ZZG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O2	sing	1.43Å	1.43Å
O2	C3	sing	1.36Å	1.36Å
C3	C4	sing	1.39Å	1.40Å	Aromatic
C3	C32	doub	1.39Å	1.40Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C5	N6	sing	1.40Å	1.41Å
C5	C28	sing	1.39Å	1.40Å	Aromatic
N6	C7	sing	1.39Å	1.40Å
C7	C8	sing	1.39Å	1.39Å	Aromatic
C7	N27	doub	1.33Å	1.34Å	Aromatic
C8	C9	doub	1.39Å	1.39Å	Aromatic
C9	O10	sing	1.36Å	1.38Å
C9	C25	sing	1.40Å	1.40Å	Aromatic
O10	C11	sing	1.36Å	1.37Å
C11	C12	sing	1.39Å	1.38Å	Aromatic
C11	C18	doub	1.40Å	1.39Å	Aromatic
C12	C13	doub	1.39Å	1.38Å	Aromatic
C13	C14	sing	1.51Å	1.52Å
C13	C15	sing	1.38Å	1.40Å	Aromatic
C15	C16	sing	1.51Å	1.51Å
C15	N17	doub	1.32Å	1.34Å	Aromatic
N17	C18	sing	1.33Å	1.34Å	Aromatic
C18	C19	sing	1.48Å	1.49Å	Aromatic
C19	C20	sing	1.39Å	1.40Å	Aromatic
C19	N24	doub	1.33Å	1.34Å	Aromatic
C20	C21	doub	1.38Å	1.39Å	Aromatic
C21	C22	sing	1.39Å	1.39Å	Aromatic
C22	C23	doub	1.38Å	1.39Å	Aromatic
C23	N24	sing	1.32Å	1.33Å	Aromatic
C25	C26	doub	1.38Å	1.39Å	Aromatic
C26	N27	sing	1.32Å	1.34Å	Aromatic
C28	C29	doub	1.39Å	1.40Å	Aromatic
C29	O30	sing	1.36Å	1.37Å
C29	C32	sing	1.39Å	1.40Å	Aromatic
O30	C31	sing	1.43Å	1.43Å
C32	O33	sing	1.36Å	1.38Å
O33	C34	sing	1.43Å	1.43Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C1	H13C	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
N6	H6	sing	0.97Å	1.00Å
C28	H28	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C14	H143	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C16	H163	sing	1.09Å	1.10Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
C31	H311	sing	1.09Å	1.10Å
C31	H312	sing	1.09Å	1.10Å
C31	H313	sing	1.09Å	1.10Å
C34	H341	sing	1.09Å	1.10Å
C34	H342	sing	1.09Å	1.10Å
C34	H343	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O2	C3	117.9°	117.0°
O2	C1	H11C	109.5°	109.5°
O2	C1	H12C	109.4°	109.5°
O2	C1	H13C	109.5°	109.4°
O2	C3	C4	124.2°	120.0°
O2	C3	C32	115.8°	120.0°
C4	C3	C32	120.0°	120.0°
C3	C4	C5	120.9°	120.0°
C3	C4	H4	119.6°	120.0°
C3	C32	C29	119.3°	120.0°
C3	C32	O33	120.6°	120.0°
C4	C5	N6	117.9°	119.9°
C4	C5	C28	118.8°	120.1°
C5	C4	H4	119.6°	120.0°
N6	C5	C28	123.3°	120.0°
C5	N6	C7	127.6°	119.9°
C5	N6	H6	116.2°	120.0°
C5	C28	C29	121.2°	120.0°
C5	C28	H28	119.4°	120.0°
N6	C7	C8	119.3°	119.7°
N6	C7	N27	117.5°	119.7°
C7	N6	H6	116.2°	120.0°
C8	C7	N27	123.2°	120.6°
C7	C8	C9	117.9°	119.0°
C7	C8	H8	121.1°	120.4°
C7	N27	C26	117.6°	121.8°
C8	C9	O10	119.2°	120.8°
C8	C9	C25	120.3°	118.4°
C9	C8	H8	121.1°	120.6°
O10	C9	C25	120.5°	120.8°
C9	O10	C11	119.6°	118.0°
C9	C25	C26	116.7°	119.3°
C9	C25	H25	121.7°	120.4°
O10	C11	C12	119.3°	120.5°
O10	C11	C18	120.9°	120.5°
C12	C11	C18	119.8°	119.0°
C11	C12	C13	119.8°	118.5°
C11	C12	H12	120.1°	120.8°
C11	C18	N17	121.1°	120.4°
C11	C18	C19	123.2°	119.8°
C12	C13	C14	120.6°	120.3°
C12	C13	C15	117.0°	119.4°
C13	C12	H12	120.1°	120.7°
C14	C13	C15	122.4°	120.3°
C13	C14	H141	109.5°	109.5°
C13	C14	H142	109.5°	109.5°
C13	C14	H143	109.5°	109.5°
C13	C15	C16	121.7°	119.4°
C13	C15	N17	123.3°	121.0°
C16	C15	N17	115.1°	119.5°
C15	C16	H161	109.5°	109.4°
C15	C16	H162	109.5°	109.4°
C15	C16	H163	109.5°	109.5°
C15	N17	C18	119.1°	121.7°
N17	C18	C19	115.7°	119.8°
C18	C19	C20	121.3°	119.7°
C18	C19	N24	116.3°	119.8°
C20	C19	N24	122.3°	120.5°
C19	C20	C21	119.1°	119.0°
C19	C20	H20	120.4°	120.5°
C19	N24	C23	117.9°	121.6°
C20	C21	C22	118.2°	118.5°
C21	C20	H20	120.4°	120.5°
C20	C21	H21	120.9°	120.7°
C21	C22	C23	118.6°	119.4°
C22	C21	H21	120.9°	120.7°
C21	C22	H22	120.7°	120.3°
C22	C23	N24	123.9°	120.9°
C23	C22	H22	120.7°	120.3°
C22	C23	H23	118.1°	119.6°
N24	C23	H23	118.1°	119.6°
C25	C26	N27	124.3°	120.9°
C26	C25	H25	121.6°	120.4°
C25	C26	H26	117.8°	119.5°
N27	C26	H26	117.9°	119.6°
C28	C29	O30	121.7°	120.0°
C28	C29	C32	119.8°	119.9°
C29	C28	H28	119.4°	120.0°
O30	C29	C32	118.5°	120.1°
C29	O30	C31	118.0°	117.0°
C29	C32	O33	120.0°	120.0°
O30	C31	H311	109.5°	109.5°
O30	C31	H312	109.4°	109.5°
O30	C31	H313	109.5°	109.5°
C32	O33	C34	112.3°	117.0°
O33	C34	H341	109.5°	109.5°
O33	C34	H342	109.5°	109.5°
O33	C34	H343	109.5°	109.4°
H11C	C1	H12C	109.4°	109.5°
H11C	C1	H13C	109.5°	109.5°
H12C	C1	H13C	109.5°	109.5°
H141	C14	H142	109.5°	109.4°
H141	C14	H143	109.4°	109.4°
H142	C14	H143	109.5°	109.5°
H161	C16	H162	109.5°	109.4°
H161	C16	H163	109.5°	109.5°
H162	C16	H163	109.5°	109.5°
H311	C31	H312	109.5°	109.4°
H311	C31	H313	109.4°	109.4°
H312	C31	H313	109.5°	109.5°
H341	C34	H342	109.5°	109.5°
H341	C34	H343	109.4°	109.5°
H342	C34	H343	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O2	C3	C4	0.1°	0.0°
C1	O2	C3	C32	179.8°	179.7°
O2	C1	H11C	H12C	120.0°	120.0°
O2	C1	H11C	H13C	120.0°	119.9°
O2	C1	H12C	H13C	120.0°	119.9°
O2	C3	C4	C32	179.8°	179.7°
O2	C3	C4	C5	179.9°	180.0°
O2	C3	C32	C29	179.3°	179.8°
O2	C3	C32	O33	1.1°	0.0°
C3	O2	C1	H11C	172.2°	60.0°
C3	O2	C1	H12C	52.3°	60.1°
C3	O2	C1	H13C	67.8°	180.0°
O2	C3	C4	H4	0.1°	0.1°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	N6	179.6°	180.0°
C3	C4	C5	C28	0.1°	0.1°
C4	C3	C32	C29	0.9°	0.5°
C4	C3	C32	O33	179.1°	179.7°
C32	C3	C4	C5	0.3°	0.3°
C3	C32	C29	C28	0.9°	0.5°
C3	C32	C29	O30	179.9°	179.8°
C3	C32	C29	O33	178.3°	179.8°
C3	C32	O33	C34	110.6°	90.0°
C32	C3	C4	H4	179.7°	179.8°
C4	C5	N6	C28	179.4°	180.0°
C4	C5	N6	C7	158.5°	147.1°
C4	C5	C28	C29	0.1°	0.0°
C4	C5	N6	H6	21.5°	32.9°
C4	C5	C28	H28	179.9°	180.0°
C5	N6	C7	H6	180.0°	180.0°
C5	N6	C7	C8	27.2°	174.3°
C5	N6	C7	N27	154.0°	6.0°
N6	C5	C28	C29	179.5°	180.0°
N6	C5	C4	H4	0.4°	0.1°
N6	C5	C28	H28	0.5°	0.0°
C28	C5	N6	C7	22.1°	32.8°
C5	C28	C29	H28	180.0°	180.0°
C5	C28	C29	O30	179.6°	180.0°
C5	C28	C29	C32	0.5°	0.3°
C28	C5	C4	H4	179.8°	180.0°
C28	C5	N6	H6	157.9°	147.1°
N6	C7	C8	N27	178.7°	179.8°
N6	C7	C8	C9	179.6°	180.0°
N6	C7	N27	C26	179.8°	179.8°
N6	C7	C8	H8	0.5°	0.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	O10	179.5°	180.0°
C7	C8	C9	C25	0.0°	0.0°
C8	C7	N27	C26	1.0°	0.5°
C8	C7	N6	H6	152.8°	5.7°
N27	C7	C8	C9	0.8°	0.2°
C7	N27	C26	C25	0.5°	0.5°
N27	C7	N6	H6	26.0°	174.1°
N27	C7	C8	H8	179.2°	179.8°
C7	N27	C26	H26	179.5°	179.7°
C8	C9	O10	C25	179.5°	180.0°
C8	C9	O10	C11	176.7°	103.1°
C8	C9	C25	C26	0.4°	0.0°
C8	C9	C25	H25	179.6°	180.0°
C9	O10	C11	C12	71.7°	5.6°
C9	O10	C11	C18	110.4°	174.8°
O10	C9	C25	C26	179.9°	180.0°
O10	C9	C8	H8	0.5°	0.0°
O10	C9	C25	H25	0.1°	0.0°
C25	C9	O10	C11	3.8°	76.9°
C9	C25	C26	H25	180.0°	180.0°
C9	C25	C26	N27	0.2°	0.2°
C25	C9	C8	H8	180.0°	179.9°
C9	C25	C26	H26	179.8°	179.9°
O10	C11	C12	C18	177.9°	179.6°
O10	C11	C12	C13	179.0°	179.9°
O10	C11	C18	N17	178.6°	179.7°
O10	C11	C18	C19	0.6°	0.1°
O10	C11	C12	H12	1.0°	0.1°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	179.3°	180.0°
C11	C12	C13	C15	0.7°	0.1°
C12	C11	C18	N17	0.7°	0.6°
C12	C11	C18	C19	177.3°	179.7°
C18	C11	C12	C13	1.1°	0.3°
C11	C18	N17	C15	0.1°	0.6°
C11	C18	N17	C19	178.1°	179.6°
C11	C18	C19	C20	37.0°	147.9°
C11	C18	C19	N24	141.3°	32.5°
C18	C11	C12	H12	178.9°	179.7°
C12	C13	C14	C15	180.0°	179.9°
C12	C13	C15	C16	179.8°	180.0°
C12	C13	C15	N17	0.1°	0.1°
C12	C13	C14	H141	120.9°	90.1°
C12	C13	C14	H142	119.1°	150.0°
C12	C13	C14	H143	0.9°	29.9°
C14	C13	C15	C16	0.1°	0.1°
C14	C13	C15	N17	179.9°	180.0°
C14	C13	C12	H12	0.7°	0.0°
C13	C14	H141	H142	120.0°	120.0°
C13	C14	H141	H143	120.0°	120.0°
C13	C14	H142	H143	120.0°	120.1°
C13	C15	C16	N17	179.8°	179.9°
C13	C15	N17	C18	0.5°	0.2°
C15	C13	C12	H12	179.3°	179.9°
C15	C13	C14	H141	59.1°	90.0°
C15	C13	C14	H142	60.9°	30.0°
C15	C13	C14	H143	179.1°	150.0°
C13	C15	C16	H161	36.1°	90.0°
C13	C15	C16	H162	83.9°	150.1°
C13	C15	C16	H163	156.1°	30.0°
C16	C15	N17	C18	179.8°	179.7°
C15	C16	H161	H162	120.0°	119.9°
C15	C16	H161	H163	120.0°	120.0°
C15	C16	H162	H163	120.0°	120.0°
C15	N17	C18	C19	178.2°	179.8°
N17	C15	C16	H161	144.1°	89.9°
N17	C15	C16	H162	95.9°	30.0°
N17	C15	C16	H163	24.2°	150.1°
N17	C18	C19	C20	144.9°	31.8°
N17	C18	C19	N24	36.8°	147.9°
C18	C19	C20	N24	178.2°	179.7°
C18	C19	C20	C21	178.8°	179.9°
C18	C19	N24	C23	179.3°	179.8°
C18	C19	C20	H20	1.3°	0.1°
C19	C20	C21	H20	180.0°	180.0°
C19	C20	C21	C22	0.2°	0.0°
C20	C19	N24	C23	1.0°	0.6°
C19	C20	C21	H21	179.8°	180.0°
N24	C19	C20	C21	0.5°	0.3°
C19	N24	C23	C22	0.7°	0.6°
N24	C19	C20	H20	179.5°	179.7°
C19	N24	C23	H23	179.3°	179.7°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C23	0.4°	0.0°
C20	C21	C22	H22	179.6°	180.0°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	N24	0.0°	0.3°
C22	C21	C20	H20	179.8°	180.0°
C21	C22	C23	H23	180.0°	180.0°
C22	C23	N24	H23	180.0°	179.7°
C23	C22	C21	H21	179.6°	180.0°
N24	C23	C22	H22	180.0°	179.7°
C25	C26	N27	H26	180.0°	179.9°
N27	C26	C25	H25	179.8°	179.8°
C28	C29	O30	C32	179.2°	179.8°
C28	C29	O30	C31	0.5°	5.2°
C28	C29	C32	O33	179.2°	179.7°
O30	C29	C32	O33	1.6°	0.0°
O30	C29	C28	H28	0.4°	0.0°
C29	O30	C31	H311	4.3°	65.2°
C29	O30	C31	H312	115.7°	54.7°
C29	O30	C31	H313	124.2°	174.8°
C32	C29	O30	C31	179.7°	174.5°
C29	C32	O33	C34	71.1°	89.8°
C32	C29	C28	H28	179.5°	179.7°
O30	C31	H311	H312	120.0°	120.0°
O30	C31	H311	H313	120.0°	120.0°
O30	C31	H312	H313	120.0°	120.1°
C32	O33	C34	H341	127.0°	180.0°
C32	O33	C34	H342	7.0°	59.9°
C32	O33	C34	H343	113.0°	60.0°
O33	C34	H341	H342	120.0°	120.1°
O33	C34	H341	H343	120.0°	120.0°
O33	C34	H342	H343	120.0°	119.9°
H11C	C1	H12C	H13C	120.0°	120.0°
H25	C25	C26	H26	0.2°	0.1°
H141	C14	H142	H143	120.0°	119.9°
H161	C16	H162	H163	120.0°	120.1°
H20	C20	C21	H21	0.2°	0.0°
H21	C21	C22	H22	0.4°	0.0°
H22	C22	C23	H23	0.0°	0.0°
H311	C31	H312	H313	120.0°	119.9°
H341	C34	H342	H343	120.0°	120.0°

Definition date:	2009-07-28
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2WOT