AJW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C15 | sing | 1.36Å | 1.36Å | |
| O1 | C14 | sing | 1.43Å | 1.42Å | |
| C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N3 | sing | 1.40Å | 1.40Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.40Å | 1.40Å | |
| N3 | C23 | sing | 1.35Å | 1.35Å | |
| C22 | C23 | sing | 1.50Å | 1.50Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | O2A | doub | 1.21Å | 1.21Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C2 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 120.6° | 120.1° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C16 | C17 | H13 | 120.1° | 120.0° |
| C17 | C16 | H26 | 119.7° | 120.0° |
| C16 | C15 | O1 | 117.6° | 120.0° |
| C16 | C15 | C20 | 120.1° | 120.0° |
| C15 | C16 | H26 | 119.7° | 119.9° |
| C17 | C18 | C21 | 119.4° | 120.1° |
| C17 | C18 | C19 | 120.4° | 120.1° |
| C18 | C17 | H13 | 120.2° | 120.0° |
| C15 | O1 | C14 | 121.8° | 117.0° |
| O1 | C15 | C20 | 122.3° | 120.0° |
| O1 | C14 | C13 | 106.1° | 109.5° |
| O1 | C14 | H24 | 110.3° | 109.5° |
| O1 | C14 | H25 | 110.3° | 109.4° |
| C15 | C20 | C19 | 119.1° | 119.8° |
| C15 | C20 | H14 | 120.4° | 120.1° |
| C14 | C13 | C12 | 110.3° | 109.5° |
| C14 | C13 | H11 | 109.3° | 109.5° |
| C14 | C13 | H12 | 109.3° | 109.5° |
| C13 | C14 | H24 | 110.3° | 109.5° |
| C13 | C14 | H25 | 110.3° | 109.5° |
| C13 | C12 | C11 | 108.1° | 109.5° |
| C12 | C13 | H11 | 109.2° | 109.5° |
| C12 | C13 | H12 | 109.3° | 109.4° |
| C13 | C12 | H22 | 109.8° | 109.5° |
| C13 | C12 | H23 | 109.8° | 109.5° |
| C21 | C18 | C19 | 120.3° | 119.7° |
| C18 | C21 | C22 | 108.0° | 109.3° |
| C18 | C21 | H15 | 109.8° | 109.2° |
| C18 | C21 | H16 | 109.9° | 109.9° |
| C18 | C19 | C20 | 120.1° | 119.9° |
| C18 | C19 | N3 | 119.1° | 119.9° |
| C7 | C8 | N2 | 114.6° | 109.4° |
| C8 | C7 | N1 | 111.7° | 109.4° |
| C8 | C7 | H5 | 108.9° | 109.5° |
| C8 | C7 | H6 | 108.9° | 109.5° |
| C7 | C8 | H7 | 108.2° | 109.5° |
| C7 | C8 | H8 | 108.2° | 109.5° |
| C8 | N2 | C11 | 111.6° | 111.0° |
| C8 | N2 | C9 | 119.3° | 110.8° |
| N2 | C8 | H7 | 108.2° | 109.5° |
| N2 | C8 | H8 | 108.2° | 109.5° |
| C12 | C11 | N2 | 109.7° | 109.5° |
| C12 | C11 | H20 | 109.4° | 109.5° |
| C12 | C11 | H21 | 109.4° | 109.5° |
| C11 | C12 | H22 | 109.8° | 109.4° |
| C11 | C12 | H23 | 109.8° | 109.5° |
| C11 | N2 | C9 | 112.4° | 111.0° |
| N2 | C11 | H20 | 109.4° | 109.5° |
| N2 | C11 | H21 | 109.4° | 109.4° |
| C21 | C22 | C23 | 109.2° | 109.9° |
| C22 | C21 | H15 | 109.8° | 109.5° |
| C22 | C21 | H16 | 109.8° | 109.5° |
| C21 | C22 | H17 | 109.6° | 109.4° |
| C21 | C22 | H18 | 109.6° | 109.3° |
| C7 | N1 | C10 | 109.5° | 110.9° |
| C7 | N1 | C3 | 110.5° | 111.0° |
| N1 | C7 | H5 | 108.9° | 109.5° |
| N1 | C7 | H6 | 108.9° | 109.5° |
| C20 | C19 | N3 | 120.8° | 120.1° |
| C19 | C20 | H14 | 120.5° | 120.1° |
| C19 | N3 | C23 | 120.0° | 120.5° |
| C19 | N3 | H1 | 120.0° | 119.8° |
| N2 | C9 | C10 | 113.0° | 109.4° |
| N2 | C9 | H28 | 108.6° | 109.5° |
| N2 | C9 | H29 | 108.6° | 109.5° |
| C9 | C10 | N1 | 107.9° | 109.3° |
| C9 | C10 | H9 | 109.9° | 109.5° |
| C9 | C10 | H10 | 109.9° | 109.5° |
| C10 | C9 | H28 | 108.6° | 109.5° |
| C10 | C9 | H29 | 108.6° | 109.5° |
| C10 | N1 | C3 | 111.3° | 111.0° |
| N1 | C10 | H9 | 109.9° | 109.5° |
| N1 | C10 | H10 | 109.9° | 109.5° |
| N1 | C3 | C4 | 120.6° | 120.0° |
| N1 | C3 | C2 | 119.6° | 120.1° |
| N3 | C23 | C22 | 120.8° | 120.8° |
| N3 | C23 | O2A | 120.1° | 119.6° |
| C23 | N3 | H1 | 120.0° | 119.8° |
| C22 | C23 | O2A | 119.2° | 119.6° |
| C23 | C22 | H17 | 109.6° | 109.1° |
| C23 | C22 | H18 | 109.5° | 109.7° |
| C4 | C3 | C2 | 119.8° | 119.9° |
| C3 | C4 | C5 | 119.9° | 119.9° |
| C3 | C4 | H2 | 120.1° | 120.0° |
| C3 | C2 | C1 | 120.0° | 119.9° |
| C3 | C2 | H27 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.1° |
| C5 | C4 | H2 | 120.1° | 120.1° |
| C4 | C5 | H3 | 119.8° | 119.9° |
| C2 | C1 | C6 | 120.1° | 120.1° |
| C2 | C1 | H19 | 120.0° | 119.9° |
| C1 | C2 | H27 | 120.0° | 120.1° |
| C5 | C6 | C1 | 119.9° | 120.2° |
| C6 | C5 | H3 | 119.9° | 120.0° |
| C5 | C6 | H4 | 120.1° | 119.9° |
| C1 | C6 | H4 | 120.1° | 119.9° |
| C6 | C1 | H19 | 119.9° | 120.0° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.6° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.4° |
| H17 | C22 | H18 | 109.4° | 109.4° |
| H20 | C11 | H21 | 109.4° | 109.5° |
| H22 | C12 | H23 | 109.4° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H28 | C9 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H26 | 180.0° | 179.7° |
| C16 | C17 | C18 | H13 | 180.0° | 179.6° |
| C17 | C16 | C15 | O1 | 179.9° | 179.8° |
| C17 | C16 | C15 | C20 | 0.1° | 0.1° |
| C16 | C17 | C18 | C21 | 179.9° | 179.6° |
| C16 | C17 | C18 | C19 | 0.2° | 0.3° |
| C15 | C16 | C17 | C18 | 0.0° | 0.3° |
| C16 | C15 | O1 | C20 | 180.0° | 179.9° |
| C16 | C15 | O1 | C14 | 177.4° | 0.0° |
| C16 | C15 | C20 | C19 | 0.3° | 0.1° |
| C15 | C16 | C17 | H13 | 180.0° | 179.4° |
| C16 | C15 | C20 | H14 | 179.7° | 180.0° |
| C17 | C18 | C21 | C19 | 179.6° | 179.3° |
| C17 | C18 | C21 | C22 | 143.5° | 146.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.1° |
| C17 | C18 | C19 | N3 | 179.9° | 179.9° |
| C17 | C18 | C21 | H15 | 96.7° | 26.2° |
| C17 | C18 | C21 | H16 | 23.7° | 93.8° |
| C18 | C17 | C16 | H26 | 180.0° | 180.0° |
| C15 | O1 | C14 | C13 | 168.3° | 180.0° |
| O1 | C15 | C20 | C19 | 179.7° | 180.0° |
| O1 | C15 | C20 | H14 | 0.3° | 0.1° |
| C15 | O1 | C14 | H24 | 72.3° | 60.0° |
| C15 | O1 | C14 | H25 | 48.8° | 60.0° |
| O1 | C15 | C16 | H26 | 0.0° | 0.1° |
| C14 | O1 | C15 | C20 | 2.6° | 179.9° |
| O1 | C14 | C13 | H24 | 119.4° | 120.0° |
| O1 | C14 | C13 | H25 | 119.4° | 120.0° |
| O1 | C14 | C13 | C12 | 176.7° | 180.0° |
| O1 | C14 | C13 | H11 | 63.2° | 60.0° |
| O1 | C14 | C13 | H12 | 56.6° | 60.0° |
| O1 | C14 | H24 | H25 | 121.6° | 119.9° |
| C15 | C20 | C19 | C18 | 0.6° | 0.0° |
| C15 | C20 | C19 | H14 | 180.0° | 179.9° |
| C15 | C20 | C19 | N3 | 179.9° | 179.9° |
| C20 | C15 | C16 | H26 | 179.9° | 179.8° |
| C14 | C13 | C12 | H11 | 120.1° | 120.0° |
| C14 | C13 | C12 | H12 | 120.1° | 120.0° |
| C14 | C13 | C12 | C11 | 56.5° | 180.0° |
| C14 | C13 | H11 | H12 | 119.7° | 120.0° |
| C14 | C13 | C12 | H22 | 63.3° | 60.0° |
| C14 | C13 | C12 | H23 | 176.3° | 60.0° |
| C13 | C14 | H24 | H25 | 121.6° | 120.0° |
| C13 | C12 | C11 | H22 | 119.8° | 120.0° |
| C13 | C12 | C11 | H23 | 119.8° | 120.0° |
| C13 | C12 | C11 | N2 | 179.7° | 180.0° |
| C12 | C13 | H11 | H12 | 119.6° | 120.0° |
| C13 | C12 | C11 | H20 | 60.2° | 60.0° |
| C13 | C12 | C11 | H21 | 59.7° | 60.0° |
| C13 | C12 | H22 | H23 | 120.6° | 120.0° |
| C12 | C13 | C14 | H24 | 57.2° | 60.0° |
| C12 | C13 | C14 | H25 | 63.9° | 60.0° |
| C18 | C21 | C22 | H15 | 119.8° | 119.6° |
| C18 | C21 | C22 | H16 | 119.8° | 120.5° |
| C21 | C18 | C19 | C20 | 179.9° | 179.5° |
| C21 | C18 | C19 | N3 | 0.5° | 0.6° |
| C18 | C21 | C22 | C23 | 51.7° | 49.1° |
| C21 | C18 | C17 | H13 | 0.1° | 0.0° |
| C18 | C21 | H15 | H16 | 120.7° | 120.4° |
| C18 | C21 | C22 | H17 | 171.7° | 168.8° |
| C18 | C21 | C22 | H18 | 68.2° | 71.4° |
| C19 | C18 | C21 | C22 | 36.1° | 34.7° |
| C18 | C19 | C20 | N3 | 179.3° | 180.0° |
| C18 | C19 | N3 | C23 | 20.7° | 18.5° |
| C18 | C19 | N3 | H1 | 159.3° | 161.8° |
| C19 | C18 | C17 | H13 | 179.8° | 179.4° |
| C18 | C19 | C20 | H14 | 179.5° | 179.9° |
| C19 | C18 | C21 | H15 | 83.6° | 154.4° |
| C19 | C18 | C21 | H16 | 155.9° | 85.5° |
| C7 | C8 | N2 | H7 | 120.8° | 120.0° |
| C7 | C8 | N2 | H8 | 120.8° | 120.0° |
| C7 | C8 | N2 | C11 | 169.0° | 64.5° |
| C8 | C7 | N1 | H5 | 120.3° | 120.0° |
| C8 | C7 | N1 | H6 | 120.3° | 120.0° |
| C7 | C8 | N2 | C9 | 35.1° | 59.3° |
| C8 | C7 | N1 | C10 | 53.7° | 59.3° |
| C8 | C7 | N1 | C3 | 176.6° | 176.8° |
| C8 | C7 | H5 | H6 | 119.0° | 120.1° |
| C7 | C8 | H7 | H8 | 117.6° | 120.1° |
| C8 | N2 | C11 | C12 | 81.3° | 170.0° |
| C8 | N2 | C11 | C9 | 137.1° | 123.8° |
| N2 | C8 | C7 | N1 | 0.5° | 58.4° |
| C8 | N2 | C9 | C10 | 16.6° | 59.3° |
| N2 | C8 | C7 | H5 | 120.9° | 61.6° |
| N2 | C8 | C7 | H6 | 119.8° | 178.4° |
| N2 | C8 | H7 | H8 | 117.6° | 120.0° |
| C8 | N2 | C11 | H20 | 38.8° | 50.0° |
| C8 | N2 | C11 | H21 | 158.7° | 70.0° |
| C8 | N2 | C9 | H28 | 103.9° | 60.7° |
| C8 | N2 | C9 | H29 | 137.1° | 179.3° |
| C12 | C11 | N2 | H20 | 120.0° | 120.0° |
| C12 | C11 | N2 | H21 | 120.1° | 120.0° |
| C12 | C11 | N2 | C9 | 141.6° | 66.2° |
| C11 | C12 | C13 | H11 | 176.6° | 60.0° |
| C11 | C12 | C13 | H12 | 63.6° | 60.0° |
| C12 | C11 | H20 | H21 | 119.9° | 120.0° |
| C11 | C12 | H22 | H23 | 120.6° | 120.0° |
| C11 | N2 | C9 | C10 | 150.1° | 64.6° |
| C11 | N2 | C8 | H7 | 48.2° | 55.5° |
| C11 | N2 | C8 | H8 | 70.3° | 175.5° |
| N2 | C11 | H20 | H21 | 119.9° | 120.0° |
| N2 | C11 | C12 | H22 | 59.9° | 60.0° |
| N2 | C11 | C12 | H23 | 60.5° | 60.0° |
| C11 | N2 | C9 | H28 | 29.6° | 175.5° |
| C11 | N2 | C9 | H29 | 89.4° | 55.4° |
| C21 | C22 | C23 | N3 | 37.5° | 35.2° |
| C21 | C22 | C23 | H17 | 120.0° | 119.9° |
| C21 | C22 | C23 | H18 | 120.0° | 120.2° |
| C21 | C22 | C23 | O2A | 142.1° | 144.8° |
| C22 | C21 | H15 | H16 | 120.7° | 120.0° |
| C21 | C22 | H17 | H18 | 120.2° | 119.7° |
| C7 | N1 | C10 | C9 | 72.7° | 59.3° |
| C7 | N1 | C10 | C3 | 122.5° | 123.8° |
| C7 | N1 | C3 | C4 | 136.6° | 180.0° |
| C7 | N1 | C3 | C2 | 43.6° | 0.5° |
| N1 | C7 | H5 | H6 | 119.0° | 120.0° |
| N1 | C7 | C8 | H7 | 121.3° | 178.4° |
| N1 | C7 | C8 | H8 | 120.2° | 61.5° |
| C7 | N1 | C10 | H9 | 47.1° | 179.3° |
| C7 | N1 | C10 | H10 | 167.6° | 60.6° |
| C20 | C19 | N3 | C23 | 159.9° | 161.5° |
| C20 | C19 | N3 | H1 | 20.1° | 18.3° |
| C19 | N3 | C23 | H1 | 180.0° | 179.7° |
| C19 | N3 | C23 | C22 | 0.0° | 0.5° |
| C19 | N3 | C23 | O2A | 179.6° | 179.5° |
| N3 | C19 | C20 | H14 | 0.1° | 0.0° |
| N2 | C9 | C10 | H28 | 120.5° | 120.0° |
| N2 | C9 | C10 | H29 | 120.5° | 120.0° |
| N2 | C9 | C10 | N1 | 35.7° | 58.4° |
| C9 | N2 | C8 | H7 | 85.6° | 179.3° |
| C9 | N2 | C8 | H8 | 155.9° | 60.7° |
| N2 | C9 | C10 | H9 | 84.1° | 178.4° |
| N2 | C9 | C10 | H10 | 155.4° | 61.5° |
| C9 | N2 | C11 | H20 | 98.4° | 173.8° |
| C9 | N2 | C11 | H21 | 21.5° | 53.8° |
| N2 | C9 | H28 | H29 | 118.4° | 120.1° |
| C9 | C10 | N1 | H9 | 119.7° | 120.0° |
| C9 | C10 | N1 | H10 | 119.7° | 119.9° |
| C9 | C10 | N1 | C3 | 164.9° | 176.9° |
| C9 | C10 | H9 | H10 | 120.7° | 120.0° |
| C10 | C9 | H28 | H29 | 118.4° | 120.0° |
| C10 | N1 | C3 | C4 | 14.7° | 56.2° |
| C10 | N1 | C3 | C2 | 165.5° | 123.2° |
| C10 | N1 | C7 | H5 | 174.0° | 60.6° |
| C10 | N1 | C7 | H6 | 66.6° | 179.4° |
| N1 | C10 | H9 | H10 | 120.7° | 120.1° |
| N1 | C10 | C9 | H28 | 156.2° | 61.6° |
| N1 | C10 | C9 | H29 | 84.9° | 178.4° |
| N1 | C3 | C4 | C2 | 179.7° | 179.4° |
| N1 | C3 | C4 | C5 | 179.6° | 180.0° |
| N1 | C3 | C2 | C1 | 179.4° | 180.0° |
| N1 | C3 | C4 | H2 | 0.5° | 0.3° |
| C3 | N1 | C7 | H5 | 63.1° | 63.2° |
| C3 | N1 | C7 | H6 | 56.3° | 56.8° |
| C3 | N1 | C10 | H9 | 75.4° | 56.9° |
| C3 | N1 | C10 | H10 | 45.1° | 63.2° |
| N1 | C3 | C2 | H27 | 0.6° | 0.3° |
| N3 | C23 | C22 | O2A | 179.6° | 180.0° |
| N3 | C23 | C22 | H17 | 157.5° | 155.2° |
| N3 | C23 | C22 | H18 | 82.5° | 85.0° |
| C22 | C23 | N3 | H1 | 180.0° | 179.2° |
| C23 | C22 | C21 | H15 | 68.0° | 168.6° |
| C23 | C22 | C21 | H16 | 171.5° | 71.4° |
| C23 | C22 | H17 | H18 | 120.1° | 120.1° |
| C3 | C4 | C5 | H2 | 180.0° | 179.6° |
| C4 | C3 | C2 | C1 | 0.3° | 0.5° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H3 | 179.9° | 179.8° |
| C4 | C3 | C2 | H27 | 179.7° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.6° |
| C3 | C2 | C1 | H27 | 180.0° | 179.8° |
| C3 | C2 | C1 | C6 | 0.4° | 0.2° |
| C2 | C3 | C4 | H2 | 179.8° | 179.8° |
| C3 | C2 | C1 | H19 | 179.6° | 179.8° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C4 | C5 | C6 | H4 | 179.8° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C2 | C1 | C6 | H19 | 180.0° | 180.0° |
| C2 | C1 | C6 | H4 | 179.7° | 180.0° |
| O2A | C23 | N3 | H1 | 0.4° | 0.8° |
| O2A | C23 | C22 | H17 | 22.1° | 24.9° |
| O2A | C23 | C22 | H18 | 97.9° | 95.0° |
| C5 | C6 | C1 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| C5 | C6 | C1 | H19 | 179.7° | 180.0° |
| C1 | C6 | C5 | H3 | 179.9° | 179.9° |
| C6 | C1 | C2 | H27 | 179.6° | 180.0° |
| H2 | C4 | C5 | H3 | 0.1° | 0.1° |
| H3 | C5 | C6 | H4 | 0.2° | 0.0° |
| H4 | C6 | C1 | H19 | 0.3° | 0.0° |
| H5 | C7 | C8 | H7 | 118.4° | 58.4° |
| H5 | C7 | C8 | H8 | 0.1° | 178.5° |
| H6 | C7 | C8 | H7 | 1.0° | 61.7° |
| H6 | C7 | C8 | H8 | 119.5° | 58.4° |
| H9 | C10 | C9 | H28 | 36.4° | 58.4° |
| H9 | C10 | C9 | H29 | 155.4° | 61.6° |
| H10 | C10 | C9 | H28 | 84.1° | 178.5° |
| H10 | C10 | C9 | H29 | 34.9° | 58.5° |
| H11 | C13 | C12 | H22 | 56.8° | 60.0° |
| H11 | C13 | C12 | H23 | 63.6° | 180.0° |
| H11 | C13 | C14 | H24 | 177.3° | 180.0° |
| H11 | C13 | C14 | H25 | 56.2° | 60.0° |
| H12 | C13 | C12 | H22 | 176.6° | 180.0° |
| H12 | C13 | C12 | H23 | 56.2° | 60.0° |
| H12 | C13 | C14 | H24 | 62.9° | 60.0° |
| H12 | C13 | C14 | H25 | 176.0° | 180.0° |
| H13 | C17 | C16 | H26 | 0.0° | 0.3° |
| H15 | C21 | C22 | H17 | 52.0° | 71.6° |
| H15 | C21 | C22 | H18 | 172.0° | 48.1° |
| H16 | C21 | C22 | H17 | 68.5° | 48.4° |
| H16 | C21 | C22 | H18 | 51.6° | 168.1° |
| H19 | C1 | C2 | H27 | 0.4° | 0.0° |
| H20 | C11 | C12 | H22 | 180.0° | 180.0° |
| H20 | C11 | C12 | H23 | 59.6° | 60.0° |
| H21 | C11 | C12 | H22 | 60.1° | 60.0° |
| H21 | C11 | C12 | H23 | 179.5° | 180.0° |
