VOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.35Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | N9 | sing | 1.35Å | 1.36Å | Aromatic |
| C12 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
| N9 | N13 | sing | 1.40Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.40Å | 1.43Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | O15 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | F14 | sing | 1.35Å | 1.36Å | |
| O15 | C16 | sing | 1.36Å | 1.38Å | |
| O28 | C27 | doub | 1.22Å | 1.25Å | |
| C17 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C23 | sing | 1.42Å | 1.42Å | Aromatic |
| C27 | C20 | sing | 1.48Å | 1.51Å | |
| C27 | N29 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | doub | 1.41Å | 1.40Å | Aromatic |
| C25 | N26 | sing | 1.39Å | 1.34Å | |
| C25 | N24 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | N24 | sing | 1.34Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.41Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| N26 | H15 | sing | 0.97Å | 1.00Å | |
| N26 | H16 | sing | 0.97Å | 1.00Å | |
| N29 | H17 | sing | 0.97Å | 1.00Å | |
| N29 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 105.1° | 107.9° |
| C11 | C10 | N9 | 106.8° | 107.7° |
| C11 | C10 | H10 | 126.6° | 126.2° |
| C10 | C11 | H11 | 127.5° | 126.0° |
| C11 | C12 | N13 | 112.3° | 108.2° |
| C12 | C11 | H11 | 127.4° | 126.1° |
| C11 | C12 | H12 | 123.8° | 125.9° |
| C10 | N9 | N13 | 111.8° | 107.9° |
| C10 | N9 | C8 | 128.1° | 126.0° |
| N9 | C10 | H10 | 126.6° | 126.1° |
| C12 | N13 | N9 | 104.0° | 108.3° |
| N13 | C12 | H12 | 123.8° | 125.9° |
| N13 | N9 | C8 | 120.1° | 126.1° |
| N9 | C8 | C7 | 118.8° | 120.1° |
| N9 | C8 | C3 | 120.1° | 120.0° |
| C8 | C7 | C6 | 120.0° | 120.0° |
| C7 | C8 | C3 | 121.1° | 119.9° |
| C8 | C7 | H2 | 120.0° | 120.0° |
| C7 | C6 | C5 | 118.3° | 120.0° |
| C6 | C7 | H2 | 120.0° | 120.0° |
| C7 | C6 | H3 | 120.8° | 120.0° |
| C8 | C3 | C2 | 124.3° | 120.0° |
| C8 | C3 | C4 | 118.1° | 120.0° |
| C1 | C2 | C3 | 112.2° | 109.5° |
| C1 | C2 | O15 | 106.7° | 109.4° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.4° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 108.7° | 109.5° |
| C6 | C5 | C4 | 123.2° | 120.1° |
| C6 | C5 | F14 | 118.5° | 120.0° |
| C5 | C6 | H3 | 120.8° | 120.0° |
| C2 | C3 | C4 | 117.5° | 120.0° |
| C3 | C2 | O15 | 110.7° | 109.5° |
| C3 | C2 | H9 | 108.6° | 109.5° |
| C3 | C4 | C5 | 119.2° | 120.0° |
| C3 | C4 | H1 | 120.4° | 120.0° |
| C2 | O15 | C16 | 119.0° | 117.0° |
| O15 | C2 | H9 | 109.9° | 109.5° |
| C4 | C5 | F14 | 118.3° | 119.9° |
| C5 | C4 | H1 | 120.4° | 120.0° |
| O15 | C16 | C17 | 124.9° | 120.1° |
| O15 | C16 | C25 | 116.4° | 120.1° |
| O28 | C27 | C20 | 119.5° | 120.0° |
| O28 | C27 | N29 | 122.6° | 120.0° |
| C16 | C17 | C18 | 119.4° | 118.2° |
| C17 | C16 | C25 | 118.7° | 119.8° |
| C16 | C17 | H13 | 120.3° | 120.9° |
| C17 | C18 | C19 | 123.1° | 121.0° |
| C17 | C18 | C23 | 118.3° | 119.2° |
| C18 | C17 | H13 | 120.3° | 120.9° |
| C16 | C25 | N26 | 118.3° | 119.3° |
| C16 | C25 | N24 | 124.4° | 121.5° |
| C18 | C19 | C20 | 121.3° | 119.4° |
| C19 | C18 | C23 | 118.6° | 119.8° |
| C18 | C19 | H5 | 119.4° | 120.3° |
| C19 | C20 | C27 | 118.8° | 119.8° |
| C19 | C20 | C21 | 119.6° | 120.3° |
| C20 | C19 | H5 | 119.3° | 120.2° |
| C18 | C23 | N24 | 122.1° | 119.9° |
| C18 | C23 | C22 | 118.9° | 119.5° |
| C20 | C27 | N29 | 117.9° | 120.0° |
| C27 | C20 | C21 | 121.5° | 119.8° |
| C27 | N29 | H17 | 120.0° | 120.0° |
| C27 | N29 | H18 | 120.0° | 120.0° |
| C20 | C21 | C22 | 120.8° | 120.9° |
| C20 | C21 | H4 | 119.6° | 119.6° |
| N26 | C25 | N24 | 117.3° | 119.2° |
| C25 | N26 | H15 | 109.5° | 120.0° |
| C25 | N26 | H16 | 109.5° | 120.0° |
| C25 | N24 | C23 | 117.1° | 121.4° |
| N24 | C23 | C22 | 118.9° | 120.6° |
| C23 | C22 | C21 | 120.8° | 120.1° |
| C23 | C22 | H14 | 119.6° | 120.0° |
| C22 | C21 | H4 | 119.6° | 119.5° |
| C21 | C22 | H14 | 119.6° | 119.9° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H6 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H15 | N26 | H16 | 109.4° | 120.1° |
| H17 | N29 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C10 | N9 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | N13 | 0.1° | 0.0° |
| C11 | C10 | N9 | N13 | 0.7° | 0.1° |
| C11 | C10 | N9 | C8 | 179.8° | 179.7° |
| C10 | C11 | C12 | H12 | 179.9° | 179.9° |
| C12 | C11 | C10 | N9 | 0.4° | 0.1° |
| C11 | C12 | N13 | H12 | 180.0° | 180.0° |
| C11 | C12 | N13 | N9 | 0.3° | 0.0° |
| C12 | C11 | C10 | H10 | 179.6° | 180.0° |
| C10 | N9 | N13 | C12 | 0.6° | 0.1° |
| C10 | N9 | N13 | C8 | 179.6° | 179.6° |
| C10 | N9 | C8 | C7 | 104.6° | 48.9° |
| C10 | N9 | C8 | C3 | 78.2° | 131.4° |
| N9 | C10 | C11 | H11 | 179.6° | 180.0° |
| C12 | N13 | N9 | C8 | 179.8° | 179.7° |
| N13 | C12 | C11 | H11 | 179.9° | 179.9° |
| N13 | N9 | C8 | C7 | 74.9° | 130.7° |
| N13 | N9 | C8 | C3 | 102.3° | 49.0° |
| N13 | N9 | C10 | H10 | 179.3° | 180.0° |
| N9 | N13 | C12 | H12 | 179.7° | 180.0° |
| N9 | C8 | C7 | C3 | 177.1° | 179.7° |
| N9 | C8 | C7 | C6 | 175.8° | 180.0° |
| N9 | C8 | C3 | C2 | 3.3° | 0.2° |
| N9 | C8 | C3 | C4 | 176.6° | 179.7° |
| N9 | C8 | C7 | H2 | 4.2° | 0.3° |
| C8 | N9 | C10 | H10 | 0.2° | 0.3° |
| C8 | C7 | C6 | H2 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 0.9° | 0.3° |
| C7 | C8 | C3 | C2 | 179.7° | 180.0° |
| C7 | C8 | C3 | C4 | 0.5° | 0.0° |
| C8 | C7 | C6 | H3 | 179.0° | 180.0° |
| C6 | C7 | C8 | C3 | 1.3° | 0.3° |
| C7 | C6 | C5 | H3 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 0.2° | 0.1° |
| C7 | C6 | C5 | F14 | 179.9° | 180.0° |
| C8 | C3 | C2 | C1 | 100.4° | 84.1° |
| C8 | C3 | C2 | C4 | 179.9° | 179.9° |
| C8 | C3 | C2 | O15 | 140.5° | 156.0° |
| C8 | C3 | C4 | C5 | 0.6° | 0.3° |
| C8 | C3 | C4 | H1 | 179.4° | 180.0° |
| C3 | C8 | C7 | H2 | 178.7° | 179.9° |
| C8 | C3 | C2 | H9 | 19.8° | 35.9° |
| C1 | C2 | C3 | O15 | 119.1° | 119.9° |
| C1 | C2 | C3 | H9 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 79.7° | 96.0° |
| C1 | C2 | O15 | H9 | 117.7° | 120.0° |
| C1 | C2 | O15 | C16 | 160.3° | 84.7° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.1° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.2° |
| C6 | C5 | C4 | F14 | 179.6° | 179.9° |
| C6 | C5 | C4 | H1 | 179.0° | 180.0° |
| C5 | C6 | C7 | H2 | 179.1° | 180.0° |
| C3 | C2 | O15 | H9 | 120.0° | 120.1° |
| C2 | C3 | C4 | C5 | 179.2° | 179.8° |
| C3 | C2 | O15 | C16 | 77.3° | 155.3° |
| C2 | C3 | C4 | H1 | 0.8° | 0.1° |
| C3 | C2 | C1 | H6 | 180.0° | 60.0° |
| C3 | C2 | C1 | H7 | 60.0° | 60.0° |
| C3 | C2 | C1 | H8 | 60.0° | 180.0° |
| C4 | C3 | C2 | O15 | 39.4° | 24.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | F14 | 179.3° | 179.7° |
| C4 | C3 | C2 | H9 | 160.1° | 144.0° |
| C2 | O15 | C16 | C17 | 5.8° | 5.0° |
| C2 | O15 | C16 | C25 | 172.6° | 175.1° |
| O15 | C2 | C1 | H6 | 58.6° | 60.0° |
| O15 | C2 | C1 | H7 | 61.4° | 180.0° |
| O15 | C2 | C1 | H8 | 178.5° | 60.1° |
| C4 | C5 | C6 | H3 | 179.8° | 179.8° |
| F14 | C5 | C4 | H1 | 0.6° | 0.1° |
| F14 | C5 | C6 | H3 | 0.1° | 0.3° |
| O15 | C16 | C17 | C25 | 178.4° | 179.9° |
| O15 | C16 | C17 | C18 | 176.6° | 180.0° |
| O15 | C16 | C25 | N26 | 0.9° | 0.0° |
| O15 | C16 | C25 | N24 | 178.9° | 180.0° |
| C16 | O15 | C2 | H9 | 42.7° | 35.2° |
| O15 | C16 | C17 | H13 | 3.4° | 0.1° |
| O28 | C27 | C20 | C19 | 19.4° | 0.2° |
| O28 | C27 | C20 | N29 | 178.1° | 179.9° |
| O28 | C27 | C20 | C21 | 163.0° | 180.0° |
| O28 | C27 | N29 | H17 | 0.0° | 180.0° |
| O28 | C27 | N29 | H18 | 180.0° | 0.1° |
| C16 | C17 | C18 | H13 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 175.7° | 179.9° |
| C16 | C17 | C18 | C23 | 1.9° | 0.1° |
| C17 | C16 | C25 | N26 | 177.6° | 180.0° |
| C17 | C16 | C25 | N24 | 0.3° | 0.0° |
| C18 | C17 | C16 | C25 | 1.8° | 0.1° |
| C17 | C18 | C19 | C23 | 177.6° | 179.9° |
| C17 | C18 | C19 | C20 | 177.9° | 180.0° |
| C17 | C18 | C23 | N24 | 0.0° | 0.1° |
| C17 | C18 | C23 | C22 | 177.5° | 180.0° |
| C17 | C18 | C19 | H5 | 2.1° | 0.1° |
| C16 | C25 | N26 | N24 | 178.1° | 180.0° |
| C16 | C25 | N24 | C23 | 2.2° | 0.0° |
| C25 | C16 | C17 | H13 | 178.2° | 180.0° |
| C16 | C25 | N26 | H15 | 178.1° | 0.0° |
| C16 | C25 | N26 | H16 | 58.1° | 180.0° |
| C18 | C19 | C20 | H5 | 180.0° | 179.9° |
| C18 | C19 | C20 | C27 | 176.8° | 179.8° |
| C18 | C19 | C20 | C21 | 0.9° | 0.0° |
| C19 | C18 | C23 | N24 | 177.7° | 180.0° |
| C19 | C18 | C23 | C22 | 0.2° | 0.0° |
| C19 | C18 | C17 | H13 | 4.4° | 0.0° |
| C20 | C19 | C18 | C23 | 0.3° | 0.0° |
| C19 | C20 | C27 | C21 | 177.7° | 179.8° |
| C19 | C20 | C27 | N29 | 158.8° | 179.7° |
| C19 | C20 | C21 | C22 | 1.0° | 0.0° |
| C19 | C20 | C21 | H4 | 179.0° | 180.0° |
| C18 | C23 | N24 | C25 | 2.0° | 0.0° |
| C18 | C23 | N24 | C22 | 177.5° | 179.9° |
| C18 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C18 | C19 | H5 | 179.7° | 180.0° |
| C23 | C18 | C17 | H13 | 178.0° | 180.0° |
| C18 | C23 | C22 | H14 | 179.8° | 180.0° |
| C27 | C20 | C21 | C22 | 176.7° | 179.8° |
| C27 | C20 | C21 | H4 | 3.3° | 0.2° |
| C27 | C20 | C19 | H5 | 3.2° | 0.2° |
| C20 | C27 | N29 | H17 | 178.1° | 0.1° |
| C20 | C27 | N29 | H18 | 1.9° | 180.0° |
| N29 | C27 | C20 | C21 | 18.9° | 0.1° |
| C27 | N29 | H17 | H18 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.4° | 0.0° |
| C20 | C21 | C22 | H4 | 180.0° | 179.9° |
| C21 | C20 | C19 | H5 | 179.1° | 180.0° |
| C20 | C21 | C22 | H14 | 179.6° | 180.0° |
| N26 | C25 | N24 | C23 | 175.8° | 180.0° |
| C25 | N26 | H15 | H16 | 120.0° | 180.0° |
| C25 | N24 | C23 | C22 | 175.5° | 180.0° |
| N24 | C25 | N26 | H15 | 0.0° | 180.0° |
| N24 | C25 | N26 | H16 | 120.0° | 0.0° |
| N24 | C23 | C22 | C21 | 177.7° | 180.0° |
| N24 | C23 | C22 | H14 | 2.3° | 0.1° |
| C23 | C22 | C21 | H14 | 180.0° | 179.9° |
| C23 | C22 | C21 | H4 | 179.6° | 180.0° |
| H2 | C7 | C6 | H3 | 1.0° | 0.3° |
| H4 | C21 | C22 | H14 | 0.4° | 0.1° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H6 | C1 | C2 | H9 | 59.9° | 180.0° |
| H7 | C1 | C2 | H9 | 179.9° | 60.1° |
| H8 | C1 | C2 | H9 | 60.1° | 59.9° |
| H10 | C10 | C11 | H11 | 0.4° | 0.1° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
