V2D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.48Å | 1.52Å | |
| C17 | O19 | sing | 1.35Å | 1.38Å | |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| O8 | C3 | sing | 1.36Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| O9 | C7 | sing | 1.36Å | 1.40Å | |
| O9 | C10 | sing | 1.43Å | 1.41Å | |
| C11 | N16 | sing | 1.32Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | O19 | sing | 1.45Å | 1.38Å | |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| O8 | H11 | sing | 0.97Å | 0.95Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | C12 | 119.2° | 120.0° |
| O18 | C17 | O19 | 118.9° | 120.0° |
| C1 | C2 | C3 | 119.0° | 120.0° |
| C1 | C2 | C7 | 121.1° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C14 | C13 | C12 | 119.2° | 118.3° |
| C13 | C14 | C15 | 118.7° | 119.4° |
| C14 | C13 | H9 | 120.4° | 120.9° |
| C13 | C14 | H10 | 120.7° | 120.4° |
| C13 | C12 | C17 | 119.4° | 120.6° |
| C13 | C12 | C11 | 118.8° | 118.8° |
| C12 | C13 | H9 | 120.4° | 120.9° |
| C14 | C15 | N16 | 121.8° | 121.1° |
| C15 | C14 | H10 | 120.7° | 120.3° |
| C14 | C15 | H12 | 119.1° | 119.5° |
| C12 | C17 | O19 | 119.3° | 120.0° |
| C17 | C12 | C11 | 121.9° | 120.6° |
| C17 | O19 | C20 | 118.6° | 117.0° |
| C12 | C11 | N16 | 121.2° | 120.6° |
| C12 | C11 | C10 | 121.2° | 119.7° |
| C15 | N16 | C11 | 120.4° | 121.9° |
| N16 | C15 | H12 | 119.1° | 119.5° |
| O8 | C3 | C2 | 119.4° | 120.0° |
| O8 | C3 | C4 | 120.6° | 120.1° |
| C3 | O8 | H11 | 109.5° | 114.0° |
| C3 | C2 | C7 | 119.9° | 119.9° |
| C2 | C3 | C4 | 120.1° | 119.9° |
| C2 | C7 | O9 | 120.4° | 120.1° |
| C2 | C7 | C6 | 120.2° | 120.0° |
| C7 | O9 | C10 | 119.7° | 117.0° |
| O9 | C7 | C6 | 119.4° | 120.0° |
| O9 | C10 | C11 | 119.6° | 109.5° |
| O9 | C10 | H7 | 106.9° | 109.5° |
| O9 | C10 | H8 | 106.9° | 109.5° |
| N16 | C11 | C10 | 117.6° | 119.7° |
| C11 | C10 | H7 | 106.9° | 109.4° |
| C11 | C10 | H8 | 106.9° | 109.4° |
| C3 | C4 | C5 | 119.7° | 120.1° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| O19 | C20 | H13 | 109.5° | 109.5° |
| O19 | C20 | H14 | 109.5° | 109.5° |
| O19 | C20 | H15 | 109.5° | 109.5° |
| C7 | C6 | C5 | 119.5° | 120.0° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.1° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C6 | C5 | H5 | 119.7° | 119.9° |
| C5 | C6 | H6 | 120.2° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | C12 | C13 | 87.2° | 173.9° |
| O18 | C17 | C12 | O19 | 161.5° | 180.0° |
| O18 | C17 | C12 | C11 | 92.6° | 6.0° |
| O18 | C17 | O19 | C20 | 3.1° | 0.0° |
| C1 | C2 | C3 | O8 | 0.1° | 0.0° |
| C1 | C2 | C3 | C7 | 179.9° | 179.8° |
| C1 | C2 | C7 | O9 | 0.2° | 0.1° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C7 | C6 | 179.9° | 179.7° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C13 | C14 | C15 | H10 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.1° |
| C13 | C14 | C15 | N16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H12 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C17 | C11 | 179.8° | 179.9° |
| C13 | C12 | C17 | O19 | 111.3° | 6.1° |
| C13 | C12 | C11 | N16 | 0.1° | 0.1° |
| C13 | C12 | C11 | C10 | 179.8° | 179.7° |
| C12 | C13 | C14 | H10 | 179.9° | 179.9° |
| C14 | C15 | N16 | H12 | 180.0° | 180.0° |
| C14 | C15 | N16 | C11 | 0.2° | 0.0° |
| C15 | C14 | C13 | H9 | 179.9° | 180.0° |
| C17 | C12 | C11 | N16 | 180.0° | 180.0° |
| C17 | C12 | C11 | C10 | 0.4° | 0.3° |
| C12 | C17 | O19 | C20 | 158.4° | 179.9° |
| C17 | C12 | C13 | H9 | 0.2° | 0.1° |
| O19 | C17 | C12 | C11 | 68.9° | 173.9° |
| C17 | O19 | C20 | H13 | 180.0° | 60.0° |
| C17 | O19 | C20 | H14 | 60.0° | 180.0° |
| C17 | O19 | C20 | H15 | 60.0° | 60.0° |
| C12 | C11 | N16 | C15 | 0.3° | 0.1° |
| C12 | C11 | C10 | O9 | 36.7° | 82.8° |
| C12 | C11 | N16 | C10 | 179.6° | 179.8° |
| C12 | C11 | C10 | H7 | 84.8° | 37.2° |
| C12 | C11 | C10 | H8 | 158.1° | 157.2° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C15 | N16 | C11 | C10 | 179.9° | 179.7° |
| N16 | C15 | C14 | H10 | 180.0° | 179.9° |
| O8 | C3 | C2 | C4 | 179.9° | 180.0° |
| O8 | C3 | C2 | C7 | 179.9° | 179.8° |
| O8 | C3 | C4 | C5 | 179.9° | 180.0° |
| O8 | C3 | C4 | H4 | 0.1° | 0.0° |
| C3 | C2 | C7 | O9 | 180.0° | 179.7° |
| C3 | C2 | C7 | C6 | 0.0° | 0.5° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 89.9° | 89.9° |
| C3 | C2 | C1 | H2 | 150.1° | 150.0° |
| C3 | C2 | C1 | H3 | 30.1° | 30.1° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C2 | C3 | O8 | H11 | 180.0° | 90.0° |
| C2 | C7 | O9 | C6 | 179.9° | 179.7° |
| C2 | C7 | O9 | C10 | 177.3° | 180.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.2° |
| C2 | C7 | C6 | C5 | 0.0° | 0.5° |
| C7 | C2 | C1 | H1 | 89.9° | 90.3° |
| C7 | C2 | C1 | H2 | 30.1° | 29.8° |
| C7 | C2 | C1 | H3 | 150.1° | 149.7° |
| C2 | C7 | C6 | H6 | 180.0° | 179.6° |
| C7 | O9 | C10 | C11 | 169.4° | 180.0° |
| O9 | C7 | C6 | C5 | 179.9° | 179.7° |
| O9 | C7 | C6 | H6 | 0.1° | 0.1° |
| C7 | O9 | C10 | H7 | 48.0° | 60.0° |
| C7 | O9 | C10 | H8 | 69.2° | 60.0° |
| O9 | C10 | C11 | N16 | 143.7° | 96.9° |
| O9 | C10 | C11 | H7 | 121.4° | 120.0° |
| O9 | C10 | C11 | H8 | 121.4° | 120.0° |
| C10 | O9 | C7 | C6 | 2.6° | 0.2° |
| O9 | C10 | H7 | H8 | 115.4° | 120.1° |
| N16 | C11 | C10 | H7 | 94.9° | 143.0° |
| N16 | C11 | C10 | H8 | 22.3° | 23.1° |
| C11 | N16 | C15 | H12 | 179.8° | 180.0° |
| C11 | C10 | H7 | H8 | 115.4° | 119.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C3 | O8 | H11 | 0.1° | 90.0° |
| O19 | C20 | H13 | H14 | 120.0° | 120.0° |
| O19 | C20 | H13 | H15 | 120.0° | 120.0° |
| O19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.3° |
| C7 | C6 | C5 | H6 | 180.0° | 179.8° |
| C7 | C6 | C5 | H5 | 179.9° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H9 | C13 | C14 | H10 | 0.1° | 0.0° |
| H10 | C14 | C15 | H12 | 0.0° | 0.1° |
| H13 | C20 | H14 | H15 | 120.0° | 120.0° |
