NNK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N16	C17	sing	1.47Å	1.47Å
C17	C18	sing	1.51Å	1.52Å
C18	C22	doub	1.39Å	1.39Å	Aromatic
C18	C27	sing	1.39Å	1.39Å	Aromatic
C22	C23	sing	1.38Å	1.39Å	Aromatic
C23	N24	doub	1.32Å	1.34Å	Aromatic
N24	C25	sing	1.47Å	1.47Å
N24	C26	sing	1.32Å	1.34Å	Aromatic
C26	C27	doub	1.38Å	1.39Å	Aromatic
N16	HN16	sing	1.01Å	1.00Å
N16	HN1A	sing	1.01Å	1.00Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C25	H25B	sing	1.09Å	1.10Å
C26	H26	sing	1.08Å	1.08Å
C27	H27	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N16	C17	C18	110.0°	109.5°
C17	N16	HN16	109.5°	111.0°
C17	N16	HN1A	109.5°	111.0°
N16	C17	H17	109.3°	109.4°
N16	C17	H17A	109.3°	109.5°
C17	C18	C22	121.1°	120.8°
C17	C18	C27	120.3°	120.8°
C18	C17	H17	109.3°	109.5°
C18	C17	H17A	109.3°	109.5°
C22	C18	C27	118.6°	118.4°
C18	C22	C23	119.3°	119.2°
C18	C22	H22	120.4°	120.4°
C18	C27	C26	119.9°	119.2°
C18	C27	H27	120.0°	120.5°
C22	C23	N24	121.0°	120.7°
C23	C22	H22	120.4°	120.4°
C22	C23	H23	119.5°	119.7°
C23	N24	C25	119.6°	119.1°
C23	N24	C26	120.6°	121.8°
N24	C23	H23	119.5°	119.6°
C25	N24	C26	119.7°	119.1°
N24	C25	H25	109.5°	109.5°
N24	C25	H25A	109.4°	109.5°
N24	C25	H25B	109.4°	109.4°
N24	C26	C27	120.6°	120.7°
N24	C26	H26	119.7°	119.7°
C27	C26	H26	119.7°	119.6°
C26	C27	H27	120.1°	120.4°
HN16	N16	HN1A	109.4°	111.0°
H17	C17	H17A	109.7°	109.5°
H25	C25	H25A	109.5°	109.5°
H25	C25	H25B	109.5°	109.5°
H25A	C25	H25B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N16	C17	C18	H17	120.0°	119.9°
N16	C17	C18	H17A	120.0°	120.0°
N16	C17	C18	C22	86.8°	90.0°
N16	C17	C18	C27	91.9°	90.3°
C17	N16	HN16	HN1A	120.0°	124.0°
N16	C17	H17	H17A	119.7°	120.0°
C17	C18	C22	C27	178.7°	179.8°
C17	C18	C22	C23	179.7°	180.0°
C17	C18	C27	C26	179.4°	179.7°
C18	C17	N16	HN16	180.0°	180.0°
C18	C17	N16	HN1A	60.0°	56.0°
C18	C17	H17	H17A	119.8°	120.1°
C17	C18	C22	H22	0.3°	0.1°
C17	C18	C27	H27	0.6°	0.0°
C18	C22	C23	H22	180.0°	180.0°
C18	C22	C23	N24	0.8°	0.1°
C22	C18	C27	C26	0.7°	0.5°
C22	C18	C17	H17	33.2°	30.0°
C22	C18	C17	H17A	153.2°	150.0°
C18	C22	C23	H23	179.2°	180.0°
C22	C18	C27	H27	179.3°	179.8°
C27	C18	C22	C23	1.0°	0.2°
C18	C27	C26	N24	0.1°	0.5°
C18	C27	C26	H27	180.0°	179.7°
C27	C18	C17	H17	148.1°	149.8°
C27	C18	C17	H17A	28.1°	29.7°
C27	C18	C22	H22	179.0°	179.8°
C18	C27	C26	H26	179.9°	179.7°
C22	C23	N24	H23	180.0°	179.9°
C22	C23	N24	C25	180.0°	180.0°
C22	C23	N24	C26	0.3°	0.1°
C23	N24	C25	C26	179.7°	179.9°
C23	N24	C26	C27	0.1°	0.2°
N24	C23	C22	H22	179.2°	179.9°
C23	N24	C25	H25	180.0°	89.9°
C23	N24	C25	H25A	60.0°	150.0°
C23	N24	C25	H25B	60.0°	30.0°
C23	N24	C26	H26	180.0°	180.0°
C25	N24	C26	C27	179.6°	179.7°
C25	N24	C23	H23	0.0°	0.1°
N24	C25	H25	H25A	120.0°	120.0°
N24	C25	H25	H25B	120.0°	119.9°
N24	C25	H25A	H25B	120.0°	120.0°
C25	N24	C26	H26	0.4°	0.1°
N24	C26	C27	H26	180.0°	179.8°
C26	N24	C23	H23	179.7°	180.0°
C26	N24	C25	H25	0.3°	90.0°
C26	N24	C25	H25A	120.3°	30.0°
C26	N24	C25	H25B	119.7°	150.0°
N24	C26	C27	H27	179.9°	179.7°
HN16	N16	C17	H17	60.0°	60.0°
HN16	N16	C17	H17A	60.0°	60.0°
HN1A	N16	C17	H17	60.0°	63.9°
HN1A	N16	C17	H17A	180.0°	176.1°
H22	C22	C23	H23	0.8°	0.0°
H25	C25	H25A	H25B	120.0°	120.0°
H26	C26	C27	H27	0.1°	0.0°

Definition date:	2011-03-17
Last modified:	2012-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3QTV