WTT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C | doub | 1.21Å | 1.22Å | |
| C | O | sing | 1.34Å | 1.31Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C29 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C5 | C28 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C25 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | N | sing | 1.36Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.35Å | Aromatic |
| N | C12 | sing | 1.36Å | 1.37Å | Aromatic |
| N | C23 | sing | 1.37Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.37Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C23 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | N2 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| O2 | C14 | doub | 1.22Å | 1.23Å | |
| C14 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C15 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | O1 | sing | 1.36Å | 1.41Å | |
| C19 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C20 | sing | 1.43Å | 1.33Å | |
| F | C20 | sing | 1.40Å | 1.32Å | |
| C20 | F2 | sing | 1.40Å | 1.32Å | |
| C20 | F1 | sing | 1.40Å | 1.32Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| O | H17 | sing | 0.97Å | 0.95Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C | O | 123.2° | 120.0° |
| O3 | C | C1 | 122.7° | 120.0° |
| O | C | C1 | 114.1° | 120.0° |
| C | O | H17 | 109.5° | 117.0° |
| C | C1 | C2 | 114.6° | 109.5° |
| C | C1 | H1 | 108.2° | 109.5° |
| C | C1 | H2 | 108.2° | 109.5° |
| C1 | C2 | C3 | 111.3° | 109.5° |
| C1 | C2 | C29 | 111.4° | 109.5° |
| C2 | C1 | H1 | 108.2° | 109.5° |
| C2 | C1 | H2 | 108.2° | 109.5° |
| C1 | C2 | H3 | 107.9° | 109.4° |
| C2 | C3 | C4 | 112.6° | 109.5° |
| C3 | C2 | C29 | 110.0° | 109.5° |
| C3 | C2 | H3 | 108.1° | 109.4° |
| C2 | C3 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 108.7° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.5° |
| C4 | C3 | H5 | 108.7° | 109.4° |
| C3 | C4 | H14 | 109.4° | 109.4° |
| C3 | C4 | H15 | 109.4° | 109.4° |
| C2 | C29 | C28 | 112.5° | 109.4° |
| C29 | C2 | H3 | 108.0° | 109.5° |
| C2 | C29 | H27 | 108.7° | 109.5° |
| C2 | C29 | H28 | 108.7° | 109.5° |
| C4 | C5 | C28 | 108.9° | 109.4° |
| C4 | C5 | C6 | 114.4° | 109.4° |
| C5 | C4 | H14 | 109.4° | 109.5° |
| C5 | C4 | H15 | 109.4° | 109.5° |
| C4 | C5 | H16 | 106.5° | 109.5° |
| C29 | C28 | C5 | 109.6° | 109.5° |
| C29 | C28 | H25 | 109.4° | 109.5° |
| C29 | C28 | H26 | 109.4° | 109.5° |
| C28 | C29 | H27 | 108.7° | 109.4° |
| C28 | C29 | H28 | 108.7° | 109.4° |
| C28 | C5 | C6 | 113.4° | 109.5° |
| C28 | C5 | H16 | 106.5° | 109.5° |
| C5 | C28 | H25 | 109.5° | 109.5° |
| C5 | C28 | H26 | 109.4° | 109.4° |
| C5 | C6 | C7 | 120.7° | 119.8° |
| C5 | C6 | C27 | 120.9° | 119.9° |
| C6 | C5 | H16 | 106.6° | 109.5° |
| C7 | C6 | C27 | 118.2° | 120.2° |
| C6 | C7 | C8 | 121.0° | 120.1° |
| C6 | C7 | H6 | 119.5° | 119.9° |
| C6 | C27 | C26 | 121.0° | 120.2° |
| C6 | C27 | H24 | 119.5° | 119.9° |
| C7 | C8 | C9 | 120.7° | 119.9° |
| C8 | C7 | H6 | 119.5° | 119.9° |
| C7 | C8 | H7 | 119.6° | 120.1° |
| C27 | C26 | C9 | 120.7° | 119.8° |
| C27 | C26 | H23 | 119.6° | 120.1° |
| C26 | C27 | H24 | 119.5° | 119.9° |
| C8 | C9 | C26 | 118.3° | 119.8° |
| C8 | C9 | C10 | 120.8° | 120.1° |
| C9 | C8 | H7 | 119.6° | 120.0° |
| C26 | C9 | C10 | 120.8° | 120.1° |
| C9 | C26 | H23 | 119.7° | 120.1° |
| C9 | C10 | C11 | 121.2° | 120.0° |
| C9 | C10 | C25 | 120.2° | 120.0° |
| C11 | C10 | C25 | 118.5° | 120.1° |
| C10 | C11 | N | 119.7° | 120.5° |
| C10 | C11 | H8 | 120.1° | 119.7° |
| C10 | C25 | C24 | 122.3° | 119.7° |
| C10 | C25 | H22 | 118.8° | 120.2° |
| C11 | N | C12 | 130.5° | 132.2° |
| C11 | N | C23 | 122.3° | 120.5° |
| N | C11 | H8 | 120.1° | 119.8° |
| C25 | C24 | C23 | 119.0° | 119.5° |
| C25 | C24 | H21 | 120.5° | 120.3° |
| C24 | C25 | H22 | 118.9° | 120.2° |
| C12 | N | C23 | 107.2° | 107.3° |
| N | C12 | C13 | 105.9° | 107.1° |
| N | C12 | H9 | 127.0° | 126.5° |
| N | C23 | C24 | 118.2° | 119.7° |
| N | C23 | N2 | 110.6° | 108.4° |
| C12 | C13 | N2 | 110.9° | 108.2° |
| C12 | C13 | C14 | 122.4° | 125.9° |
| C13 | C12 | H9 | 127.1° | 126.4° |
| C24 | C23 | N2 | 131.1° | 131.9° |
| C23 | C24 | H21 | 120.5° | 120.2° |
| C23 | N2 | C13 | 105.4° | 109.0° |
| N2 | C13 | C14 | 119.8° | 125.9° |
| C13 | C14 | O2 | 121.3° | 120.0° |
| C13 | C14 | N1 | 115.9° | 120.0° |
| O2 | C14 | N1 | 122.8° | 120.0° |
| C14 | N1 | C15 | 121.8° | 120.0° |
| C14 | N1 | H13 | 119.1° | 120.0° |
| N1 | C15 | C16 | 112.9° | 109.4° |
| N1 | C15 | H10 | 108.6° | 109.5° |
| N1 | C15 | H11 | 108.6° | 109.5° |
| C15 | N1 | H13 | 119.1° | 120.0° |
| C18 | C17 | C16 | 121.1° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C18 | C17 | H18 | 119.5° | 120.0° |
| C17 | C18 | H19 | 120.1° | 120.0° |
| C17 | C16 | C15 | 120.9° | 119.9° |
| C17 | C16 | C22 | 118.4° | 120.1° |
| C16 | C17 | H18 | 119.4° | 120.0° |
| C15 | C16 | C22 | 120.7° | 120.0° |
| C16 | C15 | H10 | 108.6° | 109.5° |
| C16 | C15 | H11 | 108.6° | 109.5° |
| C18 | C19 | O1 | 119.3° | 120.0° |
| C18 | C19 | C21 | 119.9° | 119.9° |
| C19 | C18 | H19 | 120.1° | 120.0° |
| C16 | C22 | C21 | 121.2° | 120.1° |
| C16 | C22 | H20 | 119.4° | 119.9° |
| O1 | C19 | C21 | 120.7° | 120.1° |
| C19 | O1 | C20 | 118.1° | 117.0° |
| C19 | C21 | C22 | 119.7° | 119.9° |
| C19 | C21 | H12 | 120.1° | 120.0° |
| C22 | C21 | H12 | 120.2° | 120.1° |
| C21 | C22 | H20 | 119.4° | 119.9° |
| O1 | C20 | F | 112.1° | 109.5° |
| O1 | C20 | F2 | 111.4° | 109.5° |
| O1 | C20 | F1 | 111.5° | 109.5° |
| F | C20 | F2 | 107.0° | 109.5° |
| F | C20 | F1 | 107.5° | 109.5° |
| F2 | C20 | F1 | 107.1° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.4° | 109.4° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H27 | C29 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C | O | C1 | 179.9° | 179.9° |
| O3 | C | C1 | C2 | 114.6° | 0.0° |
| O3 | C | C1 | H1 | 124.6° | 120.0° |
| O3 | C | C1 | H2 | 6.1° | 120.0° |
| O3 | C | O | H17 | 0.0° | 0.1° |
| O | C | C1 | C2 | 65.5° | 180.0° |
| O | C | C1 | H1 | 55.3° | 60.0° |
| O | C | C1 | H2 | 173.7° | 60.0° |
| C | C1 | C2 | H1 | 120.7° | 120.0° |
| C | C1 | C2 | H2 | 120.8° | 120.0° |
| C | C1 | C2 | C3 | 42.3° | 65.0° |
| C | C1 | C2 | C29 | 80.8° | 175.0° |
| C | C1 | H1 | H2 | 117.6° | 120.0° |
| C | C1 | C2 | H3 | 160.8° | 55.0° |
| C1 | C | O | H17 | 179.9° | 180.0° |
| C1 | C2 | C3 | C29 | 124.0° | 120.0° |
| C1 | C2 | C3 | H3 | 118.3° | 119.9° |
| C1 | C2 | C3 | C4 | 176.6° | 180.0° |
| C1 | C2 | C29 | H3 | 118.3° | 120.0° |
| C1 | C2 | C29 | C28 | 176.7° | 180.0° |
| C2 | C1 | H1 | H2 | 117.7° | 120.0° |
| C1 | C2 | C3 | H4 | 62.9° | 59.9° |
| C1 | C2 | C3 | H5 | 56.1° | 60.0° |
| C1 | C2 | C29 | H27 | 56.3° | 60.0° |
| C1 | C2 | C29 | H28 | 62.8° | 60.0° |
| C2 | C3 | C4 | H4 | 120.5° | 120.1° |
| C2 | C3 | C4 | H5 | 120.5° | 120.0° |
| C3 | C2 | C29 | H3 | 117.7° | 120.0° |
| C2 | C3 | C4 | C5 | 57.5° | 60.0° |
| C3 | C2 | C29 | C28 | 52.8° | 60.0° |
| C3 | C2 | C1 | H1 | 163.1° | 175.0° |
| C3 | C2 | C1 | H2 | 78.4° | 55.0° |
| C2 | C3 | H4 | H5 | 118.6° | 120.0° |
| C2 | C3 | C4 | H14 | 62.5° | 60.1° |
| C2 | C3 | C4 | H15 | 177.5° | 180.0° |
| C3 | C2 | C29 | H27 | 67.7° | 60.0° |
| C3 | C2 | C29 | H28 | 173.2° | 179.9° |
| C4 | C3 | C2 | C29 | 52.6° | 60.0° |
| C3 | C4 | C5 | H14 | 120.0° | 120.0° |
| C3 | C4 | C5 | H15 | 120.0° | 120.0° |
| C3 | C4 | C5 | C28 | 60.9° | 60.0° |
| C3 | C4 | C5 | C6 | 171.1° | 180.0° |
| C4 | C3 | C2 | H3 | 65.1° | 60.1° |
| C4 | C3 | H4 | H5 | 118.6° | 120.0° |
| C3 | C4 | H14 | H15 | 120.0° | 119.9° |
| C3 | C4 | C5 | H16 | 53.6° | 60.0° |
| C2 | C29 | C28 | H27 | 120.5° | 119.9° |
| C2 | C29 | C28 | H28 | 120.4° | 120.0° |
| C2 | C29 | C28 | C5 | 57.9° | 60.0° |
| C29 | C2 | C1 | H1 | 39.9° | 55.0° |
| C29 | C2 | C1 | H2 | 158.4° | 65.0° |
| C29 | C2 | C3 | H4 | 173.1° | 180.0° |
| C29 | C2 | C3 | H5 | 67.8° | 60.0° |
| C2 | C29 | C28 | H25 | 177.9° | 60.0° |
| C2 | C29 | C28 | H26 | 62.1° | 180.0° |
| C2 | C29 | H27 | H28 | 118.6° | 120.1° |
| C4 | C5 | C28 | C29 | 61.1° | 60.1° |
| C4 | C5 | C28 | C6 | 128.6° | 119.9° |
| C4 | C5 | C28 | H16 | 114.5° | 120.0° |
| C4 | C5 | C6 | H16 | 117.4° | 120.0° |
| C4 | C5 | C6 | C7 | 76.9° | 120.0° |
| C4 | C5 | C6 | C27 | 108.4° | 60.0° |
| C5 | C4 | C3 | H4 | 178.0° | 180.0° |
| C5 | C4 | C3 | H5 | 62.9° | 60.0° |
| C5 | C4 | H14 | H15 | 119.9° | 120.0° |
| C4 | C5 | C28 | H25 | 178.9° | 60.0° |
| C4 | C5 | C28 | H26 | 58.9° | 180.0° |
| C29 | C28 | C5 | H25 | 120.0° | 120.1° |
| C29 | C28 | C5 | H26 | 120.0° | 120.0° |
| C29 | C28 | C5 | C6 | 170.4° | 180.0° |
| C28 | C29 | C2 | H3 | 64.9° | 60.0° |
| C29 | C28 | C5 | H16 | 53.4° | 60.0° |
| C29 | C28 | H25 | H26 | 119.9° | 120.0° |
| C28 | C29 | H27 | H28 | 118.6° | 120.0° |
| C28 | C5 | C6 | H16 | 116.9° | 120.1° |
| C28 | C5 | C6 | C7 | 157.4° | 120.1° |
| C28 | C5 | C6 | C27 | 17.3° | 60.0° |
| C28 | C5 | C4 | H14 | 59.1° | 60.0° |
| C28 | C5 | C4 | H15 | 179.1° | 180.0° |
| C5 | C28 | H25 | H26 | 119.9° | 120.0° |
| C5 | C28 | C29 | H27 | 62.6° | 59.9° |
| C5 | C28 | C29 | H28 | 178.3° | 180.0° |
| C5 | C6 | C7 | C27 | 174.8° | 180.0° |
| C5 | C6 | C7 | C8 | 172.6° | 179.9° |
| C5 | C6 | C27 | C26 | 172.6° | 179.5° |
| C5 | C6 | C7 | H6 | 7.4° | 0.3° |
| C6 | C5 | C4 | H14 | 68.9° | 60.0° |
| C6 | C5 | C4 | H15 | 51.1° | 60.0° |
| C5 | C6 | C27 | H24 | 7.4° | 0.0° |
| C6 | C5 | C28 | H25 | 50.4° | 59.9° |
| C6 | C5 | C28 | H26 | 69.6° | 60.0° |
| C6 | C7 | C8 | H6 | 180.0° | 179.6° |
| C7 | C6 | C27 | C26 | 2.2° | 0.5° |
| C6 | C7 | C8 | C9 | 0.0° | 0.3° |
| C6 | C7 | C8 | H7 | 179.9° | 179.8° |
| C7 | C6 | C5 | H16 | 40.5° | 0.0° |
| C7 | C6 | C27 | H24 | 177.8° | 180.0° |
| C27 | C6 | C7 | C8 | 2.2° | 0.1° |
| C6 | C27 | C26 | H24 | 180.0° | 179.5° |
| C6 | C27 | C26 | C9 | 0.1° | 0.8° |
| C27 | C6 | C7 | H6 | 177.8° | 179.7° |
| C27 | C6 | C5 | H16 | 134.2° | 180.0° |
| C6 | C27 | C26 | H23 | 179.9° | 179.8° |
| C7 | C8 | C9 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C26 | 2.1° | 0.0° |
| C7 | C8 | C9 | C10 | 173.9° | 180.0° |
| C27 | C26 | C9 | C8 | 2.1° | 0.6° |
| C27 | C26 | C9 | H23 | 180.0° | 179.4° |
| C27 | C26 | C9 | C10 | 173.9° | 179.5° |
| C8 | C9 | C26 | C10 | 176.0° | 180.0° |
| C8 | C9 | C10 | C11 | 20.7° | 115.0° |
| C8 | C9 | C10 | C25 | 163.0° | 65.3° |
| C9 | C8 | C7 | H6 | 179.9° | 179.9° |
| C8 | C9 | C26 | H23 | 178.0° | 180.0° |
| C26 | C9 | C10 | C11 | 155.1° | 65.0° |
| C26 | C9 | C10 | C25 | 21.2° | 114.7° |
| C26 | C9 | C8 | H7 | 177.9° | 179.9° |
| C9 | C26 | C27 | H24 | 179.9° | 179.7° |
| C9 | C10 | C11 | C25 | 176.4° | 179.7° |
| C9 | C10 | C11 | N | 175.3° | 180.0° |
| C9 | C10 | C25 | C24 | 175.5° | 179.8° |
| C10 | C9 | C8 | H7 | 6.1° | 0.1° |
| C9 | C10 | C11 | H8 | 4.7° | 0.0° |
| C9 | C10 | C25 | H22 | 4.4° | 0.0° |
| C10 | C9 | C26 | H23 | 6.1° | 0.0° |
| C10 | C11 | N | H8 | 180.0° | 180.0° |
| C11 | C10 | C25 | C24 | 0.9° | 0.6° |
| C10 | C11 | N | C12 | 177.9° | 179.9° |
| C10 | C11 | N | C23 | 0.7° | 0.0° |
| C11 | C10 | C25 | H22 | 179.2° | 179.7° |
| C25 | C10 | C11 | N | 1.1° | 0.3° |
| C10 | C25 | C24 | H22 | 180.0° | 179.7° |
| C10 | C25 | C24 | C23 | 0.1° | 0.5° |
| C25 | C10 | C11 | H8 | 178.9° | 179.7° |
| C10 | C25 | C24 | H21 | 179.9° | 179.7° |
| C11 | N | C12 | C23 | 178.7° | 179.9° |
| C11 | N | C12 | C13 | 178.6° | 179.9° |
| C11 | N | C23 | C24 | 0.1° | 0.1° |
| C11 | N | C23 | N2 | 178.9° | 180.0° |
| C11 | N | C12 | H9 | 1.4° | 0.1° |
| C25 | C24 | C23 | N | 0.3° | 0.2° |
| C25 | C24 | C23 | H21 | 180.0° | 179.9° |
| C25 | C24 | C23 | N2 | 178.4° | 179.8° |
| N | C12 | C13 | H9 | 180.0° | 180.0° |
| C12 | N | C23 | C24 | 178.9° | 180.0° |
| C12 | N | C23 | N2 | 0.1° | 0.0° |
| N | C12 | C13 | N2 | 0.3° | 0.0° |
| N | C12 | C13 | C14 | 150.3° | 180.0° |
| C12 | N | C11 | H8 | 2.1° | 0.1° |
| C23 | N | C12 | C13 | 0.2° | 0.0° |
| N | C23 | C24 | N2 | 178.7° | 179.9° |
| N | C23 | N2 | C13 | 0.3° | 0.1° |
| C23 | N | C11 | H8 | 179.3° | 180.0° |
| C23 | N | C12 | H9 | 179.8° | 180.0° |
| N | C23 | C24 | H21 | 179.7° | 180.0° |
| C12 | C13 | N2 | C23 | 0.4° | 0.0° |
| C12 | C13 | N2 | C14 | 151.5° | 179.9° |
| C12 | C13 | C14 | O2 | 27.8° | 0.0° |
| C12 | C13 | C14 | N1 | 152.0° | 180.0° |
| C24 | C23 | N2 | C13 | 178.6° | 180.0° |
| C23 | C24 | C25 | H22 | 179.9° | 179.8° |
| C23 | N2 | C13 | C14 | 151.1° | 180.0° |
| N2 | C23 | C24 | H21 | 1.6° | 0.1° |
| N2 | C13 | C14 | O2 | 175.9° | 180.0° |
| N2 | C13 | C14 | N1 | 3.9° | 0.1° |
| N2 | C13 | C12 | H9 | 179.7° | 180.0° |
| C13 | C14 | O2 | N1 | 179.7° | 180.0° |
| C13 | C14 | N1 | C15 | 83.7° | 180.0° |
| C14 | C13 | C12 | H9 | 29.7° | 0.1° |
| C13 | C14 | N1 | H13 | 96.3° | 0.1° |
| O2 | C14 | N1 | C15 | 96.6° | 0.0° |
| O2 | C14 | N1 | H13 | 83.5° | 179.9° |
| C14 | N1 | C15 | H13 | 180.0° | 180.0° |
| C14 | N1 | C15 | C16 | 82.6° | 180.0° |
| C14 | N1 | C15 | H10 | 156.9° | 60.0° |
| C14 | N1 | C15 | H11 | 37.9° | 60.0° |
| N1 | C15 | C16 | C17 | 67.0° | 89.7° |
| N1 | C15 | C16 | H10 | 120.5° | 120.0° |
| N1 | C15 | C16 | H11 | 120.5° | 120.0° |
| N1 | C15 | C16 | C22 | 114.7° | 90.1° |
| N1 | C15 | H10 | H11 | 118.4° | 120.0° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 177.6° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 179.9° |
| C18 | C17 | C16 | C22 | 0.8° | 0.2° |
| C17 | C18 | C19 | O1 | 179.1° | 179.9° |
| C17 | C18 | C19 | C21 | 0.6° | 0.2° |
| C17 | C16 | C15 | C22 | 178.4° | 179.8° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C16 | C22 | C21 | 0.7° | 0.2° |
| C17 | C16 | C15 | H10 | 172.5° | 30.2° |
| C17 | C16 | C15 | H11 | 53.6° | 150.2° |
| C16 | C17 | C18 | H19 | 179.8° | 180.0° |
| C17 | C16 | C22 | H20 | 179.3° | 179.8° |
| C15 | C16 | C22 | C21 | 177.7° | 180.0° |
| C16 | C15 | H10 | H11 | 118.4° | 120.0° |
| C16 | C15 | N1 | H13 | 97.4° | 0.0° |
| C15 | C16 | C17 | H18 | 2.4° | 0.0° |
| C15 | C16 | C22 | H20 | 2.3° | 0.1° |
| C18 | C19 | O1 | C21 | 179.6° | 179.7° |
| C18 | C19 | C21 | C22 | 0.7° | 0.3° |
| C18 | C19 | O1 | C20 | 127.5° | 0.3° |
| C18 | C19 | C21 | H12 | 179.3° | 179.8° |
| C19 | C18 | C17 | H18 | 179.8° | 180.0° |
| C16 | C22 | C21 | C19 | 0.1° | 0.1° |
| C16 | C22 | C21 | H20 | 180.0° | 179.9° |
| C22 | C16 | C15 | H10 | 5.8° | 150.0° |
| C22 | C16 | C15 | H11 | 124.8° | 30.0° |
| C16 | C22 | C21 | H12 | 179.9° | 180.0° |
| C22 | C16 | C17 | H18 | 179.2° | 179.8° |
| O1 | C19 | C21 | C22 | 178.9° | 180.0° |
| C19 | O1 | C20 | F | 32.0° | 180.0° |
| C19 | O1 | C20 | F2 | 151.9° | 60.0° |
| C19 | O1 | C20 | F1 | 88.6° | 60.0° |
| O1 | C19 | C21 | H12 | 1.1° | 0.1° |
| O1 | C19 | C18 | H19 | 1.0° | 0.0° |
| C19 | C21 | C22 | H12 | 180.0° | 179.9° |
| C21 | C19 | O1 | C20 | 52.2° | 180.0° |
| C21 | C19 | C18 | H19 | 179.4° | 179.7° |
| C19 | C21 | C22 | H20 | 180.0° | 180.0° |
| O1 | C20 | F | F2 | 122.4° | 120.0° |
| O1 | C20 | F | F1 | 122.8° | 120.0° |
| O1 | C20 | F2 | F1 | 122.1° | 120.0° |
| F | C20 | F2 | F1 | 115.1° | 120.0° |
| H1 | C1 | C2 | H3 | 78.5° | 65.1° |
| H2 | C1 | C2 | H3 | 40.0° | 175.0° |
| H3 | C2 | C3 | H4 | 55.4° | 60.0° |
| H3 | C2 | C3 | H5 | 174.5° | 180.0° |
| H3 | C2 | C29 | H27 | 174.6° | 180.0° |
| H3 | C2 | C29 | H28 | 55.5° | 59.9° |
| H4 | C3 | C4 | H14 | 58.0° | 60.0° |
| H4 | C3 | C4 | H15 | 62.0° | 60.0° |
| H5 | C3 | C4 | H14 | 177.0° | 179.9° |
| H5 | C3 | C4 | H15 | 57.0° | 60.0° |
| H6 | C7 | C8 | H7 | 0.1° | 0.1° |
| H10 | C15 | N1 | H13 | 23.1° | 120.0° |
| H11 | C15 | N1 | H13 | 142.0° | 120.1° |
| H12 | C21 | C22 | H20 | 0.1° | 0.1° |
| H14 | C4 | C5 | H16 | 173.6° | 180.0° |
| H15 | C4 | C5 | H16 | 66.4° | 60.0° |
| H16 | C5 | C28 | H25 | 66.6° | 180.0° |
| H16 | C5 | C28 | H26 | 173.4° | 60.0° |
| H18 | C17 | C18 | H19 | 0.2° | 0.1° |
| H21 | C24 | C25 | H22 | 0.1° | 0.1° |
| H23 | C26 | C27 | H24 | 0.1° | 0.3° |
| H25 | C28 | C29 | H27 | 57.5° | 180.0° |
| H25 | C28 | C29 | H28 | 61.6° | 60.0° |
| H26 | C28 | C29 | H27 | 177.4° | 60.0° |
| H26 | C28 | C29 | H28 | 58.3° | 60.0° |
