A1ID9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C19 | sing | 1.89Å | 1.87Å | |
| F1 | C18 | sing | 1.35Å | 1.34Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| F2 | C20 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C14 | sing | 1.47Å | 1.47Å | |
| C14 | C22 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C23 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O2 | C9 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C8 | C7 | doub | 1.37Å | 1.37Å | Aromatic |
| C8 | C24 | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C24 | doub | 1.34Å | 1.37Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.31Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.35Å | |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C19 | C18 | 121.0° | 120.0° |
| BR1 | C19 | C20 | 121.2° | 120.0° |
| F1 | C18 | C19 | 118.6° | 120.1° |
| F1 | C18 | C17 | 119.5° | 120.0° |
| C18 | C19 | C20 | 117.8° | 120.0° |
| C19 | C18 | C17 | 121.8° | 120.0° |
| C19 | C20 | F2 | 118.5° | 120.0° |
| C19 | C20 | C21 | 121.9° | 119.9° |
| F2 | C20 | C21 | 119.7° | 120.1° |
| C18 | C17 | C16 | 119.6° | 120.0° |
| C18 | C17 | H22 | 120.2° | 120.0° |
| C20 | C21 | C16 | 119.5° | 120.1° |
| C20 | C21 | H23 | 120.2° | 119.9° |
| C17 | C16 | C21 | 119.4° | 120.1° |
| C17 | C16 | C15 | 119.8° | 120.0° |
| C16 | C17 | H22 | 120.2° | 120.0° |
| C21 | C16 | C15 | 120.8° | 120.0° |
| C16 | C21 | H23 | 120.2° | 120.0° |
| C16 | C15 | N2 | 112.8° | 109.5° |
| C16 | C15 | H20 | 108.6° | 109.5° |
| C16 | C15 | H21 | 108.6° | 109.4° |
| C15 | N2 | C14 | 114.3° | 111.0° |
| C15 | N2 | H18 | 108.2° | 111.0° |
| N2 | C15 | H20 | 108.6° | 109.5° |
| N2 | C15 | H21 | 108.6° | 109.5° |
| N2 | C14 | C22 | 113.1° | 109.5° |
| N2 | C14 | C13 | 110.7° | 109.5° |
| N2 | C14 | H17 | 108.1° | 109.4° |
| C14 | N2 | H18 | 108.2° | 111.0° |
| C22 | C14 | C13 | 109.5° | 109.5° |
| C14 | C22 | C23 | 110.4° | 109.4° |
| C22 | C14 | H17 | 107.6° | 109.5° |
| C14 | C22 | H24 | 109.2° | 109.5° |
| C14 | C22 | H25 | 109.2° | 109.5° |
| C14 | C13 | C12 | 110.5° | 109.5° |
| C14 | C13 | H15 | 109.2° | 109.4° |
| C14 | C13 | H16 | 109.2° | 109.5° |
| C13 | C14 | H17 | 107.6° | 109.5° |
| C22 | C23 | C11 | 112.6° | 109.5° |
| C23 | C22 | H24 | 109.3° | 109.4° |
| C23 | C22 | H25 | 109.2° | 109.4° |
| C22 | C23 | H26 | 108.7° | 109.5° |
| C22 | C23 | H27 | 108.7° | 109.5° |
| C13 | C12 | C11 | 112.4° | 109.5° |
| C13 | C12 | H4 | 108.7° | 109.5° |
| C13 | C12 | H5 | 108.7° | 109.5° |
| C12 | C13 | H15 | 109.2° | 109.5° |
| C12 | C13 | H16 | 109.2° | 109.5° |
| C23 | C11 | C12 | 110.4° | 109.4° |
| C23 | C11 | C10 | 112.6° | 109.5° |
| C23 | C11 | H3 | 107.5° | 109.5° |
| C11 | C23 | H26 | 108.7° | 109.5° |
| C11 | C23 | H27 | 108.7° | 109.5° |
| C12 | C11 | C10 | 111.0° | 109.5° |
| C12 | C11 | H3 | 107.6° | 109.5° |
| C11 | C12 | H4 | 108.8° | 109.5° |
| C11 | C12 | H5 | 108.7° | 109.5° |
| C11 | C10 | C9 | 113.3° | 109.5° |
| C11 | C10 | H1 | 108.5° | 109.4° |
| C11 | C10 | H2 | 108.5° | 109.5° |
| C10 | C11 | H3 | 107.5° | 109.5° |
| O2 | C9 | C10 | 110.6° | 109.5° |
| O2 | C9 | C8 | 108.9° | 109.5° |
| O2 | C9 | H13 | 108.6° | 109.5° |
| C9 | O2 | H14 | 109.5° | 114.0° |
| C10 | C9 | C8 | 113.7° | 109.5° |
| C9 | C10 | H1 | 108.5° | 109.4° |
| C9 | C10 | H2 | 108.5° | 109.5° |
| C10 | C9 | H13 | 107.4° | 109.5° |
| C9 | C8 | C7 | 120.3° | 120.8° |
| C9 | C8 | C24 | 122.6° | 120.9° |
| C8 | C9 | H13 | 107.4° | 109.4° |
| C1 | O1 | C2 | 116.1° | 117.0° |
| O1 | C1 | H6 | 109.5° | 109.5° |
| O1 | C1 | H7 | 109.5° | 109.5° |
| O1 | C1 | H8 | 109.5° | 109.4° |
| C7 | C8 | C24 | 117.1° | 118.3° |
| C8 | C7 | C6 | 119.6° | 119.9° |
| C8 | C7 | H12 | 120.2° | 120.0° |
| C8 | C24 | N3 | 119.2° | 121.1° |
| C8 | C24 | C5 | 119.9° | 118.7° |
| C24 | N3 | C2 | 118.0° | 121.2° |
| N3 | C24 | C5 | 120.9° | 120.2° |
| N3 | C2 | O1 | 119.7° | 119.2° |
| N3 | C2 | C3 | 124.8° | 121.5° |
| O1 | C2 | C3 | 115.5° | 119.3° |
| C7 | C6 | N1 | 124.6° | 121.6° |
| C7 | C6 | H11 | 117.6° | 119.2° |
| C6 | C7 | H12 | 120.2° | 120.0° |
| C24 | C5 | N1 | 121.3° | 120.1° |
| C24 | C5 | C4 | 119.0° | 118.8° |
| C2 | C3 | C4 | 117.9° | 119.9° |
| C2 | C3 | H9 | 121.1° | 120.0° |
| C6 | N1 | C5 | 117.5° | 121.3° |
| N1 | C6 | H11 | 117.7° | 119.2° |
| N1 | C5 | C4 | 119.7° | 121.1° |
| C5 | C4 | C3 | 119.4° | 118.4° |
| C5 | C4 | H10 | 120.3° | 120.8° |
| C4 | C3 | H9 | 121.1° | 120.1° |
| C3 | C4 | H10 | 120.3° | 120.8° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.4° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C19 | C18 | F1 | 0.3° | 0.0° |
| BR1 | C19 | C18 | C20 | 180.0° | 179.9° |
| BR1 | C19 | C20 | F2 | 0.1° | 0.1° |
| BR1 | C19 | C18 | C17 | 179.8° | 180.0° |
| BR1 | C19 | C20 | C21 | 179.9° | 179.8° |
| F1 | C18 | C19 | C17 | 179.4° | 179.9° |
| F1 | C18 | C19 | C20 | 179.7° | 180.0° |
| F1 | C18 | C17 | C16 | 179.8° | 179.9° |
| F1 | C18 | C17 | H22 | 0.1° | 0.0° |
| C18 | C19 | C20 | F2 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.1° |
| C19 | C18 | C17 | C16 | 0.4° | 0.1° |
| C19 | C18 | C17 | H22 | 179.6° | 180.0° |
| C19 | C20 | F2 | C21 | 179.8° | 179.8° |
| C20 | C19 | C18 | C17 | 0.3° | 0.1° |
| C19 | C20 | C21 | C16 | 0.3° | 0.4° |
| C19 | C20 | C21 | H23 | 179.7° | 180.0° |
| F2 | C20 | C21 | C16 | 179.9° | 179.8° |
| F2 | C20 | C21 | H23 | 0.1° | 0.1° |
| C18 | C17 | C16 | H22 | 180.0° | 179.9° |
| C18 | C17 | C16 | C21 | 0.2° | 0.1° |
| C18 | C17 | C16 | C15 | 179.9° | 180.0° |
| C20 | C21 | C16 | C17 | 0.1° | 0.4° |
| C20 | C21 | C16 | H23 | 180.0° | 179.6° |
| C20 | C21 | C16 | C15 | 179.8° | 179.8° |
| C17 | C16 | C21 | C15 | 179.9° | 179.8° |
| C17 | C16 | C15 | N2 | 125.4° | 90.0° |
| C17 | C16 | C15 | H20 | 114.2° | 30.1° |
| C17 | C16 | C15 | H21 | 4.9° | 150.1° |
| C17 | C16 | C21 | H23 | 179.9° | 180.0° |
| C21 | C16 | C15 | N2 | 54.7° | 90.2° |
| C21 | C16 | C15 | H20 | 65.7° | 149.8° |
| C21 | C16 | C15 | H21 | 175.2° | 29.8° |
| C21 | C16 | C17 | H22 | 179.8° | 179.8° |
| C16 | C15 | N2 | H20 | 120.5° | 120.0° |
| C16 | C15 | N2 | H21 | 120.5° | 120.0° |
| C16 | C15 | N2 | C14 | 176.5° | 180.0° |
| C16 | C15 | N2 | H18 | 62.7° | 56.1° |
| C16 | C15 | H20 | H21 | 118.5° | 119.9° |
| C15 | C16 | C17 | H22 | 0.1° | 0.1° |
| C15 | C16 | C21 | H23 | 0.2° | 0.1° |
| C15 | N2 | C14 | H18 | 120.7° | 123.9° |
| C15 | N2 | C14 | C22 | 24.6° | 155.0° |
| C15 | N2 | C14 | C13 | 98.8° | 85.0° |
| C15 | N2 | C14 | H17 | 143.6° | 35.0° |
| N2 | C15 | H20 | H21 | 118.5° | 120.0° |
| N2 | C14 | C22 | C13 | 124.0° | 120.0° |
| N2 | C14 | C22 | H17 | 119.3° | 119.9° |
| N2 | C14 | C13 | H17 | 117.9° | 120.0° |
| N2 | C14 | C22 | C23 | 176.2° | 180.0° |
| N2 | C14 | C13 | C12 | 174.5° | 180.0° |
| N2 | C14 | C13 | H15 | 65.3° | 59.9° |
| N2 | C14 | C13 | H16 | 54.3° | 60.0° |
| C14 | N2 | C15 | H20 | 56.1° | 60.0° |
| C14 | N2 | C15 | H21 | 63.0° | 60.0° |
| N2 | C14 | C22 | H24 | 56.0° | 60.0° |
| N2 | C14 | C22 | H25 | 63.6° | 60.0° |
| C22 | C14 | C13 | H17 | 116.7° | 120.0° |
| C14 | C22 | C23 | H24 | 120.2° | 120.1° |
| C14 | C22 | C23 | H25 | 120.2° | 120.0° |
| C22 | C14 | C13 | C12 | 60.1° | 60.0° |
| C14 | C22 | C23 | C11 | 56.2° | 60.0° |
| C22 | C14 | C13 | H15 | 60.0° | 180.0° |
| C22 | C14 | C13 | H16 | 179.7° | 60.0° |
| C22 | C14 | N2 | H18 | 145.3° | 31.0° |
| C14 | C22 | H24 | H25 | 119.5° | 120.1° |
| C14 | C22 | C23 | H26 | 64.3° | 180.0° |
| C14 | C22 | C23 | H27 | 176.7° | 60.1° |
| C13 | C14 | C22 | C23 | 59.8° | 60.0° |
| C14 | C13 | C12 | H15 | 120.1° | 120.0° |
| C14 | C13 | C12 | H16 | 120.1° | 120.1° |
| C14 | C13 | C12 | C11 | 56.8° | 60.0° |
| C14 | C13 | C12 | H4 | 177.2° | 60.0° |
| C14 | C13 | C12 | H5 | 63.6° | 180.0° |
| C14 | C13 | H15 | H16 | 119.5° | 120.0° |
| C13 | C14 | N2 | H18 | 21.9° | 151.0° |
| C13 | C14 | C22 | H24 | 180.0° | 180.0° |
| C13 | C14 | C22 | H25 | 60.4° | 60.0° |
| C22 | C23 | C11 | H26 | 120.5° | 120.0° |
| C22 | C23 | C11 | H27 | 120.4° | 120.1° |
| C22 | C23 | C11 | C12 | 51.4° | 60.0° |
| C22 | C23 | C11 | C10 | 176.1° | 180.0° |
| C22 | C23 | C11 | H3 | 65.6° | 60.0° |
| C23 | C22 | C14 | H17 | 56.9° | 60.1° |
| C23 | C22 | H24 | H25 | 119.6° | 119.9° |
| C22 | C23 | H26 | H27 | 118.6° | 120.0° |
| C13 | C12 | C11 | C23 | 51.6° | 60.0° |
| C13 | C12 | C11 | H4 | 120.4° | 120.1° |
| C13 | C12 | C11 | H5 | 120.4° | 120.0° |
| C13 | C12 | C11 | C10 | 177.2° | 180.0° |
| C13 | C12 | C11 | H3 | 65.4° | 59.9° |
| C13 | C12 | H4 | H5 | 118.7° | 120.0° |
| C12 | C13 | H15 | H16 | 119.6° | 120.0° |
| C12 | C13 | C14 | H17 | 56.6° | 60.0° |
| C23 | C11 | C12 | C10 | 125.6° | 120.0° |
| C23 | C11 | C12 | H3 | 117.0° | 120.0° |
| C23 | C11 | C10 | H3 | 118.2° | 120.0° |
| C23 | C11 | C10 | C9 | 85.2° | 65.1° |
| C23 | C11 | C10 | H1 | 35.4° | 175.0° |
| C23 | C11 | C10 | H2 | 154.2° | 55.0° |
| C23 | C11 | C12 | H4 | 172.0° | 60.0° |
| C23 | C11 | C12 | H5 | 68.8° | 180.0° |
| C11 | C23 | C22 | H24 | 176.4° | 180.0° |
| C11 | C23 | C22 | H25 | 63.9° | 60.0° |
| C11 | C23 | H26 | H27 | 118.6° | 120.0° |
| C12 | C11 | C10 | H3 | 117.4° | 120.0° |
| C12 | C11 | C10 | C9 | 39.2° | 175.0° |
| C12 | C11 | C10 | H1 | 159.7° | 55.1° |
| C12 | C11 | C10 | H2 | 81.4° | 65.0° |
| C11 | C12 | H4 | H5 | 118.7° | 120.0° |
| C11 | C12 | C13 | H15 | 63.3° | 180.0° |
| C11 | C12 | C13 | H16 | 176.9° | 60.0° |
| C12 | C11 | C23 | H26 | 69.0° | 180.0° |
| C12 | C11 | C23 | H27 | 171.9° | 60.1° |
| C11 | C10 | C9 | O2 | 66.0° | 65.0° |
| C11 | C10 | C9 | H1 | 120.6° | 119.9° |
| C11 | C10 | C9 | H2 | 120.6° | 120.0° |
| C11 | C10 | C9 | C8 | 171.1° | 175.0° |
| C11 | C10 | H1 | H2 | 118.2° | 120.0° |
| C10 | C11 | C12 | H4 | 62.4° | 59.9° |
| C10 | C11 | C12 | H5 | 56.8° | 60.0° |
| C11 | C10 | C9 | H13 | 52.3° | 55.1° |
| C10 | C11 | C23 | H26 | 55.7° | 60.0° |
| C10 | C11 | C23 | H27 | 63.4° | 59.9° |
| O2 | C9 | C10 | C8 | 123.0° | 120.0° |
| O2 | C9 | C10 | H13 | 118.3° | 120.0° |
| O2 | C9 | C8 | H13 | 117.5° | 120.0° |
| O2 | C9 | C8 | C7 | 45.2° | 25.0° |
| O2 | C9 | C8 | C24 | 134.9° | 155.0° |
| O2 | C9 | C10 | H1 | 54.6° | 54.9° |
| O2 | C9 | C10 | H2 | 173.5° | 175.0° |
| C10 | C9 | C8 | H13 | 118.7° | 120.0° |
| C10 | C9 | C8 | C7 | 169.0° | 95.1° |
| C10 | C9 | C8 | C24 | 11.1° | 85.0° |
| C9 | C10 | H1 | H2 | 118.2° | 120.0° |
| C9 | C10 | C11 | H3 | 156.6° | 55.0° |
| C10 | C9 | O2 | H14 | 180.0° | 60.0° |
| C9 | C8 | C7 | C24 | 179.9° | 180.0° |
| C9 | C8 | C24 | N3 | 0.1° | 0.2° |
| C9 | C8 | C7 | C6 | 180.0° | 180.0° |
| C9 | C8 | C24 | C5 | 180.0° | 180.0° |
| C8 | C9 | C10 | H1 | 68.4° | 65.1° |
| C8 | C9 | C10 | H2 | 50.5° | 55.0° |
| C9 | C8 | C7 | H12 | 0.0° | 0.1° |
| C8 | C9 | O2 | H14 | 54.3° | 60.0° |
| C1 | O1 | C2 | N3 | 25.0° | 0.2° |
| C1 | O1 | C2 | C3 | 154.9° | 180.0° |
| O1 | C1 | H6 | H7 | 120.0° | 120.1° |
| O1 | C1 | H6 | H8 | 120.0° | 119.9° |
| O1 | C1 | H7 | H8 | 120.0° | 120.0° |
| C7 | C8 | C24 | N3 | 179.9° | 179.7° |
| C8 | C7 | C6 | H12 | 180.0° | 179.9° |
| C7 | C8 | C24 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | N1 | 0.1° | 0.0° |
| C8 | C7 | C6 | H11 | 179.9° | 179.9° |
| C7 | C8 | C9 | H13 | 72.3° | 145.0° |
| C8 | C24 | N3 | C5 | 179.9° | 179.7° |
| C8 | C24 | N3 | C2 | 179.9° | 179.7° |
| C24 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C24 | C5 | N1 | 0.0° | 0.0° |
| C8 | C24 | C5 | C4 | 180.0° | 180.0° |
| C24 | C8 | C7 | H12 | 179.9° | 179.9° |
| C24 | C8 | C9 | H13 | 107.6° | 35.0° |
| C24 | N3 | C2 | O1 | 179.7° | 179.7° |
| C24 | N3 | C2 | C3 | 0.2° | 0.5° |
| N3 | C24 | C5 | N1 | 180.0° | 179.8° |
| N3 | C24 | C5 | C4 | 0.1° | 0.3° |
| N3 | C2 | O1 | C3 | 179.9° | 179.7° |
| C2 | N3 | C24 | C5 | 0.2° | 0.5° |
| N3 | C2 | C3 | C4 | 0.0° | 0.2° |
| N3 | C2 | C3 | H9 | 180.0° | 179.7° |
| O1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | O1 | C1 | H6 | 180.0° | 60.0° |
| C2 | O1 | C1 | H7 | 60.0° | 60.0° |
| C2 | O1 | C1 | H8 | 60.0° | 180.0° |
| O1 | C2 | C3 | H9 | 0.1° | 0.0° |
| C7 | C6 | N1 | H11 | 180.0° | 180.0° |
| C7 | C6 | N1 | C5 | 0.2° | 0.0° |
| C24 | C5 | N1 | C6 | 0.2° | 0.0° |
| C24 | C5 | N1 | C4 | 179.9° | 180.0° |
| C24 | C5 | C4 | C3 | 0.0° | 0.0° |
| C24 | C5 | C4 | H10 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H9 | 180.0° | 180.0° |
| C2 | C3 | C4 | H10 | 180.0° | 180.0° |
| C6 | N1 | C5 | C4 | 179.9° | 180.0° |
| N1 | C6 | C7 | H12 | 179.9° | 179.9° |
| N1 | C5 | C4 | C3 | 179.9° | 180.0° |
| N1 | C5 | C4 | H10 | 0.1° | 0.0° |
| C5 | N1 | C6 | H11 | 179.8° | 180.0° |
| C5 | C4 | C3 | H10 | 180.0° | 180.0° |
| C5 | C4 | C3 | H9 | 179.9° | 180.0° |
| H1 | C10 | C11 | H3 | 82.9° | 65.0° |
| H1 | C10 | C9 | H13 | 172.9° | 175.0° |
| H2 | C10 | C11 | H3 | 36.0° | 175.0° |
| H2 | C10 | C9 | H13 | 68.2° | 65.0° |
| H3 | C11 | C12 | H4 | 55.0° | 180.0° |
| H3 | C11 | C12 | H5 | 174.1° | 60.0° |
| H3 | C11 | C23 | H26 | 173.9° | 60.0° |
| H3 | C11 | C23 | H27 | 54.8° | 180.0° |
| H4 | C12 | C13 | H15 | 57.1° | 60.0° |
| H4 | C12 | C13 | H16 | 62.6° | 180.0° |
| H5 | C12 | C13 | H15 | 176.2° | 60.0° |
| H5 | C12 | C13 | H16 | 56.5° | 60.0° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H9 | C3 | C4 | H10 | 0.1° | 0.0° |
| H11 | C6 | C7 | H12 | 0.0° | 0.1° |
| H13 | C9 | O2 | H14 | 62.4° | 180.0° |
| H15 | C13 | C14 | H17 | 176.7° | 60.0° |
| H16 | C13 | C14 | H17 | 63.6° | 179.9° |
| H17 | C14 | N2 | H18 | 95.7° | 88.9° |
| H17 | C14 | C22 | H24 | 63.3° | 59.9° |
| H17 | C14 | C22 | H25 | 177.0° | 180.0° |
| H18 | N2 | C15 | H20 | 176.8° | 63.9° |
| H18 | N2 | C15 | H21 | 57.7° | 176.0° |
| H24 | C22 | C23 | H26 | 55.9° | 60.0° |
| H24 | C22 | C23 | H27 | 63.2° | 60.0° |
| H25 | C22 | C23 | H26 | 175.6° | 60.0° |
| H25 | C22 | C23 | H27 | 56.5° | 179.9° |
