M4U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C17 | sing | 1.34Å | 1.38Å | Aromatic |
| N5 | C16 | doub | 1.30Å | 1.32Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.35Å | Aromatic |
| C21 | C16 | sing | 1.51Å | 1.48Å | |
| C16 | N2 | sing | 1.35Å | 1.37Å | Aromatic |
| C18 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| N2 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C10 | sing | 1.48Å | 1.46Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| F1 | C20 | sing | 1.40Å | 1.32Å | |
| C15 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | N4 | sing | 1.35Å | 1.36Å | Aromatic |
| C10 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C19 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C14 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C14 | C20 | sing | 1.51Å | 1.49Å | |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C9 | sing | 1.48Å | 1.47Å | |
| C28 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | C7 | sing | 1.51Å | 1.52Å | |
| C20 | F2 | sing | 1.40Å | 1.33Å | |
| C20 | F3 | sing | 1.40Å | 1.32Å | |
| O1 | C9 | doub | 1.22Å | 1.23Å | |
| C9 | N1 | sing | 1.35Å | 1.29Å | |
| O3 | C25 | sing | 1.36Å | 1.36Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| N1 | C8 | sing | 1.46Å | 1.47Å | |
| N1 | C12 | sing | 1.47Å | 1.46Å | |
| C26 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | O2 | sing | 1.36Å | 1.36Å | |
| O2 | C27 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | N5 | C16 | 107.3° | 109.3° |
| N5 | C17 | C18 | 108.7° | 108.0° |
| N5 | C17 | H8 | 125.6° | 126.0° |
| N5 | C16 | C21 | 124.4° | 125.7° |
| N5 | C16 | N2 | 109.6° | 108.7° |
| C17 | C18 | N2 | 107.5° | 106.8° |
| C18 | C17 | H8 | 125.7° | 126.0° |
| C17 | C18 | H22 | 126.2° | 126.6° |
| C21 | C16 | N2 | 126.0° | 125.6° |
| C16 | C21 | H9 | 109.5° | 109.5° |
| C16 | C21 | H10 | 109.5° | 109.5° |
| C16 | C21 | H11 | 109.5° | 109.5° |
| C16 | N2 | C18 | 106.9° | 107.2° |
| C16 | N2 | C11 | 128.5° | 126.4° |
| C18 | N2 | C11 | 124.6° | 126.4° |
| N2 | C18 | H22 | 126.2° | 126.6° |
| N2 | C11 | C5 | 108.6° | 109.5° |
| N2 | C11 | H18 | 109.7° | 109.5° |
| N2 | C11 | H19 | 109.7° | 109.5° |
| C11 | C5 | C6 | 121.3° | 119.8° |
| C11 | C5 | C4 | 120.2° | 119.9° |
| C5 | C11 | H18 | 109.7° | 109.5° |
| C5 | C11 | H19 | 109.7° | 109.5° |
| C6 | C5 | C4 | 118.5° | 120.3° |
| C5 | C6 | C1 | 121.3° | 120.4° |
| C5 | C6 | H2 | 119.3° | 119.9° |
| C5 | C4 | C3 | 120.4° | 119.9° |
| C5 | C4 | H1 | 119.8° | 120.1° |
| C6 | C1 | C10 | 119.8° | 120.1° |
| C6 | C1 | C2 | 120.4° | 119.7° |
| C1 | C6 | H2 | 119.3° | 119.8° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C4 | C3 | C9 | 119.7° | 121.2° |
| C3 | C4 | H1 | 119.8° | 120.0° |
| C10 | C1 | C2 | 119.8° | 120.2° |
| C1 | C10 | C15 | 127.8° | 126.2° |
| C1 | C10 | C14 | 127.3° | 126.3° |
| C1 | C2 | C3 | 118.4° | 119.7° |
| C1 | C2 | C7 | 122.8° | 120.7° |
| F1 | C20 | C14 | 113.0° | 109.4° |
| F1 | C20 | F2 | 105.1° | 109.5° |
| F1 | C20 | F3 | 107.5° | 109.5° |
| C10 | C15 | N4 | 107.1° | 107.6° |
| C15 | C10 | C14 | 104.9° | 107.5° |
| C10 | C15 | H7 | 126.4° | 126.2° |
| C15 | N4 | C19 | 128.2° | 125.9° |
| C15 | N4 | N3 | 111.5° | 108.2° |
| N4 | C15 | H7 | 126.4° | 126.2° |
| C10 | C14 | N3 | 111.7° | 108.1° |
| C10 | C14 | C20 | 130.2° | 125.9° |
| C19 | N4 | N3 | 120.3° | 125.9° |
| N4 | C19 | H23 | 109.5° | 109.5° |
| N4 | C19 | H24 | 109.5° | 109.4° |
| N4 | C19 | H25 | 109.4° | 109.5° |
| N4 | N3 | C14 | 104.8° | 108.5° |
| N3 | C14 | C20 | 118.1° | 126.0° |
| C14 | C20 | F2 | 113.4° | 109.4° |
| C14 | C20 | F3 | 111.1° | 109.5° |
| C2 | C3 | C9 | 119.4° | 118.8° |
| C3 | C2 | C7 | 118.8° | 119.6° |
| C3 | C9 | O1 | 120.9° | 120.3° |
| C3 | C9 | N1 | 117.9° | 119.3° |
| C28 | O3 | C25 | 119.3° | 116.9° |
| O3 | C28 | H15 | 109.5° | 109.5° |
| O3 | C28 | H16 | 109.5° | 109.5° |
| O3 | C28 | H17 | 109.5° | 109.5° |
| C2 | C7 | C8 | 109.2° | 110.2° |
| C2 | C7 | H3 | 109.6° | 109.3° |
| C2 | C7 | H4 | 109.5° | 109.3° |
| F2 | C20 | F3 | 106.2° | 109.5° |
| O1 | C9 | N1 | 121.2° | 120.4° |
| C9 | N1 | C8 | 124.4° | 121.1° |
| C9 | N1 | C12 | 118.7° | 119.5° |
| O3 | C25 | C26 | 124.9° | 120.0° |
| O3 | C25 | C24 | 114.1° | 120.1° |
| C7 | C8 | N1 | 111.4° | 110.9° |
| C8 | C7 | H3 | 109.5° | 109.3° |
| C8 | C7 | H4 | 109.5° | 109.4° |
| C7 | C8 | H5 | 109.0° | 109.2° |
| C7 | C8 | H6 | 109.0° | 109.2° |
| C8 | N1 | C12 | 116.4° | 119.5° |
| N1 | C8 | H5 | 109.0° | 109.2° |
| N1 | C8 | H6 | 109.0° | 109.2° |
| N1 | C12 | C13 | 113.3° | 109.5° |
| N1 | C12 | H20 | 108.5° | 109.5° |
| N1 | C12 | H21 | 108.5° | 109.5° |
| C25 | C26 | C13 | 119.5° | 120.1° |
| C26 | C25 | C24 | 121.0° | 119.9° |
| C25 | C26 | H14 | 120.2° | 120.0° |
| C26 | C13 | C12 | 122.4° | 120.0° |
| C26 | C13 | C22 | 119.2° | 120.1° |
| C13 | C26 | H14 | 120.2° | 119.9° |
| C25 | C24 | C23 | 119.0° | 119.9° |
| C25 | C24 | H13 | 120.5° | 120.0° |
| C12 | C13 | C22 | 118.4° | 119.9° |
| C13 | C12 | H20 | 108.5° | 109.5° |
| C13 | C12 | H21 | 108.5° | 109.5° |
| C13 | C22 | C23 | 120.8° | 120.0° |
| C13 | C22 | H12 | 119.6° | 120.0° |
| C24 | C23 | C22 | 120.5° | 119.9° |
| C24 | C23 | O2 | 119.6° | 120.1° |
| C23 | C24 | H13 | 120.5° | 120.1° |
| C22 | C23 | O2 | 119.9° | 120.0° |
| C23 | C22 | H12 | 119.6° | 120.0° |
| C23 | O2 | C27 | 115.3° | 117.0° |
| O2 | C27 | H26 | 109.5° | 109.4° |
| O2 | C27 | H27 | 109.5° | 109.5° |
| O2 | C27 | H28 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.3° |
| H5 | C8 | H6 | 109.5° | 109.1° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.4° | 109.4° |
| H15 | C28 | H17 | 109.5° | 109.4° |
| H16 | C28 | H17 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H20 | C12 | H21 | 109.4° | 109.4° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H28 | 109.5° | 109.4° |
| H27 | C27 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C17 | C18 | H8 | 180.0° | 179.7° |
| C17 | N5 | C16 | C21 | 179.8° | 179.8° |
| C17 | N5 | C16 | N2 | 0.2° | 0.4° |
| N5 | C17 | C18 | N2 | 0.1° | 0.2° |
| N5 | C17 | C18 | H22 | 179.9° | 179.8° |
| C16 | N5 | C17 | C18 | 0.2° | 0.4° |
| N5 | C16 | C21 | N2 | 179.6° | 179.8° |
| N5 | C16 | N2 | C18 | 0.1° | 0.2° |
| N5 | C16 | N2 | C11 | 179.9° | 180.0° |
| C16 | N5 | C17 | H8 | 179.9° | 179.9° |
| N5 | C16 | C21 | H9 | 0.0° | 94.6° |
| N5 | C16 | C21 | H10 | 120.0° | 25.4° |
| N5 | C16 | C21 | H11 | 120.0° | 145.4° |
| C17 | C18 | N2 | C16 | 0.0° | 0.0° |
| C17 | C18 | N2 | H22 | 180.0° | 180.0° |
| C17 | C18 | N2 | C11 | 180.0° | 179.7° |
| C21 | C16 | N2 | C18 | 179.8° | 180.0° |
| C21 | C16 | N2 | C11 | 0.3° | 0.2° |
| C16 | C21 | H9 | H10 | 120.0° | 120.0° |
| C16 | C21 | H9 | H11 | 120.0° | 120.0° |
| C16 | C21 | H10 | H11 | 120.0° | 120.0° |
| C16 | N2 | C18 | C11 | 180.0° | 179.7° |
| C16 | N2 | C11 | C5 | 126.0° | 85.0° |
| N2 | C16 | C21 | H9 | 179.6° | 85.2° |
| N2 | C16 | C21 | H10 | 60.4° | 154.8° |
| N2 | C16 | C21 | H11 | 59.6° | 34.8° |
| C16 | N2 | C11 | H18 | 6.1° | 155.0° |
| C16 | N2 | C11 | H19 | 114.1° | 35.0° |
| C16 | N2 | C18 | H22 | 180.0° | 180.0° |
| C18 | N2 | C11 | C5 | 54.1° | 95.3° |
| N2 | C18 | C17 | H8 | 179.9° | 180.0° |
| C18 | N2 | C11 | H18 | 173.9° | 24.7° |
| C18 | N2 | C11 | H19 | 65.8° | 144.7° |
| N2 | C11 | C5 | H18 | 119.9° | 120.0° |
| N2 | C11 | C5 | H19 | 119.9° | 120.1° |
| N2 | C11 | C5 | C6 | 86.4° | 93.7° |
| N2 | C11 | C5 | C4 | 92.9° | 86.4° |
| N2 | C11 | H18 | H19 | 120.4° | 120.1° |
| C11 | N2 | C18 | H22 | 0.0° | 0.2° |
| C11 | C5 | C6 | C4 | 179.3° | 179.9° |
| C11 | C5 | C6 | C1 | 179.2° | 179.6° |
| C11 | C5 | C4 | C3 | 178.9° | 179.8° |
| C11 | C5 | C4 | H1 | 1.1° | 0.1° |
| C11 | C5 | C6 | H2 | 0.8° | 0.3° |
| C5 | C11 | H18 | H19 | 120.4° | 120.0° |
| C5 | C6 | C1 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.1° |
| C5 | C6 | C1 | C10 | 179.7° | 179.8° |
| C5 | C6 | C1 | C2 | 0.3° | 0.3° |
| C6 | C5 | C4 | H1 | 179.6° | 180.0° |
| C6 | C5 | C11 | H18 | 153.8° | 146.4° |
| C6 | C5 | C11 | H19 | 33.5° | 26.4° |
| C4 | C5 | C6 | C1 | 0.0° | 0.5° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.3° | 0.8° |
| C5 | C4 | C3 | C9 | 179.7° | 179.9° |
| C4 | C5 | C6 | H2 | 180.0° | 179.6° |
| C4 | C5 | C11 | H18 | 27.0° | 33.6° |
| C4 | C5 | C11 | H19 | 147.3° | 153.5° |
| C6 | C1 | C10 | C2 | 179.4° | 179.9° |
| C6 | C1 | C10 | C15 | 87.9° | 67.1° |
| C6 | C1 | C10 | C14 | 92.7° | 112.9° |
| C6 | C1 | C2 | C3 | 0.3° | 0.4° |
| C6 | C1 | C2 | C7 | 179.8° | 179.6° |
| C4 | C3 | C2 | C1 | 0.0° | 1.0° |
| C4 | C3 | C2 | C9 | 180.0° | 179.2° |
| C4 | C3 | C2 | C7 | 179.9° | 179.0° |
| C4 | C3 | C9 | O1 | 21.5° | 13.5° |
| C4 | C3 | C9 | N1 | 158.6° | 166.5° |
| C1 | C10 | C15 | C14 | 179.5° | 180.0° |
| C1 | C10 | C15 | N4 | 179.7° | 180.0° |
| C1 | C10 | C14 | N3 | 179.8° | 180.0° |
| C1 | C10 | C14 | C20 | 0.1° | 0.0° |
| C10 | C1 | C2 | C3 | 179.7° | 179.5° |
| C10 | C1 | C2 | C7 | 0.4° | 0.5° |
| C10 | C1 | C6 | H2 | 0.3° | 0.1° |
| C1 | C10 | C15 | H7 | 0.3° | 0.0° |
| C2 | C1 | C10 | C15 | 91.6° | 113.0° |
| C2 | C1 | C10 | C14 | 87.8° | 67.0° |
| C1 | C2 | C3 | C7 | 179.9° | 180.0° |
| C1 | C2 | C3 | C9 | 180.0° | 179.8° |
| C1 | C2 | C7 | C8 | 146.3° | 147.6° |
| C2 | C1 | C6 | H2 | 179.7° | 179.8° |
| C1 | C2 | C7 | H3 | 93.8° | 27.4° |
| C1 | C2 | C7 | H4 | 26.3° | 92.2° |
| F1 | C20 | C14 | C10 | 84.8° | 16.9° |
| F1 | C20 | C14 | N3 | 94.9° | 163.2° |
| F1 | C20 | C14 | F2 | 119.5° | 120.0° |
| F1 | C20 | C14 | F3 | 120.9° | 120.1° |
| F1 | C20 | F2 | F3 | 113.7° | 120.1° |
| C10 | C15 | N4 | H7 | 180.0° | 180.0° |
| C10 | C15 | N4 | C19 | 180.0° | 180.0° |
| C10 | C15 | N4 | N3 | 0.7° | 0.0° |
| C15 | C10 | C14 | N3 | 0.7° | 0.0° |
| C15 | C10 | C14 | C20 | 179.6° | 180.0° |
| N4 | C15 | C10 | C14 | 0.8° | 0.0° |
| C15 | N4 | C19 | N3 | 179.3° | 179.9° |
| C15 | N4 | N3 | C14 | 0.3° | 0.0° |
| C15 | N4 | C19 | H23 | 179.3° | 89.9° |
| C15 | N4 | C19 | H24 | 60.7° | 150.0° |
| C15 | N4 | C19 | H25 | 59.3° | 30.1° |
| C10 | C14 | N3 | N4 | 0.3° | 0.0° |
| C10 | C14 | N3 | C20 | 179.8° | 179.9° |
| C10 | C14 | C20 | F2 | 34.7° | 103.1° |
| C10 | C14 | C20 | F3 | 154.3° | 136.9° |
| C14 | C10 | C15 | H7 | 179.2° | 180.0° |
| C19 | N4 | N3 | C14 | 179.7° | 179.9° |
| C19 | N4 | C15 | H7 | 0.0° | 0.1° |
| N4 | C19 | H23 | H24 | 120.0° | 120.0° |
| N4 | C19 | H23 | H25 | 120.0° | 120.0° |
| N4 | C19 | H24 | H25 | 120.0° | 119.9° |
| N4 | N3 | C14 | C20 | 180.0° | 180.0° |
| N3 | N4 | C15 | H7 | 179.3° | 180.0° |
| N3 | N4 | C19 | H23 | 0.0° | 90.0° |
| N3 | N4 | C19 | H24 | 120.0° | 30.1° |
| N3 | N4 | C19 | H25 | 120.0° | 150.0° |
| N3 | C14 | C20 | F2 | 145.5° | 76.8° |
| N3 | C14 | C20 | F3 | 26.0° | 43.1° |
| C14 | C20 | F2 | F3 | 122.3° | 120.0° |
| C2 | C3 | C9 | O1 | 158.5° | 165.7° |
| C2 | C3 | C9 | N1 | 21.4° | 14.2° |
| C3 | C2 | C7 | C8 | 33.9° | 32.4° |
| C2 | C3 | C4 | H1 | 179.7° | 179.2° |
| C3 | C2 | C7 | H3 | 86.1° | 152.6° |
| C3 | C2 | C7 | H4 | 153.8° | 87.8° |
| C9 | C3 | C2 | C7 | 0.1° | 0.2° |
| C3 | C9 | O1 | N1 | 179.9° | 180.0° |
| C3 | C9 | N1 | C8 | 4.6° | 7.5° |
| C3 | C9 | N1 | C12 | 176.1° | 172.8° |
| C9 | C3 | C4 | H1 | 0.3° | 0.0° |
| C28 | O3 | C25 | C26 | 0.6° | 180.0° |
| C28 | O3 | C25 | C24 | 179.5° | 0.1° |
| O3 | C28 | H15 | H16 | 120.0° | 120.0° |
| O3 | C28 | H15 | H17 | 120.0° | 120.0° |
| O3 | C28 | H16 | H17 | 120.0° | 120.1° |
| C2 | C7 | C8 | H3 | 119.9° | 120.2° |
| C2 | C7 | C8 | H4 | 119.9° | 120.1° |
| C2 | C7 | C8 | N1 | 47.3° | 50.6° |
| C2 | C7 | H3 | H4 | 120.2° | 119.6° |
| C2 | C7 | C8 | H5 | 167.6° | 69.7° |
| C2 | C7 | C8 | H6 | 73.0° | 171.0° |
| O1 | C9 | N1 | C8 | 175.3° | 172.5° |
| O1 | C9 | N1 | C12 | 3.8° | 7.2° |
| C9 | N1 | C8 | C7 | 31.0° | 40.5° |
| C9 | N1 | C8 | C12 | 171.7° | 179.7° |
| C9 | N1 | C12 | C13 | 112.0° | 89.7° |
| C9 | N1 | C8 | H5 | 151.2° | 79.8° |
| C9 | N1 | C8 | H6 | 89.3° | 160.9° |
| C9 | N1 | C12 | H20 | 8.6° | 30.3° |
| C9 | N1 | C12 | H21 | 127.4° | 150.3° |
| O3 | C25 | C26 | C24 | 178.9° | 179.9° |
| O3 | C25 | C26 | C13 | 179.9° | 180.0° |
| O3 | C25 | C24 | C23 | 179.7° | 180.0° |
| O3 | C25 | C24 | H13 | 0.3° | 0.1° |
| O3 | C25 | C26 | H14 | 0.2° | 0.1° |
| C25 | O3 | C28 | H15 | 180.0° | 180.0° |
| C25 | O3 | C28 | H16 | 60.0° | 60.0° |
| C25 | O3 | C28 | H17 | 60.0° | 60.0° |
| C7 | C8 | N1 | H5 | 120.3° | 120.3° |
| C7 | C8 | N1 | H6 | 120.3° | 120.4° |
| C7 | C8 | N1 | C12 | 140.7° | 139.7° |
| C8 | C7 | H3 | H4 | 120.1° | 119.7° |
| C7 | C8 | H5 | H6 | 119.1° | 119.3° |
| C8 | N1 | C12 | C13 | 75.8° | 90.0° |
| N1 | C8 | C7 | H3 | 72.6° | 170.8° |
| N1 | C8 | C7 | H4 | 167.3° | 69.5° |
| N1 | C8 | H5 | H6 | 119.1° | 119.4° |
| C8 | N1 | C12 | H20 | 163.6° | 150.0° |
| C8 | N1 | C12 | H21 | 44.8° | 30.0° |
| N1 | C12 | C13 | C26 | 30.6° | 90.3° |
| N1 | C12 | C13 | H20 | 120.6° | 120.0° |
| N1 | C12 | C13 | H21 | 120.6° | 120.0° |
| N1 | C12 | C13 | C22 | 149.9° | 90.0° |
| C12 | N1 | C8 | H5 | 20.5° | 100.0° |
| C12 | N1 | C8 | H6 | 99.0° | 19.3° |
| N1 | C12 | H20 | H21 | 118.2° | 120.0° |
| C25 | C26 | C13 | H14 | 180.0° | 179.9° |
| C25 | C26 | C13 | C12 | 179.9° | 179.7° |
| C25 | C26 | C13 | C22 | 0.5° | 0.0° |
| C26 | C25 | C24 | C23 | 0.7° | 0.1° |
| C26 | C25 | C24 | H13 | 179.3° | 179.9° |
| C13 | C26 | C25 | C24 | 1.0° | 0.1° |
| C26 | C13 | C12 | C22 | 179.4° | 179.7° |
| C26 | C13 | C22 | C23 | 0.3° | 0.0° |
| C26 | C13 | C22 | H12 | 179.7° | 180.0° |
| C26 | C13 | C12 | H20 | 90.0° | 149.7° |
| C26 | C13 | C12 | H21 | 151.2° | 29.7° |
| C25 | C24 | C23 | H13 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C25 | C24 | C23 | O2 | 179.3° | 180.0° |
| C24 | C25 | C26 | H14 | 179.0° | 180.0° |
| C12 | C13 | C22 | C23 | 179.2° | 179.7° |
| C12 | C13 | C22 | H12 | 0.8° | 0.3° |
| C12 | C13 | C26 | H14 | 0.1° | 0.3° |
| C13 | C12 | H20 | H21 | 118.2° | 120.0° |
| C13 | C22 | C23 | C24 | 0.6° | 0.0° |
| C13 | C22 | C23 | H12 | 180.0° | 180.0° |
| C13 | C22 | C23 | O2 | 179.8° | 179.9° |
| C22 | C13 | C26 | H14 | 179.5° | 180.0° |
| C22 | C13 | C12 | H20 | 89.5° | 30.0° |
| C22 | C13 | C12 | H21 | 29.4° | 150.0° |
| C24 | C23 | C22 | O2 | 179.3° | 180.0° |
| C24 | C23 | O2 | C27 | 69.0° | 0.0° |
| C24 | C23 | C22 | H12 | 179.4° | 180.0° |
| C22 | C23 | O2 | C27 | 110.2° | 180.0° |
| C22 | C23 | C24 | H13 | 180.0° | 180.0° |
| O2 | C23 | C22 | H12 | 0.2° | 0.0° |
| O2 | C23 | C24 | H13 | 0.7° | 0.0° |
| C23 | O2 | C27 | H26 | 180.0° | 60.0° |
| C23 | O2 | C27 | H27 | 60.0° | 60.0° |
| C23 | O2 | C27 | H28 | 60.0° | 180.0° |
| O2 | C27 | H26 | H27 | 120.0° | 120.0° |
| O2 | C27 | H26 | H28 | 120.0° | 120.0° |
| O2 | C27 | H27 | H28 | 120.0° | 120.1° |
| H3 | C7 | C8 | H5 | 47.7° | 50.4° |
| H3 | C7 | C8 | H6 | 167.1° | 68.8° |
| H4 | C7 | C8 | H5 | 72.4° | 170.2° |
| H4 | C7 | C8 | H6 | 47.0° | 50.9° |
| H8 | C17 | C18 | H22 | 0.0° | 0.1° |
| H9 | C21 | H10 | H11 | 120.0° | 120.0° |
| H15 | C28 | H16 | H17 | 120.0° | 119.9° |
| H23 | C19 | H24 | H25 | 120.0° | 120.0° |
| H26 | C27 | H27 | H28 | 120.0° | 120.0° |
