XB7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| C12 | N1 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| N1 | C8 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| F1 | C24 | sing | 1.35Å | 1.36Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | doub | 1.38Å | 1.36Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C13 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C14 | sing | 1.36Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C13 | sing | 1.38Å | 1.38Å | |
| C13 | N4 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C20 | sing | 1.46Å | 1.46Å | |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 118.0° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 121.0° | 120.1° |
| O1 | C2 | C28 | 119.3° | 120.0° |
| C2 | C3 | C4 | 119.6° | 119.9° |
| C3 | C2 | C28 | 119.7° | 119.9° |
| C2 | C3 | H21 | 120.2° | 120.1° |
| C3 | C4 | C5 | 121.6° | 120.1° |
| C4 | C3 | H21 | 120.2° | 120.0° |
| C3 | C4 | H22 | 119.2° | 120.0° |
| C2 | C28 | C27 | 119.7° | 119.9° |
| C2 | C28 | H20 | 120.1° | 120.0° |
| C4 | C5 | C27 | 117.8° | 120.1° |
| C4 | C5 | C6 | 121.1° | 120.0° |
| C5 | C4 | H22 | 119.2° | 120.0° |
| C28 | C27 | C5 | 121.6° | 120.1° |
| C28 | C27 | H19 | 119.2° | 119.9° |
| C27 | C28 | H20 | 120.2° | 120.1° |
| C27 | C5 | C6 | 121.2° | 119.9° |
| C5 | C27 | H19 | 119.2° | 120.0° |
| C5 | C6 | C7 | 111.9° | 109.5° |
| C5 | C6 | H23 | 108.9° | 109.5° |
| C5 | C6 | H24 | 108.9° | 109.5° |
| C6 | C7 | N1 | 113.5° | 109.5° |
| C7 | C6 | H23 | 108.9° | 109.5° |
| C7 | C6 | H24 | 108.8° | 109.4° |
| C6 | C7 | H25 | 108.5° | 109.5° |
| C6 | C7 | H26 | 108.4° | 109.5° |
| C7 | N1 | C12 | 110.9° | 111.0° |
| C7 | N1 | C8 | 111.5° | 111.0° |
| N1 | C7 | H25 | 108.4° | 109.5° |
| N1 | C7 | H26 | 108.4° | 109.4° |
| N1 | C12 | C11 | 111.2° | 109.6° |
| C12 | N1 | C8 | 109.9° | 111.2° |
| N1 | C12 | H7 | 109.1° | 109.5° |
| N1 | C12 | H8 | 109.1° | 109.5° |
| C12 | C11 | C10 | 110.3° | 109.3° |
| C12 | C11 | H5 | 109.3° | 109.6° |
| C12 | C11 | H6 | 109.3° | 109.5° |
| C11 | C12 | H7 | 109.0° | 109.4° |
| C11 | C12 | H8 | 109.0° | 109.5° |
| N1 | C8 | C9 | 111.7° | 109.6° |
| N1 | C8 | H27 | 108.9° | 109.5° |
| N1 | C8 | H28 | 108.9° | 109.4° |
| C11 | C10 | C9 | 110.7° | 109.2° |
| C11 | C10 | N2 | 111.1° | 109.5° |
| C11 | C10 | H4 | 107.3° | 109.6° |
| C10 | C11 | H5 | 109.2° | 109.5° |
| C10 | C11 | H6 | 109.2° | 109.5° |
| C8 | C9 | C10 | 110.9° | 109.3° |
| C9 | C8 | H27 | 108.9° | 109.5° |
| C9 | C8 | H28 | 108.9° | 109.5° |
| C8 | C9 | H29 | 109.1° | 109.5° |
| C8 | C9 | H30 | 109.1° | 109.6° |
| F1 | C24 | C23 | 118.6° | 120.0° |
| F1 | C24 | C25 | 118.6° | 120.0° |
| C9 | C10 | N2 | 112.4° | 109.5° |
| C9 | C10 | H4 | 107.3° | 109.5° |
| C10 | C9 | H29 | 109.1° | 109.5° |
| C10 | C9 | H30 | 109.1° | 109.6° |
| C10 | N2 | C13 | 122.7° | 120.0° |
| N2 | C10 | H4 | 107.8° | 109.5° |
| C10 | N2 | H32 | 106.0° | 120.0° |
| C23 | C24 | C25 | 122.7° | 119.9° |
| C24 | C23 | C22 | 118.0° | 120.0° |
| C24 | C23 | H16 | 121.0° | 120.0° |
| C24 | C25 | C26 | 118.2° | 120.0° |
| C24 | C25 | H17 | 120.9° | 120.0° |
| C23 | C22 | C21 | 121.4° | 120.0° |
| C23 | C22 | H15 | 119.3° | 120.0° |
| C22 | C23 | H16 | 121.0° | 120.0° |
| C13 | N3 | C14 | 104.7° | 109.6° |
| N3 | C13 | N2 | 125.0° | 125.1° |
| N3 | C13 | N4 | 113.2° | 109.9° |
| N3 | C14 | C15 | 129.8° | 133.4° |
| N3 | C14 | C19 | 110.3° | 107.1° |
| C25 | C26 | C21 | 121.1° | 120.0° |
| C26 | C25 | H17 | 120.9° | 120.0° |
| C25 | C26 | H18 | 119.5° | 120.0° |
| N2 | C13 | N4 | 121.8° | 125.1° |
| C13 | N2 | H32 | 106.1° | 120.0° |
| C13 | N4 | C19 | 106.1° | 107.3° |
| C13 | N4 | C20 | 127.7° | 126.3° |
| C14 | C15 | C16 | 117.7° | 119.8° |
| C15 | C14 | C19 | 119.9° | 119.5° |
| C14 | C15 | H9 | 121.1° | 120.1° |
| C15 | C16 | C17 | 121.8° | 120.5° |
| C16 | C15 | H9 | 121.2° | 120.1° |
| C15 | C16 | H10 | 119.1° | 119.7° |
| C22 | C21 | C26 | 118.5° | 120.0° |
| C22 | C21 | C20 | 120.5° | 120.0° |
| C21 | C22 | H15 | 119.3° | 120.0° |
| C14 | C19 | N4 | 105.8° | 106.2° |
| C14 | C19 | C18 | 122.8° | 119.9° |
| C26 | C21 | C20 | 121.0° | 120.0° |
| C21 | C26 | H18 | 119.4° | 120.0° |
| C21 | C20 | N4 | 110.8° | 109.5° |
| C21 | C20 | H13 | 109.1° | 109.4° |
| C21 | C20 | H14 | 109.2° | 109.5° |
| C16 | C17 | C18 | 121.5° | 120.5° |
| C17 | C16 | H10 | 119.1° | 119.8° |
| C16 | C17 | H11 | 119.3° | 119.7° |
| C19 | N4 | C20 | 126.2° | 126.4° |
| N4 | C19 | C18 | 131.4° | 133.9° |
| N4 | C20 | H13 | 109.2° | 109.5° |
| N4 | C20 | H14 | 109.1° | 109.5° |
| C19 | C18 | C17 | 116.3° | 119.9° |
| C19 | C18 | H12 | 121.8° | 120.1° |
| C18 | C17 | H11 | 119.3° | 119.8° |
| C17 | C18 | H12 | 121.8° | 120.1° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H23 | C6 | H24 | 109.4° | 109.4° |
| H25 | C7 | H26 | 109.5° | 109.5° |
| H27 | C8 | H28 | 109.5° | 109.4° |
| H29 | C9 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 10.1° | 0.3° |
| C1 | O1 | C2 | C28 | 168.9° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C2 | C3 | C28 | 179.0° | 179.7° |
| O1 | C2 | C3 | C4 | 179.2° | 179.7° |
| O1 | C2 | C28 | C27 | 179.2° | 179.7° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C28 | H20 | 0.8° | 0.3° |
| O1 | C2 | C3 | H21 | 0.9° | 0.2° |
| C2 | C3 | C4 | H21 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C28 | C27 | 0.2° | 0.0° |
| C3 | C2 | C28 | H20 | 179.8° | 180.0° |
| C2 | C3 | C4 | H22 | 179.8° | 180.0° |
| C4 | C3 | C2 | C28 | 0.2° | 0.0° |
| C3 | C4 | C5 | H22 | 180.0° | 180.0° |
| C3 | C4 | C5 | C27 | 0.1° | 0.0° |
| C3 | C4 | C5 | C6 | 179.7° | 180.0° |
| C2 | C28 | C27 | H20 | 180.0° | 180.0° |
| C2 | C28 | C27 | C5 | 0.1° | 0.0° |
| C2 | C28 | C27 | H19 | 179.9° | 179.9° |
| C28 | C2 | C3 | H21 | 179.8° | 179.9° |
| C4 | C5 | C27 | C28 | 0.1° | 0.0° |
| C4 | C5 | C27 | C6 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 88.0° | 90.0° |
| C4 | C5 | C27 | H19 | 179.9° | 179.9° |
| C5 | C4 | C3 | H21 | 179.9° | 179.9° |
| C4 | C5 | C6 | H23 | 151.6° | 150.0° |
| C4 | C5 | C6 | H24 | 32.3° | 30.0° |
| C28 | C27 | C5 | H19 | 180.0° | 179.9° |
| C28 | C27 | C5 | C6 | 179.8° | 180.0° |
| C27 | C5 | C6 | C7 | 92.1° | 90.0° |
| C5 | C27 | C28 | H20 | 179.9° | 180.0° |
| C27 | C5 | C4 | H22 | 179.8° | 180.0° |
| C27 | C5 | C6 | H23 | 28.3° | 30.0° |
| C27 | C5 | C6 | H24 | 147.5° | 150.0° |
| C5 | C6 | C7 | H23 | 120.4° | 120.1° |
| C5 | C6 | C7 | H24 | 120.4° | 120.0° |
| C5 | C6 | C7 | N1 | 176.7° | 180.0° |
| C6 | C5 | C27 | H19 | 0.2° | 0.1° |
| C6 | C5 | C4 | H22 | 0.3° | 0.0° |
| C5 | C6 | H23 | H24 | 118.9° | 120.0° |
| C5 | C6 | C7 | H25 | 56.1° | 60.0° |
| C5 | C6 | C7 | H26 | 62.7° | 60.0° |
| C6 | C7 | N1 | H25 | 120.6° | 120.1° |
| C6 | C7 | N1 | H26 | 120.6° | 120.0° |
| C6 | C7 | N1 | C12 | 167.5° | 170.0° |
| C6 | C7 | N1 | C8 | 69.7° | 65.7° |
| C7 | C6 | H23 | H24 | 118.9° | 119.9° |
| C6 | C7 | H25 | H26 | 118.1° | 120.0° |
| C7 | N1 | C12 | C8 | 123.7° | 124.2° |
| C7 | N1 | C12 | C11 | 176.2° | 174.2° |
| C7 | N1 | C8 | C9 | 178.7° | 174.2° |
| C7 | N1 | C12 | H7 | 55.9° | 65.9° |
| C7 | N1 | C12 | H8 | 63.6° | 54.1° |
| N1 | C7 | C6 | H23 | 62.9° | 59.9° |
| N1 | C7 | C6 | H24 | 56.3° | 60.0° |
| N1 | C7 | H25 | H26 | 118.1° | 120.0° |
| C7 | N1 | C8 | H27 | 60.9° | 54.1° |
| C7 | N1 | C8 | H28 | 58.4° | 65.8° |
| N1 | C12 | C11 | H7 | 120.3° | 120.0° |
| N1 | C12 | C11 | H8 | 120.3° | 120.1° |
| N1 | C12 | C11 | C10 | 59.0° | 59.1° |
| C12 | N1 | C8 | C9 | 57.9° | 61.7° |
| N1 | C12 | C11 | H5 | 61.2° | 179.1° |
| N1 | C12 | C11 | H6 | 179.1° | 60.8° |
| N1 | C12 | H7 | H8 | 119.2° | 120.0° |
| C12 | N1 | C7 | H25 | 46.9° | 49.9° |
| C12 | N1 | C7 | H26 | 71.9° | 70.0° |
| C12 | N1 | C8 | H27 | 62.4° | 178.2° |
| C12 | N1 | C8 | H28 | 178.2° | 58.3° |
| C11 | C12 | N1 | C8 | 60.1° | 61.7° |
| C12 | C11 | C10 | H5 | 120.2° | 120.0° |
| C12 | C11 | C10 | H6 | 120.1° | 119.9° |
| C12 | C11 | C10 | C9 | 54.9° | 57.6° |
| C12 | C11 | C10 | N2 | 179.5° | 177.5° |
| C12 | C11 | C10 | H4 | 61.8° | 62.4° |
| C12 | C11 | H5 | H6 | 119.6° | 120.1° |
| C11 | C12 | H7 | H8 | 119.2° | 119.9° |
| N1 | C8 | C9 | H27 | 120.3° | 120.1° |
| N1 | C8 | C9 | H28 | 120.3° | 120.0° |
| N1 | C8 | C9 | C10 | 54.8° | 59.1° |
| C8 | N1 | C12 | H7 | 179.7° | 58.3° |
| C8 | N1 | C12 | H8 | 60.2° | 178.2° |
| C8 | N1 | C7 | H25 | 169.7° | 174.2° |
| C8 | N1 | C7 | H26 | 50.9° | 54.2° |
| N1 | C8 | H27 | H28 | 119.0° | 119.9° |
| N1 | C8 | C9 | H29 | 175.0° | 60.7° |
| N1 | C8 | C9 | H30 | 65.5° | 179.1° |
| C11 | C10 | C9 | C8 | 52.9° | 57.6° |
| C11 | C10 | C9 | N2 | 124.9° | 119.9° |
| C11 | C10 | C9 | H4 | 116.8° | 120.0° |
| C11 | C10 | N2 | H4 | 117.4° | 120.2° |
| C11 | C10 | N2 | C13 | 96.0° | 85.3° |
| C10 | C11 | H5 | H6 | 119.6° | 120.1° |
| C10 | C11 | C12 | H7 | 179.3° | 60.9° |
| C10 | C11 | C12 | H8 | 61.3° | 179.2° |
| C11 | C10 | C9 | H29 | 173.1° | 62.2° |
| C11 | C10 | C9 | H30 | 67.4° | 177.6° |
| C11 | C10 | N2 | H32 | 142.2° | 94.6° |
| C8 | C9 | C10 | H29 | 120.2° | 119.9° |
| C8 | C9 | C10 | H30 | 120.2° | 120.0° |
| C8 | C9 | C10 | N2 | 177.7° | 177.6° |
| C8 | C9 | C10 | H4 | 63.9° | 62.4° |
| C9 | C8 | H27 | H28 | 119.0° | 120.0° |
| C8 | C9 | H29 | H30 | 119.3° | 120.1° |
| F1 | C24 | C23 | C25 | 179.8° | 180.0° |
| F1 | C24 | C23 | C22 | 179.7° | 180.0° |
| F1 | C24 | C25 | C26 | 180.0° | 179.8° |
| F1 | C24 | C23 | H16 | 0.3° | 0.0° |
| F1 | C24 | C25 | H17 | 0.0° | 0.0° |
| C9 | C10 | N2 | H4 | 118.0° | 120.1° |
| C9 | C10 | N2 | C13 | 139.4° | 155.0° |
| C9 | C10 | C11 | H5 | 65.2° | 177.6° |
| C9 | C10 | C11 | H6 | 175.0° | 62.3° |
| C10 | C9 | C8 | H27 | 65.6° | 179.2° |
| C10 | C9 | C8 | H28 | 175.1° | 60.9° |
| C10 | C9 | H29 | H30 | 119.4° | 120.1° |
| C9 | C10 | N2 | H32 | 17.6° | 25.1° |
| C10 | N2 | C13 | N3 | 4.8° | 0.3° |
| C10 | N2 | C13 | H32 | 121.8° | 179.9° |
| C10 | N2 | C13 | N4 | 175.0° | 179.9° |
| N2 | C10 | C11 | H5 | 60.3° | 62.5° |
| N2 | C10 | C11 | H6 | 59.4° | 57.6° |
| N2 | C10 | C9 | H29 | 62.1° | 57.7° |
| N2 | C10 | C9 | H30 | 57.5° | 62.4° |
| C24 | C23 | C22 | H16 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.2° |
| C24 | C23 | C22 | C21 | 0.7° | 0.1° |
| C24 | C23 | C22 | H15 | 179.3° | 180.0° |
| C23 | C24 | C25 | H17 | 179.8° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | C26 | H17 | 180.0° | 179.8° |
| C24 | C25 | C26 | C21 | 0.2° | 0.4° |
| C25 | C24 | C23 | H16 | 180.0° | 179.9° |
| C24 | C25 | C26 | H18 | 179.8° | 180.0° |
| C23 | C22 | C21 | H15 | 180.0° | 179.9° |
| C23 | C22 | C21 | C26 | 1.1° | 0.3° |
| C23 | C22 | C21 | C20 | 179.5° | 180.0° |
| N3 | C13 | N2 | N4 | 179.8° | 179.7° |
| C13 | N3 | C14 | C15 | 180.0° | 179.8° |
| C13 | N3 | C14 | C19 | 0.2° | 0.2° |
| N3 | C13 | N4 | C19 | 0.3° | 0.2° |
| N3 | C13 | N4 | C20 | 178.5° | 179.7° |
| N3 | C13 | N2 | H32 | 117.0° | 179.8° |
| C14 | N3 | C13 | N2 | 179.7° | 179.7° |
| C14 | N3 | C13 | N4 | 0.1° | 0.0° |
| N3 | C14 | C15 | C19 | 179.8° | 179.5° |
| N3 | C14 | C15 | C16 | 179.9° | 179.5° |
| N3 | C14 | C19 | N4 | 0.3° | 0.4° |
| N3 | C14 | C19 | C18 | 179.9° | 179.6° |
| N3 | C14 | C15 | H9 | 0.1° | 0.5° |
| C25 | C26 | C21 | C22 | 0.8° | 0.5° |
| C25 | C26 | C21 | H18 | 180.0° | 179.6° |
| C25 | C26 | C21 | C20 | 179.3° | 179.8° |
| N2 | C13 | N4 | C19 | 179.5° | 180.0° |
| N2 | C13 | N4 | C20 | 1.3° | 0.0° |
| C13 | N2 | C10 | H4 | 21.4° | 34.9° |
| C13 | N4 | C19 | C14 | 0.4° | 0.4° |
| C13 | N4 | C20 | C21 | 81.1° | 90.0° |
| C13 | N4 | C19 | C20 | 178.2° | 179.9° |
| C13 | N4 | C19 | C18 | 179.9° | 179.6° |
| C13 | N4 | C20 | H13 | 39.1° | 30.0° |
| C13 | N4 | C20 | H14 | 158.7° | 149.9° |
| N4 | C13 | N2 | H32 | 63.2° | 0.0° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C15 | C14 | C19 | N4 | 179.8° | 180.0° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.0° | 0.0° |
| C15 | C16 | C17 | H10 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C22 | C21 | C26 | C20 | 178.4° | 179.8° |
| C22 | C21 | C20 | N4 | 55.4° | 90.0° |
| C22 | C21 | C20 | H13 | 175.6° | 150.0° |
| C22 | C21 | C20 | H14 | 64.8° | 30.0° |
| C21 | C22 | C23 | H16 | 179.3° | 180.0° |
| C22 | C21 | C26 | H18 | 179.2° | 180.0° |
| C14 | C19 | N4 | C18 | 179.8° | 180.0° |
| C14 | C19 | N4 | C20 | 178.6° | 179.6° |
| C14 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C14 | C15 | H9 | 180.0° | 180.0° |
| C14 | C19 | C18 | H12 | 179.9° | 179.9° |
| C26 | C21 | C20 | N4 | 123.0° | 90.2° |
| C26 | C21 | C20 | H13 | 2.8° | 29.8° |
| C26 | C21 | C20 | H14 | 116.8° | 149.7° |
| C26 | C21 | C22 | H15 | 178.9° | 179.8° |
| C21 | C26 | C25 | H17 | 179.8° | 179.7° |
| C21 | C20 | N4 | C19 | 96.8° | 90.1° |
| C21 | C20 | N4 | H13 | 120.2° | 120.0° |
| C21 | C20 | N4 | H14 | 120.2° | 120.0° |
| C21 | C20 | H13 | H14 | 119.4° | 120.0° |
| C20 | C21 | C22 | H15 | 0.5° | 0.0° |
| C20 | C21 | C26 | H18 | 0.8° | 0.2° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C17 | C16 | C15 | H9 | 180.0° | 180.0° |
| C16 | C17 | C18 | H12 | 179.9° | 179.9° |
| N4 | C19 | C18 | C17 | 179.7° | 180.0° |
| N4 | C19 | C18 | H12 | 0.3° | 0.1° |
| C19 | N4 | C20 | H13 | 143.0° | 150.0° |
| C19 | N4 | C20 | H14 | 23.4° | 30.0° |
| C20 | N4 | C19 | C18 | 1.6° | 0.4° |
| N4 | C20 | H13 | H14 | 119.4° | 120.0° |
| C19 | C18 | C17 | H12 | 180.0° | 179.9° |
| C19 | C18 | C17 | H11 | 179.9° | 180.0° |
| C18 | C17 | C16 | H10 | 180.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C10 | C11 | H5 | 178.0° | 57.7° |
| H4 | C10 | C11 | H6 | 58.3° | 177.7° |
| H4 | C10 | C9 | H29 | 56.3° | 177.7° |
| H4 | C10 | C9 | H30 | 175.9° | 57.6° |
| H4 | C10 | N2 | H32 | 100.5° | 145.2° |
| H5 | C11 | C12 | H7 | 59.1° | 59.1° |
| H5 | C11 | C12 | H8 | 178.6° | 60.8° |
| H6 | C11 | C12 | H7 | 60.6° | 179.2° |
| H6 | C11 | C12 | H8 | 58.8° | 59.3° |
| H9 | C15 | C16 | H10 | 0.0° | 0.0° |
| H10 | C16 | C17 | H11 | 0.0° | 0.0° |
| H11 | C17 | C18 | H12 | 0.1° | 0.1° |
| H15 | C22 | C23 | H16 | 0.7° | 0.1° |
| H17 | C25 | C26 | H18 | 0.2° | 0.2° |
| H19 | C27 | C28 | H20 | 0.1° | 0.1° |
| H21 | C3 | C4 | H22 | 0.2° | 0.0° |
| H23 | C6 | C7 | H25 | 176.5° | 180.0° |
| H23 | C6 | C7 | H26 | 57.7° | 60.0° |
| H24 | C6 | C7 | H25 | 64.3° | 60.0° |
| H24 | C6 | C7 | H26 | 176.9° | 180.0° |
| H27 | C8 | C9 | H29 | 54.6° | 59.4° |
| H27 | C8 | C9 | H30 | 174.2° | 60.8° |
| H28 | C8 | C9 | H29 | 64.7° | 179.3° |
| H28 | C8 | C9 | H30 | 54.8° | 59.2° |
