YLL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C7 | sing | 1.43Å | 1.44Å | |
O5 | H5 | sing | 0.97Å | 0.95Å | |
C7 | C5 | sing | 1.54Å | 1.55Å | |
C7 | C1 | sing | 1.53Å | 1.54Å | |
C7 | H7 | sing | 1.10Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | C4 | sing | 1.54Å | 1.55Å | |
C5 | HA | sing | 1.10Å | 1.11Å | |
C6 | O6 | sing | 1.41Å | 1.43Å | |
C6 | H6C1 | sing | 1.09Å | 1.11Å | |
C6 | H6C2 | sing | 1.09Å | 1.12Å | |
O6 | H6 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C3 | sing | 1.53Å | 1.55Å | |
C4 | H4 | sing | 1.10Å | 1.12Å | |
O4 | HB | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C3 | H3 | sing | 1.10Å | 1.11Å | |
O3 | HC | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C1 | sing | 1.53Å | 1.50Å | |
C2 | H2 | sing | 1.10Å | 1.12Å | |
O2 | HD | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.10Å | 1.10Å | |
C1 | OXT | sing | 1.43Å | 1.44Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C7 | O5 | H5 | 110.1° | 106.3° |
O5 | C7 | C5 | 110.1° | 109.6° |
O5 | C7 | C1 | 108.6° | 108.6° |
O5 | C7 | H7 | 111.9° | 106.2° |
C5 | C7 | C1 | 115.4° | 112.5° |
C5 | C7 | H7 | 104.6° | 110.3° |
C7 | C5 | C6 | 115.0° | 110.7° |
C7 | C5 | C4 | 109.1° | 111.4° |
C7 | C5 | HA | 107.1° | 108.1° |
C1 | C7 | H7 | 106.2° | 109.5° |
C7 | C1 | C2 | 112.0° | 112.0° |
C7 | C1 | H1 | 117.3° | 110.4° |
C7 | C1 | OXT | 95.8° | 108.8° |
C6 | C5 | C4 | 112.8° | 111.3° |
C6 | C5 | HA | 102.9° | 106.2° |
C5 | C6 | O6 | 110.8° | 108.2° |
C5 | C6 | H6C1 | 111.7° | 109.5° |
C5 | C6 | H6C2 | 111.8° | 109.6° |
C4 | C5 | HA | 109.6° | 108.9° |
C5 | C4 | O4 | 112.0° | 109.9° |
C5 | C4 | C3 | 106.6° | 111.4° |
C5 | C4 | H4 | 109.4° | 108.8° |
O6 | C6 | H6C1 | 111.7° | 109.6° |
O6 | C6 | H6C2 | 111.7° | 109.7° |
C6 | O6 | H6 | 110.7° | 107.2° |
H6C1 | C6 | H6C2 | 98.6° | 110.2° |
O4 | C4 | C3 | 108.7° | 109.5° |
O4 | C4 | H4 | 107.4° | 107.6° |
C4 | O4 | HB | 112.0° | 106.5° |
C3 | C4 | H4 | 112.7° | 109.5° |
C4 | C3 | O3 | 113.3° | 109.4° |
C4 | C3 | C2 | 113.9° | 111.2° |
C4 | C3 | H3 | 102.2° | 110.6° |
O3 | C3 | C2 | 104.7° | 109.2° |
O3 | C3 | H3 | 111.9° | 107.2° |
C3 | O3 | HC | 113.2° | 106.4° |
C2 | C3 | H3 | 111.2° | 109.1° |
C3 | C2 | O2 | 107.6° | 109.6° |
C3 | C2 | C1 | 111.4° | 112.1° |
C3 | C2 | H2 | 109.2° | 110.2° |
O2 | C2 | C1 | 108.6° | 108.7° |
O2 | C2 | H2 | 111.9° | 106.4° |
C2 | O2 | HD | 108.6° | 106.4° |
C1 | C2 | H2 | 108.2° | 109.7° |
C2 | C1 | H1 | 102.9° | 110.8° |
C2 | C1 | OXT | 111.8° | 108.9° |
H1 | C1 | OXT | 117.5° | 105.6° |
C1 | OXT | HXT | 109.5° | 106.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C7 | C5 | C1 | 123.3° | 120.9° |
O5 | C7 | C5 | H7 | 120.4° | 116.5° |
O5 | C7 | C1 | H7 | 120.5° | 115.5° |
O5 | C7 | C5 | C6 | 58.5° | 62.3° |
O5 | C7 | C5 | C4 | 69.4° | 173.3° |
O5 | C7 | C5 | HA | 172.1° | 53.6° |
O5 | C7 | C1 | C2 | 75.4° | 173.4° |
O5 | C7 | C1 | H1 | 43.2° | 49.3° |
O5 | C7 | C1 | OXT | 168.3° | 66.2° |
H5 | O5 | C7 | C5 | 180.0° | 144.4° |
H5 | O5 | C7 | C1 | 52.8° | 92.4° |
H5 | O5 | C7 | H7 | 64.1° | 25.3° |
C5 | C7 | C1 | H7 | 115.4° | 123.0° |
C7 | C5 | C6 | C4 | 126.0° | 124.5° |
C7 | C5 | C6 | HA | 116.0° | 117.1° |
C7 | C5 | C4 | HA | 116.9° | 119.2° |
C7 | C5 | C6 | O6 | 59.1° | 179.5° |
C7 | C5 | C6 | H6C1 | 175.6° | 60.0° |
C7 | C5 | C6 | H6C2 | 66.1° | 60.9° |
C7 | C5 | C4 | O4 | 176.1° | 67.2° |
C7 | C5 | C4 | C3 | 57.3° | 54.3° |
C7 | C5 | C4 | H4 | 64.9° | 175.2° |
C5 | C7 | C1 | C2 | 48.7° | 51.9° |
C5 | C7 | C1 | H1 | 167.3° | 72.2° |
C5 | C7 | C1 | OXT | 67.6° | 172.3° |
C1 | C7 | C5 | C6 | 178.2° | 176.8° |
C1 | C7 | C5 | C4 | 54.0° | 52.4° |
C1 | C7 | C5 | HA | 64.5° | 67.3° |
C7 | C1 | C2 | C3 | 47.9° | 53.3° |
C7 | C1 | C2 | O2 | 166.3° | 174.5° |
C7 | C1 | C2 | H1 | 126.8° | 123.8° |
C7 | C1 | C2 | OXT | 106.2° | 120.3° |
C7 | C1 | C2 | H2 | 72.1° | 69.5° |
C7 | C1 | H1 | OXT | 113.4° | 117.4° |
C7 | C1 | OXT | HXT | 111.3° | 60.9° |
H7 | C7 | C5 | C6 | 61.9° | 54.2° |
H7 | C7 | C5 | C4 | 170.3° | 70.2° |
H7 | C7 | C5 | HA | 51.8° | 170.2° |
H7 | C7 | C1 | C2 | 164.1° | 71.1° |
H7 | C7 | C1 | H1 | 77.3° | 164.8° |
H7 | C7 | C1 | OXT | 47.8° | 49.3° |
C6 | C5 | C4 | HA | 114.0° | 116.7° |
C5 | C6 | O6 | H6C1 | 125.3° | 119.4° |
C5 | C6 | O6 | H6C2 | 125.3° | 119.5° |
C5 | C6 | H6C1 | H6C2 | 117.7° | 120.6° |
C5 | C6 | O6 | H6 | 180.0° | 178.5° |
C6 | C5 | C4 | O4 | 54.8° | 56.9° |
C6 | C5 | C4 | C3 | 173.6° | 178.4° |
C6 | C5 | C4 | H4 | 64.1° | 60.7° |
C4 | C5 | C6 | O6 | 66.9° | 55.0° |
C4 | C5 | C6 | H6C1 | 58.4° | 64.5° |
C4 | C5 | C6 | H6C2 | 167.9° | 174.5° |
C5 | C4 | O4 | C3 | 117.6° | 122.7° |
C5 | C4 | O4 | H4 | 120.2° | 118.3° |
C5 | C4 | C3 | H4 | 120.1° | 120.5° |
C5 | C4 | O4 | HB | 180.0° | 50.1° |
C5 | C4 | C3 | O3 | 178.8° | 64.9° |
C5 | C4 | C3 | C2 | 61.7° | 55.8° |
C5 | C4 | C3 | H3 | 58.3° | 177.2° |
HA | C5 | C6 | O6 | 175.1° | 63.4° |
HA | C5 | C6 | H6C1 | 59.6° | 177.1° |
HA | C5 | C6 | H6C2 | 49.9° | 56.2° |
HA | C5 | C4 | O4 | 59.2° | 173.6° |
HA | C5 | C4 | C3 | 59.6° | 64.9° |
HA | C5 | C4 | H4 | 178.2° | 56.0° |
O6 | C6 | H6C1 | H6C2 | 117.6° | 120.8° |
H6C1 | C6 | O6 | H6 | 54.7° | 59.1° |
H6C2 | C6 | O6 | H6 | 54.7° | 62.0° |
O4 | C4 | C3 | H4 | 118.9° | 117.8° |
O4 | C4 | C3 | O3 | 57.9° | 173.3° |
O4 | C4 | C3 | C2 | 177.3° | 66.0° |
O4 | C4 | C3 | H3 | 62.7° | 55.4° |
C3 | C4 | O4 | HB | 62.4° | 172.8° |
C4 | C3 | O3 | C2 | 124.7° | 121.9° |
C4 | C3 | O3 | H3 | 114.8° | 120.0° |
C4 | C3 | C2 | H3 | 114.8° | 122.3° |
C4 | C3 | O3 | HC | 180.0° | 22.4° |
C4 | C3 | C2 | O2 | 176.4° | 176.1° |
C4 | C3 | C2 | C1 | 57.5° | 55.3° |
C4 | C3 | C2 | H2 | 62.0° | 67.1° |
H4 | C4 | O4 | HB | 59.8° | 68.3° |
H4 | C4 | C3 | O3 | 61.1° | 55.5° |
H4 | C4 | C3 | C2 | 58.4° | 176.3° |
H4 | C4 | C3 | H3 | 178.4° | 62.3° |
O3 | C3 | C2 | H3 | 121.0° | 116.9° |
O3 | C3 | C2 | O2 | 59.4° | 55.3° |
O3 | C3 | C2 | C1 | 178.3° | 65.5° |
O3 | C3 | C2 | H2 | 62.3° | 172.1° |
C2 | C3 | O3 | HC | 55.3° | 99.6° |
C3 | C2 | O2 | C1 | 120.7° | 122.8° |
C3 | C2 | O2 | H2 | 119.9° | 119.2° |
C3 | C2 | C1 | H2 | 120.0° | 122.8° |
C3 | C2 | O2 | HD | 59.3° | 16.6° |
C3 | C2 | C1 | H1 | 174.8° | 70.6° |
C3 | C2 | C1 | OXT | 58.3° | 173.6° |
H3 | C3 | O3 | HC | 65.2° | 142.4° |
H3 | C3 | C2 | O2 | 61.6° | 61.6° |
H3 | C3 | C2 | C1 | 57.4° | 177.6° |
H3 | C3 | C2 | H2 | 176.8° | 55.2° |
O2 | C2 | C1 | H2 | 121.7° | 115.9° |
O2 | C2 | C1 | H1 | 66.9° | 50.7° |
O2 | C2 | C1 | OXT | 60.1° | 65.1° |
C1 | C2 | O2 | HD | 180.0° | 106.2° |
C2 | C1 | H1 | OXT | 123.2° | 117.9° |
C2 | C1 | OXT | HXT | 132.2° | 61.4° |
H2 | C2 | O2 | HD | 60.6° | 135.7° |
H2 | C2 | C1 | H1 | 54.8° | 166.7° |
H2 | C2 | C1 | OXT | 178.2° | 50.8° |
H1 | C1 | OXT | HXT | 13.6° | 179.5° |