A1IVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR30 | C29 | sing | 1.89Å | 1.90Å | |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | N6 | sing | 1.47Å | 1.50Å | |
| O16 | C12 | doub | 1.21Å | 1.23Å | |
| N6 | C10 | sing | 1.49Å | 1.49Å | |
| N6 | C7 | sing | 1.44Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.47Å | |
| C14 | N13 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C12 | N13 | sing | 1.35Å | 1.33Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.52Å | 1.51Å | |
| C11 | N17 | sing | 1.44Å | 1.48Å | |
| C8 | C9 | sing | 1.47Å | 1.52Å | |
| N17 | C9 | sing | 1.50Å | 1.47Å | |
| N17 | C18 | sing | 1.35Å | 1.36Å | |
| N21 | C22 | doub | 1.32Å | 1.33Å | Aromatic |
| N21 | C20 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | CL24 | sing | 1.74Å | 1.74Å | |
| C23 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.50Å | |
| C18 | O26 | doub | 1.22Å | 1.22Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| N13 | H24 | sing | 0.97Å | 1.00Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR30 | C29 | C31 | 119.1° | 120.0° |
| BR30 | C29 | C28 | 119.4° | 120.0° |
| C31 | C29 | C28 | 121.5° | 120.0° |
| C29 | C31 | C3 | 120.0° | 120.0° |
| C29 | C31 | H29 | 120.0° | 120.0° |
| C29 | C28 | C27 | 118.7° | 120.0° |
| C29 | C28 | H14 | 120.7° | 120.0° |
| C31 | C3 | C2 | 118.0° | 120.0° |
| C31 | C3 | C4 | 119.1° | 120.0° |
| C3 | C31 | H29 | 120.0° | 120.0° |
| C1 | C2 | C3 | 118.3° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C1 | C2 | H18 | 107.2° | 109.5° |
| C1 | C2 | H19 | 107.2° | 109.5° |
| C28 | C27 | C4 | 121.3° | 120.0° |
| C27 | C28 | H14 | 120.6° | 120.0° |
| C28 | C27 | H28 | 119.4° | 120.0° |
| C2 | C3 | C4 | 122.9° | 120.0° |
| C3 | C2 | H18 | 107.2° | 109.4° |
| C3 | C2 | H19 | 107.2° | 109.5° |
| C3 | C4 | C27 | 119.3° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C27 | C4 | C5 | 120.9° | 120.0° |
| C4 | C27 | H28 | 119.3° | 120.0° |
| C4 | C5 | N6 | 114.5° | 109.5° |
| C4 | C5 | H1 | 108.2° | 109.4° |
| C4 | C5 | H2 | 108.2° | 109.5° |
| C5 | N6 | C10 | 107.1° | 111.0° |
| C5 | N6 | C7 | 110.9° | 111.0° |
| N6 | C5 | H1 | 108.2° | 109.5° |
| N6 | C5 | H2 | 108.2° | 109.5° |
| O16 | C12 | N13 | 122.9° | 120.0° |
| O16 | C12 | C11 | 119.3° | 120.0° |
| C10 | N6 | C7 | 113.9° | 112.0° |
| N6 | C10 | C11 | 117.1° | 110.7° |
| N6 | C10 | H7 | 107.6° | 109.2° |
| N6 | C10 | H8 | 107.5° | 109.3° |
| N6 | C7 | C8 | 114.0° | 105.4° |
| N6 | C7 | H3 | 108.3° | 110.3° |
| N6 | C7 | H4 | 108.4° | 110.4° |
| C15 | C14 | N13 | 113.1° | 109.5° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C15 | C14 | H25 | 108.6° | 109.5° |
| C15 | C14 | H26 | 108.5° | 109.4° |
| C14 | N13 | C12 | 121.6° | 120.0° |
| C14 | N13 | H24 | 119.2° | 120.0° |
| N13 | C14 | H25 | 108.5° | 109.5° |
| N13 | C14 | H26 | 108.5° | 109.5° |
| C10 | C11 | C12 | 109.8° | 108.1° |
| C10 | C11 | N17 | 114.6° | 116.2° |
| C11 | C10 | H7 | 107.5° | 109.2° |
| C11 | C10 | H8 | 107.5° | 109.2° |
| C10 | C11 | H23 | 104.8° | 108.2° |
| N13 | C12 | C11 | 117.8° | 120.0° |
| C12 | N13 | H24 | 119.2° | 120.0° |
| C12 | C11 | N17 | 116.3° | 108.1° |
| C12 | C11 | H23 | 104.8° | 107.8° |
| C7 | C8 | C9 | 115.3° | 114.2° |
| C8 | C7 | H3 | 108.4° | 110.3° |
| C8 | C7 | H4 | 108.3° | 110.2° |
| C7 | C8 | H5 | 108.0° | 108.6° |
| C7 | C8 | H6 | 108.0° | 108.6° |
| C11 | N17 | C9 | 122.1° | 118.8° |
| C11 | N17 | C18 | 120.1° | 120.6° |
| N17 | C11 | H23 | 105.3° | 108.2° |
| C8 | C9 | N17 | 114.3° | 107.0° |
| C9 | C8 | H5 | 108.0° | 108.6° |
| C9 | C8 | H6 | 108.0° | 108.6° |
| C8 | C9 | H21 | 108.3° | 109.9° |
| C8 | C9 | H22 | 108.3° | 110.0° |
| C9 | N17 | C18 | 117.2° | 120.6° |
| N17 | C9 | H21 | 108.3° | 109.9° |
| N17 | C9 | H22 | 108.2° | 110.0° |
| N17 | C18 | C19 | 122.3° | 120.0° |
| N17 | C18 | O26 | 121.5° | 120.1° |
| C22 | N21 | C20 | 117.6° | 121.9° |
| N21 | C22 | C23 | 122.1° | 121.0° |
| N21 | C22 | H13 | 118.9° | 119.5° |
| N21 | C20 | C19 | 123.9° | 120.6° |
| N21 | C20 | H12 | 118.1° | 119.7° |
| C22 | C23 | CL24 | 120.0° | 120.3° |
| C22 | C23 | C25 | 120.4° | 119.3° |
| C23 | C22 | H13 | 118.9° | 119.5° |
| C20 | C19 | C25 | 117.5° | 118.9° |
| C20 | C19 | C18 | 124.4° | 120.6° |
| C19 | C20 | H12 | 118.0° | 119.7° |
| CL24 | C23 | C25 | 119.6° | 120.4° |
| C23 | C25 | C19 | 118.4° | 118.3° |
| C23 | C25 | H27 | 120.8° | 120.8° |
| C25 | C19 | C18 | 118.1° | 120.6° |
| C19 | C25 | H27 | 120.8° | 120.9° |
| C19 | C18 | O26 | 116.2° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.4° | 110.2° |
| H5 | C8 | H6 | 109.5° | 108.3° |
| H7 | C10 | H8 | 109.5° | 109.2° |
| H9 | C15 | H10 | 109.4° | 109.5° |
| H9 | C15 | H11 | 109.4° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H15 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C2 | H19 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.4° | 109.9° |
| H25 | C14 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR30 | C29 | C31 | C28 | 179.9° | 179.7° |
| BR30 | C29 | C31 | C3 | 180.0° | 180.0° |
| BR30 | C29 | C28 | C27 | 179.9° | 180.0° |
| BR30 | C29 | C28 | H14 | 0.0° | 0.0° |
| BR30 | C29 | C31 | H29 | 0.0° | 0.3° |
| C29 | C31 | C3 | H29 | 180.0° | 179.6° |
| C31 | C29 | C28 | C27 | 0.2° | 0.2° |
| C29 | C31 | C3 | C2 | 179.8° | 179.9° |
| C29 | C31 | C3 | C4 | 0.0° | 0.0° |
| C31 | C29 | C28 | H14 | 179.8° | 179.7° |
| C28 | C29 | C31 | C3 | 0.1° | 0.3° |
| C29 | C28 | C27 | H14 | 180.0° | 179.9° |
| C29 | C28 | C27 | C4 | 0.3° | 0.0° |
| C29 | C28 | C27 | H28 | 179.7° | 180.0° |
| C28 | C29 | C31 | H29 | 179.9° | 179.9° |
| C31 | C3 | C2 | C1 | 109.2° | 91.7° |
| C31 | C3 | C2 | C4 | 179.7° | 179.9° |
| C31 | C3 | C4 | C27 | 0.1° | 0.2° |
| C31 | C3 | C4 | C5 | 179.7° | 179.9° |
| C31 | C3 | C2 | H18 | 12.0° | 148.3° |
| C31 | C3 | C2 | H19 | 129.5° | 28.4° |
| C1 | C2 | C3 | H18 | 121.3° | 120.0° |
| C1 | C2 | C3 | H19 | 121.3° | 120.1° |
| C1 | C2 | C3 | C4 | 71.1° | 88.2° |
| C2 | C1 | H15 | H16 | 120.0° | 119.9° |
| C2 | C1 | H15 | H17 | 120.0° | 120.1° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C1 | C2 | H18 | H19 | 116.0° | 120.0° |
| C28 | C27 | C4 | C3 | 0.2° | 0.3° |
| C28 | C27 | C4 | H28 | 180.0° | 180.0° |
| C28 | C27 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C4 | C27 | 179.8° | 179.7° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | C1 | H15 | 180.0° | 60.0° |
| C3 | C2 | C1 | H16 | 60.0° | 180.0° |
| C3 | C2 | C1 | H17 | 60.0° | 60.0° |
| C3 | C2 | H18 | H19 | 116.0° | 120.0° |
| C2 | C3 | C31 | H29 | 0.2° | 0.4° |
| C3 | C4 | C27 | C5 | 179.6° | 179.7° |
| C3 | C4 | C5 | N6 | 155.9° | 78.4° |
| C3 | C4 | C5 | H1 | 35.2° | 41.6° |
| C3 | C4 | C5 | H2 | 83.3° | 161.5° |
| C4 | C3 | C2 | H18 | 167.7° | 31.8° |
| C4 | C3 | C2 | H19 | 50.2° | 151.7° |
| C3 | C4 | C27 | H28 | 179.8° | 179.7° |
| C4 | C3 | C31 | H29 | 180.0° | 179.7° |
| C27 | C4 | C5 | N6 | 24.5° | 101.3° |
| C27 | C4 | C5 | H1 | 145.2° | 138.7° |
| C27 | C4 | C5 | H2 | 96.2° | 18.8° |
| C4 | C27 | C28 | H14 | 179.8° | 180.0° |
| C4 | C5 | N6 | H1 | 120.7° | 120.0° |
| C4 | C5 | N6 | H2 | 120.8° | 120.0° |
| C4 | C5 | N6 | C10 | 77.4° | 164.5° |
| C4 | C5 | N6 | C7 | 157.7° | 70.2° |
| C4 | C5 | H1 | H2 | 117.7° | 120.0° |
| C5 | C4 | C27 | H28 | 0.2° | 0.0° |
| C5 | N6 | C10 | C7 | 123.1° | 124.6° |
| C5 | N6 | C10 | C11 | 155.5° | 163.7° |
| C5 | N6 | C7 | C8 | 179.1° | 136.6° |
| N6 | C5 | H1 | H2 | 117.7° | 120.0° |
| C5 | N6 | C7 | H3 | 60.2° | 17.6° |
| C5 | N6 | C7 | H4 | 58.4° | 104.4° |
| C5 | N6 | C10 | H7 | 34.4° | 76.0° |
| C5 | N6 | C10 | H8 | 83.4° | 43.4° |
| O16 | C12 | N13 | C14 | 0.6° | 0.1° |
| O16 | C12 | C11 | C10 | 70.4° | 171.9° |
| O16 | C12 | N13 | C11 | 178.3° | 179.9° |
| O16 | C12 | C11 | N17 | 157.5° | 45.4° |
| O16 | C12 | C11 | H23 | 41.7° | 71.3° |
| O16 | C12 | N13 | H24 | 179.4° | 180.0° |
| N6 | C10 | C11 | H7 | 121.1° | 120.3° |
| N6 | C10 | C11 | H8 | 121.1° | 120.3° |
| N6 | C10 | C11 | C12 | 59.8° | 163.4° |
| C10 | N6 | C7 | C8 | 59.9° | 98.7° |
| N6 | C10 | C11 | N17 | 73.3° | 41.7° |
| C10 | N6 | C5 | H1 | 43.3° | 44.6° |
| C10 | N6 | C5 | H2 | 161.8° | 75.4° |
| C10 | N6 | C7 | H3 | 60.8° | 142.2° |
| C10 | N6 | C7 | H4 | 179.4° | 20.3° |
| N6 | C10 | H7 | H8 | 116.5° | 119.4° |
| N6 | C10 | C11 | H23 | 171.9° | 80.1° |
| C7 | N6 | C10 | C11 | 81.4° | 39.0° |
| N6 | C7 | C8 | H3 | 120.7° | 119.0° |
| N6 | C7 | C8 | H4 | 120.7° | 119.1° |
| N6 | C7 | C8 | C9 | 66.6° | 90.3° |
| C7 | N6 | C5 | H1 | 81.6° | 169.8° |
| C7 | N6 | C5 | H2 | 37.0° | 49.8° |
| N6 | C7 | H3 | H4 | 118.0° | 122.1° |
| N6 | C7 | C8 | H5 | 172.6° | 148.4° |
| N6 | C7 | C8 | H6 | 54.3° | 30.9° |
| C7 | N6 | C10 | H7 | 157.5° | 159.3° |
| C7 | N6 | C10 | H8 | 39.7° | 81.3° |
| C15 | C14 | N13 | H25 | 120.5° | 120.0° |
| C15 | C14 | N13 | H26 | 120.5° | 120.0° |
| C15 | C14 | N13 | C12 | 91.0° | 180.0° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C15 | C14 | N13 | H24 | 89.0° | 0.0° |
| C15 | C14 | H25 | H26 | 118.4° | 119.9° |
| C14 | N13 | C12 | H24 | 180.0° | 179.9° |
| C14 | N13 | C12 | C11 | 179.0° | 180.0° |
| N13 | C14 | C15 | H9 | 180.0° | 60.0° |
| N13 | C14 | C15 | H10 | 60.0° | 180.0° |
| N13 | C14 | C15 | H11 | 60.0° | 60.0° |
| N13 | C14 | H25 | H26 | 118.3° | 120.0° |
| C10 | C11 | C12 | N13 | 108.0° | 8.1° |
| C10 | C11 | C12 | N17 | 132.2° | 126.5° |
| C10 | C11 | C12 | H23 | 112.1° | 116.7° |
| C10 | C11 | N17 | H23 | 114.6° | 121.8° |
| C10 | C11 | N17 | C9 | 10.9° | 89.2° |
| C10 | C11 | N17 | C18 | 159.9° | 90.8° |
| C11 | C10 | H7 | H8 | 116.5° | 119.4° |
| N13 | C12 | C11 | N17 | 24.1° | 134.7° |
| N13 | C12 | C11 | H23 | 139.9° | 108.6° |
| C12 | N13 | C14 | H25 | 29.5° | 59.9° |
| C12 | N13 | C14 | H26 | 148.4° | 60.0° |
| C12 | C11 | N17 | H23 | 115.5° | 116.5° |
| C12 | C11 | N17 | C9 | 119.1° | 149.2° |
| C12 | C11 | N17 | C18 | 70.1° | 30.9° |
| C12 | C11 | C10 | H7 | 61.3° | 43.1° |
| C12 | C11 | C10 | H8 | 179.1° | 76.3° |
| C11 | C12 | N13 | H24 | 1.0° | 0.1° |
| C7 | C8 | C9 | H5 | 120.9° | 121.3° |
| C7 | C8 | C9 | H6 | 120.9° | 121.2° |
| C7 | C8 | C9 | N17 | 83.7° | 58.1° |
| C8 | C7 | H3 | H4 | 117.9° | 121.9° |
| C7 | C8 | H5 | H6 | 117.4° | 117.7° |
| C7 | C8 | C9 | H21 | 37.1° | 61.2° |
| C7 | C8 | C9 | H22 | 155.6° | 177.6° |
| C11 | N17 | C9 | C8 | 55.7° | 68.5° |
| C11 | N17 | C9 | C18 | 171.1° | 180.0° |
| C11 | N17 | C18 | C19 | 9.6° | 172.0° |
| C11 | N17 | C18 | O26 | 167.9° | 8.0° |
| N17 | C11 | C10 | H7 | 165.6° | 78.5° |
| N17 | C11 | C10 | H8 | 47.8° | 162.1° |
| C11 | N17 | C9 | H21 | 65.0° | 50.8° |
| C11 | N17 | C9 | H22 | 176.4° | 172.0° |
| C8 | C9 | N17 | H21 | 120.7° | 119.3° |
| C8 | C9 | N17 | H22 | 120.7° | 119.5° |
| C8 | C9 | N17 | C18 | 133.2° | 111.5° |
| C9 | C8 | C7 | H3 | 54.1° | 150.7° |
| C9 | C8 | C7 | H4 | 172.7° | 28.8° |
| C9 | C8 | H5 | H6 | 117.3° | 117.7° |
| C8 | C9 | H21 | H22 | 117.8° | 121.2° |
| C9 | N17 | C18 | C19 | 179.1° | 8.0° |
| C9 | N17 | C18 | O26 | 3.4° | 172.0° |
| N17 | C9 | C8 | H5 | 155.5° | 179.4° |
| N17 | C9 | C8 | H6 | 37.2° | 63.1° |
| N17 | C9 | H21 | H22 | 117.8° | 121.3° |
| C9 | N17 | C11 | H23 | 125.5° | 32.7° |
| N17 | C18 | C19 | C20 | 75.2° | 32.7° |
| N17 | C18 | C19 | C25 | 106.0° | 147.2° |
| N17 | C18 | C19 | O26 | 177.6° | 179.9° |
| C18 | N17 | C9 | H21 | 106.0° | 129.2° |
| C18 | N17 | C9 | H22 | 12.5° | 8.0° |
| C18 | N17 | C11 | H23 | 45.4° | 147.4° |
| N21 | C22 | C23 | H13 | 180.0° | 179.2° |
| C22 | N21 | C20 | C19 | 0.1° | 0.0° |
| N21 | C22 | C23 | CL24 | 179.9° | 179.1° |
| N21 | C22 | C23 | C25 | 0.3° | 0.8° |
| C22 | N21 | C20 | H12 | 179.9° | 179.8° |
| C20 | N21 | C22 | C23 | 0.3° | 0.6° |
| N21 | C20 | C19 | H12 | 180.0° | 179.8° |
| N21 | C20 | C19 | C25 | 0.3° | 0.3° |
| N21 | C20 | C19 | C18 | 179.2° | 179.7° |
| C20 | N21 | C22 | H13 | 179.7° | 179.8° |
| C22 | C23 | CL24 | C25 | 179.8° | 179.9° |
| C22 | C23 | C25 | C19 | 0.0° | 0.5° |
| C22 | C23 | C25 | H27 | 180.0° | 179.5° |
| C20 | C19 | C25 | C23 | 0.3° | 0.0° |
| C20 | C19 | C25 | C18 | 178.9° | 180.0° |
| C20 | C19 | C18 | O26 | 102.4° | 147.2° |
| C20 | C19 | C25 | H27 | 179.7° | 180.0° |
| CL24 | C23 | C25 | C19 | 179.8° | 179.4° |
| CL24 | C23 | C22 | H13 | 0.1° | 0.1° |
| CL24 | C23 | C25 | H27 | 0.2° | 0.6° |
| C23 | C25 | C19 | H27 | 180.0° | 180.0° |
| C23 | C25 | C19 | C18 | 179.2° | 179.9° |
| C25 | C23 | C22 | H13 | 179.7° | 180.0° |
| C25 | C19 | C18 | O26 | 76.4° | 32.8° |
| C25 | C19 | C20 | H12 | 179.6° | 180.0° |
| C18 | C19 | C20 | H12 | 0.8° | 0.1° |
| C18 | C19 | C25 | H27 | 0.8° | 0.0° |
| H3 | C7 | C8 | H5 | 66.8° | 29.4° |
| H3 | C7 | C8 | H6 | 174.9° | 88.1° |
| H4 | C7 | C8 | H5 | 51.9° | 92.5° |
| H4 | C7 | C8 | H6 | 66.4° | 150.0° |
| H5 | C8 | C9 | H21 | 83.8° | 60.1° |
| H5 | C8 | C9 | H22 | 34.8° | 61.1° |
| H6 | C8 | C9 | H21 | 157.9° | 177.6° |
| H6 | C8 | C9 | H22 | 83.5° | 56.4° |
| H7 | C10 | C11 | H23 | 50.8° | 159.6° |
| H8 | C10 | C11 | H23 | 67.1° | 40.2° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H9 | C15 | C14 | H25 | 59.5° | 180.0° |
| H9 | C15 | C14 | H26 | 59.5° | 60.1° |
| H10 | C15 | C14 | H25 | 60.5° | 59.9° |
| H10 | C15 | C14 | H26 | 179.5° | 60.0° |
| H11 | C15 | C14 | H25 | 179.5° | 60.0° |
| H11 | C15 | C14 | H26 | 60.5° | 180.0° |
| H14 | C28 | C27 | H28 | 0.2° | 0.0° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
| H15 | C1 | C2 | H18 | 58.8° | 180.0° |
| H15 | C1 | C2 | H19 | 58.7° | 60.0° |
| H16 | C1 | C2 | H18 | 61.3° | 60.1° |
| H16 | C1 | C2 | H19 | 178.7° | 59.9° |
| H17 | C1 | C2 | H18 | 178.8° | 60.0° |
| H17 | C1 | C2 | H19 | 61.3° | 180.0° |
| H24 | N13 | C14 | H25 | 150.5° | 120.0° |
| H24 | N13 | C14 | H26 | 31.6° | 120.0° |
