A1AWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.36Å | Aromatic |
| F2 | C23 | sing | 1.35Å | 1.36Å | |
| O3 | C26 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| F1 | C18 | sing | 1.35Å | 1.34Å | |
| C23 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | C17 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | sing | 1.48Å | 1.48Å | |
| C20 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| F3 | C29 | sing | 1.40Å | 1.33Å | |
| F5 | C29 | sing | 1.40Å | 1.33Å | |
| C14 | C29 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | O2 | sing | 1.43Å | 1.42Å | |
| C29 | F4 | sing | 1.40Å | 1.33Å | |
| C13 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | N4 | sing | 1.29Å | 1.34Å | Aromatic |
| N2 | C12 | sing | 1.35Å | 1.34Å | Aromatic |
| N4 | N5 | doub | 1.29Å | 1.31Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.37Å | Aromatic |
| N5 | C11 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | C4 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C10 | doub | 1.42Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.37Å | 1.35Å | Aromatic |
| C2 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C10 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | C9 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 117.9° | 120.1° |
| C22 | C21 | C20 | 121.6° | 119.9° |
| C22 | C21 | H6 | 119.2° | 120.1° |
| C21 | C22 | H7 | 121.0° | 120.0° |
| C22 | C23 | F2 | 118.5° | 119.9° |
| C22 | C23 | C24 | 122.9° | 120.2° |
| C23 | C22 | H7 | 121.1° | 119.9° |
| F2 | C23 | C24 | 118.6° | 119.9° |
| O3 | C26 | C27 | 106.5° | 109.5° |
| O3 | C26 | C28 | 107.5° | 109.5° |
| O3 | C26 | C17 | 108.5° | 109.5° |
| C26 | O3 | H17 | 109.5° | 114.0° |
| C21 | C20 | C19 | 121.2° | 120.1° |
| C21 | C20 | C25 | 118.3° | 119.8° |
| C20 | C21 | H6 | 119.2° | 120.0° |
| F1 | C18 | C19 | 121.1° | 120.5° |
| F1 | C18 | C17 | 118.4° | 120.5° |
| C23 | C24 | C25 | 118.6° | 120.1° |
| C23 | C24 | H8 | 120.7° | 120.0° |
| C27 | C26 | C28 | 110.5° | 109.5° |
| C27 | C26 | C17 | 111.3° | 109.5° |
| C26 | C27 | H22 | 109.5° | 109.5° |
| C26 | C27 | H23 | 109.5° | 109.5° |
| C26 | C27 | H24 | 109.5° | 109.5° |
| C28 | C26 | C17 | 112.3° | 109.5° |
| C26 | C28 | H9 | 109.5° | 109.5° |
| C26 | C28 | H10 | 109.5° | 109.5° |
| C26 | C28 | H11 | 109.5° | 109.4° |
| C26 | C17 | C18 | 121.2° | 120.7° |
| C26 | C17 | C16 | 121.0° | 120.7° |
| C19 | C20 | C25 | 120.4° | 120.2° |
| C20 | C19 | C18 | 123.5° | 119.8° |
| C20 | C19 | N3 | 115.6° | 119.8° |
| C20 | C25 | C24 | 120.8° | 119.9° |
| C20 | C25 | H21 | 119.6° | 120.0° |
| C19 | C18 | C17 | 120.5° | 119.0° |
| C18 | C19 | N3 | 121.0° | 120.5° |
| C18 | C17 | C16 | 117.8° | 118.5° |
| C25 | C24 | H8 | 120.7° | 119.9° |
| C24 | C25 | H21 | 119.6° | 120.1° |
| C19 | N3 | C15 | 119.1° | 121.6° |
| C17 | C16 | C15 | 119.6° | 119.4° |
| C17 | C16 | H20 | 120.2° | 120.3° |
| N3 | C15 | C16 | 122.2° | 121.0° |
| N3 | C15 | C14 | 116.6° | 119.5° |
| C16 | C15 | C14 | 121.2° | 119.5° |
| C15 | C16 | H20 | 120.2° | 120.3° |
| C15 | C14 | C29 | 110.4° | 109.5° |
| C15 | C14 | C13 | 110.8° | 109.5° |
| C15 | C14 | O2 | 110.6° | 109.5° |
| F3 | C29 | F5 | 107.3° | 109.5° |
| F3 | C29 | C14 | 111.6° | 109.5° |
| F3 | C29 | F4 | 107.4° | 109.4° |
| F5 | C29 | C14 | 111.1° | 109.5° |
| F5 | C29 | F4 | 106.9° | 109.5° |
| C29 | C14 | C13 | 110.6° | 109.4° |
| C29 | C14 | O2 | 105.4° | 109.5° |
| C14 | C29 | F4 | 112.2° | 109.5° |
| C13 | C14 | O2 | 109.0° | 109.5° |
| C14 | C13 | N2 | 115.9° | 109.5° |
| C14 | C13 | H4 | 107.8° | 109.4° |
| C14 | C13 | H5 | 107.9° | 109.5° |
| C14 | O2 | H15 | 109.5° | 114.0° |
| C13 | N2 | N4 | 120.8° | 125.7° |
| C13 | N2 | C12 | 128.7° | 125.8° |
| N2 | C13 | H4 | 107.8° | 109.5° |
| N2 | C13 | H5 | 107.8° | 109.4° |
| N4 | N2 | C12 | 110.5° | 108.6° |
| N2 | N4 | N5 | 107.0° | 110.4° |
| N2 | C12 | C11 | 105.6° | 106.0° |
| N2 | C12 | H19 | 127.2° | 127.0° |
| N4 | N5 | C11 | 109.3° | 108.8° |
| C12 | C11 | N5 | 107.6° | 106.2° |
| C12 | C11 | C4 | 130.9° | 126.9° |
| C11 | C12 | H19 | 127.2° | 127.0° |
| N5 | C11 | C4 | 121.5° | 126.9° |
| C11 | C4 | C5 | 120.2° | 119.7° |
| C11 | C4 | C3 | 120.3° | 119.8° |
| C5 | C4 | C3 | 119.6° | 120.5° |
| C4 | C5 | C6 | 120.9° | 119.6° |
| C4 | C5 | H1 | 119.6° | 120.2° |
| C4 | C3 | C2 | 121.0° | 120.9° |
| C4 | C3 | H16 | 119.5° | 119.6° |
| C5 | C6 | C7 | 122.4° | 121.3° |
| C5 | C6 | C10 | 118.9° | 119.7° |
| C6 | C5 | H1 | 119.6° | 120.2° |
| C3 | C2 | C10 | 120.4° | 119.9° |
| C3 | C2 | O1 | 124.8° | 120.0° |
| C2 | C3 | H16 | 119.5° | 119.5° |
| C7 | C6 | C10 | 118.7° | 119.0° |
| C6 | C7 | C8 | 118.7° | 118.2° |
| C6 | C7 | H2 | 120.7° | 120.9° |
| C6 | C10 | C2 | 119.2° | 119.3° |
| C6 | C10 | N1 | 122.1° | 119.8° |
| C7 | C8 | C9 | 118.9° | 119.9° |
| C8 | C7 | H2 | 120.7° | 120.9° |
| C7 | C8 | H3 | 120.6° | 120.1° |
| C10 | C2 | O1 | 114.8° | 120.0° |
| C2 | C10 | N1 | 118.6° | 120.9° |
| C2 | O1 | C1 | 117.5° | 117.0° |
| C10 | N1 | C9 | 117.0° | 121.4° |
| O1 | C1 | H12 | 109.5° | 109.5° |
| O1 | C1 | H13 | 109.5° | 109.5° |
| O1 | C1 | H14 | 109.5° | 109.5° |
| C8 | C9 | N1 | 124.6° | 121.7° |
| C9 | C8 | H3 | 120.5° | 120.0° |
| C8 | C9 | H18 | 117.7° | 119.2° |
| N1 | C9 | H18 | 117.7° | 119.1° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H9 | C28 | H11 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.4° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H7 | 180.0° | 180.0° |
| C21 | C22 | C23 | F2 | 180.0° | 180.0° |
| C22 | C21 | C20 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C20 | C19 | 179.2° | 180.0° |
| C22 | C21 | C20 | C25 | 0.7° | 0.3° |
| C22 | C23 | F2 | C24 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C22 | C23 | C24 | C25 | 0.4° | 0.3° |
| C23 | C22 | C21 | H6 | 179.4° | 180.0° |
| C22 | C23 | C24 | H8 | 179.6° | 179.7° |
| F2 | C23 | C24 | C25 | 179.5° | 179.7° |
| F2 | C23 | C22 | H7 | 0.0° | 0.0° |
| F2 | C23 | C24 | H8 | 0.5° | 0.2° |
| O3 | C26 | C27 | C28 | 116.5° | 120.0° |
| O3 | C26 | C27 | C17 | 118.1° | 120.0° |
| O3 | C26 | C28 | C17 | 119.3° | 120.0° |
| O3 | C26 | C17 | C18 | 33.6° | 180.0° |
| O3 | C26 | C17 | C16 | 147.1° | 0.0° |
| O3 | C26 | C28 | H9 | 180.0° | 180.0° |
| O3 | C26 | C28 | H10 | 60.0° | 60.0° |
| O3 | C26 | C28 | H11 | 60.0° | 60.0° |
| O3 | C26 | C27 | H22 | 180.0° | 60.0° |
| O3 | C26 | C27 | H23 | 60.0° | 60.0° |
| O3 | C26 | C27 | H24 | 60.0° | 180.0° |
| C21 | C20 | C19 | C25 | 178.5° | 179.7° |
| C21 | C20 | C19 | C18 | 19.9° | 35.3° |
| C21 | C20 | C25 | C24 | 0.2° | 0.6° |
| C21 | C20 | C19 | N3 | 159.8° | 144.8° |
| C20 | C21 | C22 | H7 | 179.4° | 180.0° |
| C21 | C20 | C25 | H21 | 179.8° | 179.7° |
| F1 | C18 | C17 | C26 | 0.0° | 0.0° |
| F1 | C18 | C19 | C20 | 0.8° | 0.0° |
| F1 | C18 | C19 | C17 | 179.5° | 180.0° |
| F1 | C18 | C19 | N3 | 179.5° | 180.0° |
| F1 | C18 | C17 | C16 | 179.3° | 180.0° |
| C23 | C24 | C25 | C20 | 0.3° | 0.5° |
| C23 | C24 | C25 | H8 | 180.0° | 179.5° |
| C24 | C23 | C22 | H7 | 179.9° | 180.0° |
| C23 | C24 | C25 | H21 | 179.6° | 179.7° |
| C27 | C26 | C28 | C17 | 124.9° | 120.0° |
| C27 | C26 | C17 | C18 | 83.3° | 60.0° |
| C27 | C26 | C17 | C16 | 96.0° | 120.0° |
| C27 | C26 | C28 | H9 | 64.1° | 59.9° |
| C27 | C26 | C28 | H10 | 175.8° | 180.0° |
| C27 | C26 | C28 | H11 | 55.9° | 60.0° |
| C27 | C26 | O3 | H17 | 180.0° | 60.1° |
| C26 | C27 | H22 | H23 | 120.0° | 120.0° |
| C26 | C27 | H22 | H24 | 120.0° | 120.1° |
| C26 | C27 | H23 | H24 | 120.0° | 120.0° |
| C28 | C26 | C17 | C18 | 152.3° | 60.0° |
| C28 | C26 | C17 | C16 | 28.4° | 120.0° |
| C26 | C28 | H9 | H10 | 120.0° | 120.0° |
| C26 | C28 | H9 | H11 | 120.0° | 120.0° |
| C26 | C28 | H10 | H11 | 120.0° | 120.0° |
| C28 | C26 | O3 | H17 | 61.5° | 179.9° |
| C28 | C26 | C27 | H22 | 63.5° | 60.0° |
| C28 | C26 | C27 | H23 | 56.5° | 179.9° |
| C28 | C26 | C27 | H24 | 176.5° | 60.0° |
| C26 | C17 | C18 | C19 | 179.5° | 180.0° |
| C26 | C17 | C18 | C16 | 179.3° | 180.0° |
| C26 | C17 | C16 | C15 | 179.6° | 180.0° |
| C17 | C26 | C28 | H9 | 60.7° | 60.0° |
| C17 | C26 | C28 | H10 | 59.3° | 60.0° |
| C17 | C26 | C28 | H11 | 179.3° | 180.0° |
| C17 | C26 | O3 | H17 | 60.1° | 59.9° |
| C26 | C17 | C16 | H20 | 0.4° | 0.0° |
| C17 | C26 | C27 | H22 | 61.9° | 180.0° |
| C17 | C26 | C27 | H23 | 178.1° | 60.0° |
| C17 | C26 | C27 | H24 | 58.1° | 60.0° |
| C20 | C19 | C18 | N3 | 179.7° | 179.9° |
| C20 | C19 | C18 | C17 | 179.7° | 180.0° |
| C19 | C20 | C25 | C24 | 178.7° | 179.8° |
| C20 | C19 | N3 | C15 | 179.8° | 180.0° |
| C19 | C20 | C21 | H6 | 0.8° | 0.0° |
| C19 | C20 | C25 | H21 | 1.3° | 0.0° |
| C25 | C20 | C19 | C18 | 158.6° | 145.0° |
| C20 | C25 | C24 | H21 | 180.0° | 179.7° |
| C25 | C20 | C19 | N3 | 21.7° | 34.9° |
| C25 | C20 | C21 | H6 | 179.3° | 179.7° |
| C20 | C25 | C24 | H8 | 179.7° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C19 | N3 | C15 | 0.1° | 0.1° |
| C17 | C18 | C19 | N3 | 0.0° | 0.0° |
| C18 | C17 | C16 | C15 | 0.3° | 0.0° |
| C18 | C17 | C16 | H20 | 179.7° | 179.9° |
| C19 | N3 | C15 | C16 | 0.0° | 0.1° |
| C19 | N3 | C15 | C14 | 179.4° | 180.0° |
| C17 | C16 | C15 | N3 | 0.2° | 0.0° |
| C17 | C16 | C15 | H20 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 179.6° | 180.0° |
| N3 | C15 | C16 | C14 | 179.4° | 180.0° |
| N3 | C15 | C14 | C29 | 99.5° | 120.0° |
| N3 | C15 | C14 | C13 | 23.3° | 0.0° |
| N3 | C15 | C14 | O2 | 144.3° | 120.0° |
| N3 | C15 | C16 | H20 | 179.8° | 180.0° |
| C16 | C15 | C14 | C29 | 81.1° | 60.0° |
| C16 | C15 | C14 | C13 | 156.1° | 180.0° |
| C16 | C15 | C14 | O2 | 35.1° | 60.0° |
| C15 | C14 | C29 | F3 | 56.2° | 54.2° |
| C15 | C14 | C29 | F5 | 63.7° | 174.2° |
| C15 | C14 | C29 | C13 | 122.9° | 120.0° |
| C15 | C14 | C29 | O2 | 119.4° | 120.0° |
| C15 | C14 | C13 | O2 | 121.9° | 120.0° |
| C15 | C14 | C29 | F4 | 176.7° | 65.7° |
| C15 | C14 | C13 | N2 | 175.6° | 66.8° |
| C15 | C14 | C13 | H4 | 54.7° | 53.2° |
| C15 | C14 | C13 | H5 | 63.4° | 173.3° |
| C15 | C14 | O2 | H15 | 180.0° | 60.0° |
| C14 | C15 | C16 | H20 | 0.4° | 0.1° |
| F3 | C29 | F5 | C14 | 122.3° | 120.0° |
| F3 | C29 | F5 | F4 | 114.9° | 120.0° |
| F3 | C29 | C14 | F4 | 120.6° | 119.9° |
| F3 | C29 | C14 | C13 | 66.8° | 65.8° |
| F3 | C29 | C14 | O2 | 175.6° | 174.2° |
| F5 | C29 | C14 | F4 | 119.6° | 120.1° |
| F5 | C29 | C14 | C13 | 173.4° | 54.2° |
| F5 | C29 | C14 | O2 | 55.7° | 65.8° |
| C29 | C14 | C13 | O2 | 115.4° | 120.0° |
| C29 | C14 | C13 | N2 | 61.7° | 53.2° |
| C29 | C14 | C13 | H4 | 177.4° | 173.2° |
| C29 | C14 | C13 | H5 | 59.3° | 66.8° |
| C29 | C14 | O2 | H15 | 60.8° | 180.0° |
| C13 | C14 | C29 | F4 | 53.8° | 174.3° |
| C14 | C13 | N2 | H4 | 120.9° | 120.0° |
| C14 | C13 | N2 | H5 | 120.9° | 120.0° |
| C14 | C13 | N2 | N4 | 64.4° | 55.3° |
| C14 | C13 | N2 | C12 | 118.7° | 124.5° |
| C14 | C13 | H4 | H5 | 117.1° | 120.0° |
| C13 | C14 | O2 | H15 | 58.0° | 60.0° |
| O2 | C14 | C29 | F4 | 63.9° | 54.3° |
| O2 | C14 | C13 | N2 | 53.7° | 173.2° |
| O2 | C14 | C13 | H4 | 67.2° | 66.8° |
| O2 | C14 | C13 | H5 | 174.7° | 53.2° |
| C13 | N2 | N4 | C12 | 177.4° | 179.8° |
| C13 | N2 | N4 | N5 | 178.5° | 180.0° |
| C13 | N2 | C12 | C11 | 177.8° | 179.9° |
| N2 | C13 | H4 | H5 | 117.1° | 120.0° |
| C13 | N2 | C12 | H19 | 2.2° | 0.0° |
| N4 | N2 | C12 | C11 | 0.6° | 0.4° |
| N2 | N4 | N5 | C11 | 1.1° | 0.0° |
| N4 | N2 | C13 | H4 | 174.7° | 64.7° |
| N4 | N2 | C13 | H5 | 56.6° | 175.3° |
| N4 | N2 | C12 | H19 | 179.4° | 179.8° |
| C12 | N2 | N4 | N5 | 1.1° | 0.2° |
| N2 | C12 | C11 | H19 | 180.0° | 179.9° |
| N2 | C12 | C11 | N5 | 0.0° | 0.4° |
| N2 | C12 | C11 | C4 | 179.5° | 179.9° |
| C12 | N2 | C13 | H4 | 2.2° | 115.6° |
| C12 | N2 | C13 | H5 | 120.3° | 4.4° |
| N4 | N5 | C11 | C12 | 0.7° | 0.2° |
| N4 | N5 | C11 | C4 | 179.8° | 180.0° |
| C12 | C11 | N5 | C4 | 179.5° | 179.8° |
| C12 | C11 | C4 | C5 | 11.3° | 179.7° |
| C12 | C11 | C4 | C3 | 167.9° | 0.3° |
| N5 | C11 | C4 | C5 | 168.1° | 0.0° |
| N5 | C11 | C4 | C3 | 12.7° | 179.9° |
| N5 | C11 | C12 | H19 | 179.9° | 179.8° |
| C11 | C4 | C5 | C3 | 179.2° | 179.9° |
| C11 | C4 | C5 | C6 | 179.9° | 180.0° |
| C11 | C4 | C3 | C2 | 179.9° | 179.9° |
| C11 | C4 | C5 | H1 | 0.1° | 0.0° |
| C11 | C4 | C3 | H16 | 0.1° | 0.0° |
| C4 | C11 | C12 | H19 | 0.5° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C6 | C10 | 0.4° | 0.1° |
| C5 | C4 | C3 | H16 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.1° |
| C4 | C3 | C2 | H16 | 180.0° | 180.0° |
| C4 | C3 | C2 | C10 | 0.4° | 0.0° |
| C4 | C3 | C2 | O1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 179.2° | 180.0° |
| C5 | C6 | C7 | C10 | 179.8° | 179.9° |
| C5 | C6 | C7 | C8 | 180.0° | 180.0° |
| C5 | C6 | C10 | C2 | 0.1° | 0.0° |
| C5 | C6 | C10 | N1 | 179.9° | 179.9° |
| C5 | C6 | C7 | H2 | 0.1° | 0.0° |
| C3 | C2 | C10 | C6 | 0.1° | 0.0° |
| C3 | C2 | C10 | O1 | 179.7° | 179.9° |
| C3 | C2 | C10 | N1 | 180.0° | 180.0° |
| C3 | C2 | O1 | C1 | 7.7° | 0.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C7 | C6 | C10 | C2 | 179.7° | 179.9° |
| C7 | C6 | C10 | N1 | 0.1° | 0.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C7 | C6 | C5 | H1 | 0.2° | 0.1° |
| C6 | C7 | C8 | H3 | 179.8° | 179.9° |
| C10 | C6 | C7 | C8 | 0.1° | 0.1° |
| C6 | C10 | C2 | N1 | 179.8° | 180.0° |
| C6 | C10 | C2 | O1 | 179.6° | 180.0° |
| C6 | C10 | N1 | C9 | 0.1° | 0.0° |
| C10 | C6 | C5 | H1 | 179.6° | 180.0° |
| C10 | C6 | C7 | H2 | 179.9° | 179.9° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | N1 | 0.3° | 0.0° |
| C7 | C8 | C9 | H18 | 179.7° | 179.9° |
| C10 | C2 | O1 | C1 | 172.0° | 180.0° |
| C2 | C10 | N1 | C9 | 179.7° | 180.0° |
| C10 | C2 | C3 | H16 | 179.6° | 180.0° |
| O1 | C2 | C10 | N1 | 0.3° | 0.1° |
| C2 | O1 | C1 | H12 | 180.0° | 60.0° |
| C2 | O1 | C1 | H13 | 60.0° | 60.0° |
| C2 | O1 | C1 | H14 | 60.0° | 180.0° |
| O1 | C2 | C3 | H16 | 0.0° | 0.0° |
| C10 | N1 | C9 | C8 | 0.2° | 0.0° |
| C10 | N1 | C9 | H18 | 179.8° | 180.0° |
| O1 | C1 | H12 | H13 | 120.0° | 120.0° |
| O1 | C1 | H12 | H14 | 120.0° | 120.1° |
| O1 | C1 | H13 | H14 | 120.0° | 120.0° |
| C8 | C9 | N1 | H18 | 180.0° | 180.0° |
| C9 | C8 | C7 | H2 | 179.8° | 179.9° |
| N1 | C9 | C8 | H3 | 179.7° | 179.9° |
| H2 | C7 | C8 | H3 | 0.2° | 0.0° |
| H3 | C8 | C9 | H18 | 0.3° | 0.1° |
| H6 | C21 | C22 | H7 | 0.6° | 0.1° |
| H8 | C24 | C25 | H21 | 0.4° | 0.3° |
| H9 | C28 | H10 | H11 | 120.0° | 120.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H22 | C27 | H23 | H24 | 120.0° | 120.0° |
