213
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | C30 | sing | 1.51Å | 1.65Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.38Å | 1.61Å | Aromatic |
| C11 | C35 | sing | 1.51Å | 1.63Å | |
| C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C52 | sing | 1.51Å | 1.45Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C32 | sing | 1.51Å | 1.60Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C61 | sing | 1.48Å | 1.56Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C30 | N31 | sing | 1.47Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.58Å | |
| C30 | C35 | sing | 1.53Å | 1.59Å | |
| N31 | C43 | sing | 1.37Å | 1.42Å | Aromatic |
| N31 | N47 | sing | 1.40Å | 1.36Å | Aromatic |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C40 | C41 | doub | 1.36Å | 1.42Å | Aromatic |
| C40 | C45 | sing | 1.39Å | 1.43Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | sing | 1.40Å | 1.39Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | C43 | doub | 1.41Å | 1.45Å | Aromatic |
| C42 | N46 | sing | 1.35Å | 1.35Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.42Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.43Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C45 | H45 | sing | 1.08Å | 1.10Å | |
| N46 | N47 | doub | 1.29Å | 1.34Å | Aromatic |
| C52 | F53 | sing | 1.40Å | 1.29Å | |
| C52 | F54 | sing | 1.40Å | 1.44Å | |
| C52 | P55 | sing | 1.82Å | 1.80Å | |
| P55 | O56 | sing | 1.61Å | 1.47Å | |
| P55 | O57 | doub | 1.48Å | 1.49Å | |
| P55 | O58 | sing | 1.61Å | 1.55Å | |
| O56 | H56 | sing | 0.97Å | 0.95Å | |
| O58 | H58 | sing | 0.97Å | 0.95Å | |
| C61 | C62 | doub | 1.39Å | 1.42Å | Aromatic |
| C61 | C66 | sing | 1.39Å | 1.39Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.40Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C63 | C64 | doub | 1.38Å | 1.41Å | Aromatic |
| C63 | P71 | sing | 1.81Å | 1.79Å | |
| C64 | C65 | sing | 1.38Å | 1.42Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | doub | 1.38Å | 1.42Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.10Å | |
| C66 | H66 | sing | 1.08Å | 1.10Å | |
| P71 | O72 | doub | 1.48Å | 1.53Å | |
| P71 | O73 | sing | 1.61Å | 1.45Å | |
| P71 | O74 | sing | 1.61Å | 1.55Å | |
| O73 | H73 | sing | 0.97Å | 0.95Å | |
| O74 | H74 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.6° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C6 | C1 | H1 | 119.3° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C1 | C6 | H6 | 119.8° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.1° |
| C2 | C3 | H3 | 119.4° | 120.0° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | C5 | 117.9° | 119.9° |
| C3 | C4 | C30 | 119.6° | 120.0° |
| C5 | C4 | C30 | 122.5° | 120.0° |
| C4 | C5 | C6 | 121.5° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C4 | C30 | N31 | 108.5° | 109.5° |
| C4 | C30 | C32 | 107.6° | 109.5° |
| C4 | C30 | C35 | 109.3° | 109.5° |
| C6 | C5 | H5 | 118.6° | 120.0° |
| C5 | C6 | H6 | 120.6° | 120.0° |
| C11 | C10 | C15 | 122.7° | 120.0° |
| C11 | C10 | H10 | 116.6° | 120.0° |
| C10 | C11 | C12 | 116.4° | 119.9° |
| C10 | C11 | C35 | 123.4° | 120.0° |
| C15 | C10 | H10 | 120.7° | 120.0° |
| C10 | C15 | C14 | 121.2° | 120.0° |
| C10 | C15 | H15 | 119.0° | 120.0° |
| C12 | C11 | C35 | 120.2° | 120.0° |
| C11 | C12 | C13 | 117.5° | 120.0° |
| C11 | C12 | H12 | 128.9° | 120.0° |
| C11 | C35 | C30 | 116.1° | 109.5° |
| C11 | C35 | H351 | 109.8° | 109.5° |
| C11 | C35 | H352 | 109.8° | 109.5° |
| C13 | C12 | H12 | 113.5° | 120.0° |
| C12 | C13 | C14 | 123.1° | 120.0° |
| C12 | C13 | H13 | 116.8° | 120.0° |
| C14 | C13 | H13 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.1° | 120.0° |
| C13 | C14 | C52 | 124.2° | 120.0° |
| C15 | C14 | C52 | 116.6° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C14 | C52 | F53 | 114.6° | 109.4° |
| C14 | C52 | F54 | 110.2° | 109.4° |
| C14 | C52 | P55 | 116.9° | 109.5° |
| C21 | C20 | C25 | 118.7° | 120.1° |
| C21 | C20 | H20 | 119.5° | 119.9° |
| C20 | C21 | C22 | 122.3° | 120.2° |
| C20 | C21 | C32 | 121.4° | 119.9° |
| C25 | C20 | H20 | 121.8° | 119.9° |
| C20 | C25 | C24 | 121.4° | 119.8° |
| C20 | C25 | H25 | 119.1° | 120.1° |
| C22 | C21 | C32 | 116.4° | 119.9° |
| C21 | C22 | C23 | 118.3° | 120.1° |
| C21 | C22 | H22 | 120.8° | 119.9° |
| C21 | C32 | C30 | 121.3° | 109.5° |
| C21 | C32 | H321 | 108.0° | 109.4° |
| C21 | C32 | H322 | 108.0° | 109.5° |
| C23 | C22 | H22 | 120.9° | 120.0° |
| C22 | C23 | C24 | 121.7° | 119.9° |
| C22 | C23 | H23 | 118.9° | 120.0° |
| C24 | C23 | H23 | 119.4° | 120.1° |
| C23 | C24 | C25 | 117.6° | 119.8° |
| C23 | C24 | C61 | 116.6° | 120.1° |
| C25 | C24 | C61 | 125.8° | 120.1° |
| C24 | C25 | H25 | 119.5° | 120.1° |
| C24 | C61 | C62 | 112.8° | 120.1° |
| C24 | C61 | C66 | 129.5° | 120.1° |
| N31 | C30 | C32 | 111.7° | 109.4° |
| N31 | C30 | C35 | 108.0° | 109.4° |
| C30 | N31 | C43 | 126.9° | 126.8° |
| C30 | N31 | N47 | 118.8° | 126.7° |
| C32 | C30 | C35 | 111.6° | 109.5° |
| C30 | C32 | H321 | 108.0° | 109.5° |
| C30 | C32 | H322 | 108.0° | 109.5° |
| C30 | C35 | H351 | 109.8° | 109.5° |
| C30 | C35 | H352 | 109.8° | 109.4° |
| C43 | N31 | N47 | 114.3° | 106.5° |
| N31 | C43 | C42 | 102.8° | 106.1° |
| N31 | C43 | C44 | 138.8° | 134.0° |
| N31 | N47 | N46 | 101.2° | 109.4° |
| H321 | C32 | H322 | 101.9° | 109.5° |
| H351 | C35 | H352 | 100.4° | 109.5° |
| C41 | C40 | C45 | 119.9° | 120.8° |
| C41 | C40 | H40 | 119.8° | 119.6° |
| C40 | C41 | C42 | 119.9° | 120.0° |
| C40 | C41 | H41 | 121.2° | 120.0° |
| C45 | C40 | H40 | 120.3° | 119.6° |
| C40 | C45 | C44 | 119.9° | 120.4° |
| C40 | C45 | H45 | 119.9° | 119.8° |
| C42 | C41 | H41 | 118.9° | 120.0° |
| C41 | C42 | C43 | 121.6° | 119.3° |
| C41 | C42 | N46 | 135.0° | 133.1° |
| C43 | C42 | N46 | 103.4° | 107.6° |
| C42 | C43 | C44 | 118.3° | 119.9° |
| C42 | N46 | N47 | 118.3° | 110.3° |
| C43 | C44 | C45 | 120.3° | 119.7° |
| C43 | C44 | H44 | 119.3° | 120.1° |
| C45 | C44 | H44 | 120.4° | 120.1° |
| C44 | C45 | H45 | 120.2° | 119.8° |
| F53 | C52 | F54 | 106.4° | 109.5° |
| F53 | C52 | P55 | 105.7° | 109.5° |
| F54 | C52 | P55 | 101.7° | 109.5° |
| C52 | P55 | O56 | 107.3° | 109.5° |
| C52 | P55 | O57 | 105.3° | 109.4° |
| C52 | P55 | O58 | 104.2° | 109.5° |
| O56 | P55 | O57 | 112.6° | 109.5° |
| O56 | P55 | O58 | 116.2° | 109.5° |
| P55 | O56 | H56 | 107.3° | 106.8° |
| O57 | P55 | O58 | 110.3° | 109.5° |
| P55 | O58 | H58 | 104.2° | 106.8° |
| C62 | C61 | C66 | 117.6° | 119.8° |
| C61 | C62 | C63 | 121.9° | 119.9° |
| C61 | C62 | H62 | 119.6° | 120.0° |
| C61 | C66 | C65 | 121.6° | 119.9° |
| C61 | C66 | H66 | 118.3° | 120.0° |
| C63 | C62 | H62 | 118.5° | 120.1° |
| C62 | C63 | C64 | 120.0° | 120.1° |
| C62 | C63 | P71 | 119.6° | 119.9° |
| C64 | C63 | P71 | 120.4° | 120.0° |
| C63 | C64 | C65 | 118.7° | 120.3° |
| C63 | C64 | H64 | 120.4° | 119.9° |
| C63 | P71 | O72 | 106.7° | 109.5° |
| C63 | P71 | O73 | 110.9° | 109.5° |
| C63 | P71 | O74 | 108.4° | 109.5° |
| C65 | C64 | H64 | 120.9° | 119.8° |
| C64 | C65 | C66 | 120.1° | 120.1° |
| C64 | C65 | H65 | 120.0° | 120.0° |
| C66 | C65 | H65 | 119.9° | 120.0° |
| C65 | C66 | H66 | 120.1° | 120.1° |
| O72 | P71 | O73 | 111.0° | 109.5° |
| O72 | P71 | O74 | 108.3° | 109.5° |
| O73 | P71 | O74 | 111.4° | 109.5° |
| P71 | O73 | H73 | 110.9° | 106.8° |
| P71 | O74 | H74 | 108.4° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.2° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 179.9° |
| H1 | C1 | C2 | H2 | 0.1° | 0.1° |
| H1 | C1 | C6 | C5 | 179.9° | 179.8° |
| H1 | C1 | C6 | H6 | 0.2° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.3° |
| C2 | C3 | C4 | C30 | 179.1° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C5 | C30 | 179.2° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C3 | C4 | C30 | N31 | 57.2° | 173.3° |
| C3 | C4 | C30 | C32 | 178.3° | 53.3° |
| C3 | C4 | C30 | C35 | 60.4° | 66.7° |
| H3 | C3 | C4 | C5 | 179.9° | 179.7° |
| H3 | C3 | C4 | C30 | 0.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C4 | C30 | N31 | 121.9° | 6.4° |
| C5 | C4 | C30 | C32 | 0.9° | 126.4° |
| C5 | C4 | C30 | C35 | 120.5° | 113.6° |
| C30 | C4 | C5 | C6 | 179.1° | 179.8° |
| C30 | C4 | C5 | H5 | 0.9° | 0.2° |
| C4 | C30 | C35 | C11 | 67.8° | 54.1° |
| C4 | C30 | C32 | C21 | 178.8° | 175.4° |
| C4 | C30 | N31 | C32 | 118.4° | 120.0° |
| C4 | C30 | N31 | C35 | 118.4° | 120.0° |
| C4 | C30 | C32 | C35 | 119.9° | 120.1° |
| C4 | C30 | N31 | C43 | 45.6° | 63.2° |
| C4 | C30 | N31 | N47 | 135.0° | 116.4° |
| C4 | C30 | C32 | H321 | 55.9° | 64.6° |
| C4 | C30 | C32 | H322 | 53.5° | 55.4° |
| C4 | C30 | C35 | H351 | 57.4° | 174.1° |
| C4 | C30 | C35 | H352 | 166.9° | 65.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.2° |
| C11 | C10 | C15 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C35 | 179.8° | 179.7° |
| C10 | C11 | C12 | C13 | 0.3° | 0.5° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| C11 | C10 | C15 | C14 | 0.0° | 0.0° |
| C11 | C10 | C15 | H15 | 179.9° | 180.0° |
| C10 | C11 | C35 | C30 | 96.0° | 97.8° |
| C10 | C11 | C35 | H351 | 138.7° | 22.2° |
| C10 | C11 | C35 | H352 | 29.2° | 142.2° |
| C15 | C10 | C11 | C12 | 0.3° | 0.3° |
| C15 | C10 | C11 | C35 | 179.5° | 180.0° |
| C10 | C15 | C14 | C13 | 0.3° | 0.1° |
| C10 | C15 | C14 | H15 | 180.0° | 179.9° |
| C10 | C15 | C14 | C52 | 179.9° | 180.0° |
| H10 | C10 | C11 | C12 | 179.7° | 179.7° |
| H10 | C10 | C11 | C35 | 0.5° | 0.0° |
| H10 | C10 | C15 | C14 | 180.0° | 180.0° |
| H10 | C10 | C15 | H15 | 0.1° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.5° |
| C11 | C12 | C13 | C14 | 0.0° | 0.4° |
| C11 | C12 | C13 | H13 | 180.0° | 179.7° |
| C12 | C11 | C35 | C30 | 83.8° | 82.5° |
| C12 | C11 | C35 | H351 | 41.5° | 157.5° |
| C12 | C11 | C35 | H352 | 151.0° | 37.5° |
| C35 | C11 | C12 | C13 | 179.5° | 179.8° |
| C35 | C11 | C12 | H12 | 0.5° | 0.3° |
| C11 | C35 | C30 | N31 | 174.3° | 65.9° |
| C11 | C35 | C30 | C32 | 51.1° | 174.2° |
| C11 | C35 | C30 | H351 | 125.3° | 120.0° |
| C11 | C35 | C30 | H352 | 125.3° | 120.0° |
| C11 | C35 | H351 | H352 | 115.6° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C12 | C13 | C14 | C52 | 179.9° | 179.8° |
| H12 | C12 | C13 | C14 | 180.0° | 179.9° |
| H12 | C12 | C13 | H13 | 0.0° | 0.2° |
| C13 | C14 | C15 | C52 | 179.8° | 180.0° |
| C13 | C14 | C15 | H15 | 179.6° | 180.0° |
| C13 | C14 | C52 | F53 | 27.8° | 35.0° |
| C13 | C14 | C52 | F54 | 147.8° | 155.0° |
| C13 | C14 | C52 | P55 | 96.7° | 85.0° |
| H13 | C13 | C14 | C15 | 179.7° | 180.0° |
| H13 | C13 | C14 | C52 | 0.1° | 0.0° |
| C15 | C14 | C52 | F53 | 152.4° | 145.1° |
| C15 | C14 | C52 | F54 | 32.4° | 25.1° |
| C15 | C14 | C52 | P55 | 83.1° | 95.0° |
| C52 | C14 | C15 | H15 | 0.2° | 0.0° |
| C14 | C52 | F53 | F54 | 122.1° | 120.0° |
| C14 | C52 | F53 | P55 | 130.3° | 120.0° |
| C14 | C52 | F54 | P55 | 124.7° | 120.0° |
| C14 | C52 | P55 | O56 | 61.8° | 55.1° |
| C14 | C52 | P55 | O57 | 178.0° | 175.1° |
| C14 | C52 | P55 | O58 | 61.9° | 64.9° |
| C21 | C20 | C25 | H20 | 180.0° | 179.9° |
| C20 | C21 | C22 | C32 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.3° |
| C20 | C21 | C22 | H22 | 179.6° | 180.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.0° |
| C21 | C20 | C25 | H25 | 179.8° | 180.0° |
| C20 | C21 | C32 | C30 | 48.4° | 94.9° |
| C20 | C21 | C32 | H321 | 76.9° | 145.1° |
| C20 | C21 | C32 | H322 | 173.6° | 25.1° |
| C25 | C20 | C21 | C22 | 0.5° | 0.0° |
| C25 | C20 | C21 | C32 | 179.4° | 179.9° |
| C20 | C25 | C24 | C23 | 0.3° | 0.3° |
| C20 | C25 | C24 | H25 | 180.0° | 180.0° |
| C20 | C25 | C24 | C61 | 178.4° | 180.0° |
| H20 | C20 | C21 | C22 | 179.4° | 180.0° |
| H20 | C20 | C21 | C32 | 0.6° | 0.0° |
| H20 | C20 | C25 | C24 | 179.8° | 180.0° |
| H20 | C20 | C25 | H25 | 0.2° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.0° | 0.5° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C22 | C21 | C32 | C30 | 131.6° | 85.0° |
| C22 | C21 | C32 | H321 | 103.1° | 34.9° |
| C22 | C21 | C32 | H322 | 6.4° | 154.9° |
| C32 | C21 | C22 | C23 | 179.5° | 179.7° |
| C32 | C21 | C22 | H22 | 0.5° | 0.0° |
| C21 | C32 | C30 | N31 | 62.2° | 55.4° |
| C21 | C32 | C30 | H321 | 125.3° | 120.0° |
| C21 | C32 | C30 | H322 | 125.3° | 120.0° |
| C21 | C32 | C30 | C35 | 58.9° | 64.5° |
| C21 | C32 | H321 | H322 | 113.6° | 120.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.5° |
| C22 | C23 | C24 | C25 | 0.4° | 0.5° |
| C22 | C23 | C24 | C61 | 178.4° | 179.7° |
| H22 | C22 | C23 | C24 | 180.0° | 179.8° |
| H22 | C22 | C23 | H23 | 0.0° | 0.3° |
| C23 | C24 | C25 | C61 | 178.7° | 179.7° |
| C23 | C24 | C25 | H25 | 179.7° | 179.8° |
| C23 | C24 | C61 | C62 | 41.3° | 35.6° |
| C23 | C24 | C61 | C66 | 139.1° | 144.7° |
| H23 | C23 | C24 | C25 | 179.6° | 180.0° |
| H23 | C23 | C24 | C61 | 1.5° | 0.2° |
| C25 | C24 | C61 | C62 | 137.4° | 144.2° |
| C25 | C24 | C61 | C66 | 42.2° | 35.6° |
| C61 | C24 | C25 | H25 | 1.6° | 0.0° |
| C24 | C61 | C62 | C66 | 179.6° | 179.7° |
| C24 | C61 | C62 | C63 | 179.6° | 179.7° |
| C24 | C61 | C62 | H62 | 0.3° | 0.3° |
| C24 | C61 | C66 | C65 | 179.5° | 180.0° |
| C24 | C61 | C66 | H66 | 0.4° | 0.0° |
| N31 | C30 | C32 | C35 | 121.1° | 119.9° |
| C30 | N31 | C43 | N47 | 179.4° | 179.7° |
| N31 | C30 | C32 | H321 | 63.0° | 175.4° |
| N31 | C30 | C32 | H322 | 172.5° | 64.6° |
| N31 | C30 | C35 | H351 | 60.5° | 54.1° |
| N31 | C30 | C35 | H352 | 49.0° | 174.1° |
| C30 | N31 | C43 | C42 | 179.0° | 179.9° |
| C30 | N31 | C43 | C44 | 0.6° | 0.8° |
| C30 | N31 | N47 | N46 | 179.1° | 179.9° |
| C32 | C30 | N31 | C43 | 72.8° | 56.8° |
| C32 | C30 | N31 | N47 | 106.6° | 123.6° |
| C30 | C32 | H321 | H322 | 113.6° | 120.0° |
| C32 | C30 | C35 | H351 | 176.3° | 65.8° |
| C32 | C30 | C35 | H352 | 74.2° | 54.2° |
| C35 | C30 | N31 | C43 | 164.1° | 176.8° |
| C35 | C30 | N31 | N47 | 16.6° | 3.6° |
| C35 | C30 | C32 | H321 | 175.9° | 55.4° |
| C35 | C30 | C32 | H322 | 66.4° | 175.5° |
| C30 | C35 | H351 | H352 | 115.6° | 120.0° |
| N31 | C43 | C42 | C41 | 179.8° | 179.8° |
| N31 | C43 | C42 | C44 | 179.7° | 179.3° |
| N31 | C43 | C42 | N46 | 0.3° | 0.4° |
| N31 | C43 | C44 | C45 | 179.9° | 179.6° |
| N31 | C43 | C44 | H44 | 0.1° | 0.7° |
| C43 | N31 | N47 | N46 | 0.3° | 0.3° |
| N47 | N31 | C43 | C42 | 0.4° | 0.4° |
| N31 | N47 | N46 | C42 | 0.1° | 0.0° |
| N47 | N31 | C43 | C44 | 180.0° | 179.5° |
| C41 | C40 | C45 | H40 | 180.0° | 179.9° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.2° | 0.2° |
| C40 | C41 | C42 | N46 | 179.7° | 180.0° |
| C41 | C40 | C45 | C44 | 0.1° | 0.1° |
| C41 | C40 | C45 | H45 | 179.9° | 179.9° |
| C45 | C40 | C41 | C42 | 0.2° | 0.1° |
| C45 | C40 | C41 | H41 | 179.8° | 180.0° |
| C40 | C45 | C44 | C43 | 0.4° | 0.2° |
| C40 | C45 | C44 | H45 | 180.0° | 180.0° |
| C40 | C45 | C44 | H44 | 179.6° | 179.9° |
| H40 | C40 | C41 | C42 | 179.8° | 180.0° |
| H40 | C40 | C41 | H41 | 0.2° | 0.1° |
| H40 | C40 | C45 | C44 | 179.9° | 180.0° |
| H40 | C40 | C45 | H45 | 0.1° | 0.1° |
| C41 | C42 | C43 | N46 | 179.9° | 179.8° |
| C41 | C42 | C43 | C44 | 0.1° | 0.5° |
| C41 | C42 | N46 | N47 | 180.0° | 180.0° |
| H41 | C41 | C42 | C43 | 179.9° | 179.7° |
| H41 | C41 | C42 | N46 | 0.3° | 0.0° |
| C42 | C43 | C44 | C45 | 0.4° | 0.5° |
| C42 | C43 | C44 | H44 | 179.6° | 179.8° |
| C43 | C42 | N46 | N47 | 0.2° | 0.3° |
| N46 | C42 | C43 | C44 | 180.0° | 179.7° |
| C43 | C44 | C45 | H44 | 180.0° | 179.7° |
| C43 | C44 | C45 | H45 | 179.7° | 179.7° |
| H44 | C44 | C45 | H45 | 0.4° | 0.0° |
| F53 | C52 | F54 | P55 | 110.5° | 120.1° |
| F53 | C52 | P55 | O56 | 67.1° | 175.0° |
| F53 | C52 | P55 | O57 | 53.1° | 65.0° |
| F53 | C52 | P55 | O58 | 169.2° | 55.0° |
| F54 | C52 | P55 | O56 | 178.1° | 64.9° |
| F54 | C52 | P55 | O57 | 58.0° | 55.1° |
| F54 | C52 | P55 | O58 | 58.2° | 175.1° |
| C52 | P55 | O56 | O57 | 115.4° | 120.0° |
| C52 | P55 | O56 | O58 | 116.0° | 120.0° |
| C52 | P55 | O57 | O58 | 111.9° | 120.0° |
| C52 | P55 | O56 | H56 | 180.0° | 60.0° |
| C52 | P55 | O58 | H58 | 180.0° | 180.0° |
| O56 | P55 | O57 | O58 | 131.5° | 120.0° |
| O56 | P55 | O58 | H58 | 62.3° | 60.0° |
| O57 | P55 | O56 | H56 | 64.6° | 179.9° |
| O57 | P55 | O58 | H58 | 67.4° | 60.0° |
| O58 | P55 | O56 | H56 | 64.0° | 60.0° |
| C61 | C62 | C63 | H62 | 180.0° | 179.5° |
| C61 | C62 | C63 | C64 | 0.0° | 0.5° |
| C61 | C62 | C63 | P71 | 179.9° | 179.7° |
| C62 | C61 | C66 | C65 | 0.0° | 0.3° |
| C62 | C61 | C66 | H66 | 180.0° | 179.8° |
| C66 | C61 | C62 | C63 | 0.0° | 0.5° |
| C66 | C61 | C62 | H62 | 179.9° | 180.0° |
| C61 | C66 | C65 | C64 | 0.0° | 0.0° |
| C61 | C66 | C65 | H66 | 180.0° | 180.0° |
| C61 | C66 | C65 | H65 | 179.9° | 180.0° |
| C62 | C63 | C64 | P71 | 179.9° | 179.8° |
| C62 | C63 | C64 | C65 | 0.1° | 0.2° |
| C62 | C63 | C64 | H64 | 179.9° | 179.7° |
| C62 | C63 | P71 | O72 | 56.6° | 65.3° |
| C62 | C63 | P71 | O73 | 177.6° | 174.7° |
| C62 | C63 | P71 | O74 | 59.8° | 54.8° |
| H62 | C62 | C63 | C64 | 180.0° | 180.0° |
| H62 | C62 | C63 | P71 | 0.1° | 0.2° |
| C63 | C64 | C65 | H64 | 180.0° | 180.0° |
| C63 | C64 | C65 | C66 | 0.1° | 0.0° |
| C63 | C64 | C65 | H65 | 179.9° | 180.0° |
| C64 | C63 | P71 | O72 | 123.5° | 115.0° |
| C64 | C63 | P71 | O73 | 2.5° | 5.0° |
| C64 | C63 | P71 | O74 | 120.1° | 125.0° |
| P71 | C63 | C64 | C65 | 180.0° | 180.0° |
| P71 | C63 | C64 | H64 | 0.0° | 0.0° |
| C63 | P71 | O72 | O73 | 120.9° | 120.0° |
| C63 | P71 | O72 | O74 | 116.5° | 120.0° |
| C63 | P71 | O73 | O74 | 120.8° | 120.0° |
| C63 | P71 | O73 | H73 | 180.0° | 180.0° |
| C63 | P71 | O74 | H74 | 180.0° | 60.0° |
| C64 | C65 | C66 | H65 | 180.0° | 180.0° |
| C64 | C65 | C66 | H66 | 180.0° | 180.0° |
| H64 | C64 | C65 | C66 | 179.9° | 180.0° |
| H64 | C64 | C65 | H65 | 0.1° | 0.0° |
| H65 | C65 | C66 | H66 | 0.0° | 0.0° |
| O72 | P71 | O73 | O74 | 120.7° | 120.0° |
| O72 | P71 | O73 | H73 | 61.6° | 60.0° |
| O72 | P71 | O74 | H74 | 64.6° | 180.0° |
| O73 | P71 | O74 | H74 | 57.7° | 59.9° |
| O74 | P71 | O73 | H73 | 59.2° | 60.0° |
