MEX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N9 | C2 | sing | 1.40Å | 1.43Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| O8 | C3 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | O7 | sing | 1.36Å | 1.40Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C13 | N9 | sing | 1.35Å | 1.38Å | |
| C10 | N9 | sing | 1.39Å | 1.40Å | |
| C11 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C10 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| N12 | C11 | sing | 1.39Å | 1.39Å | |
| N12 | C13 | sing | 1.35Å | 1.40Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| O18 | C13 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.5° | 120.0° |
| C2 | C1 | H1 | 120.7° | 120.0° |
| C1 | C2 | N9 | 122.3° | 120.1° |
| C1 | C2 | C3 | 120.0° | 119.9° |
| C6 | C1 | H1 | 120.8° | 120.0° |
| C1 | C6 | C5 | 120.5° | 120.1° |
| C1 | C6 | H6 | 119.7° | 119.9° |
| N9 | C2 | C3 | 117.7° | 120.0° |
| C2 | N9 | C13 | 126.8° | 125.8° |
| C2 | N9 | C10 | 123.9° | 125.8° |
| C2 | C3 | O8 | 117.0° | 120.1° |
| C2 | C3 | C4 | 122.7° | 119.9° |
| O8 | C3 | C4 | 120.2° | 120.0° |
| C3 | O8 | HO8 | 109.5° | 114.0° |
| C3 | C4 | C5 | 116.4° | 120.0° |
| C3 | C4 | H4 | 121.8° | 120.0° |
| C5 | C4 | H4 | 121.8° | 120.0° |
| C4 | C5 | C6 | 121.7° | 120.1° |
| C4 | C5 | O7 | 119.9° | 119.9° |
| C6 | C5 | O7 | 118.3° | 120.0° |
| C5 | C6 | H6 | 119.7° | 119.9° |
| C5 | O7 | HO7 | 109.5° | 114.0° |
| C13 | N9 | C10 | 109.2° | 108.4° |
| N9 | C13 | N12 | 106.8° | 109.7° |
| N9 | C13 | O18 | 125.6° | 125.2° |
| N9 | C10 | C11 | 107.2° | 106.8° |
| N9 | C10 | C14 | 130.8° | 133.3° |
| C11 | C10 | C14 | 122.0° | 119.9° |
| C10 | C11 | C17 | 122.5° | 119.8° |
| C10 | C11 | N12 | 108.6° | 106.8° |
| C10 | C14 | C15 | 116.2° | 119.8° |
| C10 | C14 | H14 | 121.9° | 120.1° |
| C17 | C11 | N12 | 128.9° | 133.4° |
| C11 | C17 | C16 | 115.8° | 119.9° |
| C11 | C17 | H17 | 122.1° | 120.0° |
| C11 | N12 | C13 | 108.1° | 108.4° |
| C11 | N12 | HN12 | 126.0° | 125.8° |
| C13 | N12 | HN12 | 126.0° | 125.8° |
| N12 | C13 | O18 | 127.6° | 125.1° |
| C15 | C14 | H14 | 121.9° | 120.1° |
| C14 | C15 | C16 | 121.9° | 120.3° |
| C14 | C15 | H15 | 119.1° | 119.9° |
| C16 | C15 | H15 | 119.1° | 119.8° |
| C15 | C16 | C17 | 121.7° | 120.3° |
| C15 | C16 | H16 | 119.1° | 119.9° |
| C17 | C16 | H16 | 119.2° | 119.8° |
| C16 | C17 | H17 | 122.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | N9 | C3 | 179.3° | 180.0° |
| C1 | C2 | C3 | O8 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 3.8° | 0.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C2 | C1 | C6 | H6 | 179.5° | 179.7° |
| C1 | C2 | N9 | C13 | 110.5° | 90.3° |
| C1 | C2 | N9 | C10 | 65.6° | 90.0° |
| C6 | C1 | C2 | N9 | 177.4° | 180.0° |
| C6 | C1 | C2 | C3 | 1.9° | 0.1° |
| C1 | C6 | C5 | C4 | 1.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | O7 | 176.7° | 179.9° |
| H1 | C1 | C2 | N9 | 2.6° | 0.3° |
| H1 | C1 | C2 | C3 | 178.1° | 179.7° |
| H1 | C1 | C6 | C5 | 179.5° | 179.7° |
| H1 | C1 | C6 | H6 | 0.5° | 0.1° |
| N9 | C2 | C3 | O8 | 1.0° | 0.0° |
| N9 | C2 | C3 | C4 | 175.5° | 180.0° |
| C2 | N9 | C13 | C10 | 176.6° | 179.8° |
| C2 | N9 | C10 | C11 | 175.8° | 180.0° |
| C2 | N9 | C10 | C14 | 6.1° | 0.0° |
| C2 | N9 | C13 | N12 | 175.0° | 179.8° |
| C2 | N9 | C13 | O18 | 2.7° | 0.3° |
| C2 | C3 | O8 | C4 | 176.6° | 180.0° |
| C2 | C3 | C4 | C5 | 3.0° | 0.0° |
| C2 | C3 | C4 | H4 | 177.0° | 180.0° |
| C2 | C3 | O8 | HO8 | 180.0° | 89.9° |
| C3 | C2 | N9 | C13 | 70.2° | 89.7° |
| C3 | C2 | N9 | C10 | 113.7° | 90.0° |
| O8 | C3 | C4 | C5 | 179.4° | 180.0° |
| O8 | C3 | C4 | H4 | 0.6° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | O7 | 178.4° | 180.0° |
| C4 | C3 | O8 | HO8 | 3.4° | 90.1° |
| C4 | C5 | C6 | O7 | 177.9° | 179.9° |
| C4 | C5 | C6 | H6 | 178.8° | 179.8° |
| C4 | C5 | O7 | HO7 | 180.0° | 90.1° |
| H4 | C4 | C5 | C6 | 179.5° | 180.0° |
| H4 | C4 | C5 | O7 | 1.7° | 0.1° |
| C6 | C5 | O7 | HO7 | 2.1° | 90.0° |
| O7 | C5 | C6 | H6 | 3.3° | 0.3° |
| C13 | N9 | C10 | C11 | 0.9° | 0.3° |
| C13 | N9 | C10 | C14 | 177.2° | 179.7° |
| N9 | C13 | N12 | C11 | 1.6° | 0.5° |
| N9 | C13 | N12 | O18 | 177.7° | 179.5° |
| N9 | C13 | N12 | HN12 | 178.4° | 179.8° |
| N9 | C10 | C11 | C14 | 178.4° | 180.0° |
| N9 | C10 | C11 | C17 | 179.2° | 180.0° |
| N9 | C10 | C11 | N12 | 0.1° | 0.0° |
| C10 | N9 | C13 | N12 | 1.6° | 0.5° |
| C10 | N9 | C13 | O18 | 179.3° | 180.0° |
| N9 | C10 | C14 | C15 | 178.3° | 180.0° |
| N9 | C10 | C14 | H14 | 1.7° | 0.0° |
| C10 | C11 | C17 | N12 | 179.1° | 180.0° |
| C10 | C11 | N12 | C13 | 1.0° | 0.3° |
| C10 | C11 | N12 | HN12 | 179.0° | 180.0° |
| C11 | C10 | C14 | C15 | 0.4° | 0.0° |
| C11 | C10 | C14 | H14 | 179.6° | 180.0° |
| C10 | C11 | C17 | C16 | 0.6° | 0.0° |
| C10 | C11 | C17 | H17 | 179.4° | 180.0° |
| C14 | C10 | C11 | C17 | 0.8° | 0.0° |
| C14 | C10 | C11 | N12 | 178.4° | 180.0° |
| C10 | C14 | C15 | H14 | 180.0° | 179.9° |
| C10 | C14 | C15 | C16 | 0.3° | 0.1° |
| C10 | C14 | C15 | H15 | 179.7° | 180.0° |
| C17 | C11 | N12 | C13 | 178.2° | 179.7° |
| C17 | C11 | N12 | HN12 | 1.8° | 0.0° |
| C11 | C17 | C16 | C15 | 0.1° | 0.1° |
| C11 | C17 | C16 | H17 | 180.0° | 180.0° |
| C11 | C17 | C16 | H16 | 179.9° | 180.0° |
| C11 | N12 | C13 | HN12 | 180.0° | 179.7° |
| C11 | N12 | C13 | O18 | 179.3° | 180.0° |
| N12 | C11 | C17 | C16 | 178.6° | 180.0° |
| N12 | C11 | C17 | H17 | 1.4° | 0.0° |
| HN12 | N12 | C13 | O18 | 0.7° | 0.3° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.5° | 0.1° |
| C14 | C15 | C16 | H16 | 179.5° | 180.0° |
| H14 | C14 | C15 | C16 | 179.7° | 180.0° |
| H14 | C14 | C15 | H15 | 0.3° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| H15 | C15 | C16 | C17 | 179.5° | 180.0° |
| H15 | C15 | C16 | H16 | 0.5° | 0.1° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
