VBZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.42Å | 1.42Å | |
C2 | C3 | sing | 1.51Å | 1.51Å | |
C2 | C1 | sing | 1.55Å | 1.55Å | |
C3 | O3 | sing | 1.40Å | 1.40Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.45Å | 1.45Å | |
C4 | C5 | sing | 1.55Å | 1.55Å | |
C4 | C8 | sing | 1.54Å | 1.54Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | C7 | sing | 1.53Å | 1.53Å | |
C6 | O6 | sing | 1.42Å | 1.42Å | |
C7 | C1 | sing | 1.51Å | 1.51Å | |
C8 | N1 | sing | 1.48Å | 1.48Å | |
N1 | C1 | sing | 1.49Å | 1.49Å | |
N1 | C9 | sing | 1.51Å | 1.51Å | |
C9 | C10 | sing | 1.52Å | 1.52Å | |
C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
C10 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
C11 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
C14 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
O2 | H2 | sing | 0.95Å | 0.95Å | |
C2 | HA | sing | 1.10Å | 1.10Å | |
C3 | H3 | sing | 1.10Å | 1.10Å | |
C1 | H1 | sing | 1.10Å | 1.10Å | |
O3 | HB | sing | 0.95Å | 0.95Å | |
O4 | H4 | sing | 0.95Å | 0.95Å | |
C5 | H5 | sing | 1.10Å | 1.10Å | |
C8 | H8C1 | sing | 1.10Å | 1.10Å | |
C8 | H8C2 | sing | 1.10Å | 1.10Å | |
C6 | H6C1 | sing | 1.10Å | 1.10Å | |
C6 | H6C2 | sing | 1.10Å | 1.10Å | |
C7 | H7C1 | sing | 1.10Å | 1.10Å | |
C7 | H7C2 | sing | 1.10Å | 1.10Å | |
O6 | H6 | sing | 0.95Å | 0.95Å | |
C9 | H9C1 | sing | 1.10Å | 1.10Å | |
C9 | H9C2 | sing | 1.10Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C3 | 111.5° | 111.5° |
O2 | C2 | C1 | 113.7° | 113.7° |
C2 | O2 | H2 | 109.5° | 109.5° |
O2 | C2 | HA | 104.9° | 104.9° |
C3 | C2 | C1 | 109.3° | 109.3° |
C2 | C3 | O3 | 107.1° | 107.1° |
C2 | C3 | C4 | 105.7° | 105.7° |
C3 | C2 | HA | 109.8° | 109.8° |
C2 | C3 | H3 | 114.4° | 114.4° |
C2 | C1 | C7 | 106.3° | 106.3° |
C2 | C1 | N1 | 115.3° | 115.3° |
C1 | C2 | HA | 107.4° | 107.4° |
C2 | C1 | H1 | 107.8° | 107.8° |
O3 | C3 | C4 | 112.4° | 112.4° |
O3 | C3 | H3 | 108.0° | 108.0° |
C3 | O3 | HB | 109.5° | 109.5° |
C3 | C4 | O4 | 108.1° | 108.1° |
C3 | C4 | C5 | 107.0° | 107.0° |
C3 | C4 | C8 | 108.8° | 108.8° |
C4 | C3 | H3 | 109.3° | 109.4° |
O4 | C4 | C5 | 108.9° | 108.9° |
O4 | C4 | C8 | 111.0° | 111.0° |
C4 | O4 | H4 | 109.5° | 109.5° |
C5 | C4 | C8 | 112.8° | 112.8° |
C4 | C5 | C6 | 117.2° | 117.2° |
C4 | C5 | C7 | 109.3° | 109.3° |
C4 | C5 | H5 | 105.3° | 105.3° |
C4 | C8 | N1 | 109.2° | 109.2° |
C4 | C8 | H8C1 | 109.6° | 109.6° |
C4 | C8 | H8C2 | 109.6° | 109.6° |
C6 | C5 | C7 | 113.0° | 113.0° |
C5 | C6 | O6 | 108.5° | 108.5° |
C6 | C5 | H5 | 100.9° | 100.9° |
C5 | C6 | H6C1 | 109.8° | 109.8° |
C5 | C6 | H6C2 | 110.0° | 110.0° |
C5 | C7 | C1 | 105.5° | 105.5° |
C7 | C5 | H5 | 110.3° | 110.3° |
C5 | C7 | H7C1 | 110.8° | 110.8° |
C5 | C7 | H7C2 | 111.7° | 111.7° |
O6 | C6 | H6C1 | 109.8° | 109.8° |
O6 | C6 | H6C2 | 110.0° | 110.0° |
C6 | O6 | H6 | 109.5° | 109.5° |
C7 | C1 | N1 | 109.6° | 109.6° |
C7 | C1 | H1 | 113.7° | 113.7° |
C1 | C7 | H7C1 | 110.8° | 110.8° |
C1 | C7 | H7C2 | 111.7° | 111.7° |
C8 | N1 | C1 | 109.1° | 109.1° |
C8 | N1 | C9 | 114.4° | 114.4° |
N1 | C8 | H8C1 | 109.5° | 109.5° |
N1 | C8 | H8C2 | 109.6° | 109.6° |
C1 | N1 | C9 | 108.4° | 108.4° |
N1 | C1 | H1 | 104.4° | 104.4° |
N1 | C9 | C10 | 116.2° | 116.2° |
N1 | C9 | H9C1 | 107.3° | 107.3° |
N1 | C9 | H9C2 | 105.8° | 105.8° |
C9 | C10 | C11 | 121.6° | 121.6° |
C9 | C10 | C15 | 120.1° | 120.1° |
C10 | C9 | H9C1 | 107.3° | 107.3° |
C10 | C9 | H9C2 | 105.8° | 105.8° |
C11 | C10 | C15 | 118.2° | 118.2° |
C10 | C11 | C12 | 120.8° | 120.8° |
C10 | C11 | H11 | 119.6° | 119.6° |
C10 | C15 | C14 | 121.5° | 121.5° |
C10 | C15 | H15 | 119.2° | 119.2° |
C11 | C12 | C13 | 120.3° | 120.3° |
C12 | C11 | H11 | 119.6° | 119.6° |
C11 | C12 | H12 | 119.8° | 119.8° |
C12 | C13 | C14 | 119.3° | 119.3° |
C13 | C12 | H12 | 119.8° | 119.8° |
C12 | C13 | H13 | 120.4° | 120.4° |
C15 | C14 | C13 | 119.8° | 119.8° |
C14 | C15 | H15 | 119.2° | 119.2° |
C15 | C14 | H14 | 120.1° | 120.1° |
C14 | C13 | H13 | 120.4° | 120.4° |
C13 | C14 | H14 | 120.1° | 120.1° |
H8C1 | C8 | H8C2 | 109.3° | 109.3° |
H6C1 | C6 | H6C2 | 108.7° | 108.7° |
H7C1 | C7 | H7C2 | 106.5° | 106.5° |
H9C1 | C9 | H9C2 | 114.9° | 114.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C3 | C1 | 126.6° | 126.6° |
O2 | C2 | C3 | HA | 115.9° | 115.9° |
O2 | C2 | C1 | HA | 115.6° | 115.6° |
O2 | C2 | C3 | O3 | 25.0° | 25.0° |
O2 | C2 | C3 | C4 | 145.0° | 145.0° |
O2 | C2 | C1 | C7 | 158.4° | 158.4° |
O2 | C2 | C1 | N1 | 80.0° | 80.0° |
O2 | C2 | C3 | H3 | 94.7° | 94.6° |
O2 | C2 | C1 | H1 | 36.1° | 36.1° |
C3 | C2 | C1 | HA | 119.0° | 119.0° |
C2 | C3 | O3 | C4 | 115.7° | 115.7° |
C2 | C3 | O3 | H3 | 123.6° | 123.6° |
C2 | C3 | C4 | H3 | 123.6° | 123.6° |
C2 | C3 | C4 | O4 | 167.4° | 167.4° |
C2 | C3 | C4 | C5 | 50.3° | 50.3° |
C2 | C3 | C4 | C8 | 71.9° | 71.9° |
C3 | C2 | C1 | C7 | 76.3° | 76.3° |
C3 | C2 | C1 | N1 | 45.4° | 45.4° |
C3 | C2 | O2 | H2 | 142.6° | 142.6° |
C3 | C2 | C1 | H1 | 161.5° | 161.5° |
C2 | C3 | O3 | HB | 70.1° | 70.1° |
C1 | C2 | C3 | O3 | 101.6° | 101.6° |
C1 | C2 | C3 | C4 | 18.4° | 18.4° |
C2 | C1 | C7 | C5 | 52.5° | 52.5° |
C2 | C1 | C7 | N1 | 125.2° | 125.2° |
C2 | C1 | C7 | H1 | 118.4° | 118.4° |
C2 | C1 | N1 | C8 | 58.4° | 58.4° |
C2 | C1 | N1 | H1 | 118.0° | 118.1° |
C2 | C1 | N1 | C9 | 176.5° | 176.5° |
C1 | C2 | O2 | H2 | 18.5° | 18.5° |
C1 | C2 | C3 | H3 | 138.7° | 138.8° |
C2 | C1 | C7 | H7C1 | 67.5° | 67.5° |
C2 | C1 | C7 | H7C2 | 174.0° | 174.0° |
O3 | C3 | C4 | H3 | 119.9° | 119.9° |
O3 | C3 | C4 | O4 | 76.1° | 76.1° |
O3 | C3 | C4 | C5 | 166.8° | 166.8° |
O3 | C3 | C4 | C8 | 44.6° | 44.6° |
O3 | C3 | C2 | HA | 140.8° | 140.8° |
C3 | C4 | O4 | C5 | 115.9° | 115.9° |
C3 | C4 | O4 | C8 | 119.3° | 119.3° |
C3 | C4 | C5 | C8 | 119.6° | 119.6° |
C3 | C4 | C5 | C6 | 156.3° | 156.3° |
C3 | C4 | C5 | C7 | 73.4° | 73.4° |
C3 | C4 | C8 | N1 | 59.9° | 59.9° |
C4 | C3 | C2 | HA | 99.1° | 99.1° |
C4 | C3 | O3 | HB | 45.5° | 45.5° |
C3 | C4 | O4 | H4 | 0.2° | 0.2° |
C3 | C4 | C5 | H5 | 45.1° | 45.1° |
C3 | C4 | C8 | H8C1 | 179.9° | 179.9° |
C3 | C4 | C8 | H8C2 | 60.2° | 60.2° |
O4 | C4 | C5 | C8 | 123.8° | 123.8° |
O4 | C4 | C5 | C6 | 39.7° | 39.7° |
O4 | C4 | C5 | C7 | 170.0° | 170.0° |
O4 | C4 | C8 | N1 | 178.7° | 178.7° |
O4 | C4 | C3 | H3 | 43.9° | 43.9° |
O4 | C4 | C5 | H5 | 71.5° | 71.5° |
O4 | C4 | C8 | H8C1 | 61.3° | 61.3° |
O4 | C4 | C8 | H8C2 | 58.6° | 58.6° |
C4 | C5 | C6 | C7 | 128.5° | 128.5° |
C4 | C5 | C6 | H5 | 113.7° | 113.7° |
C4 | C5 | C7 | H5 | 115.4° | 115.4° |
C4 | C5 | C6 | O6 | 71.1° | 71.1° |
C4 | C5 | C7 | C1 | 16.1° | 16.1° |
C5 | C4 | C8 | N1 | 58.7° | 58.7° |
C5 | C4 | C3 | H3 | 73.3° | 73.3° |
C5 | C4 | O4 | H4 | 115.7° | 115.7° |
C5 | C4 | C8 | H8C1 | 61.3° | 61.3° |
C5 | C4 | C8 | H8C2 | 178.8° | 178.8° |
C4 | C5 | C6 | H6C1 | 168.9° | 168.9° |
C4 | C5 | C6 | H6C2 | 49.3° | 49.3° |
C4 | C5 | C7 | H7C1 | 136.1° | 136.1° |
C4 | C5 | C7 | H7C2 | 105.4° | 105.4° |
C8 | C4 | C5 | C6 | 84.1° | 84.1° |
C8 | C4 | C5 | C7 | 46.2° | 46.2° |
C4 | C8 | N1 | H8C1 | 120.0° | 120.0° |
C4 | C8 | N1 | H8C2 | 120.1° | 120.1° |
C4 | C8 | N1 | C1 | 4.3° | 4.3° |
C4 | C8 | N1 | C9 | 125.8° | 125.8° |
C8 | C4 | C3 | H3 | 164.5° | 164.5° |
C8 | C4 | O4 | H4 | 119.4° | 119.4° |
C8 | C4 | C5 | H5 | 164.7° | 164.7° |
C4 | C8 | H8C1 | H8C2 | 120.1° | 120.1° |
C6 | C5 | C7 | H5 | 112.1° | 112.1° |
C5 | C6 | O6 | H6C1 | 120.0° | 120.0° |
C5 | C6 | O6 | H6C2 | 120.4° | 120.4° |
C6 | C5 | C7 | C1 | 148.6° | 148.6° |
C5 | C6 | H6C1 | H6C2 | 120.3° | 120.3° |
C6 | C5 | C7 | H7C1 | 91.4° | 91.4° |
C6 | C5 | C7 | H7C2 | 27.1° | 27.1° |
C5 | C6 | O6 | H6 | 118.0° | 118.0° |
C7 | C5 | C6 | O6 | 57.5° | 57.5° |
C5 | C7 | C1 | H7C1 | 120.0° | 120.0° |
C5 | C7 | C1 | H7C2 | 121.5° | 121.5° |
C5 | C7 | C1 | N1 | 72.8° | 72.8° |
C5 | C7 | C1 | H1 | 170.8° | 170.9° |
C7 | C5 | C6 | H6C1 | 62.6° | 62.6° |
C7 | C5 | C6 | H6C2 | 177.9° | 177.9° |
C5 | C7 | H7C1 | H7C2 | 121.6° | 121.6° |
O6 | C6 | C5 | H5 | 175.3° | 175.3° |
O6 | C6 | H6C1 | H6C2 | 120.4° | 120.4° |
C7 | C1 | N1 | C8 | 61.4° | 61.4° |
C7 | C1 | N1 | H1 | 122.1° | 122.1° |
C7 | C1 | N1 | C9 | 63.7° | 63.7° |
C7 | C1 | C2 | HA | 42.7° | 42.7° |
C1 | C7 | C5 | H5 | 99.3° | 99.3° |
C1 | C7 | H7C1 | H7C2 | 121.6° | 121.6° |
C8 | N1 | C1 | C9 | 125.1° | 125.1° |
C8 | N1 | C9 | C10 | 50.9° | 50.9° |
C8 | N1 | C1 | H1 | 176.4° | 176.5° |
N1 | C8 | H8C1 | H8C2 | 120.1° | 120.1° |
C8 | N1 | C9 | H9C1 | 170.9° | 170.9° |
C8 | N1 | C9 | H9C2 | 66.1° | 66.1° |
C1 | N1 | C9 | C10 | 172.9° | 172.9° |
N1 | C1 | C2 | HA | 164.4° | 164.4° |
C1 | N1 | C8 | H8C1 | 115.8° | 115.8° |
C1 | N1 | C8 | H8C2 | 124.4° | 124.4° |
N1 | C1 | C7 | H7C1 | 167.2° | 167.2° |
N1 | C1 | C7 | H7C2 | 48.7° | 48.7° |
C1 | N1 | C9 | H9C1 | 67.2° | 67.2° |
C1 | N1 | C9 | H9C2 | 55.9° | 55.9° |
N1 | C9 | C10 | H9C1 | 120.0° | 120.0° |
N1 | C9 | C10 | H9C2 | 117.0° | 117.0° |
N1 | C9 | C10 | C11 | 57.1° | 57.1° |
N1 | C9 | C10 | C15 | 121.5° | 121.5° |
C9 | N1 | C1 | H1 | 58.4° | 58.4° |
C9 | N1 | C8 | H8C1 | 5.8° | 5.8° |
C9 | N1 | C8 | H8C2 | 114.1° | 114.1° |
N1 | C9 | H9C1 | H9C2 | 117.3° | 117.3° |
C9 | C10 | C11 | C15 | 178.6° | 178.6° |
C9 | C10 | C11 | C12 | 179.8° | 179.8° |
C9 | C10 | C15 | C14 | 179.4° | 179.4° |
C10 | C9 | H9C1 | H9C2 | 117.3° | 117.3° |
C9 | C10 | C11 | H11 | 0.2° | 0.2° |
C9 | C10 | C15 | H15 | 0.6° | 0.6° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 1.2° | 1.2° |
C11 | C10 | C15 | C14 | 0.8° | 0.8° |
C11 | C10 | C9 | H9C1 | 62.9° | 62.9° |
C11 | C10 | C9 | H9C2 | 174.0° | 174.0° |
C11 | C10 | C15 | H15 | 179.2° | 179.2° |
C10 | C11 | C12 | H12 | 178.7° | 178.7° |
C15 | C10 | C11 | C12 | 1.7° | 1.7° |
C10 | C15 | C14 | H15 | 180.0° | 180.0° |
C10 | C15 | C14 | C13 | 0.5° | 0.5° |
C15 | C10 | C9 | H9C1 | 118.5° | 118.5° |
C15 | C10 | C9 | H9C2 | 4.5° | 4.5° |
C15 | C10 | C11 | H11 | 178.4° | 178.4° |
C10 | C15 | C14 | H14 | 179.5° | 179.5° |
C11 | C12 | C13 | H12 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 0.1° | 0.1° |
C11 | C12 | C13 | H13 | 179.9° | 179.9° |
C12 | C13 | C14 | C15 | 0.9° | 0.9° |
C12 | C13 | C14 | H13 | 180.0° | 180.0° |
C13 | C12 | C11 | H11 | 178.8° | 178.8° |
C12 | C13 | C14 | H14 | 179.1° | 179.1° |
C15 | C14 | C13 | H14 | 180.0° | 180.0° |
C15 | C14 | C13 | H13 | 179.1° | 179.1° |
C13 | C14 | C15 | H15 | 179.5° | 179.5° |
C14 | C13 | C12 | H12 | 180.0° | 180.0° |
H2 | O2 | C2 | HA | 98.6° | 98.6° |
HA | C2 | C3 | H3 | 21.2° | 21.2° |
HA | C2 | C1 | H1 | 79.5° | 79.5° |
H3 | C3 | O3 | HB | 166.2° | 166.2° |
H1 | C1 | C7 | H7C1 | 50.8° | 50.9° |
H1 | C1 | C7 | H7C2 | 67.7° | 67.6° |
H5 | C5 | C6 | H6C1 | 55.3° | 55.3° |
H5 | C5 | C6 | H6C2 | 64.3° | 64.3° |
H5 | C5 | C7 | H7C1 | 20.7° | 20.7° |
H5 | C5 | C7 | H7C2 | 139.2° | 139.2° |
H6C1 | C6 | O6 | H6 | 2.0° | 2.0° |
H6C2 | C6 | O6 | H6 | 121.6° | 121.6° |
H11 | C11 | C12 | H12 | 1.2° | 1.2° |
H15 | C15 | C14 | H14 | 0.5° | 0.5° |
H12 | C12 | C13 | H13 | 0.0° | 0.0° |
H13 | C13 | C14 | H14 | 0.9° | 0.9° |