MU7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.50Å | |
| C13 | C18 | doub | 1.40Å | 1.48Å | Aromatic |
| O3 | C12 | doub | 1.22Å | 1.22Å | |
| C12 | N1 | sing | 1.35Å | 1.33Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C11 | sing | 1.46Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| O2 | C8 | doub | 1.22Å | 1.25Å | |
| C8 | N | sing | 1.34Å | 1.34Å | |
| C8 | C9 | sing | 1.41Å | 1.49Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| N | C7 | sing | 1.38Å | 1.34Å | |
| C9 | C19 | doub | 1.36Å | 1.39Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C7 | C1 | doub | 1.39Å | 1.49Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.48Å | Aromatic |
| C19 | C6 | sing | 1.46Å | 1.39Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C4 | doub | 1.40Å | 1.49Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | O1 | sing | 1.36Å | 1.37Å | |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| C18 | I | sing | 2.09Å | 3.19Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 121.0° | 120.2° |
| C15 | C14 | C13 | 119.5° | 119.9° |
| C14 | C15 | H3 | 119.5° | 119.9° |
| C15 | C14 | H4 | 120.2° | 120.1° |
| C15 | C16 | C17 | 121.2° | 120.3° |
| C15 | C16 | H2 | 119.4° | 119.9° |
| C16 | C15 | H3 | 119.5° | 119.9° |
| C14 | C13 | C12 | 122.2° | 120.2° |
| C14 | C13 | C18 | 119.5° | 119.7° |
| C13 | C14 | H4 | 120.2° | 120.0° |
| C16 | C17 | C18 | 119.5° | 120.1° |
| C16 | C17 | H1 | 120.3° | 119.9° |
| C17 | C16 | H2 | 119.4° | 119.9° |
| C12 | C13 | C18 | 118.3° | 120.1° |
| C13 | C12 | O3 | 118.7° | 120.0° |
| C13 | C12 | N1 | 119.1° | 120.0° |
| C13 | C18 | C17 | 119.2° | 119.8° |
| C13 | C18 | I | 117.6° | 120.1° |
| O3 | C12 | N1 | 122.1° | 120.0° |
| C12 | N1 | C11 | 121.8° | 120.0° |
| C12 | N1 | H5 | 119.1° | 120.0° |
| C17 | C18 | I | 123.2° | 120.1° |
| C18 | C17 | H1 | 120.2° | 119.9° |
| N1 | C11 | C10 | 111.3° | 109.5° |
| C11 | N1 | H5 | 119.1° | 120.0° |
| N1 | C11 | H6 | 109.0° | 109.4° |
| N1 | C11 | H7 | 109.0° | 109.5° |
| C11 | C10 | C9 | 109.7° | 109.5° |
| C10 | C11 | H6 | 109.0° | 109.5° |
| C10 | C11 | H7 | 109.0° | 109.5° |
| C11 | C10 | H8 | 109.4° | 109.4° |
| C11 | C10 | H9 | 109.4° | 109.5° |
| O2 | C8 | N | 120.0° | 119.1° |
| O2 | C8 | C9 | 119.4° | 119.2° |
| N | C8 | C9 | 120.5° | 121.7° |
| C8 | N | C7 | 120.6° | 120.9° |
| C8 | N | H16 | 119.7° | 119.6° |
| C8 | C9 | C10 | 120.3° | 119.9° |
| C8 | C9 | C19 | 119.8° | 120.3° |
| C10 | C9 | C19 | 119.9° | 119.8° |
| C9 | C10 | H8 | 109.4° | 109.5° |
| C9 | C10 | H9 | 109.4° | 109.5° |
| N | C7 | C1 | 121.6° | 120.9° |
| N | C7 | C6 | 120.8° | 119.5° |
| C7 | N | H16 | 119.7° | 119.5° |
| C9 | C19 | C6 | 118.3° | 118.5° |
| C9 | C19 | H10 | 120.8° | 120.7° |
| C | O | C1 | 120.2° | 117.0° |
| O | C | H17 | 109.5° | 109.5° |
| O | C | H18 | 109.5° | 109.5° |
| O | C | H19 | 109.5° | 109.5° |
| O | C1 | C7 | 119.9° | 120.1° |
| O | C1 | C2 | 120.3° | 120.0° |
| C1 | C7 | C6 | 117.6° | 119.5° |
| C7 | C1 | C2 | 119.8° | 119.9° |
| C7 | C6 | C19 | 119.9° | 119.1° |
| C7 | C6 | C4 | 118.6° | 119.8° |
| C19 | C6 | C4 | 121.6° | 121.1° |
| C6 | C19 | H10 | 120.9° | 120.7° |
| C1 | C2 | C3 | 122.5° | 120.7° |
| C1 | C2 | H15 | 118.7° | 119.7° |
| C6 | C4 | C3 | 119.6° | 119.5° |
| C6 | C4 | O1 | 120.1° | 120.2° |
| C2 | C3 | C4 | 121.9° | 120.4° |
| C2 | C3 | H14 | 119.0° | 119.8° |
| C3 | C2 | H15 | 118.8° | 119.6° |
| C3 | C4 | O1 | 120.3° | 120.3° |
| C4 | C3 | H14 | 119.1° | 119.8° |
| C4 | O1 | C5 | 120.0° | 117.0° |
| O1 | C5 | H11 | 109.5° | 109.4° |
| O1 | C5 | H12 | 109.5° | 109.4° |
| O1 | C5 | H13 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.4° | 109.5° |
| H11 | C5 | H13 | 109.5° | 109.5° |
| H12 | C5 | H13 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.4° |
| H17 | C | H19 | 109.5° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H3 | 180.0° | 179.8° |
| C15 | C14 | C13 | H4 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C13 | C12 | 178.9° | 180.0° |
| C15 | C14 | C13 | C18 | 0.3° | 0.5° |
| C14 | C15 | C16 | H2 | 179.9° | 180.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.2° |
| C15 | C16 | C17 | H2 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H1 | 180.0° | 179.9° |
| C16 | C15 | C14 | H4 | 179.8° | 180.0° |
| C14 | C13 | C12 | C18 | 178.6° | 179.5° |
| C14 | C13 | C12 | O3 | 101.7° | 180.0° |
| C14 | C13 | C12 | N1 | 80.7° | 0.0° |
| C14 | C13 | C18 | C17 | 0.3° | 0.5° |
| C14 | C13 | C18 | I | 178.3° | 179.8° |
| C13 | C14 | C15 | H3 | 179.8° | 180.0° |
| C16 | C17 | C18 | C13 | 0.2° | 0.4° |
| C16 | C17 | C18 | H1 | 180.0° | 179.8° |
| C16 | C17 | C18 | I | 178.0° | 180.0° |
| C17 | C16 | C15 | H3 | 180.0° | 179.8° |
| C13 | C12 | O3 | N1 | 177.5° | 180.0° |
| C12 | C13 | C18 | C17 | 179.0° | 179.9° |
| C13 | C12 | N1 | C11 | 179.7° | 180.0° |
| C12 | C13 | C18 | I | 3.1° | 0.3° |
| C12 | C13 | C14 | H4 | 1.1° | 0.2° |
| C13 | C12 | N1 | H5 | 0.3° | 0.0° |
| C18 | C13 | C12 | O3 | 76.9° | 0.5° |
| C18 | C13 | C12 | N1 | 100.7° | 179.5° |
| C13 | C18 | C17 | I | 177.8° | 179.7° |
| C13 | C18 | C17 | H1 | 179.8° | 179.8° |
| C18 | C13 | C14 | H4 | 179.7° | 179.7° |
| O3 | C12 | N1 | C11 | 2.8° | 0.0° |
| O3 | C12 | N1 | H5 | 177.2° | 180.0° |
| C12 | N1 | C11 | H5 | 180.0° | 180.0° |
| C12 | N1 | C11 | C10 | 108.6° | 180.0° |
| C12 | N1 | C11 | H6 | 131.1° | 60.0° |
| C12 | N1 | C11 | H7 | 11.6° | 60.0° |
| C18 | C17 | C16 | H2 | 179.9° | 180.0° |
| N1 | C11 | C10 | H6 | 120.3° | 120.0° |
| N1 | C11 | C10 | H7 | 120.3° | 120.0° |
| N1 | C11 | C10 | C9 | 170.0° | 180.0° |
| N1 | C11 | H6 | H7 | 119.2° | 120.0° |
| N1 | C11 | C10 | H8 | 50.0° | 60.0° |
| N1 | C11 | C10 | H9 | 70.0° | 60.0° |
| C11 | C10 | C9 | C8 | 65.0° | 85.3° |
| C11 | C10 | C9 | H8 | 120.0° | 120.0° |
| C11 | C10 | C9 | H9 | 120.0° | 120.0° |
| C11 | C10 | C9 | C19 | 116.1° | 95.0° |
| C10 | C11 | N1 | H5 | 71.4° | 0.0° |
| C10 | C11 | H6 | H7 | 119.2° | 120.0° |
| C11 | C10 | H8 | H9 | 119.9° | 120.0° |
| O2 | C8 | N | C9 | 179.5° | 180.0° |
| O2 | C8 | C9 | C10 | 0.2° | 0.0° |
| O2 | C8 | N | C7 | 178.6° | 180.0° |
| O2 | C8 | C9 | C19 | 179.1° | 179.7° |
| O2 | C8 | N | H16 | 1.4° | 0.0° |
| N | C8 | C9 | C10 | 179.7° | 179.9° |
| C8 | N | C7 | H16 | 180.0° | 180.0° |
| N | C8 | C9 | C19 | 1.4° | 0.3° |
| C8 | N | C7 | C1 | 179.1° | 179.9° |
| C8 | N | C7 | C6 | 1.4° | 0.3° |
| C8 | C9 | C10 | C19 | 178.9° | 179.7° |
| C9 | C8 | N | C7 | 1.9° | 0.0° |
| C8 | C9 | C19 | C6 | 0.3° | 0.3° |
| C8 | C9 | C10 | H8 | 175.0° | 154.7° |
| C8 | C9 | C10 | H9 | 55.0° | 34.7° |
| C8 | C9 | C19 | H10 | 179.7° | 179.8° |
| C9 | C8 | N | H16 | 178.1° | 180.0° |
| C10 | C9 | C19 | C6 | 179.3° | 180.0° |
| C9 | C10 | C11 | H6 | 69.8° | 60.0° |
| C9 | C10 | C11 | H7 | 49.7° | 60.0° |
| C9 | C10 | H8 | H9 | 119.9° | 120.1° |
| C10 | C9 | C19 | H10 | 0.7° | 0.1° |
| N | C7 | C1 | O | 0.5° | 0.0° |
| N | C7 | C1 | C6 | 179.5° | 179.8° |
| N | C7 | C6 | C19 | 0.3° | 0.3° |
| N | C7 | C1 | C2 | 178.8° | 179.7° |
| N | C7 | C6 | C4 | 179.3° | 179.8° |
| C9 | C19 | C6 | C7 | 0.2° | 0.0° |
| C9 | C19 | C6 | H10 | 180.0° | 179.9° |
| C9 | C19 | C6 | C4 | 179.9° | 179.9° |
| C19 | C9 | C10 | H8 | 4.0° | 24.9° |
| C19 | C9 | C10 | H9 | 123.9° | 145.0° |
| C | O | C1 | C7 | 174.2° | 180.0° |
| C | O | C1 | C2 | 6.5° | 0.3° |
| O | C | H17 | H18 | 120.0° | 120.0° |
| O | C | H17 | H19 | 120.0° | 120.0° |
| O | C | H18 | H19 | 120.0° | 120.0° |
| O | C1 | C7 | C2 | 179.2° | 179.7° |
| O | C1 | C7 | C6 | 180.0° | 179.8° |
| O | C1 | C2 | C3 | 179.5° | 179.8° |
| O | C1 | C2 | H15 | 0.5° | 0.3° |
| C1 | O | C | H17 | 180.0° | 180.0° |
| C1 | O | C | H18 | 60.0° | 60.0° |
| C1 | O | C | H19 | 60.0° | 60.0° |
| C1 | C7 | C6 | C19 | 179.9° | 179.9° |
| C1 | C7 | C6 | C4 | 0.2° | 0.0° |
| C7 | C1 | C2 | C3 | 1.3° | 0.1° |
| C7 | C1 | C2 | H15 | 178.7° | 180.0° |
| C1 | C7 | N | H16 | 0.9° | 0.1° |
| C7 | C6 | C19 | C4 | 179.7° | 180.0° |
| C6 | C7 | C1 | C2 | 0.8° | 0.1° |
| C7 | C6 | C4 | C3 | 0.1° | 0.0° |
| C7 | C6 | C4 | O1 | 180.0° | 180.0° |
| C7 | C6 | C19 | H10 | 179.8° | 180.0° |
| C6 | C7 | N | H16 | 178.6° | 179.7° |
| C19 | C6 | C4 | C3 | 179.8° | 180.0° |
| C19 | C6 | C4 | O1 | 0.3° | 0.1° |
| C1 | C2 | C3 | H15 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.3° | 0.1° |
| C1 | C2 | C3 | H14 | 178.8° | 180.0° |
| C6 | C4 | C3 | C2 | 0.6° | 0.0° |
| C6 | C4 | C3 | O1 | 179.9° | 179.9° |
| C6 | C4 | O1 | C5 | 5.0° | 180.0° |
| C4 | C6 | C19 | H10 | 0.1° | 0.0° |
| C6 | C4 | C3 | H14 | 179.4° | 179.9° |
| C2 | C3 | C4 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | O1 | 179.5° | 179.9° |
| C3 | C4 | O1 | C5 | 174.9° | 0.0° |
| C4 | C3 | C2 | H15 | 178.7° | 180.0° |
| C4 | O1 | C5 | H11 | 180.0° | 60.0° |
| C4 | O1 | C5 | H12 | 60.0° | 60.0° |
| C4 | O1 | C5 | H13 | 60.0° | 180.0° |
| O1 | C4 | C3 | H14 | 0.5° | 0.0° |
| O1 | C5 | H11 | H12 | 120.0° | 119.9° |
| O1 | C5 | H11 | H13 | 120.0° | 120.0° |
| O1 | C5 | H12 | H13 | 120.0° | 120.0° |
| I | C18 | C17 | H1 | 2.0° | 0.1° |
| H1 | C17 | C16 | H2 | 0.1° | 0.1° |
| H2 | C16 | C15 | H3 | 0.1° | 0.2° |
| H3 | C15 | C14 | H4 | 0.2° | 0.2° |
| H5 | N1 | C11 | H6 | 48.9° | 120.0° |
| H5 | N1 | C11 | H7 | 168.3° | 120.0° |
| H6 | C11 | C10 | H8 | 170.2° | 180.0° |
| H6 | C11 | C10 | H9 | 50.3° | 60.0° |
| H7 | C11 | C10 | H8 | 70.3° | 60.0° |
| H7 | C11 | C10 | H9 | 169.7° | 180.0° |
| H11 | C5 | H12 | H13 | 120.0° | 120.1° |
| H14 | C3 | C2 | H15 | 1.3° | 0.1° |
| H17 | C | H18 | H19 | 120.0° | 120.0° |
