5XI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N1 | sing | 1.46Å | 1.48Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | C5 | sing | 1.39Å | 1.37Å | |
| N1 | C7 | sing | 1.35Å | 1.31Å | |
| C3 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.35Å | Aromatic |
| C7 | O1 | doub | 1.22Å | 1.19Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.39Å | 1.37Å | |
| C6 | C1 | sing | 1.39Å | 1.43Å | Aromatic |
| N2 | C9 | sing | 1.46Å | 1.57Å | |
| C9 | C13 | sing | 1.53Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.41Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C12 | N3 | sing | 1.47Å | 1.42Å | |
| C11 | N3 | sing | 1.47Å | 1.43Å | |
| N3 | C14 | sing | 1.47Å | 1.37Å | |
| C18 | C14 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | N4 | sing | 1.47Å | 1.57Å | |
| N4 | C16 | sing | 1.47Å | 1.58Å | |
| N4 | C19 | sing | 1.35Å | 1.48Å | |
| O3 | C19 | sing | 1.35Å | 1.43Å | |
| O3 | C20 | sing | 1.45Å | 1.44Å | |
| C19 | O2 | doub | 1.21Å | 1.17Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N1 | C5 | 126.2° | 125.8° |
| C8 | N1 | C7 | 125.5° | 125.8° |
| N1 | C8 | H15 | 109.5° | 109.5° |
| N1 | C8 | H16 | 109.5° | 109.5° |
| N1 | C8 | H17 | 109.4° | 109.4° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C4 | C3 | C2 | 118.3° | 120.3° |
| C3 | C4 | H19 | 119.7° | 120.1° |
| C4 | C3 | H20 | 120.8° | 119.8° |
| C4 | C5 | N1 | 131.2° | 133.4° |
| C4 | C5 | C6 | 121.3° | 119.9° |
| C5 | C4 | H19 | 119.7° | 120.0° |
| C5 | N1 | C7 | 108.3° | 108.4° |
| N1 | C5 | C6 | 107.5° | 106.8° |
| N1 | C7 | O1 | 125.3° | 125.2° |
| N1 | C7 | N2 | 109.6° | 109.6° |
| C3 | C2 | C1 | 121.5° | 120.3° |
| C3 | C2 | H18 | 119.3° | 119.8° |
| C2 | C3 | H20 | 120.9° | 119.9° |
| C5 | C6 | N2 | 106.6° | 106.8° |
| C5 | C6 | C1 | 117.9° | 119.8° |
| O1 | C7 | N2 | 125.1° | 125.2° |
| C7 | N2 | C6 | 108.0° | 108.4° |
| C7 | N2 | C9 | 120.1° | 125.8° |
| C2 | C1 | C6 | 120.3° | 119.9° |
| C1 | C2 | H18 | 119.2° | 119.9° |
| C2 | C1 | H21 | 119.8° | 120.1° |
| N2 | C6 | C1 | 135.4° | 133.4° |
| C6 | N2 | C9 | 131.8° | 125.9° |
| C6 | C1 | H21 | 119.8° | 120.0° |
| N2 | C9 | C13 | 106.6° | 109.6° |
| N2 | C9 | C10 | 114.3° | 109.5° |
| N2 | C9 | H28 | 107.2° | 109.5° |
| C13 | C9 | C10 | 110.4° | 109.2° |
| C9 | C13 | C12 | 110.9° | 109.3° |
| C9 | C13 | H2 | 109.1° | 109.5° |
| C9 | C13 | H3 | 109.1° | 109.5° |
| C13 | C9 | H28 | 108.9° | 109.5° |
| C9 | C10 | C11 | 110.7° | 109.3° |
| C9 | C10 | H22 | 109.2° | 109.5° |
| C9 | C10 | H23 | 109.2° | 109.6° |
| C10 | C9 | H28 | 109.3° | 109.5° |
| C13 | C12 | N3 | 114.9° | 109.5° |
| C12 | C13 | H2 | 109.1° | 109.5° |
| C12 | C13 | H3 | 109.1° | 109.5° |
| C13 | C12 | H4 | 108.1° | 109.5° |
| C13 | C12 | H5 | 108.1° | 109.5° |
| C10 | C11 | N3 | 114.7° | 109.5° |
| C10 | C11 | H13 | 108.1° | 109.4° |
| C10 | C11 | H14 | 108.1° | 109.4° |
| C11 | C10 | H22 | 109.1° | 109.5° |
| C11 | C10 | H23 | 109.2° | 109.5° |
| C12 | N3 | C11 | 118.0° | 111.2° |
| C12 | N3 | C14 | 112.5° | 111.1° |
| N3 | C12 | H4 | 108.1° | 109.4° |
| N3 | C12 | H5 | 108.1° | 109.5° |
| C11 | N3 | C14 | 115.8° | 111.0° |
| N3 | C11 | H13 | 108.2° | 109.5° |
| N3 | C11 | H14 | 108.2° | 109.5° |
| N3 | C14 | C18 | 111.1° | 109.4° |
| N3 | C14 | C15 | 111.1° | 109.5° |
| N3 | C14 | H1 | 109.3° | 109.5° |
| C14 | C18 | C17 | 111.5° | 109.3° |
| C18 | C14 | C15 | 110.3° | 109.6° |
| C18 | C14 | H1 | 107.3° | 109.5° |
| C14 | C18 | H26 | 109.0° | 109.5° |
| C14 | C18 | H27 | 109.0° | 109.5° |
| C18 | C17 | N4 | 113.9° | 108.8° |
| C18 | C17 | H8 | 108.3° | 109.6° |
| C18 | C17 | H9 | 108.3° | 109.7° |
| C17 | C18 | H26 | 109.0° | 109.5° |
| C17 | C18 | H27 | 109.0° | 109.5° |
| C14 | C15 | C16 | 110.7° | 109.3° |
| C15 | C14 | H1 | 107.6° | 109.4° |
| C14 | C15 | H24 | 109.2° | 109.5° |
| C14 | C15 | H25 | 109.2° | 109.4° |
| C15 | C16 | N4 | 114.4° | 108.8° |
| C15 | C16 | H6 | 108.2° | 109.6° |
| C15 | C16 | H7 | 108.2° | 109.6° |
| C16 | C15 | H24 | 109.2° | 109.5° |
| C16 | C15 | H25 | 109.1° | 109.5° |
| C17 | N4 | C16 | 109.6° | 118.7° |
| C17 | N4 | C19 | 118.7° | 120.6° |
| N4 | C17 | H8 | 108.3° | 109.6° |
| N4 | C17 | H9 | 108.3° | 109.6° |
| C16 | N4 | C19 | 119.6° | 120.7° |
| N4 | C16 | H6 | 108.2° | 109.6° |
| N4 | C16 | H7 | 108.2° | 109.7° |
| N4 | C19 | O3 | 120.5° | 120.0° |
| N4 | C19 | O2 | 119.8° | 120.0° |
| C19 | O3 | C20 | 113.6° | 117.0° |
| O3 | C19 | O2 | 119.7° | 120.0° |
| O3 | C20 | H10 | 109.5° | 109.5° |
| O3 | C20 | H11 | 109.5° | 109.5° |
| O3 | C20 | H12 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 109.4° |
| H6 | C16 | H7 | 109.5° | 109.6° |
| H8 | C17 | H9 | 109.5° | 109.6° |
| H10 | C20 | H11 | 109.4° | 109.5° |
| H10 | C20 | H12 | 109.5° | 109.4° |
| H11 | C20 | H12 | 109.4° | 109.5° |
| H13 | C11 | H14 | 109.4° | 109.4° |
| H15 | C8 | H16 | 109.4° | 109.5° |
| H15 | C8 | H17 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H22 | C10 | H23 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N1 | C5 | C4 | 0.1° | 0.1° |
| C8 | N1 | C5 | C7 | 180.0° | 179.9° |
| C8 | N1 | C5 | C6 | 180.0° | 180.0° |
| C8 | N1 | C7 | O1 | 0.2° | 0.1° |
| C8 | N1 | C7 | N2 | 179.7° | 180.0° |
| N1 | C8 | H15 | H16 | 120.0° | 120.0° |
| N1 | C8 | H15 | H17 | 120.0° | 120.0° |
| N1 | C8 | H16 | H17 | 120.0° | 120.0° |
| C3 | C4 | C5 | H19 | 180.0° | 179.9° |
| C3 | C4 | C5 | N1 | 180.0° | 179.9° |
| C4 | C3 | C2 | H20 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C2 | C1 | 0.7° | 0.3° |
| C4 | C3 | C2 | H18 | 179.3° | 179.6° |
| C4 | C5 | N1 | C6 | 179.9° | 180.0° |
| C4 | C5 | N1 | C7 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.1° |
| C4 | C5 | C6 | N2 | 179.8° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.2° |
| C5 | C4 | C3 | H20 | 179.7° | 180.0° |
| C5 | N1 | C7 | O1 | 179.8° | 180.0° |
| C5 | N1 | C7 | N2 | 0.3° | 0.1° |
| N1 | C5 | C6 | N2 | 0.2° | 0.0° |
| N1 | C5 | C6 | C1 | 179.9° | 179.8° |
| C5 | N1 | C8 | H15 | 180.0° | 90.0° |
| C5 | N1 | C8 | H16 | 60.0° | 150.0° |
| C5 | N1 | C8 | H17 | 60.0° | 30.0° |
| N1 | C5 | C4 | H19 | 0.0° | 0.0° |
| C7 | N1 | C5 | C6 | 0.1° | 0.0° |
| N1 | C7 | O1 | N2 | 179.4° | 179.9° |
| N1 | C7 | N2 | C6 | 0.5° | 0.0° |
| N1 | C7 | N2 | C9 | 180.0° | 179.8° |
| C7 | N1 | C8 | H15 | 0.0° | 89.9° |
| C7 | N1 | C8 | H16 | 120.0° | 30.1° |
| C7 | N1 | C8 | H17 | 120.0° | 150.1° |
| C3 | C2 | C1 | H18 | 180.0° | 179.4° |
| C3 | C2 | C1 | C6 | 0.7° | 0.6° |
| C2 | C3 | C4 | H19 | 179.7° | 180.0° |
| C3 | C2 | C1 | H21 | 179.3° | 179.7° |
| C5 | C6 | N2 | C7 | 0.4° | 0.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.5° |
| C5 | C6 | N2 | C1 | 179.6° | 179.7° |
| C5 | C6 | N2 | C9 | 179.9° | 179.7° |
| C6 | C5 | C4 | H19 | 179.9° | 180.0° |
| C5 | C6 | C1 | H21 | 179.7° | 179.7° |
| O1 | C7 | N2 | C6 | 180.0° | 180.0° |
| O1 | C7 | N2 | C9 | 0.5° | 0.3° |
| C7 | N2 | C6 | C9 | 179.4° | 179.7° |
| C7 | N2 | C6 | C1 | 179.9° | 179.7° |
| C7 | N2 | C9 | C13 | 76.5° | 13.7° |
| C7 | N2 | C9 | C10 | 161.3° | 133.4° |
| C7 | N2 | C9 | H28 | 40.0° | 106.4° |
| C2 | C1 | C6 | N2 | 179.3° | 179.7° |
| C2 | C1 | C6 | H21 | 180.0° | 179.8° |
| C1 | C2 | C3 | H20 | 179.3° | 179.7° |
| C6 | N2 | C9 | C13 | 102.9° | 166.6° |
| C6 | N2 | C9 | C10 | 19.3° | 46.9° |
| N2 | C6 | C1 | H21 | 0.7° | 0.0° |
| C6 | N2 | C9 | H28 | 140.6° | 73.3° |
| C1 | C6 | N2 | C9 | 0.5° | 0.0° |
| C6 | C1 | C2 | H18 | 179.3° | 179.9° |
| N2 | C9 | C13 | C10 | 124.6° | 119.9° |
| N2 | C9 | C13 | H28 | 115.4° | 120.2° |
| N2 | C9 | C10 | H28 | 120.1° | 120.1° |
| N2 | C9 | C13 | C12 | 173.8° | 62.2° |
| N2 | C9 | C10 | C11 | 178.7° | 62.3° |
| N2 | C9 | C13 | H2 | 66.0° | 177.8° |
| N2 | C9 | C13 | H3 | 53.6° | 57.7° |
| N2 | C9 | C10 | H22 | 58.5° | 57.6° |
| N2 | C9 | C10 | H23 | 61.1° | 177.7° |
| C13 | C9 | C10 | H28 | 119.8° | 119.9° |
| C9 | C13 | C12 | H2 | 120.2° | 120.0° |
| C9 | C13 | C12 | H3 | 120.2° | 120.0° |
| C13 | C9 | C10 | C11 | 61.2° | 57.7° |
| C9 | C13 | C12 | N3 | 46.1° | 59.2° |
| C9 | C13 | H2 | H3 | 119.4° | 120.1° |
| C9 | C13 | C12 | H4 | 166.9° | 60.8° |
| C9 | C13 | C12 | H5 | 74.7° | 179.2° |
| C13 | C9 | C10 | H22 | 178.6° | 177.6° |
| C13 | C9 | C10 | H23 | 59.0° | 62.3° |
| C10 | C9 | C13 | C12 | 61.6° | 57.7° |
| C9 | C10 | C11 | H22 | 120.2° | 119.9° |
| C9 | C10 | C11 | H23 | 120.2° | 120.0° |
| C9 | C10 | C11 | N3 | 45.9° | 59.2° |
| C10 | C9 | C13 | H2 | 58.6° | 62.3° |
| C10 | C9 | C13 | H3 | 178.2° | 177.6° |
| C9 | C10 | C11 | H13 | 74.9° | 179.2° |
| C9 | C10 | C11 | H14 | 166.7° | 60.9° |
| C9 | C10 | H22 | H23 | 119.4° | 120.1° |
| C13 | C12 | N3 | H4 | 120.8° | 120.1° |
| C13 | C12 | N3 | H5 | 120.8° | 120.1° |
| C13 | C12 | N3 | C11 | 32.2° | 61.7° |
| C13 | C12 | N3 | C14 | 106.8° | 174.1° |
| C12 | C13 | H2 | H3 | 119.4° | 120.1° |
| C13 | C12 | H4 | H5 | 117.6° | 120.0° |
| C12 | C13 | C9 | H28 | 58.4° | 177.6° |
| C10 | C11 | N3 | C12 | 31.9° | 61.7° |
| C10 | C11 | N3 | H13 | 120.8° | 120.0° |
| C10 | C11 | N3 | H14 | 120.8° | 120.0° |
| C10 | C11 | N3 | C14 | 105.8° | 174.1° |
| C10 | C11 | H13 | H14 | 117.6° | 119.9° |
| C11 | C10 | H22 | H23 | 119.4° | 120.1° |
| C11 | C10 | C9 | H28 | 58.6° | 177.6° |
| C12 | N3 | C11 | C14 | 137.8° | 124.2° |
| C12 | N3 | C14 | C18 | 62.1° | 64.9° |
| C12 | N3 | C14 | C15 | 174.7° | 175.0° |
| C12 | N3 | C14 | H1 | 56.1° | 55.0° |
| N3 | C12 | C13 | H2 | 74.1° | 60.8° |
| N3 | C12 | C13 | H3 | 166.3° | 179.1° |
| N3 | C12 | H4 | H5 | 117.5° | 119.9° |
| C12 | N3 | C11 | H13 | 88.9° | 178.3° |
| C12 | N3 | C11 | H14 | 152.7° | 58.3° |
| C11 | N3 | C14 | C18 | 77.9° | 59.3° |
| C11 | N3 | C14 | C15 | 45.3° | 60.8° |
| C11 | N3 | C14 | H1 | 163.9° | 179.3° |
| C11 | N3 | C12 | H4 | 153.1° | 58.3° |
| C11 | N3 | C12 | H5 | 88.6° | 178.2° |
| N3 | C11 | H13 | H14 | 117.6° | 120.0° |
| N3 | C11 | C10 | H22 | 166.1° | 179.1° |
| N3 | C11 | C10 | H23 | 74.3° | 60.9° |
| N3 | C14 | C18 | C15 | 123.6° | 120.1° |
| N3 | C14 | C18 | H1 | 119.4° | 120.0° |
| N3 | C14 | C18 | C17 | 174.9° | 178.6° |
| N3 | C14 | C15 | H1 | 119.6° | 120.0° |
| N3 | C14 | C15 | C16 | 175.7° | 178.6° |
| C14 | N3 | C12 | H4 | 14.0° | 65.8° |
| C14 | N3 | C12 | H5 | 132.4° | 54.1° |
| C14 | N3 | C11 | H13 | 133.4° | 54.1° |
| C14 | N3 | C11 | H14 | 14.9° | 65.9° |
| N3 | C14 | C15 | H24 | 55.5° | 58.6° |
| N3 | C14 | C15 | H25 | 64.2° | 61.4° |
| N3 | C14 | C18 | H26 | 64.8° | 61.4° |
| N3 | C14 | C18 | H27 | 54.6° | 58.6° |
| C14 | C18 | C17 | H26 | 120.3° | 120.0° |
| C14 | C18 | C17 | H27 | 120.3° | 120.0° |
| C18 | C14 | C15 | H1 | 116.8° | 120.0° |
| C18 | C14 | C15 | C16 | 60.7° | 61.3° |
| C14 | C18 | C17 | N4 | 54.2° | 54.6° |
| C14 | C18 | C17 | H8 | 174.9° | 174.4° |
| C14 | C18 | C17 | H9 | 66.5° | 65.2° |
| C18 | C14 | C15 | H24 | 179.1° | 178.7° |
| C18 | C14 | C15 | H25 | 59.4° | 58.6° |
| C14 | C18 | H26 | H27 | 119.1° | 120.1° |
| C17 | C18 | C14 | C15 | 61.4° | 61.3° |
| C18 | C17 | N4 | H8 | 120.7° | 119.8° |
| C18 | C17 | N4 | H9 | 120.6° | 120.0° |
| C18 | C17 | N4 | C16 | 44.9° | 53.6° |
| C18 | C17 | N4 | C19 | 172.6° | 126.4° |
| C17 | C18 | C14 | H1 | 55.6° | 58.6° |
| C18 | C17 | H8 | H9 | 117.9° | 120.5° |
| C17 | C18 | H26 | H27 | 119.1° | 120.0° |
| C14 | C15 | C16 | H24 | 120.2° | 120.0° |
| C14 | C15 | C16 | H25 | 120.2° | 119.9° |
| C14 | C15 | C16 | N4 | 54.0° | 54.6° |
| C14 | C15 | C16 | H6 | 66.8° | 65.2° |
| C14 | C15 | C16 | H7 | 174.7° | 174.5° |
| C14 | C15 | H24 | H25 | 119.5° | 120.0° |
| C15 | C14 | C18 | H26 | 58.8° | 58.7° |
| C15 | C14 | C18 | H27 | 178.3° | 178.7° |
| C15 | C16 | N4 | C17 | 44.9° | 53.6° |
| C15 | C16 | N4 | H6 | 120.7° | 119.8° |
| C15 | C16 | N4 | H7 | 120.7° | 119.8° |
| C15 | C16 | N4 | C19 | 173.0° | 126.4° |
| C16 | C15 | C14 | H1 | 56.1° | 58.7° |
| C15 | C16 | H6 | H7 | 117.8° | 120.3° |
| C16 | C15 | H24 | H25 | 119.4° | 120.1° |
| C17 | N4 | C16 | C19 | 142.1° | 179.9° |
| C17 | N4 | C19 | O3 | 48.4° | 180.0° |
| C17 | N4 | C19 | O2 | 130.8° | 0.0° |
| C17 | N4 | C16 | H6 | 75.8° | 66.2° |
| C17 | N4 | C16 | H7 | 165.7° | 173.5° |
| N4 | C17 | H8 | H9 | 118.0° | 120.2° |
| N4 | C17 | C18 | H26 | 66.1° | 65.4° |
| N4 | C17 | C18 | H27 | 174.5° | 174.6° |
| C16 | N4 | C19 | O3 | 172.9° | 0.0° |
| C16 | N4 | C19 | O2 | 7.9° | 179.9° |
| N4 | C16 | H6 | H7 | 117.7° | 120.4° |
| C16 | N4 | C17 | H8 | 165.6° | 173.4° |
| C16 | N4 | C17 | H9 | 75.7° | 66.3° |
| N4 | C16 | C15 | H24 | 174.1° | 174.6° |
| N4 | C16 | C15 | H25 | 66.2° | 65.3° |
| N4 | C19 | O3 | O2 | 179.2° | 180.0° |
| N4 | C19 | O3 | C20 | 154.3° | 180.0° |
| C19 | N4 | C16 | H6 | 66.3° | 113.8° |
| C19 | N4 | C16 | H7 | 52.3° | 6.6° |
| C19 | N4 | C17 | H8 | 51.9° | 6.6° |
| C19 | N4 | C17 | H9 | 66.7° | 113.6° |
| C19 | O3 | C20 | H10 | 180.0° | 180.0° |
| C19 | O3 | C20 | H11 | 60.0° | 60.0° |
| C19 | O3 | C20 | H12 | 60.0° | 60.0° |
| C20 | O3 | C19 | O2 | 24.9° | 0.0° |
| O3 | C20 | H10 | H11 | 120.0° | 120.0° |
| O3 | C20 | H10 | H12 | 120.0° | 120.0° |
| O3 | C20 | H11 | H12 | 120.0° | 120.1° |
| H1 | C14 | C15 | H24 | 64.1° | 61.4° |
| H1 | C14 | C15 | H25 | 176.3° | 178.6° |
| H1 | C14 | C18 | H26 | 175.8° | 178.6° |
| H1 | C14 | C18 | H27 | 64.7° | 61.3° |
| H2 | C13 | C12 | H4 | 46.7° | 179.2° |
| H2 | C13 | C12 | H5 | 165.1° | 59.3° |
| H2 | C13 | C9 | H28 | 178.6° | 57.6° |
| H3 | C13 | C12 | H4 | 72.9° | 59.1° |
| H3 | C13 | C12 | H5 | 45.5° | 60.8° |
| H3 | C13 | C9 | H28 | 61.8° | 62.5° |
| H6 | C16 | C15 | H24 | 53.4° | 54.8° |
| H6 | C16 | C15 | H25 | 173.0° | 174.9° |
| H7 | C16 | C15 | H24 | 65.1° | 65.5° |
| H7 | C16 | C15 | H25 | 54.5° | 54.6° |
| H8 | C17 | C18 | H26 | 54.6° | 54.4° |
| H8 | C17 | C18 | H27 | 64.8° | 65.6° |
| H9 | C17 | C18 | H26 | 173.2° | 174.8° |
| H9 | C17 | C18 | H27 | 53.8° | 54.7° |
| H10 | C20 | H11 | H12 | 120.0° | 119.9° |
| H13 | C11 | C10 | H22 | 45.3° | 60.8° |
| H13 | C11 | C10 | H23 | 164.9° | 59.2° |
| H14 | C11 | C10 | H22 | 73.1° | 59.1° |
| H14 | C11 | C10 | H23 | 46.5° | 179.1° |
| H15 | C8 | H16 | H17 | 120.0° | 120.0° |
| H18 | C2 | C3 | H20 | 0.7° | 0.3° |
| H18 | C2 | C1 | H21 | 0.7° | 0.3° |
| H19 | C4 | C3 | H20 | 0.3° | 0.1° |
| H22 | C10 | C9 | H28 | 61.6° | 62.5° |
| H23 | C10 | C9 | H28 | 178.8° | 57.6° |
