WK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C90 | C13 | sing | 1.51Å | 1.52Å | |
| O5 | C21 | doub | 1.22Å | 1.28Å | |
| C13 | C12 | doub | 1.31Å | 1.36Å | |
| N | C21 | sing | 1.34Å | 1.34Å | |
| N | C22 | sing | 1.46Å | 1.47Å | |
| C21 | C24 | sing | 1.47Å | 1.49Å | |
| C12 | C8 | sing | 1.51Å | 1.55Å | |
| C12 | C14 | sing | 1.51Å | 1.54Å | |
| C22 | C20 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.51Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.60Å | |
| C8 | C7 | sing | 1.50Å | 1.52Å | |
| O | C17 | doub | 1.21Å | 1.22Å | |
| C24 | C23 | sing | 1.47Å | 1.44Å | |
| C24 | C16 | doub | 1.38Å | 1.48Å | |
| C9 | C16 | sing | 1.51Å | 1.49Å | |
| C9 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C11 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C | sing | 1.53Å | 1.53Å | |
| C23 | O4 | doub | 1.21Å | 1.29Å | |
| C17 | C19 | sing | 1.51Å | 1.48Å | |
| C17 | O1 | sing | 1.34Å | 1.31Å | |
| C16 | O3 | sing | 1.34Å | 1.33Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C6 | sing | 1.50Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | doub | 1.30Å | 1.32Å | |
| C1 | C10 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | O2 | sing | 1.43Å | 1.43Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| N | H29 | sing | 0.97Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C8 | HF3 | sing | 1.09Å | 1.10Å | |
| C13 | H150 | sing | 1.08Å | 1.08Å | |
| C90 | H902 | sing | 1.09Å | 1.10Å | |
| C90 | H90 | sing | 1.09Å | 1.10Å | |
| C90 | H901 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | HF1 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | HH4 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | HF2 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C90 | C13 | C12 | 123.1° | 120.0° |
| C90 | C13 | H150 | 118.5° | 120.0° |
| C13 | C90 | H902 | 109.5° | 109.5° |
| C13 | C90 | H90 | 109.5° | 109.4° |
| C13 | C90 | H901 | 109.4° | 109.4° |
| O5 | C21 | N | 121.4° | 124.6° |
| O5 | C21 | C24 | 126.2° | 124.7° |
| C13 | C12 | C8 | 119.8° | 120.0° |
| C13 | C12 | C14 | 118.4° | 120.1° |
| C12 | C13 | H150 | 118.5° | 120.0° |
| C21 | N | C22 | 111.6° | 110.2° |
| N | C21 | C24 | 112.4° | 110.7° |
| C21 | N | H29 | 124.2° | 124.9° |
| N | C22 | C20 | 115.9° | 110.1° |
| N | C22 | C23 | 100.6° | 106.5° |
| N | C22 | H221 | 106.7° | 110.1° |
| C22 | N | H29 | 124.2° | 124.9° |
| C21 | C24 | C23 | 100.1° | 107.4° |
| C21 | C24 | C16 | 134.0° | 126.3° |
| C8 | C12 | C14 | 121.8° | 120.0° |
| C12 | C8 | C9 | 120.4° | 109.2° |
| C12 | C8 | C7 | 105.2° | 109.2° |
| C12 | C8 | HF3 | 106.7° | 109.1° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| C12 | C14 | H10 | 109.5° | 109.4° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C20 | C22 | C23 | 119.9° | 110.0° |
| C22 | C20 | C19 | 109.1° | 109.4° |
| C22 | C20 | H27 | 109.5° | 109.5° |
| C22 | C20 | H28 | 109.6° | 109.5° |
| C20 | C22 | H221 | 106.3° | 110.0° |
| C22 | C23 | C24 | 114.8° | 105.2° |
| C22 | C23 | O4 | 126.3° | 127.5° |
| C23 | C22 | H221 | 106.6° | 110.0° |
| C20 | C19 | C17 | 103.4° | 109.5° |
| C20 | C19 | C18 | 118.7° | 109.5° |
| C20 | C19 | O2 | 108.8° | 109.5° |
| C19 | C20 | H27 | 109.6° | 109.5° |
| C19 | C20 | H28 | 109.6° | 109.5° |
| C9 | C8 | C7 | 110.5° | 110.8° |
| C8 | C9 | C16 | 100.4° | 109.8° |
| C8 | C9 | C4 | 112.8° | 108.2° |
| C8 | C9 | H91 | 108.2° | 109.8° |
| C9 | C8 | HF3 | 106.3° | 109.2° |
| C8 | C7 | C6 | 118.0° | 124.7° |
| C7 | C8 | HF3 | 107.1° | 109.2° |
| C8 | C7 | H8 | 121.0° | 117.7° |
| O | C17 | C19 | 121.0° | 120.0° |
| O | C17 | O1 | 121.7° | 120.0° |
| C23 | C24 | C16 | 125.8° | 126.3° |
| C24 | C23 | O4 | 118.6° | 127.4° |
| C24 | C16 | C9 | 117.0° | 120.0° |
| C24 | C16 | O3 | 117.6° | 120.0° |
| C16 | C9 | C4 | 116.7° | 109.7° |
| C9 | C16 | O3 | 124.8° | 120.0° |
| C16 | C9 | H91 | 109.5° | 109.7° |
| C9 | C4 | C5 | 112.9° | 111.3° |
| C9 | C4 | C3 | 111.1° | 108.3° |
| C4 | C9 | H91 | 108.8° | 109.7° |
| C9 | C4 | H41 | 107.8° | 109.4° |
| C11 | C5 | C4 | 111.2° | 109.6° |
| C11 | C5 | C | 112.1° | 109.6° |
| C11 | C5 | HH4 | 107.5° | 109.6° |
| C5 | C11 | H13 | 109.5° | 109.5° |
| C5 | C11 | H12 | 109.5° | 109.5° |
| C5 | C11 | H11 | 109.5° | 109.5° |
| C4 | C5 | C | 111.0° | 108.7° |
| C5 | C4 | C3 | 108.8° | 109.0° |
| C5 | C4 | H41 | 108.0° | 109.4° |
| C4 | C5 | HH4 | 107.5° | 109.6° |
| C5 | C | C1 | 112.0° | 110.1° |
| C | C5 | HH4 | 107.4° | 109.7° |
| C5 | C | H4 | 108.8° | 109.4° |
| C5 | C | H3 | 108.9° | 109.4° |
| C19 | C17 | O1 | 117.3° | 120.0° |
| C17 | C19 | C18 | 108.1° | 109.5° |
| C17 | C19 | O2 | 110.6° | 109.5° |
| C17 | O1 | H16 | 109.5° | 117.0° |
| C16 | O3 | HO3 | 109.5° | 117.0° |
| C4 | C3 | C6 | 110.7° | 109.9° |
| C4 | C3 | C2 | 111.5° | 109.1° |
| C4 | C3 | HF1 | 108.1° | 108.2° |
| C3 | C4 | H41 | 108.0° | 109.4° |
| C | C1 | C10 | 114.0° | 109.4° |
| C | C1 | C2 | 107.0° | 110.1° |
| C | C1 | HF2 | 108.7° | 109.3° |
| C1 | C | H4 | 108.8° | 109.3° |
| C1 | C | H3 | 108.8° | 109.3° |
| C6 | C3 | C2 | 109.7° | 112.0° |
| C3 | C6 | C7 | 117.2° | 123.0° |
| C3 | C6 | H7 | 121.4° | 118.5° |
| C6 | C3 | HF1 | 108.4° | 108.8° |
| C3 | C2 | C1 | 104.9° | 108.8° |
| C2 | C3 | HF1 | 108.3° | 108.8° |
| C3 | C2 | H5 | 110.6° | 109.6° |
| C3 | C2 | H6 | 110.6° | 109.6° |
| C6 | C7 | H8 | 121.0° | 117.7° |
| C7 | C6 | H7 | 121.4° | 118.5° |
| C10 | C1 | C2 | 109.4° | 109.3° |
| C10 | C1 | HF2 | 108.8° | 109.4° |
| C1 | C10 | H17 | 109.5° | 109.5° |
| C1 | C10 | H15 | 109.5° | 109.5° |
| C1 | C10 | H14 | 109.5° | 109.4° |
| C1 | C2 | H5 | 110.6° | 109.6° |
| C1 | C2 | H6 | 110.6° | 109.7° |
| C2 | C1 | HF2 | 108.9° | 109.4° |
| C18 | C19 | O2 | 107.1° | 109.4° |
| C19 | C18 | H26 | 109.5° | 109.5° |
| C19 | C18 | H25 | 109.4° | 109.5° |
| C19 | C18 | H24 | 109.5° | 109.4° |
| C19 | O2 | H23 | 109.5° | 114.0° |
| H26 | C18 | H25 | 109.5° | 109.5° |
| H26 | C18 | H24 | 109.5° | 109.5° |
| H25 | C18 | H24 | 109.4° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.4° |
| H902 | C90 | H90 | 109.5° | 109.5° |
| H902 | C90 | H901 | 109.5° | 109.5° |
| H90 | C90 | H901 | 109.5° | 109.4° |
| H18 | C14 | H10 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H10 | C14 | H19 | 109.4° | 109.4° |
| H13 | C11 | H12 | 109.5° | 109.5° |
| H13 | C11 | H11 | 109.5° | 109.5° |
| H12 | C11 | H11 | 109.5° | 109.4° |
| H5 | C2 | H6 | 109.5° | 109.6° |
| H17 | C10 | H15 | 109.4° | 109.5° |
| H17 | C10 | H14 | 109.5° | 109.5° |
| H15 | C10 | H14 | 109.4° | 109.5° |
| H4 | C | H3 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C90 | C13 | C12 | H150 | 180.0° | 180.0° |
| C90 | C13 | C12 | C8 | 180.0° | 178.6° |
| C90 | C13 | C12 | C14 | 0.5° | 1.5° |
| C13 | C90 | H902 | H90 | 120.0° | 120.0° |
| C13 | C90 | H902 | H901 | 120.0° | 120.0° |
| C13 | C90 | H90 | H901 | 120.0° | 119.9° |
| O5 | C21 | N | C24 | 178.3° | 180.0° |
| O5 | C21 | N | C22 | 176.5° | 180.0° |
| O5 | C21 | C24 | C23 | 179.0° | 180.0° |
| O5 | C21 | C24 | C16 | 0.1° | 0.0° |
| O5 | C21 | N | H29 | 3.5° | 0.1° |
| C13 | C12 | C8 | C14 | 179.5° | 179.9° |
| C13 | C12 | C8 | C9 | 95.6° | 82.1° |
| C13 | C12 | C8 | C7 | 139.0° | 39.2° |
| C13 | C12 | C8 | HF3 | 25.4° | 158.6° |
| C12 | C13 | C90 | H902 | 180.0° | 179.9° |
| C12 | C13 | C90 | H90 | 60.0° | 60.0° |
| C12 | C13 | C90 | H901 | 60.0° | 59.9° |
| C13 | C12 | C14 | H18 | 180.0° | 84.9° |
| C13 | C12 | C14 | H10 | 60.0° | 35.0° |
| C13 | C12 | C14 | H19 | 60.0° | 155.0° |
| C21 | N | C22 | H29 | 180.0° | 179.9° |
| C21 | N | C22 | C20 | 137.8° | 119.2° |
| C21 | N | C22 | C23 | 7.0° | 0.0° |
| N | C21 | C24 | C23 | 0.8° | 0.0° |
| N | C21 | C24 | C16 | 178.4° | 179.9° |
| C21 | N | C22 | H221 | 104.1° | 119.3° |
| C22 | N | C21 | C24 | 5.2° | 0.0° |
| N | C22 | C20 | C23 | 120.9° | 117.1° |
| N | C22 | C20 | H221 | 118.3° | 121.5° |
| N | C22 | C23 | H221 | 111.1° | 119.4° |
| N | C22 | C20 | C19 | 175.7° | 70.6° |
| N | C22 | C23 | C24 | 6.8° | 0.0° |
| N | C22 | C23 | O4 | 179.6° | 180.0° |
| N | C22 | C20 | H27 | 55.7° | 169.4° |
| N | C22 | C20 | H28 | 64.4° | 49.4° |
| C21 | C24 | C23 | C22 | 4.0° | 0.0° |
| C21 | C24 | C23 | C16 | 179.2° | 180.0° |
| C21 | C24 | C16 | C9 | 6.5° | 0.0° |
| C21 | C24 | C23 | O4 | 178.2° | 180.0° |
| C21 | C24 | C16 | O3 | 178.6° | 180.0° |
| C24 | C21 | N | H29 | 174.8° | 179.9° |
| C12 | C8 | C9 | C7 | 122.9° | 120.4° |
| C12 | C8 | C9 | HF3 | 121.2° | 119.2° |
| C12 | C8 | C7 | HF3 | 113.3° | 119.3° |
| C12 | C8 | C9 | C16 | 37.6° | 45.9° |
| C12 | C8 | C9 | C4 | 162.5° | 73.7° |
| C12 | C8 | C7 | C6 | 176.8° | 105.9° |
| C12 | C8 | C9 | H91 | 77.1° | 166.6° |
| C8 | C12 | C13 | H150 | 0.0° | 1.4° |
| C8 | C12 | C14 | H18 | 0.5° | 95.1° |
| C8 | C12 | C14 | H10 | 119.5° | 144.9° |
| C8 | C12 | C14 | H19 | 120.5° | 24.9° |
| C12 | C8 | C7 | H8 | 3.1° | 74.1° |
| C14 | C12 | C8 | C9 | 84.9° | 97.9° |
| C14 | C12 | C8 | C7 | 40.5° | 140.7° |
| C14 | C12 | C8 | HF3 | 154.1° | 21.3° |
| C14 | C12 | C13 | H150 | 179.5° | 178.6° |
| C12 | C14 | H18 | H10 | 120.0° | 119.9° |
| C12 | C14 | H18 | H19 | 120.0° | 120.1° |
| C12 | C14 | H10 | H19 | 120.0° | 120.0° |
| C20 | C22 | C23 | H221 | 120.7° | 121.4° |
| C22 | C20 | C19 | H27 | 119.9° | 120.0° |
| C22 | C20 | C19 | H28 | 119.9° | 120.1° |
| C20 | C22 | C23 | C24 | 135.0° | 119.3° |
| C20 | C22 | C23 | O4 | 51.3° | 60.7° |
| C22 | C20 | C19 | C17 | 166.8° | 62.6° |
| C22 | C20 | C19 | C18 | 47.2° | 177.4° |
| C22 | C20 | C19 | O2 | 75.6° | 57.5° |
| C22 | C20 | H27 | H28 | 120.2° | 120.1° |
| C20 | C22 | N | H29 | 42.2° | 60.7° |
| C23 | C22 | C20 | C19 | 63.5° | 172.3° |
| C22 | C23 | C24 | O4 | 174.2° | 179.9° |
| C22 | C23 | C24 | C16 | 176.8° | 179.9° |
| C23 | C22 | C20 | H27 | 176.6° | 52.3° |
| C23 | C22 | C20 | H28 | 56.5° | 67.7° |
| C23 | C22 | N | H29 | 173.0° | 179.9° |
| C20 | C19 | C17 | O | 66.2° | 25.0° |
| C20 | C19 | C17 | C18 | 126.6° | 120.0° |
| C20 | C19 | C17 | O2 | 116.4° | 120.1° |
| C20 | C19 | C17 | O1 | 113.0° | 154.8° |
| C20 | C19 | C18 | O2 | 123.6° | 120.0° |
| C20 | C19 | O2 | H23 | 58.1° | 76.4° |
| C20 | C19 | C18 | H26 | 180.0° | 175.1° |
| C20 | C19 | C18 | H25 | 60.0° | 64.8° |
| C20 | C19 | C18 | H24 | 60.0° | 55.2° |
| C19 | C20 | H27 | H28 | 120.2° | 120.0° |
| C19 | C20 | C22 | H221 | 57.4° | 50.9° |
| C9 | C8 | C7 | HF3 | 115.3° | 120.3° |
| C8 | C9 | C16 | C24 | 83.1° | 111.9° |
| C8 | C9 | C16 | C4 | 122.2° | 118.7° |
| C8 | C9 | C16 | H91 | 113.6° | 120.7° |
| C8 | C9 | C4 | H91 | 120.0° | 119.7° |
| C8 | C9 | C4 | C5 | 130.2° | 172.8° |
| C8 | C9 | C16 | O3 | 88.3° | 68.0° |
| C8 | C9 | C4 | C3 | 7.6° | 67.4° |
| C9 | C8 | C7 | C6 | 45.5° | 14.4° |
| C9 | C8 | C7 | H8 | 134.5° | 165.6° |
| C8 | C9 | C4 | H41 | 110.6° | 51.8° |
| C7 | C8 | C9 | C16 | 85.3° | 166.3° |
| C7 | C8 | C9 | C4 | 39.6° | 46.6° |
| C8 | C7 | C6 | C3 | 0.9° | 0.9° |
| C8 | C7 | C6 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H91 | 160.0° | 73.0° |
| C8 | C7 | C6 | H7 | 179.1° | 179.1° |
| O | C17 | C19 | O1 | 179.2° | 179.8° |
| O | C17 | C19 | C18 | 60.4° | 95.0° |
| O | C17 | C19 | O2 | 177.4° | 145.1° |
| O | C17 | O1 | H16 | 0.0° | 0.1° |
| C23 | C24 | C16 | C9 | 174.6° | 180.0° |
| C23 | C24 | C16 | O3 | 2.5° | 0.0° |
| C24 | C23 | C22 | H221 | 104.4° | 119.4° |
| C24 | C16 | C9 | O3 | 171.5° | 179.9° |
| C24 | C16 | C9 | C4 | 154.7° | 129.4° |
| C16 | C24 | C23 | O4 | 2.6° | 0.0° |
| C24 | C16 | O3 | HO3 | 1.1° | 174.8° |
| C24 | C16 | C9 | H91 | 30.5° | 8.8° |
| C16 | C9 | C4 | H91 | 124.5° | 120.6° |
| C16 | C9 | C4 | C5 | 114.4° | 53.1° |
| C16 | C9 | C4 | C3 | 123.0° | 172.9° |
| C9 | C16 | O3 | HO3 | 172.5° | 5.3° |
| C16 | C9 | C8 | HF3 | 158.8° | 73.3° |
| C16 | C9 | C4 | H41 | 4.8° | 67.9° |
| C9 | C4 | C5 | C11 | 61.3° | 59.7° |
| C9 | C4 | C5 | C3 | 123.8° | 119.3° |
| C9 | C4 | C5 | H41 | 119.1° | 121.1° |
| C9 | C4 | C5 | C | 173.2° | 179.4° |
| C4 | C9 | C16 | O3 | 33.8° | 50.7° |
| C9 | C4 | C3 | H41 | 118.1° | 119.2° |
| C9 | C4 | C3 | C6 | 53.3° | 52.9° |
| C9 | C4 | C3 | C2 | 175.8° | 176.0° |
| C4 | C9 | C8 | HF3 | 76.3° | 167.0° |
| C9 | C4 | C3 | HF1 | 65.3° | 65.8° |
| C9 | C4 | C5 | HH4 | 56.1° | 60.7° |
| C11 | C5 | C4 | C | 125.5° | 119.8° |
| C11 | C5 | C4 | HH4 | 117.4° | 120.3° |
| C11 | C5 | C | HH4 | 117.8° | 120.4° |
| C11 | C5 | C4 | C3 | 174.9° | 179.0° |
| C11 | C5 | C | C1 | 177.9° | 179.1° |
| C11 | C5 | C4 | H41 | 57.9° | 61.4° |
| C5 | C11 | H13 | H12 | 120.0° | 120.0° |
| C5 | C11 | H13 | H11 | 120.0° | 120.1° |
| C5 | C11 | H12 | H11 | 120.0° | 120.0° |
| C11 | C5 | C | H4 | 57.5° | 58.9° |
| C11 | C5 | C | H3 | 61.8° | 60.8° |
| C4 | C5 | C | HH4 | 117.2° | 119.8° |
| C5 | C4 | C3 | H41 | 117.0° | 119.6° |
| C4 | C5 | C | C1 | 52.9° | 59.3° |
| C5 | C4 | C3 | C6 | 178.2° | 174.1° |
| C5 | C4 | C3 | C2 | 59.3° | 62.8° |
| C5 | C4 | C9 | H91 | 10.1° | 67.5° |
| C5 | C4 | C3 | HF1 | 59.6° | 55.4° |
| C4 | C5 | C11 | H13 | 180.0° | 76.1° |
| C4 | C5 | C11 | H12 | 60.0° | 163.9° |
| C4 | C5 | C11 | H11 | 60.0° | 44.0° |
| C4 | C5 | C | H4 | 67.5° | 60.9° |
| C4 | C5 | C | H3 | 173.2° | 179.5° |
| C | C5 | C4 | C3 | 49.4° | 61.2° |
| C5 | C | C1 | H4 | 120.3° | 120.2° |
| C5 | C | C1 | H3 | 120.4° | 120.2° |
| C5 | C | C1 | C10 | 176.9° | 178.8° |
| C5 | C | C1 | C2 | 62.0° | 58.7° |
| C | C5 | C4 | H41 | 67.6° | 58.4° |
| C | C5 | C11 | H13 | 55.1° | 164.7° |
| C | C5 | C11 | H12 | 64.9° | 44.7° |
| C | C5 | C11 | H11 | 175.1° | 75.3° |
| C5 | C | C1 | HF2 | 55.4° | 61.5° |
| C5 | C | H4 | H3 | 118.9° | 119.7° |
| O4 | C23 | C22 | H221 | 69.3° | 60.7° |
| C17 | C19 | C18 | O2 | 119.2° | 120.0° |
| C19 | C17 | O1 | H16 | 179.2° | 179.7° |
| C17 | C19 | O2 | H23 | 171.1° | 43.6° |
| C17 | C19 | C18 | H26 | 62.8° | 55.1° |
| C17 | C19 | C18 | H25 | 177.2° | 175.2° |
| C17 | C19 | C18 | H24 | 57.2° | 64.8° |
| C17 | C19 | C20 | H27 | 46.9° | 57.4° |
| C17 | C19 | C20 | H28 | 73.3° | 177.4° |
| O1 | C17 | C19 | C18 | 120.3° | 85.2° |
| O1 | C17 | C19 | O2 | 3.4° | 34.7° |
| O3 | C16 | C9 | H91 | 158.0° | 171.3° |
| C4 | C3 | C6 | C2 | 123.5° | 121.5° |
| C4 | C3 | C6 | HF1 | 118.4° | 118.3° |
| C4 | C3 | C2 | HF1 | 118.8° | 117.8° |
| C4 | C3 | C6 | C7 | 53.0° | 20.5° |
| C4 | C3 | C2 | C1 | 68.6° | 61.2° |
| C3 | C4 | C9 | H91 | 112.4° | 52.3° |
| C4 | C3 | C6 | H7 | 127.0° | 159.5° |
| C3 | C4 | C5 | HH4 | 67.7° | 58.7° |
| C4 | C3 | C2 | H5 | 172.1° | 179.0° |
| C4 | C3 | C2 | H6 | 50.7° | 58.8° |
| C | C1 | C2 | C3 | 67.4° | 59.2° |
| C | C1 | C10 | C2 | 119.7° | 120.6° |
| C | C1 | C10 | HF2 | 121.4° | 119.6° |
| C | C1 | C2 | HF2 | 117.3° | 120.1° |
| C1 | C | C5 | HH4 | 64.3° | 60.5° |
| C | C1 | C2 | H5 | 173.4° | 179.0° |
| C | C1 | C2 | H6 | 51.9° | 60.6° |
| C | C1 | C10 | H17 | 180.0° | 60.6° |
| C | C1 | C10 | H15 | 60.0° | 59.4° |
| C | C1 | C10 | H14 | 60.0° | 179.4° |
| C1 | C | H4 | H3 | 118.9° | 119.6° |
| C6 | C3 | C2 | HF1 | 118.1° | 120.3° |
| C3 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C3 | C2 | C1 | 168.3° | 176.9° |
| C3 | C6 | C7 | H8 | 179.1° | 179.1° |
| C6 | C3 | C4 | H41 | 64.8° | 66.3° |
| C6 | C3 | C2 | H5 | 49.0° | 57.1° |
| C6 | C3 | C2 | H6 | 72.4° | 63.2° |
| C2 | C3 | C6 | C7 | 176.6° | 141.9° |
| C3 | C2 | C1 | C10 | 168.7° | 179.4° |
| C3 | C2 | C1 | H5 | 119.3° | 119.8° |
| C3 | C2 | C1 | H6 | 119.3° | 119.8° |
| C2 | C3 | C6 | H7 | 3.5° | 38.1° |
| C2 | C3 | C4 | H41 | 57.7° | 56.8° |
| C3 | C2 | H5 | H6 | 122.1° | 120.2° |
| C3 | C2 | C1 | HF2 | 49.9° | 60.9° |
| C6 | C7 | C8 | HF3 | 69.8° | 134.8° |
| C7 | C6 | C3 | HF1 | 65.3° | 97.8° |
| C10 | C1 | C2 | HF2 | 118.8° | 119.8° |
| C10 | C1 | C2 | H5 | 49.4° | 60.9° |
| C10 | C1 | C2 | H6 | 72.0° | 59.5° |
| C1 | C10 | H17 | H15 | 120.0° | 120.0° |
| C1 | C10 | H17 | H14 | 120.0° | 120.0° |
| C1 | C10 | H15 | H14 | 120.0° | 119.9° |
| C10 | C1 | C | H4 | 62.7° | 58.6° |
| C10 | C1 | C | H3 | 56.6° | 61.0° |
| C1 | C2 | C3 | HF1 | 50.2° | 56.6° |
| C1 | C2 | H5 | H6 | 122.1° | 120.5° |
| C2 | C1 | C10 | H17 | 60.3° | 60.0° |
| C2 | C1 | C10 | H15 | 59.7° | 180.0° |
| C2 | C1 | C10 | H14 | 179.7° | 60.0° |
| C2 | C1 | C | H4 | 58.3° | 61.5° |
| C2 | C1 | C | H3 | 177.6° | 178.9° |
| C18 | C19 | O2 | H23 | 71.3° | 163.6° |
| C19 | C18 | H26 | H25 | 120.0° | 120.0° |
| C19 | C18 | H26 | H24 | 120.0° | 119.9° |
| C19 | C18 | H25 | H24 | 120.0° | 119.9° |
| C18 | C19 | C20 | H27 | 72.8° | 62.6° |
| C18 | C19 | C20 | H28 | 167.1° | 57.3° |
| O2 | C19 | C18 | H26 | 56.4° | 64.9° |
| O2 | C19 | C18 | H25 | 63.6° | 55.2° |
| O2 | C19 | C18 | H24 | 176.4° | 175.2° |
| O2 | C19 | C20 | H27 | 164.5° | 177.5° |
| O2 | C19 | C20 | H28 | 44.4° | 62.6° |
| H26 | C18 | H25 | H24 | 120.0° | 120.0° |
| H27 | C20 | C22 | H221 | 62.6° | 69.0° |
| H28 | C20 | C22 | H221 | 177.3° | 171.0° |
| H221 | C22 | N | H29 | 75.9° | 60.8° |
| H91 | C9 | C8 | HF3 | 44.1° | 47.4° |
| H91 | C9 | C4 | H41 | 129.4° | 171.5° |
| HF3 | C8 | C7 | H8 | 110.2° | 45.2° |
| H150 | C13 | C90 | H902 | 0.0° | 0.0° |
| H150 | C13 | C90 | H90 | 120.0° | 120.0° |
| H150 | C13 | C90 | H901 | 120.0° | 120.1° |
| H902 | C90 | H90 | H901 | 120.0° | 120.0° |
| H18 | C14 | H10 | H19 | 120.0° | 120.0° |
| H8 | C7 | C6 | H7 | 0.9° | 0.8° |
| H7 | C6 | C3 | HF1 | 114.6° | 82.2° |
| HF1 | C3 | C4 | H41 | 176.7° | 175.0° |
| HF1 | C3 | C2 | H5 | 69.1° | 63.2° |
| HF1 | C3 | C2 | H6 | 169.5° | 176.5° |
| H41 | C4 | C5 | HH4 | 175.2° | 178.3° |
| HH4 | C5 | C11 | H13 | 62.6° | 44.2° |
| HH4 | C5 | C11 | H12 | 177.4° | 75.8° |
| HH4 | C5 | C11 | H11 | 57.4° | 164.3° |
| HH4 | C5 | C | H4 | 175.3° | 179.3° |
| HH4 | C5 | C | H3 | 56.0° | 59.6° |
| H13 | C11 | H12 | H11 | 120.0° | 120.0° |
| H5 | C2 | C1 | HF2 | 69.4° | 58.9° |
| H6 | C2 | C1 | HF2 | 169.2° | 179.3° |
| HF2 | C1 | C10 | H17 | 58.6° | 179.8° |
| HF2 | C1 | C10 | H15 | 178.6° | 60.2° |
| HF2 | C1 | C10 | H14 | 61.5° | 59.8° |
| HF2 | C1 | C | H4 | 175.7° | 178.3° |
| HF2 | C1 | C | H3 | 65.0° | 58.7° |
| H17 | C10 | H15 | H14 | 120.0° | 120.1° |
