QIG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C2	C3	doub	1.38Å	1.42Å	Aromatic
C2	N7	sing	1.32Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.41Å	Aromatic
C4	C5	doub	1.38Å	1.40Å	Aromatic
C5	C6	sing	1.39Å	1.42Å	Aromatic
C6	N7	doub	1.33Å	1.39Å	Aromatic
C6	C8	sing	1.48Å	1.48Å	Aromatic
C8	N9	doub	1.33Å	1.35Å	Aromatic
C8	N28	sing	1.32Å	1.36Å	Aromatic
N9	C10	sing	1.33Å	1.37Å	Aromatic
C10	N11	sing	1.38Å	1.42Å
C10	C22	doub	1.42Å	1.43Å	Aromatic
N11	C12	sing	1.40Å	1.42Å
C12	C13	doub	1.40Å	1.43Å	Aromatic
C12	C21	sing	1.38Å	1.43Å	Aromatic
C13	C14	sing	1.37Å	1.43Å	Aromatic
C14	C15	doub	1.39Å	1.43Å	Aromatic
C15	N16	sing	1.37Å	1.37Å	Aromatic
C15	C20	sing	1.41Å	1.41Å	Aromatic
N16	N18	sing	1.40Å	1.36Å	Aromatic
N18	C19	doub	1.30Å	1.35Å	Aromatic
C19	C20	sing	1.46Å	1.41Å	Aromatic
C20	C21	doub	1.40Å	1.43Å	Aromatic
C22	C23	sing	1.40Å	1.44Å	Aromatic
C22	C27	sing	1.42Å	1.45Å	Aromatic
C23	C24	doub	1.36Å	1.41Å	Aromatic
C24	C25	sing	1.39Å	1.42Å	Aromatic
C25	C26	doub	1.36Å	1.44Å	Aromatic
C26	C27	sing	1.40Å	1.41Å	Aromatic
C27	N28	doub	1.34Å	1.36Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
N11	HN11	sing	0.97Å	1.00Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
N16	HN16	sing	0.97Å	1.00Å
C19	H19	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C25	H25	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)
C1	C2	C3	120.4°	119.6°
C1	C2	N7	117.7°	119.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.5°
C2	C1	H1B	109.5°	109.5°
C3	C2	N7	121.9°	120.9°
C2	C3	C4	118.1°	119.4°
C2	C3	H3	121.0°	120.3°
C2	N7	C6	119.1°	121.6°
C3	C4	C5	120.8°	118.5°
C4	C3	H3	120.9°	120.3°
C3	C4	H4	119.6°	120.7°
C4	C5	C6	118.9°	119.1°
C5	C4	H4	119.6°	120.8°
C4	C5	H5	120.5°	120.5°
C5	C6	N7	121.2°	120.5°
C5	C6	C8	121.5°	119.8°
C6	C5	H5	120.6°	120.4°
N7	C6	C8	117.2°	119.7°
C6	C8	N9	117.5°	118.7°
C6	C8	N28	119.0°	118.6°
N9	C8	N28	123.4°	122.7°
C8	N9	C10	119.6°	121.5°
C8	N28	C27	117.6°	120.5°
N9	C10	N11	115.7°	120.9°
N9	C10	C22	121.9°	118.3°
N11	C10	C22	122.4°	120.9°
C10	N11	C12	134.1°	120.0°
C10	N11	HN11	112.9°	120.0°
C10	C22	C23	126.5°	122.0°
C10	C22	C27	114.0°	118.3°
N11	C12	C13	118.8°	119.8°
N11	C12	C21	122.0°	119.8°
C12	N11	HN11	113.0°	120.0°
C13	C12	C21	119.1°	120.4°
C12	C13	C14	122.1°	120.8°
C12	C13	H13	119.0°	119.7°
C12	C21	C20	119.9°	119.5°
C12	C21	H21	120.0°	120.3°
C13	C14	C15	116.9°	120.1°
C14	C13	H13	118.9°	119.6°
C13	C14	H14	121.5°	120.0°
C14	C15	N16	131.8°	133.7°
C14	C15	C20	123.0°	119.6°
C15	C14	H14	121.6°	120.0°
N16	C15	C20	105.2°	106.7°
C15	N16	N18	113.7°	109.0°
C15	N16	HN16	123.1°	125.5°
C15	C20	C19	104.7°	106.3°
C15	C20	C21	118.9°	119.7°
N16	N18	C19	103.9°	110.1°
N18	N16	HN16	123.2°	125.5°
N18	C19	C20	112.5°	107.9°
N18	C19	H19	123.7°	126.1°
C19	C20	C21	136.4°	134.0°
C20	C19	H19	123.8°	126.1°
C20	C21	H21	120.0°	120.2°
C23	C22	C27	119.5°	119.6°
C22	C23	C24	120.8°	119.6°
C22	C23	H23	119.6°	120.2°
C22	C27	C26	118.8°	119.3°
C22	C27	N28	123.3°	118.8°
C23	C24	C25	119.5°	120.9°
C24	C23	H23	119.6°	120.2°
C23	C24	H24	120.2°	119.6°
C24	C25	C26	120.1°	121.0°
C25	C24	H24	120.2°	119.6°
C24	C25	H25	120.0°	119.5°
C25	C26	C27	121.2°	119.6°
C26	C25	H25	119.9°	119.4°
C25	C26	H26	119.4°	120.2°
C26	C27	N28	117.8°	121.9°
C27	C26	H26	119.4°	120.2°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.4°	109.4°
H1A	C1	H1B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	N7	179.8°	179.7°
C1	C2	C3	C4	179.8°	180.0°
C1	C2	N7	C6	179.8°	179.7°
C2	C1	H1	H1A	120.0°	120.1°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	120.0°
C1	C2	C3	H3	0.2°	0.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.0°	0.0°
C3	C2	N7	C6	0.0°	0.6°
C3	C2	C1	H1	150.8°	90.0°
C3	C2	C1	H1A	89.2°	150.0°
C3	C2	C1	H1B	30.9°	30.0°
C2	C3	C4	H4	180.0°	180.0°
N7	C2	C3	C4	0.0°	0.3°
C2	N7	C6	C5	0.0°	0.6°
C2	N7	C6	C8	179.9°	179.7°
N7	C2	C1	H1	29.4°	90.3°
N7	C2	C1	H1A	90.7°	29.7°
N7	C2	C1	H1B	149.3°	149.7°
N7	C2	C3	H3	180.0°	179.7°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	H5	180.0°	179.9°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	N7	0.0°	0.3°
C4	C5	C6	C8	179.9°	180.0°
C5	C4	C3	H3	180.0°	180.0°
C5	C6	N7	C8	179.9°	179.7°
C5	C6	C8	N9	27.6°	180.0°
C5	C6	C8	N28	152.1°	0.3°
C6	C5	C4	H4	180.0°	179.9°
N7	C6	C8	N9	152.5°	0.3°
N7	C6	C8	N28	27.8°	180.0°
N7	C6	C5	H5	180.0°	179.8°
C6	C8	N9	N28	179.8°	179.7°
C6	C8	N9	C10	179.9°	180.0°
C6	C8	N28	C27	179.9°	179.7°
C8	C6	C5	H5	0.1°	0.1°
C8	N9	C10	N11	179.7°	180.0°
C8	N9	C10	C22	0.1°	0.0°
N9	C8	N28	C27	0.1°	0.6°
N28	C8	N9	C10	0.1°	0.3°
C8	N28	C27	C22	0.0°	0.6°
C8	N28	C27	C26	179.9°	179.7°
N9	C10	N11	C22	179.7°	180.0°
N9	C10	N11	C12	19.6°	5.7°
N9	C10	C22	C23	180.0°	180.0°
N9	C10	C22	C27	0.2°	0.0°
N9	C10	N11	HN11	160.4°	174.3°
C10	N11	C12	HN11	180.0°	180.0°
C10	N11	C12	C13	166.4°	36.7°
C10	N11	C12	C21	13.9°	143.5°
N11	C10	C22	C23	0.3°	0.0°
N11	C10	C22	C27	179.5°	180.0°
C22	C10	N11	C12	160.6°	174.3°
C10	C22	C23	C27	179.8°	179.9°
C10	C22	C23	C24	179.9°	180.0°
C10	C22	C27	C26	179.8°	180.0°
C10	C22	C27	N28	0.2°	0.3°
C22	C10	N11	HN11	19.4°	5.7°
C10	C22	C23	H23	0.1°	0.1°
N11	C12	C13	C21	179.7°	179.7°
N11	C12	C13	C14	179.5°	180.0°
N11	C12	C21	C20	179.5°	179.7°
N11	C12	C13	H13	0.5°	0.0°
N11	C12	C21	H21	0.5°	0.1°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.0°	0.0°
C13	C12	C21	C20	0.1°	0.5°
C13	C12	N11	HN11	13.6°	143.3°
C12	C13	C14	H14	180.0°	180.0°
C13	C12	C21	H21	179.9°	179.8°
C21	C12	C13	C14	0.2°	0.3°
C12	C21	C20	C15	0.1°	0.5°
C12	C21	C20	C19	179.9°	179.8°
C12	C21	C20	H21	180.0°	179.7°
C21	C12	N11	HN11	166.1°	36.4°
C21	C12	C13	H13	179.8°	179.7°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	N16	179.8°	180.0°
C13	C14	C15	C20	0.2°	0.0°
C14	C15	N16	C20	180.0°	180.0°
C14	C15	N16	N18	179.9°	180.0°
C14	C15	C20	C19	179.9°	180.0°
C14	C15	C20	C21	0.2°	0.2°
C15	C14	C13	H13	180.0°	180.0°
C14	C15	N16	HN16	0.0°	0.0°
C15	N16	N18	HN16	180.0°	180.0°
C15	N16	N18	C19	0.0°	0.0°
N16	C15	C20	C19	0.1°	0.0°
N16	C15	C20	C21	179.8°	179.8°
N16	C15	C14	H14	0.1°	0.0°
C20	C15	N16	N18	0.0°	0.0°
C15	C20	C19	N18	0.1°	0.0°
C15	C20	C19	C21	179.8°	179.7°
C20	C15	C14	H14	179.8°	180.0°
C20	C15	N16	HN16	180.0°	180.0°
C15	C20	C19	H19	180.0°	180.0°
C15	C20	C21	H21	179.9°	179.8°
N16	N18	C19	C20	0.0°	0.0°
N16	N18	C19	H19	180.0°	180.0°
N18	C19	C20	H19	180.0°	180.0°
N18	C19	C20	C21	179.7°	179.7°
C19	N18	N16	HN16	180.0°	180.0°
C19	C20	C21	H21	0.1°	0.1°
C21	C20	C19	H19	0.2°	0.3°
C22	C23	C24	H23	180.0°	179.9°
C22	C23	C24	C25	0.2°	0.1°
C23	C22	C27	C26	0.0°	0.0°
C23	C22	C27	N28	180.0°	179.7°
C22	C23	C24	H24	179.8°	180.0°
C27	C22	C23	C24	0.1°	0.1°
C22	C27	C26	C25	0.2°	0.0°
C22	C27	C26	N28	179.9°	179.7°
C27	C22	C23	H23	179.9°	180.0°
C22	C27	C26	H26	179.8°	179.9°
C23	C24	C25	H24	180.0°	179.9°
C23	C24	C25	C26	0.0°	0.0°
C23	C24	C25	H25	180.0°	180.0°
C24	C25	C26	H25	180.0°	180.0°
C24	C25	C26	C27	0.1°	0.0°
C25	C24	C23	H23	179.8°	180.0°
C24	C25	C26	H26	179.9°	179.9°
C25	C26	C27	H26	180.0°	179.9°
C25	C26	C27	N28	179.9°	179.7°
C26	C25	C24	H24	180.0°	179.9°
C27	C26	C25	H25	179.9°	180.0°
N28	C27	C26	H26	0.1°	0.4°
H1	C1	H1A	H1B	119.9°	119.9°
H3	C3	C4	H4	0.1°	0.0°
H4	C4	C5	H5	0.0°	0.0°
H13	C13	C14	H14	0.0°	0.0°
H23	C23	C24	H24	0.2°	0.1°
H24	C24	C25	H25	0.1°	0.0°
H25	C25	C26	H26	0.1°	0.1°

Definition date:	2009-04-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3GXL