AV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.41Å | 1.47Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.46Å | Aromatic |
| C1 | C10 | sing | 1.41Å | 1.47Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | N13 | sing | 1.40Å | 1.31Å | |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.41Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.41Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | N11 | sing | 1.40Å | 1.33Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| N13 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | C15 | sing | 1.51Å | 1.46Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | O22 | sing | 1.36Å | 1.36Å | |
| C17 | C18 | doub | 1.39Å | 1.47Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | O21 | sing | 1.36Å | 1.35Å | |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 118.4° | 119.9° |
| C6 | C1 | C10 | 120.7° | 119.9° |
| C1 | C6 | C5 | 117.1° | 119.0° |
| C1 | C6 | C7 | 119.9° | 119.1° |
| C2 | C1 | C10 | 120.9° | 120.3° |
| C1 | C2 | C3 | 120.8° | 119.4° |
| C1 | C2 | N13 | 118.9° | 118.7° |
| C1 | C10 | C9 | 115.9° | 119.4° |
| C1 | C10 | N11 | 119.6° | 118.7° |
| C3 | C2 | N13 | 120.3° | 121.9° |
| C2 | C3 | C4 | 119.0° | 120.4° |
| C2 | C3 | H3 | 120.5° | 119.8° |
| C2 | N13 | C12 | 121.0° | 118.0° |
| C2 | N13 | HN13 | 105.8° | 121.0° |
| C4 | C3 | H3 | 120.5° | 119.8° |
| C3 | C4 | C5 | 122.8° | 121.3° |
| C3 | C4 | H4 | 118.6° | 119.4° |
| C5 | C4 | H4 | 118.6° | 119.3° |
| C4 | C5 | C6 | 121.9° | 120.0° |
| C4 | C5 | H5 | 119.0° | 120.0° |
| C6 | C5 | H5 | 119.1° | 120.0° |
| C5 | C6 | C7 | 123.0° | 122.0° |
| C6 | C7 | C8 | 116.8° | 119.9° |
| C6 | C7 | H7 | 121.6° | 120.1° |
| C8 | C7 | H7 | 121.6° | 120.0° |
| C7 | C8 | C9 | 125.4° | 121.4° |
| C7 | C8 | H8 | 117.3° | 119.3° |
| C9 | C8 | H8 | 117.3° | 119.3° |
| C8 | C9 | C10 | 121.3° | 120.4° |
| C8 | C9 | H9 | 119.3° | 119.8° |
| C10 | C9 | H9 | 119.4° | 119.8° |
| C9 | C10 | N11 | 124.5° | 121.9° |
| C10 | N11 | C12 | 119.1° | 118.0° |
| C10 | N11 | HN11 | 106.4° | 121.0° |
| N11 | C12 | N13 | 120.5° | 108.3° |
| N11 | C12 | C15 | 124.6° | 109.7° |
| C12 | N11 | HN11 | 106.4° | 121.0° |
| N11 | C12 | H12 | 76.7° | 109.7° |
| N13 | C12 | C15 | 111.9° | 109.7° |
| C12 | N13 | HN13 | 105.8° | 121.0° |
| N13 | C12 | H12 | 111.7° | 109.8° |
| C12 | C15 | C16 | 119.0° | 119.9° |
| C12 | C15 | C20 | 119.6° | 119.9° |
| C15 | C12 | H12 | 100.6° | 109.6° |
| C16 | C15 | C20 | 121.4° | 120.1° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| C15 | C20 | C19 | 120.2° | 120.1° |
| C15 | C20 | H20 | 119.9° | 119.9° |
| C17 | C16 | H16 | 119.7° | 120.0° |
| C16 | C17 | O22 | 121.9° | 120.1° |
| C16 | C17 | C18 | 116.9° | 119.8° |
| O22 | C17 | C18 | 121.2° | 120.1° |
| C17 | O22 | HO22 | 109.5° | 114.0° |
| C17 | C18 | C19 | 119.9° | 119.9° |
| C17 | C18 | O21 | 121.4° | 120.1° |
| C19 | C18 | O21 | 118.6° | 120.1° |
| C18 | C19 | C20 | 121.1° | 120.0° |
| C18 | C19 | H19 | 119.4° | 120.0° |
| C18 | O21 | HO21 | 109.5° | 114.0° |
| C20 | C19 | H19 | 119.5° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | C10 | 179.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.5° | 0.1° |
| C6 | C1 | C2 | N13 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 1.6° | 0.4° |
| C1 | C6 | C5 | C7 | 179.9° | 179.7° |
| C1 | C6 | C5 | H5 | 178.4° | 179.8° |
| C1 | C6 | C7 | C8 | 0.7° | 0.5° |
| C1 | C6 | C7 | H7 | 179.3° | 179.5° |
| C6 | C1 | C10 | C9 | 1.1° | 0.3° |
| C6 | C1 | C10 | N11 | 179.7° | 180.0° |
| C1 | C2 | C3 | N13 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 1.2° | 0.3° |
| C2 | C1 | C6 | C7 | 178.9° | 180.0° |
| C2 | C1 | C10 | C9 | 178.8° | 179.4° |
| C2 | C1 | C10 | N11 | 0.4° | 0.3° |
| C1 | C2 | N13 | C12 | 0.1° | 25.1° |
| C1 | C2 | N13 | HN13 | 119.8° | 155.0° |
| C10 | C1 | C2 | C3 | 179.6° | 179.7° |
| C10 | C1 | C2 | N13 | 0.3° | 0.3° |
| C10 | C1 | C6 | C5 | 178.9° | 180.0° |
| C10 | C1 | C6 | C7 | 1.0° | 0.3° |
| C1 | C10 | C9 | C8 | 1.0° | 0.7° |
| C1 | C10 | C9 | N11 | 179.1° | 179.7° |
| C1 | C10 | C9 | H9 | 179.0° | 179.8° |
| C1 | C10 | N11 | C12 | 1.6° | 25.0° |
| C1 | C10 | N11 | HN11 | 121.6° | 155.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | H4 | 179.6° | 179.9° |
| C3 | C2 | N13 | C12 | 179.9° | 155.0° |
| C3 | C2 | N13 | HN13 | 60.1° | 24.9° |
| N13 | C2 | C3 | C4 | 180.0° | 179.8° |
| N13 | C2 | C3 | H3 | 0.0° | 0.1° |
| C2 | N13 | C12 | N11 | 1.3° | 45.9° |
| C2 | N13 | C12 | HN13 | 120.0° | 179.9° |
| C2 | N13 | C12 | C15 | 162.4° | 73.8° |
| C2 | N13 | C12 | H12 | 85.6° | 165.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.2° |
| C3 | C4 | C5 | H5 | 178.8° | 180.0° |
| H3 | C3 | C4 | C5 | 179.7° | 180.0° |
| H3 | C3 | C4 | H4 | 0.4° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 178.6° | 179.9° |
| H4 | C4 | C5 | C6 | 178.8° | 179.8° |
| H4 | C4 | C5 | H5 | 1.2° | 0.0° |
| C5 | C6 | C7 | C8 | 179.2° | 179.8° |
| C5 | C6 | C7 | H7 | 0.8° | 0.2° |
| H5 | C5 | C6 | C7 | 1.4° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.6° | 0.1° |
| C6 | C7 | C8 | H8 | 179.4° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.8° | 0.5° |
| C7 | C8 | C9 | H9 | 179.1° | 179.9° |
| H7 | C7 | C8 | C9 | 179.4° | 179.9° |
| H7 | C7 | C8 | H8 | 0.6° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 179.6° |
| C8 | C9 | C10 | N11 | 179.8° | 179.6° |
| H8 | C8 | C9 | C10 | 179.2° | 179.5° |
| H8 | C8 | C9 | H9 | 0.9° | 0.1° |
| C9 | C10 | N11 | C12 | 177.5° | 154.7° |
| C9 | C10 | N11 | HN11 | 57.5° | 25.3° |
| H9 | C9 | C10 | N11 | 0.2° | 0.1° |
| C10 | N11 | C12 | HN11 | 120.0° | 180.0° |
| C10 | N11 | C12 | N13 | 2.1° | 45.9° |
| C10 | N11 | C12 | C15 | 160.6° | 73.8° |
| C10 | N11 | C12 | H12 | 105.5° | 165.7° |
| N11 | C12 | N13 | C15 | 161.1° | 119.7° |
| N11 | C12 | N13 | H12 | 87.0° | 119.8° |
| N11 | C12 | C15 | H12 | 81.1° | 120.5° |
| N11 | C12 | C15 | C16 | 156.2° | 150.0° |
| N11 | C12 | C15 | C20 | 26.2° | 30.2° |
| N11 | C12 | N13 | HN13 | 118.6° | 134.2° |
| N13 | C12 | C15 | H12 | 118.8° | 120.6° |
| N13 | C12 | C15 | C16 | 4.0° | 31.2° |
| N13 | C12 | C15 | C20 | 173.7° | 149.1° |
| N13 | C12 | N11 | HN11 | 122.1° | 134.1° |
| C12 | C15 | C16 | C20 | 177.6° | 179.8° |
| C12 | C15 | C16 | C17 | 179.7° | 180.0° |
| C12 | C15 | C16 | H16 | 0.3° | 0.1° |
| C12 | C15 | C20 | C19 | 179.6° | 179.7° |
| C12 | C15 | C20 | H20 | 0.4° | 0.0° |
| C15 | C12 | N11 | HN11 | 79.4° | 106.1° |
| C15 | C12 | N13 | HN13 | 42.4° | 106.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | O22 | 178.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C15 | C20 | C19 | 2.8° | 0.5° |
| C16 | C15 | C20 | H20 | 177.2° | 179.7° |
| C16 | C15 | C12 | H12 | 122.7° | 89.5° |
| C20 | C15 | C16 | C17 | 2.1° | 0.2° |
| C20 | C15 | C16 | H16 | 177.9° | 179.8° |
| C15 | C20 | C19 | C18 | 1.9° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.8° |
| C15 | C20 | C19 | H19 | 178.1° | 179.8° |
| C20 | C15 | C12 | H12 | 54.9° | 90.3° |
| C16 | C17 | O22 | C18 | 179.5° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.1° |
| C16 | C17 | C18 | O21 | 179.3° | 180.0° |
| C16 | C17 | O22 | HO22 | 2.4° | 90.0° |
| H16 | C16 | C17 | O22 | 1.1° | 0.0° |
| H16 | C16 | C17 | C18 | 179.4° | 179.9° |
| O22 | C17 | C18 | C19 | 179.8° | 180.0° |
| O22 | C17 | C18 | O21 | 1.2° | 0.1° |
| C17 | C18 | C19 | O21 | 179.1° | 179.9° |
| C17 | C18 | C19 | C20 | 0.4° | 0.2° |
| C17 | C18 | C19 | H19 | 179.7° | 179.9° |
| C17 | C18 | O21 | HO21 | 124.3° | 89.9° |
| C18 | C17 | O22 | HO22 | 177.1° | 90.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | H20 | 178.1° | 179.7° |
| C19 | C18 | O21 | HO21 | 56.7° | 90.0° |
| O21 | C18 | C19 | C20 | 178.7° | 179.7° |
| O21 | C18 | C19 | H19 | 1.3° | 0.0° |
| H19 | C19 | C20 | H20 | 1.9° | 0.0° |
| HN11 | N11 | C12 | H12 | 14.5° | 14.3° |
| HN13 | N13 | C12 | H12 | 154.4° | 14.4° |
