°	0.0°
N2	C13	N4	HN4A	180.0°	180.0°
C12	N2	C13	N3	0.3°	0.0°
N2	C12	C11	O1	179.1°	180.0°
N2	C12	C11	N1	151.8°	180.0°
N2	C12	C11	H11	31.8°	60.0°
N2	C12	C11	H11A	87.4°	60.0°
C17	C16	C15	H16	180.0°	180.0°
C17	C16	C15	C14	0.5°	0.1°
C16	C17	C18	C19	0.6°	0.1°
C17	C16	C15	H15	179.5°	180.0°
C16	C17	C18	H18	179.3°	180.0°
C16	C17	N5	HN5	139.3°	146.7°
C15	C16	C17	C18	0.7°	0.1°
C16	C15	C14	H15	180.0°	179.9°
C16	C15	C14	C19	0.3°	0.1°
C16	C15	C14	C10	179.4°	179.7°
N3	C13	N2	HN2	179.7°	180.0°
N3	C13	N4	HN4	179.2°	180.0°
N3	C13	N4	HN4A	0.8°	0.0°
C17	C18	C19	H18	180.0°	179.9°
C17	C18	C19	C14	0.4°	0.1°
C18	C17	C16	H16	179.3°	180.0°
C17	C18	C19	H19	179.5°	179.8°
C18	C17	N5	HN5	42.7°	33.3°
C12	C11	N1	H11	120.0°	120.0°
C12	C11	N1	H11A	120.8°	120.0°
C12	C11	N1	C10	79.9°	90.3°
C12	C11	N1	C7	99.1°	90.2°
C12	C11	H11	H11A	120.8°	120.0°
C11	C12	N2	HN2	0.0°	0.0°
N1	C11	C12	O1	27.3°	0.1°
C11	N1	C10	C14	0.1°	0.3°
C11	N1	C10	C7	179.1°	179.6°
C11	N1	C10	C9	179.0°	180.0°
C11	N1	C7	C4	1.0°	0.2°
C11	N1	C7	C8	179.5°	180.0°
N1	C11	H11	H11A	120.8°	120.1°
C15	C14	C19	C18	0.3°	0.1°
C15	C14	C19	C10	179.1°	179.8°
C15	C14	C10	N1	106.0°	158.7°
C15	C14	C10	C9	75.1°	21.7°
C14	C15	C16	H16	179.5°	180.0°
C15	C14	C19	H19	179.7°	179.8°
C5	C6	C1	H6	180.0°	179.6°
C6	C5	C4	H5	180.0°	179.8°
C5	C6	C1	C2	0.1°	0.5°
C6	C5	C4	C7	179.5°	179.8°
C6	C5	C4	C3	0.1°	0.2°
C5	C6	C1	H1	179.9°	179.8°
C1	C6	C5	C4	0.0°	0.4°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	C3	0.3°	0.3°
C6	C1	C2	H2	179.7°	179.8°
C1	C6	C5	H5	180.0°	179.7°
O1	C12	C11	H11	147.3°	120.1°
O1	C12	C11	H11A	93.5°	120.0°
O1	C12	N2	HN2	179.1°	179.9°
C5	C4	C7	N1	67.7°	21.6°
C5	C4	C7	C3	179.4°	180.0°
C5	C4	C7	C8	111.8°	158.1°
C5	C4	C3	C2	0.4°	0.0°
C5	C4	C3	H3	179.6°	180.0°
C4	C5	C6	H6	180.0°	180.0°
C18	C19	C14	H19	180.0°	179.7°
C18	C19	C14	C10	179.4°	179.7°
C19	C14	C10	N1	73.0°	21.5°
C19	C14	C10	C9	105.8°	158.1°
C19	C14	C15	H15	179.7°	180.0°
C14	C19	C18	H18	179.5°	180.0°
C14	C10	N1	C9	179.1°	179.7°
C14	C10	N1	C7	179.2°	179.9°
C14	C10	C9	C8	179.6°	180.0°
C14	C10	C9	H9	0.4°	0.0°
C10	C14	C15	H15	0.6°	0.2°
C10	C14	C19	H19	0.6°	0.0°
C10	N1	C7	C4	179.9°	179.8°
C10	N1	C7	C8	0.3°	0.4°
N1	C10	C9	C8	0.6°	0.3°
N1	C10	C9	H9	179.4°	179.7°
C10	N1	C11	H11	40.1°	149.7°
C10	N1	C11	H11A	159.3°	29.7°
C7	N1	C10	C9	0.2°	0.4°
N1	C7	C4	C8	179.4°	179.8°
N1	C7	C4	C3	111.7°	158.4°
N1	C7	C8	C9	0.7°	0.2°
N1	C7	C8	H8	179.3°	179.8°
C7	N1	C11	H11	140.9°	29.8°
C7	N1	C11	H11A	21.7°	149.8°
C1	C2	C3	C4	0.4°	0.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	H3	179.5°	179.9°
C2	C1	C6	H6	179.9°	179.9°
C10	C9	C8	C7	0.8°	0.0°
C10	C9	C8	H9	180.0°	180.0°
C10	C9	C8	H8	179.2°	180.0°
C7	C4	C3	C2	179.7°	180.0°
C4	C7	C8	C9	179.8°	180.0°
C7	C4	C3	H3	0.3°	0.0°
C7	C4	C5	H5	0.5°	0.1°
C4	C7	C8	H8	0.2°	0.0°
C3	C4	C7	C8	68.9°	21.8°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	H2	179.5°	180.0°
C3	C4	C5	H5	179.9°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	H9	179.2°	180.0°
C3	C2	C1	H1	179.7°	180.0°
H1	C1	C2	H2	0.3°	0.1°
H1	C1	C6	H6	0.1°	0.3°
H2	C2	C3	H3	0.5°	0.0°
H5	C5	C6	H6	0.0°	0.2°
H8	C8	C9	H9	0.7°	0.0°
H15	C15	C16	H16	0.5°	0.0°
H18	C18	C19	H19	0.5°	0.3°
H22	C22	C23	H23	0.2°	0.0°
H23	C23	C24	H24	0.5°	0.1°

Definition date:	2008-01-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZE1