YCN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.48Å
C1	C2	sing	1.53Å	1.54Å
N1	C8	sing	1.47Å	1.48Å
C2	N2	sing	1.47Å	1.47Å
N2	C3	sing	1.47Å	1.48Å
C3	C4	sing	1.53Å	1.54Å
N3	C4	sing	1.47Å	1.46Å
N3	C5	sing	1.47Å	1.46Å
N4	C6	sing	1.47Å	1.45Å
N4	C7	sing	1.47Å	1.46Å
C5	C6	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
N1	HN1	sing	1.01Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
N2	HN2	sing	1.01Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
N3	HN3	sing	1.01Å	1.00Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
N4	HN4	sing	1.01Å	1.00Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	111.9°	109.4°
C1	N1	C8	112.6°	111.0°
N1	C1	H1	108.7°	109.5°
N1	C1	H1A	108.7°	109.4°
C1	N1	HN1	108.5°	111.0°
C1	C2	N2	118.3°	109.5°
C2	C1	H1	108.7°	109.5°
C2	C1	H1A	108.7°	109.5°
C1	C2	H2	106.6°	109.5°
C1	C2	H2A	106.6°	109.4°
N1	C8	C7	116.5°	109.5°
C8	N1	HN1	108.4°	111.0°
N1	C8	H8	107.2°	109.5°
N1	C8	H8A	107.2°	109.5°
C2	N2	C3	110.3°	111.0°
N2	C2	H2	106.6°	109.5°
N2	C2	H2A	106.6°	109.5°
C2	N2	HN2	109.2°	111.0°
N2	C3	C4	114.0°	109.5°
C3	N2	HN2	109.2°	111.0°
N2	C3	H3	108.0°	109.4°
N2	C3	H3A	108.0°	109.4°
C3	C4	N3	116.3°	109.5°
C4	C3	H3	108.0°	109.5°
C4	C3	H3A	108.0°	109.5°
C3	C4	H4	107.2°	109.5°
C3	C4	H4A	107.3°	109.4°
C4	N3	C5	123.6°	111.0°
C4	N3	HN3	105.0°	111.0°
N3	C4	H4	107.3°	109.5°
N3	C4	H4A	107.2°	109.4°
N3	C5	C6	113.5°	109.5°
C5	N3	HN3	105.0°	111.0°
N3	C5	H5	108.2°	109.5°
N3	C5	H5A	108.2°	109.5°
C6	N4	C7	122.8°	111.0°
N4	C6	C5	114.9°	109.5°
C6	N4	HN4	105.3°	111.0°
N4	C6	H6	107.7°	109.5°
N4	C6	H6A	107.7°	109.5°
N4	C7	C8	108.5°	109.5°
C7	N4	HN4	105.2°	111.0°
N4	C7	H7	109.8°	109.5°
N4	C7	H7A	109.8°	109.5°
C6	C5	H5	108.1°	109.5°
C6	C5	H5A	108.1°	109.5°
C5	C6	H6	107.7°	109.4°
C5	C6	H6A	107.7°	109.5°
C8	C7	H7	109.8°	109.5°
C8	C7	H7A	109.8°	109.5°
C7	C8	H8	107.2°	109.5°
C7	C8	H8A	107.2°	109.5°
H1	C1	H1A	110.2°	109.5°
H2	C2	H2A	112.2°	109.5°
H3	C3	H3A	110.9°	109.5°
H4	C4	H4A	111.6°	109.5°
H5	C5	H5A	110.8°	109.5°
H6	C6	H6A	111.2°	109.5°
H7	C7	H7A	109.1°	109.4°
H8	C8	H8A	111.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	H1	120.0°	120.0°
N1	C1	C2	H1A	120.0°	119.9°
C1	N1	C8	HN1	120.0°	124.0°
N1	C1	C2	N2	74.7°	122.7°
C1	N1	C8	C7	171.3°	128.9°
N1	C1	H1	H1A	119.0°	120.0°
N1	C1	C2	H2	165.3°	2.6°
N1	C1	C2	H2A	45.3°	117.3°
C1	N1	C8	H8	51.3°	9.0°
C1	N1	C8	H8A	68.7°	111.0°
C2	C1	N1	C8	58.9°	126.4°
C1	C2	N2	H2	120.0°	120.0°
C1	C2	N2	H2A	120.0°	120.0°
C1	C2	N2	C3	172.1°	129.0°
C2	C1	H1	H1A	119.0°	120.0°
C2	C1	N1	HN1	178.9°	109.6°
C1	C2	H2	H2A	116.4°	119.9°
C1	C2	N2	HN2	52.1°	107.0°
N1	C8	C7	N4	99.2°	124.8°
N1	C8	C7	H8	120.0°	120.0°
N1	C8	C7	H8A	120.0°	120.0°
C8	N1	C1	H1	178.9°	113.5°
C8	N1	C1	H1A	61.1°	6.5°
N1	C8	C7	H7	20.8°	4.7°
N1	C8	C7	H7A	140.7°	115.2°
N1	C8	H8	H8A	117.1°	120.0°
C2	N2	C3	HN2	120.0°	124.0°
C2	N2	C3	C4	80.1°	128.3°
N2	C2	C1	H1	45.3°	117.3°
N2	C2	C1	H1A	165.3°	2.7°
N2	C2	H2	H2A	116.4°	120.0°
C2	N2	C3	H3	159.9°	8.2°
C2	N2	C3	H3A	39.9°	111.7°
N2	C3	C4	H3	120.0°	120.0°
N2	C3	C4	H3A	120.0°	120.0°
N2	C3	C4	N3	1.9°	122.6°
C3	N2	C2	H2	67.9°	8.9°
C3	N2	C2	H2A	52.1°	111.1°
N2	C3	H3	H3A	118.1°	119.9°
N2	C3	C4	H4	118.1°	117.4°
N2	C3	C4	H4A	121.9°	2.7°
C3	C4	N3	H4	120.0°	120.0°
C3	C4	N3	H4A	120.0°	120.0°
C3	C4	N3	C5	170.8°	127.4°
C4	C3	N2	HN2	39.9°	107.7°
C4	C3	H3	H3A	118.2°	120.0°
C3	C4	N3	HN3	50.8°	3.4°
C3	C4	H4	H4A	117.2°	120.0°
C4	N3	C5	HN3	120.0°	124.0°
C4	N3	C5	C6	148.7°	128.6°
N3	C4	C3	H3	121.9°	2.6°
N3	C4	C3	H3A	118.1°	117.4°
N3	C4	H4	H4A	117.2°	120.0°
C4	N3	C5	H5	91.3°	111.4°
C4	N3	C5	H5A	28.7°	8.5°
N3	C5	C6	N4	49.6°	124.3°
N3	C5	C6	H5	120.0°	120.0°
N3	C5	C6	H5A	120.0°	120.0°
C5	N3	C4	H4	69.3°	112.6°
C5	N3	C4	H4A	50.8°	7.5°
N3	C5	H5	H5A	118.4°	120.0°
N3	C5	C6	H6	70.4°	115.8°
N3	C5	C6	H6A	169.6°	4.2°
C6	N4	C7	HN4	120.0°	124.0°
N4	C6	C5	H6	120.0°	120.0°
N4	C6	C5	H6A	120.0°	120.0°
C6	N4	C7	C8	62.2°	126.7°
N4	C6	C5	H5	70.4°	115.8°
N4	C6	C5	H5A	169.6°	4.3°
N4	C6	H6	H6A	117.7°	120.0°
C6	N4	C7	H7	177.8°	6.7°
C6	N4	C7	H7A	57.8°	113.3°
C7	N4	C6	C5	125.5°	126.9°
N4	C7	C8	H7	120.0°	120.0°
N4	C7	C8	H7A	120.0°	120.0°
C7	N4	C6	H6	5.5°	113.2°
C7	N4	C6	H6A	114.5°	6.9°
N4	C7	H7	H7A	120.4°	120.0°
N4	C7	C8	H8	20.8°	4.8°
N4	C7	C8	H8A	140.8°	115.2°
C6	C5	N3	HN3	28.7°	4.6°
C5	C6	N4	HN4	5.5°	109.2°
C6	C5	H5	H5A	118.3°	120.0°
C5	C6	H6	H6A	117.8°	120.0°
C7	C8	N1	HN1	68.7°	107.1°
C8	C7	N4	HN4	57.7°	109.3°
C8	C7	H7	H7A	120.4°	120.0°
C7	C8	H8	H8A	117.1°	120.0°
H1	C1	N1	HN1	61.1°	10.4°
H1	C1	C2	H2	74.7°	122.7°
H1	C1	C2	H2A	165.3°	2.7°
H1A	C1	N1	HN1	58.9°	130.5°
H1A	C1	C2	H2	45.3°	117.3°
H1A	C1	C2	H2A	74.7°	122.7°
HN1	N1	C8	H8	171.3°	132.9°
HN1	N1	C8	H8A	51.3°	12.9°
H2	C2	N2	HN2	172.1°	133.0°
H2A	C2	N2	HN2	67.9°	13.0°
HN2	N2	C3	H3	80.1°	132.2°
HN2	N2	C3	H3A	159.9°	12.3°
H3	C3	C4	H4	1.9°	122.6°
H3	C3	C4	H4A	118.1°	117.4°
H3A	C3	C4	H4	122.0°	2.6°
H3A	C3	C4	H4A	1.9°	122.6°
HN3	N3	C4	H4	170.7°	123.5°
HN3	N3	C4	H4A	69.2°	116.5°
HN3	N3	C5	H5	148.7°	124.6°
HN3	N3	C5	H5A	91.3°	115.4°
HN4	N4	C6	H6	114.5°	10.8°
HN4	N4	C6	H6A	125.6°	130.8°
HN4	N4	C7	H7	62.3°	130.7°
HN4	N4	C7	H7A	177.8°	10.7°
H5	C5	C6	H6	169.6°	4.2°
H5	C5	C6	H6A	49.6°	124.2°
H5A	C5	C6	H6	49.6°	124.2°
H5A	C5	C6	H6A	70.4°	115.8°
H7	C7	C8	H8	140.8°	115.3°
H7	C7	C8	H8A	99.2°	124.7°
H7A	C7	C8	H8	99.2°	124.8°
H7A	C7	C8	H8A	20.7°	4.8°

Definition date:	2010-01-20
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	3L8Y