EZE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O14 | C13 | sing | 1.36Å | 1.36Å | |
C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
C10 | O11 | sing | 1.36Å | 1.36Å | |
C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
C8 | C7 | sing | 1.47Å | 1.46Å | |
O17 | C16 | sing | 1.36Å | 1.36Å | |
C6 | C7 | doub | 1.34Å | 1.32Å | |
C6 | C5 | sing | 1.47Å | 1.47Å | |
C16 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
C16 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
C18 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | O1 | sing | 1.36Å | 1.37Å | |
C4 | H21 | sing | 1.08Å | 1.08Å | |
C6 | H22 | sing | 1.08Å | 1.08Å | |
C7 | H23 | sing | 1.08Å | 1.08Å | |
C15 | H28 | sing | 1.08Å | 1.08Å | |
O1 | H19 | sing | 0.97Å | 0.95Å | |
C3 | H20 | sing | 1.08Å | 1.08Å | |
C9 | H24 | sing | 1.08Å | 1.08Å | |
O11 | H25 | sing | 0.97Å | 0.95Å | |
C12 | H26 | sing | 1.08Å | 1.08Å | |
O14 | H27 | sing | 0.97Å | 0.95Å | |
O17 | H29 | sing | 0.97Å | 0.95Å | |
C18 | H30 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O14 | C13 | C12 | 118.4° | 120.0° |
O14 | C13 | C15 | 120.3° | 119.9° |
C13 | O14 | H27 | 109.5° | 114.0° |
C12 | C13 | C15 | 121.0° | 120.1° |
C13 | C12 | C10 | 119.1° | 120.2° |
C13 | C12 | H26 | 120.4° | 119.9° |
C13 | C15 | C8 | 120.0° | 119.9° |
C13 | C15 | H28 | 120.0° | 120.0° |
C12 | C10 | O11 | 117.8° | 120.0° |
C12 | C10 | C9 | 120.4° | 120.1° |
C10 | C12 | H26 | 120.4° | 119.9° |
C15 | C8 | C9 | 118.8° | 119.8° |
C15 | C8 | C7 | 120.3° | 120.1° |
C8 | C15 | H28 | 120.0° | 120.1° |
O11 | C10 | C9 | 121.7° | 119.9° |
C10 | O11 | H25 | 109.5° | 114.0° |
C10 | C9 | C8 | 120.6° | 119.9° |
C10 | C9 | H24 | 119.7° | 120.1° |
C9 | C8 | C7 | 120.7° | 120.1° |
C8 | C9 | H24 | 119.7° | 120.1° |
C8 | C7 | C6 | 127.4° | 120.0° |
C8 | C7 | H23 | 116.3° | 120.1° |
O17 | C16 | C5 | 121.6° | 120.1° |
O17 | C16 | C18 | 117.5° | 120.1° |
C16 | O17 | H29 | 109.5° | 114.0° |
C7 | C6 | C5 | 124.4° | 120.0° |
C7 | C6 | H22 | 117.8° | 120.0° |
C6 | C7 | H23 | 116.3° | 120.0° |
C6 | C5 | C16 | 120.7° | 120.2° |
C6 | C5 | C4 | 121.4° | 120.1° |
C5 | C6 | H22 | 117.8° | 120.0° |
C5 | C16 | C18 | 120.8° | 119.8° |
C16 | C5 | C4 | 117.9° | 119.7° |
C16 | C18 | C2 | 120.0° | 120.0° |
C16 | C18 | H30 | 120.0° | 120.0° |
C5 | C4 | C3 | 121.2° | 120.0° |
C5 | C4 | H21 | 119.4° | 120.1° |
C18 | C2 | C3 | 120.1° | 120.3° |
C18 | C2 | O1 | 118.0° | 119.8° |
C2 | C18 | H30 | 120.0° | 120.0° |
C4 | C3 | C2 | 119.9° | 120.2° |
C3 | C4 | H21 | 119.3° | 120.0° |
C4 | C3 | H20 | 120.0° | 119.9° |
C3 | C2 | O1 | 121.9° | 119.9° |
C2 | C3 | H20 | 120.1° | 119.8° |
C2 | O1 | H19 | 109.5° | 113.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O14 | C13 | C12 | C15 | 174.0° | 179.1° |
O14 | C13 | C12 | C10 | 173.4° | 180.0° |
O14 | C13 | C15 | C8 | 170.4° | 179.7° |
O14 | C13 | C15 | H28 | 9.6° | 0.3° |
O14 | C13 | C12 | H26 | 6.6° | 0.9° |
C13 | C12 | C10 | H26 | 180.0° | 179.1° |
C12 | C13 | C15 | C8 | 3.5° | 0.5° |
C13 | C12 | C10 | O11 | 174.2° | 179.5° |
C13 | C12 | C10 | C9 | 1.9° | 0.6° |
C12 | C13 | C15 | H28 | 176.5° | 179.4° |
C12 | C13 | O14 | H27 | 180.0° | 90.0° |
C15 | C13 | C12 | C10 | 0.7° | 0.9° |
C13 | C15 | C8 | H28 | 180.0° | 179.9° |
C13 | C15 | C8 | C9 | 3.8° | 0.0° |
C13 | C15 | C8 | C7 | 170.9° | 179.7° |
C15 | C13 | C12 | H26 | 179.4° | 180.0° |
C15 | C13 | O14 | H27 | 5.9° | 89.1° |
C12 | C10 | O11 | C9 | 176.0° | 179.9° |
C12 | C10 | C9 | C8 | 1.6° | 0.0° |
C12 | C10 | C9 | H24 | 178.4° | 180.0° |
C12 | C10 | O11 | H25 | 180.0° | 90.0° |
C15 | C8 | C9 | C10 | 1.2° | 0.3° |
C15 | C8 | C9 | C7 | 174.6° | 179.7° |
C15 | C8 | C7 | C6 | 1.8° | 0.2° |
C15 | C8 | C7 | H23 | 178.2° | 179.7° |
C15 | C8 | C9 | H24 | 178.8° | 179.7° |
O11 | C10 | C9 | C8 | 174.3° | 179.9° |
O11 | C10 | C9 | H24 | 5.7° | 0.1° |
O11 | C10 | C12 | H26 | 5.8° | 0.4° |
C10 | C9 | C8 | H24 | 180.0° | 180.0° |
C10 | C9 | C8 | C7 | 173.4° | 180.0° |
C9 | C10 | O11 | H25 | 4.0° | 89.9° |
C9 | C10 | C12 | H26 | 178.1° | 179.7° |
C9 | C8 | C7 | C6 | 176.3° | 179.9° |
C9 | C8 | C7 | H23 | 3.7° | 0.0° |
C9 | C8 | C15 | H28 | 176.2° | 180.0° |
C8 | C7 | C6 | H23 | 180.0° | 179.9° |
C8 | C7 | C6 | C5 | 177.8° | 180.0° |
C8 | C7 | C6 | H22 | 2.2° | 0.1° |
C7 | C8 | C15 | H28 | 9.1° | 0.3° |
C7 | C8 | C9 | H24 | 6.6° | 0.0° |
O17 | C16 | C5 | C6 | 3.3° | 0.0° |
O17 | C16 | C5 | C18 | 176.8° | 180.0° |
O17 | C16 | C5 | C4 | 175.6° | 180.0° |
O17 | C16 | C18 | C2 | 176.3° | 179.8° |
O17 | C16 | C18 | H30 | 3.6° | 0.0° |
C7 | C6 | C5 | H22 | 180.0° | 179.9° |
C7 | C6 | C5 | C16 | 175.3° | 179.9° |
C7 | C6 | C5 | C4 | 3.5° | 0.0° |
C6 | C5 | C16 | C4 | 178.8° | 180.0° |
C6 | C5 | C16 | C18 | 179.9° | 180.0° |
C6 | C5 | C4 | C3 | 179.6° | 180.0° |
C6 | C5 | C4 | H21 | 0.4° | 0.3° |
C5 | C6 | C7 | H23 | 2.2° | 0.1° |
C5 | C16 | C18 | C2 | 0.6° | 0.3° |
C16 | C5 | C4 | C3 | 0.8° | 0.0° |
C16 | C5 | C4 | H21 | 179.2° | 179.7° |
C16 | C5 | C6 | H22 | 4.7° | 0.0° |
C5 | C16 | O17 | H29 | 180.0° | 90.0° |
C5 | C16 | C18 | H30 | 179.4° | 180.0° |
C18 | C16 | C5 | C4 | 1.3° | 0.0° |
C16 | C18 | C2 | H30 | 180.0° | 179.7° |
C16 | C18 | C2 | C3 | 0.5° | 0.6° |
C16 | C18 | C2 | O1 | 179.2° | 179.9° |
C18 | C16 | O17 | H29 | 3.1° | 90.0° |
C5 | C4 | C3 | H21 | 180.0° | 179.7° |
C5 | C4 | C3 | C2 | 0.3° | 0.3° |
C4 | C5 | C6 | H22 | 176.5° | 180.0° |
C5 | C4 | C3 | H20 | 179.7° | 179.7° |
C18 | C2 | C3 | C4 | 1.0° | 0.6° |
C18 | C2 | C3 | O1 | 179.7° | 179.4° |
C18 | C2 | O1 | H19 | 180.0° | 90.6° |
C18 | C2 | C3 | H20 | 179.0° | 179.5° |
C4 | C3 | C2 | H20 | 180.0° | 180.0° |
C4 | C3 | C2 | O1 | 178.7° | 180.0° |
C2 | C3 | C4 | H21 | 179.7° | 180.0° |
C3 | C2 | O1 | H19 | 0.3° | 90.0° |
C3 | C2 | C18 | H30 | 179.4° | 179.7° |
O1 | C2 | C3 | H20 | 1.3° | 0.1° |
O1 | C2 | C18 | H30 | 0.8° | 0.3° |
H21 | C4 | C3 | H20 | 0.3° | 0.0° |
H22 | C6 | C7 | H23 | 177.8° | 180.0° |