16N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.36Å	Aromatic
C1	C6	sing	1.38Å	1.37Å	Aromatic
C2	C3	sing	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.51Å	1.49Å
C6	C5	doub	1.38Å	1.35Å	Aromatic
C7	C8	sing	1.54Å	1.52Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.36Å	Aromatic
C5	C9	sing	1.51Å	1.52Å
C8	C9	sing	1.54Å	1.52Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.08Å	1.08Å
C3	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	117.9°	120.2°
C1	C2	C3	118.5°	119.9°
C2	C1	H1	121.0°	119.9°
C1	C2	H2	120.7°	120.0°
C1	C6	C7	123.4°	130.4°
C1	C6	C5	124.2°	119.8°
C6	C1	H1	121.1°	119.9°
C2	C3	C4	122.5°	119.9°
C3	C2	H2	120.7°	120.1°
C2	C3	H10	118.7°	120.1°
C7	C6	C5	112.4°	109.8°
C6	C7	C8	101.5°	105.2°
C6	C7	H3	111.4°	110.3°
C6	C7	H4	111.4°	110.3°
C6	C5	C4	119.0°	119.8°
C6	C5	C9	112.1°	109.8°
C7	C8	C9	109.8°	102.4°
C8	C7	H3	111.4°	110.3°
C8	C7	H4	111.4°	110.3°
C7	C8	H5	109.4°	110.8°
C7	C8	H6	109.4°	110.8°
C3	C4	C5	117.7°	120.2°
C3	C4	H9	121.2°	119.9°
C4	C3	H10	118.7°	120.0°
C4	C5	C9	128.8°	130.4°
C5	C4	H9	121.1°	119.9°
C5	C9	C8	100.6°	105.2°
C5	C9	H7	111.6°	110.3°
C5	C9	H8	111.6°	110.4°
C9	C8	H5	109.4°	110.8°
C9	C8	H6	109.4°	110.8°
C8	C9	H7	111.6°	110.3°
C8	C9	H8	111.7°	110.3°
H3	C7	H4	109.5°	110.4°
H5	C8	H6	109.5°	110.9°
H7	C9	H8	109.5°	110.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.7°
C1	C2	C3	H2	180.0°	179.9°
C2	C1	C6	C7	179.5°	180.0°
C2	C1	C6	C5	2.7°	0.0°
C1	C2	C3	C4	1.6°	0.0°
C1	C2	C3	H10	178.4°	180.0°
C6	C1	C2	C3	0.7°	0.0°
C1	C6	C7	C5	177.2°	180.0°
C1	C6	C7	C8	170.0°	162.8°
C1	C6	C5	C4	2.2°	0.0°
C1	C6	C5	C9	179.2°	180.0°
C6	C1	C2	H2	179.3°	179.9°
C1	C6	C7	H3	51.2°	43.9°
C1	C6	C7	H4	71.3°	78.3°
C2	C3	C4	H10	180.0°	180.0°
C2	C3	C4	C5	2.1°	0.0°
C3	C2	C1	H1	179.3°	179.8°
C2	C3	C4	H9	177.9°	180.0°
C6	C7	C8	H3	118.7°	118.9°
C6	C7	C8	H4	118.7°	118.9°
C7	C6	C5	C4	179.3°	180.0°
C7	C6	C5	C9	2.0°	NaN°
C6	C7	C8	C9	19.0°	26.3°
C7	C6	C1	H1	0.5°	0.2°
C6	C7	H3	H4	123.7°	122.1°
C6	C7	C8	H5	101.0°	91.9°
C6	C7	C8	H6	139.1°	144.5°
C5	C6	C7	C8	12.9°	17.2°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C4	C9	178.4°	180.0°
C6	C5	C9	C8	9.8°	17.2°
C5	C6	C1	H1	177.4°	179.8°
C5	C6	C7	H3	131.6°	136.1°
C5	C6	C7	H4	105.9°	101.7°
C6	C5	C9	H7	108.8°	136.1°
C6	C5	C9	H8	128.4°	101.8°
C6	C5	C4	H9	179.7°	180.0°
C7	C8	C9	C5	17.8°	26.3°
C7	C8	C9	H5	120.0°	118.2°
C7	C8	C9	H6	120.0°	118.2°
C8	C7	H3	H4	123.7°	122.1°
C7	C8	H5	H6	119.8°	123.5°
C7	C8	C9	H7	100.8°	145.2°
C7	C8	C9	H8	136.3°	92.7°
C3	C4	C5	H9	180.0°	180.0°
C3	C4	C5	C9	178.2°	180.0°
C4	C3	C2	H2	178.4°	179.9°
C4	C5	C9	C8	168.7°	162.8°
C4	C5	C9	H7	72.8°	43.9°
C4	C5	C9	H8	50.1°	78.2°
C5	C4	C3	H10	177.9°	180.0°
C5	C9	C8	H7	118.5°	118.9°
C5	C9	C8	H8	118.5°	119.0°
C5	C9	C8	H5	102.3°	91.9°
C5	C9	C8	H6	137.8°	144.5°
C5	C9	H7	H8	124.1°	122.2°
C9	C5	C4	H9	1.9°	0.0°
C9	C8	C7	H3	137.7°	145.2°
C9	C8	C7	H4	99.7°	92.6°
C9	C8	H5	H6	119.9°	123.5°
C8	C9	H7	H8	124.2°	122.1°
H1	C1	C2	H2	0.7°	0.3°
H2	C2	C3	H10	1.6°	0.1°
H3	C7	C8	H5	17.7°	27.0°
H3	C7	C8	H6	102.3°	96.6°
H4	C7	C8	H5	140.3°	149.2°
H4	C7	C8	H6	20.3°	25.6°
H5	C8	C9	H7	139.2°	27.0°
H5	C8	C9	H8	16.3°	149.1°
H6	C8	C9	H7	19.3°	96.6°
H6	C8	C9	H8	103.7°	25.5°
H9	C4	C3	H10	2.1°	0.0°

Release date:	2013-10-30
Definition date:	2012-10-22
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	4HM4