MUH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | N3 | sing | 1.42Å | 1.40Å | |
| C9 | C14 | doub | 1.38Å | 1.47Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.48Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.49Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | sing | 1.39Å | 1.48Å | Aromatic |
| C11 | N4 | sing | 1.41Å | 1.42Å | |
| C12 | C13 | doub | 1.40Å | 1.47Å | Aromatic |
| C12 | C15 | sing | 1.49Å | 1.46Å | |
| C13 | C14 | sing | 1.40Å | 1.48Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C15 | H153 | sing | 1.10Å | 1.10Å | |
| N3 | C8 | sing | 1.40Å | 1.36Å | |
| N3 | HN3 | sing | 1.02Å | 1.00Å | |
| C8 | C17 | sing | 1.45Å | 1.46Å | |
| C8 | O1 | doub | 1.24Å | 1.23Å | |
| C16 | C6 | sing | 1.39Å | 1.46Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.47Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C17 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.48Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | C20 | sing | 1.39Å | 1.48Å | Aromatic |
| C19 | C7 | sing | 1.49Å | 1.55Å | |
| C20 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | F3 | sing | 1.37Å | 1.33Å | |
| C7 | F1 | sing | 1.37Å | 1.32Å | |
| C7 | F2 | sing | 1.37Å | 1.34Å | |
| N4 | C5 | sing | 1.41Å | 1.42Å | |
| N4 | HN4 | sing | 1.02Å | 1.00Å | |
| C21 | C5 | sing | 1.39Å | 1.47Å | Aromatic |
| C21 | C4 | sing | 1.45Å | 1.53Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.47Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.46Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | C24 | doub | 1.39Å | 1.46Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | N5 | sing | 1.35Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| N5 | C5 | doub | 1.36Å | 1.41Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | N1 | doub | 1.35Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | C3 | sing | 1.35Å | 1.38Å | Aromatic |
| C3 | N2 | doub | 1.35Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | C4 | sing | 1.35Å | 1.44Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C9 | C14 | 116.7° | 119.1° |
| N3 | C9 | C10 | 124.0° | 119.2° |
| C9 | N3 | C8 | 129.3° | 128.4° |
| C9 | N3 | HN3 | 115.3° | 115.8° |
| C14 | C9 | C10 | 119.3° | 121.6° |
| C9 | C14 | C13 | 120.0° | 119.2° |
| C9 | C14 | H14 | 120.0° | 121.4° |
| C9 | C10 | C11 | 121.0° | 119.2° |
| C9 | C10 | H10 | 119.5° | 120.8° |
| C11 | C10 | H10 | 119.5° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.0° |
| C10 | C11 | N4 | 121.4° | 119.2° |
| C12 | C11 | N4 | 119.3° | 120.8° |
| C11 | C12 | C13 | 119.3° | 120.0° |
| C11 | C12 | C15 | 118.3° | 121.2° |
| C11 | N4 | C5 | 127.1° | 132.6° |
| C11 | N4 | HN4 | 116.4° | 113.5° |
| C13 | C12 | C15 | 122.4° | 118.8° |
| C12 | C13 | C14 | 121.1° | 120.0° |
| C12 | C13 | H13 | 119.4° | 120.6° |
| C12 | C15 | H151 | 109.5° | 110.2° |
| C12 | C15 | H152 | 109.5° | 111.2° |
| C12 | C15 | H153 | 109.5° | 111.2° |
| C14 | C13 | H13 | 119.5° | 119.4° |
| C13 | C14 | H14 | 120.0° | 119.4° |
| H151 | C15 | H152 | 109.4° | 108.6° |
| H151 | C15 | H153 | 109.5° | 108.6° |
| H152 | C15 | H153 | 109.5° | 107.0° |
| C8 | N3 | HN3 | 115.3° | 115.8° |
| N3 | C8 | C17 | 113.8° | 115.1° |
| N3 | C8 | O1 | 126.8° | 123.2° |
| C17 | C8 | O1 | 119.3° | 121.7° |
| C8 | C17 | C16 | 124.8° | 120.0° |
| C8 | C17 | C18 | 114.0° | 120.0° |
| C6 | C16 | C17 | 118.7° | 120.0° |
| C6 | C16 | H16 | 120.7° | 119.4° |
| C16 | C6 | C20 | 120.5° | 120.0° |
| C16 | C6 | H6 | 119.8° | 120.0° |
| C17 | C16 | H16 | 120.6° | 120.6° |
| C16 | C17 | C18 | 121.1° | 120.0° |
| C17 | C18 | C19 | 121.2° | 120.0° |
| C17 | C18 | H18 | 119.4° | 120.1° |
| C19 | C18 | H18 | 119.4° | 119.9° |
| C18 | C19 | C20 | 117.8° | 120.0° |
| C18 | C19 | C7 | 119.0° | 120.0° |
| C20 | C19 | C7 | 123.2° | 120.0° |
| C19 | C20 | C6 | 120.6° | 120.0° |
| C19 | C20 | H20 | 119.7° | 120.5° |
| C19 | C7 | F3 | 116.0° | 113.6° |
| C19 | C7 | F1 | 111.3° | 113.6° |
| C19 | C7 | F2 | 107.2° | 112.7° |
| C6 | C20 | H20 | 119.7° | 119.5° |
| C20 | C6 | H6 | 119.7° | 120.0° |
| F3 | C7 | F1 | 103.8° | 105.1° |
| F3 | C7 | F2 | 108.8° | 105.5° |
| F1 | C7 | F2 | 109.6° | 105.6° |
| C5 | N4 | HN4 | 116.4° | 113.9° |
| N4 | C5 | C21 | 120.8° | 119.0° |
| N4 | C5 | N5 | 119.6° | 117.7° |
| C5 | C21 | C4 | 121.9° | 122.3° |
| C5 | C21 | C22 | 114.0° | 118.3° |
| C21 | C5 | N5 | 119.6° | 123.3° |
| C4 | C21 | C22 | 124.1° | 119.4° |
| C21 | C4 | C1 | 123.0° | 120.9° |
| C21 | C4 | N2 | 119.2° | 114.9° |
| C21 | C22 | C23 | 126.1° | 119.7° |
| C21 | C22 | H22 | 117.0° | 121.1° |
| C23 | C22 | H22 | 116.9° | 119.1° |
| C22 | C23 | C24 | 115.7° | 117.9° |
| C22 | C23 | H23 | 122.1° | 121.1° |
| C24 | C23 | H23 | 122.2° | 121.1° |
| C23 | C24 | N5 | 118.8° | 124.1° |
| C23 | C24 | H24 | 120.6° | 120.8° |
| N5 | C24 | H24 | 120.6° | 115.1° |
| C24 | N5 | C5 | 125.9° | 116.7° |
| C4 | C1 | C2 | 115.8° | 115.4° |
| C4 | C1 | H1 | 122.1° | 123.2° |
| C1 | C4 | N2 | 117.7° | 124.2° |
| C2 | C1 | H1 | 122.1° | 121.4° |
| C1 | C2 | N1 | 122.3° | 123.8° |
| C1 | C2 | H2 | 118.9° | 121.0° |
| N1 | C2 | H2 | 118.8° | 115.3° |
| C2 | N1 | C3 | 124.0° | 114.9° |
| N1 | C3 | N2 | 115.3° | 126.9° |
| N1 | C3 | H3 | 122.3° | 116.5° |
| N2 | C3 | H3 | 122.3° | 116.6° |
| C3 | N2 | C4 | 124.9° | 114.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C9 | C14 | C10 | 178.5° | 179.9° |
| N3 | C9 | C10 | C11 | 178.3° | 180.0° |
| N3 | C9 | C10 | H10 | 1.8° | 0.1° |
| N3 | C9 | C14 | C13 | 177.6° | 180.0° |
| N3 | C9 | C14 | H14 | 2.4° | 0.1° |
| C9 | N3 | C8 | HN3 | 180.0° | 180.0° |
| C9 | N3 | C8 | C17 | 175.2° | 178.2° |
| C9 | N3 | C8 | O1 | 5.5° | 0.0° |
| C14 | C9 | C10 | C11 | 0.1° | 0.1° |
| C14 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C14 | C13 | C12 | 0.4° | 0.1° |
| C9 | C14 | C13 | H14 | 180.0° | 179.9° |
| C9 | C14 | C13 | H13 | 179.6° | 180.0° |
| C14 | C9 | N3 | C8 | 175.7° | 180.0° |
| C14 | C9 | N3 | HN3 | 4.3° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.1° | 0.1° |
| C9 | C10 | C11 | N4 | 176.6° | 180.0° |
| C10 | C9 | C14 | C13 | 0.8° | 0.1° |
| C10 | C9 | C14 | H14 | 179.2° | 180.0° |
| C10 | C9 | N3 | C8 | 2.7° | 0.0° |
| C10 | C9 | N3 | HN3 | 177.3° | 179.9° |
| C10 | C11 | C12 | N4 | 177.8° | 180.0° |
| C10 | C11 | C12 | C13 | 1.5° | 0.1° |
| C10 | C11 | C12 | C15 | 176.9° | 180.0° |
| C10 | C11 | N4 | C5 | 96.2° | 29.9° |
| C10 | C11 | N4 | HN4 | 83.8° | 150.1° |
| H10 | C10 | C11 | C12 | 178.9° | 179.9° |
| H10 | C10 | C11 | N4 | 3.4° | 0.1° |
| C11 | C12 | C13 | C15 | 178.4° | 179.9° |
| C11 | C12 | C13 | C14 | 0.8° | 0.1° |
| C11 | C12 | C13 | H13 | 179.2° | 180.0° |
| C11 | C12 | C15 | H151 | 167.6° | 47.9° |
| C11 | C12 | C15 | H152 | 47.7° | 168.4° |
| C11 | C12 | C15 | H153 | 72.4° | 72.5° |
| C12 | C11 | N4 | C5 | 86.1° | 150.1° |
| C12 | C11 | N4 | HN4 | 94.0° | 30.0° |
| N4 | C11 | C12 | C13 | 176.2° | 180.0° |
| N4 | C11 | C12 | C15 | 5.3° | 0.0° |
| C11 | N4 | C5 | HN4 | 180.0° | 180.0° |
| C11 | N4 | C5 | C21 | 174.4° | 150.0° |
| C11 | N4 | C5 | N5 | 5.4° | 30.2° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| C13 | C12 | C15 | H151 | 14.0° | 132.2° |
| C13 | C12 | C15 | H152 | 133.9° | 11.7° |
| C13 | C12 | C15 | H153 | 106.0° | 107.4° |
| C15 | C12 | C13 | C14 | 177.6° | 180.0° |
| C15 | C12 | C13 | H13 | 2.4° | 0.0° |
| C12 | C15 | H151 | H152 | 120.0° | 122.0° |
| C12 | C15 | H151 | H153 | 120.0° | 122.0° |
| C12 | C15 | H152 | H153 | 120.0° | 121.5° |
| H13 | C13 | C14 | H14 | 0.4° | 0.0° |
| H151 | C15 | H152 | H153 | 120.0° | 117.0° |
| N3 | C8 | C17 | O1 | 179.4° | 178.2° |
| N3 | C8 | C17 | C16 | 45.7° | 26.9° |
| N3 | C8 | C17 | C18 | 135.2° | 153.0° |
| HN3 | N3 | C8 | C17 | 4.8° | 1.8° |
| HN3 | N3 | C8 | O1 | 174.5° | 180.0° |
| C8 | C17 | C16 | C6 | 179.1° | 179.9° |
| C8 | C17 | C16 | C18 | 179.0° | 179.9° |
| C8 | C17 | C16 | H16 | 0.9° | 0.0° |
| C8 | C17 | C18 | C19 | 178.4° | 180.0° |
| C8 | C17 | C18 | H18 | 1.6° | 0.1° |
| O1 | C8 | C17 | C16 | 134.9° | 151.3° |
| O1 | C8 | C17 | C18 | 44.2° | 28.8° |
| C6 | C16 | C17 | H16 | 180.0° | 180.0° |
| C6 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C6 | C20 | C19 | 0.3° | 0.0° |
| C16 | C6 | C20 | H6 | 180.0° | 180.0° |
| C16 | C6 | C20 | H20 | 179.7° | 179.9° |
| C16 | C17 | C18 | C19 | 0.7° | 0.1° |
| C16 | C17 | C18 | H18 | 179.3° | 180.0° |
| C17 | C16 | C6 | C20 | 0.6° | 0.0° |
| C17 | C16 | C6 | H6 | 179.4° | 180.0° |
| H16 | C16 | C17 | C18 | 180.0° | 179.9° |
| H16 | C16 | C6 | C20 | 179.4° | 180.0° |
| H16 | C16 | C6 | H6 | 0.5° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 1.0° | 0.1° |
| C17 | C18 | C19 | C7 | 177.1° | 179.9° |
| C18 | C19 | C20 | C7 | 178.0° | 179.8° |
| C18 | C19 | C20 | C6 | 0.4° | 0.0° |
| C18 | C19 | C20 | H20 | 179.6° | 179.8° |
| C18 | C19 | C7 | F3 | 158.1° | 179.9° |
| C18 | C19 | C7 | F1 | 39.7° | 60.1° |
| C18 | C19 | C7 | F2 | 80.2° | 59.9° |
| H18 | C18 | C19 | C20 | 179.0° | 180.0° |
| H18 | C18 | C19 | C7 | 2.9° | 0.1° |
| C19 | C20 | C6 | H20 | 180.0° | 179.9° |
| C19 | C20 | C6 | H6 | 179.7° | 180.0° |
| C20 | C19 | C7 | F3 | 23.9° | 0.0° |
| C20 | C19 | C7 | F1 | 142.4° | 120.1° |
| C20 | C19 | C7 | F2 | 97.8° | 119.9° |
| C7 | C19 | C20 | C6 | 177.5° | 179.9° |
| C7 | C19 | C20 | H20 | 2.5° | 0.0° |
| C19 | C7 | F3 | F1 | 122.5° | 124.8° |
| C19 | C7 | F3 | F2 | 120.8° | 123.9° |
| C19 | C7 | F1 | F2 | 118.4° | 123.9° |
| H20 | C20 | C6 | H6 | 0.3° | 0.1° |
| F3 | C7 | F1 | F2 | 116.1° | 111.3° |
| N4 | C5 | C21 | N5 | 179.8° | 179.8° |
| N4 | C5 | C21 | C4 | 0.0° | 0.0° |
| N4 | C5 | C21 | C22 | 179.8° | 179.9° |
| N4 | C5 | N5 | C24 | 179.9° | 179.9° |
| HN4 | N4 | C5 | C21 | 5.6° | 30.0° |
| HN4 | N4 | C5 | N5 | 174.6° | 149.8° |
| C5 | C21 | C4 | C22 | 179.8° | 179.9° |
| C5 | C21 | C22 | C23 | 0.1° | 0.0° |
| C5 | C21 | C22 | H22 | 179.9° | 179.9° |
| C21 | C5 | N5 | C24 | 0.1° | 0.0° |
| C5 | C21 | C4 | C1 | 178.6° | 90.1° |
| C5 | C21 | C4 | N2 | 5.1° | 89.9° |
| C4 | C21 | C22 | C23 | 179.9° | 179.9° |
| C4 | C21 | C22 | H22 | 0.1° | 0.0° |
| C4 | C21 | C5 | N5 | 179.8° | 179.9° |
| C21 | C4 | C1 | N2 | 176.3° | 180.0° |
| C21 | C4 | C1 | C2 | 176.1° | 180.0° |
| C21 | C4 | C1 | H1 | 3.9° | 0.1° |
| C21 | C4 | N2 | C3 | 176.3° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 179.9° |
| C22 | C21 | C5 | N5 | 0.0° | 0.0° |
| C22 | C21 | C4 | C1 | 1.2° | 90.0° |
| C22 | C21 | C4 | N2 | 175.1° | 90.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | N5 | 0.0° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| H22 | C22 | C23 | C24 | 179.9° | 179.9° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| C23 | C24 | N5 | H24 | 180.0° | 179.9° |
| C23 | C24 | N5 | C5 | 0.1° | 0.0° |
| H23 | C23 | C24 | N5 | 180.0° | 179.9° |
| H23 | C23 | C24 | H24 | 0.0° | 0.2° |
| H24 | C24 | N5 | C5 | 179.9° | 179.9° |
| C4 | C1 | C2 | H1 | 180.0° | 179.9° |
| C4 | C1 | C2 | N1 | 0.2° | 0.1° |
| C4 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C4 | N2 | C3 | 0.1° | 0.0° |
| C1 | C2 | N1 | H2 | 180.0° | 179.9° |
| C1 | C2 | N1 | C3 | 0.0° | 0.1° |
| C2 | C1 | C4 | N2 | 0.2° | 0.0° |
| H1 | C1 | C2 | N1 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| H1 | C1 | C4 | N2 | 179.8° | 179.9° |
| C2 | N1 | C3 | N2 | 0.1° | 0.0° |
| C2 | N1 | C3 | H3 | 179.9° | 180.0° |
| H2 | C2 | N1 | C3 | 180.0° | 180.0° |
| N1 | C3 | N2 | H3 | 180.0° | 180.0° |
| N1 | C3 | N2 | C4 | 0.0° | 0.0° |
| H3 | C3 | N2 | C4 | 180.0° | 180.0° |
