SQE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C13 | sing | 1.40Å | 1.35Å | |
| F | C13 | sing | 1.40Å | 1.35Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C14 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C11 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | CL | sing | 1.74Å | 1.73Å | |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.48Å | |
| O | C19 | doub | 1.22Å | 1.23Å | |
| C19 | C6 | sing | 1.47Å | 1.45Å | |
| C19 | N4 | sing | 1.35Å | 1.38Å | |
| C24 | O2 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | doub | 1.37Å | 1.35Å | |
| O2 | C21 | sing | 1.43Å | 1.39Å | |
| N5 | C23 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | O1 | sing | 1.43Å | 1.41Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C3 | sing | 1.37Å | 1.38Å | |
| C5 | C4 | sing | 1.41Å | 1.43Å | |
| C22 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | N | sing | 1.38Å | 1.34Å | |
| N | C | sing | 1.46Å | 1.45Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| N5 | H22 | sing | 1.01Å | 1.00Å | |
| N5 | H23 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C13 | F | 104.1° | 109.5° |
| F1 | C13 | C12 | 110.1° | 109.4° |
| F1 | C13 | H1 | 111.5° | 109.5° |
| F | C13 | C12 | 110.4° | 109.5° |
| F | C13 | H1 | 111.6° | 109.5° |
| C13 | C12 | C14 | 125.7° | 119.6° |
| C13 | C12 | N3 | 111.8° | 119.5° |
| C12 | C13 | H1 | 109.0° | 109.5° |
| C12 | C14 | C15 | 118.6° | 119.4° |
| C14 | C12 | N3 | 122.5° | 120.9° |
| C12 | C14 | H7 | 120.7° | 120.3° |
| C14 | C15 | C16 | 119.5° | 118.5° |
| C15 | C14 | H7 | 120.7° | 120.3° |
| C14 | C15 | H8 | 120.3° | 120.7° |
| C12 | N3 | C11 | 118.7° | 121.6° |
| C15 | C16 | C11 | 118.8° | 119.1° |
| C16 | C15 | H8 | 120.3° | 120.8° |
| C15 | C16 | H9 | 120.6° | 120.5° |
| N3 | C11 | C16 | 122.0° | 120.6° |
| N3 | C11 | C10 | 115.9° | 119.7° |
| C16 | C11 | C10 | 122.0° | 119.7° |
| C11 | C16 | H9 | 120.6° | 120.5° |
| C11 | C10 | C9 | 120.7° | 120.0° |
| C11 | C10 | C17 | 121.0° | 120.0° |
| C9 | C10 | C17 | 118.3° | 120.0° |
| C10 | C9 | C8 | 120.3° | 120.0° |
| C10 | C9 | H21 | 119.9° | 120.0° |
| C10 | C17 | C18 | 121.2° | 120.1° |
| C10 | C17 | H10 | 119.4° | 120.0° |
| C9 | C8 | CL | 117.6° | 120.0° |
| C9 | C8 | C7 | 121.5° | 120.0° |
| C8 | C9 | H21 | 119.8° | 120.0° |
| C17 | C18 | C7 | 120.7° | 120.0° |
| C18 | C17 | H10 | 119.4° | 119.9° |
| C17 | C18 | H11 | 119.7° | 120.0° |
| CL | C8 | C7 | 120.8° | 120.0° |
| C8 | C7 | C18 | 117.9° | 120.0° |
| C8 | C7 | C6 | 122.8° | 120.0° |
| C18 | C7 | C6 | 119.2° | 120.0° |
| C7 | C18 | H11 | 119.6° | 120.0° |
| C7 | C6 | C19 | 117.9° | 120.3° |
| C7 | C6 | C5 | 122.4° | 120.4° |
| O | C19 | C6 | 123.6° | 119.9° |
| O | C19 | N4 | 119.0° | 119.8° |
| C6 | C19 | N4 | 117.2° | 120.3° |
| C19 | C6 | C5 | 119.6° | 119.4° |
| C19 | N4 | C20 | 116.7° | 119.6° |
| C19 | N4 | C3 | 123.5° | 120.7° |
| O2 | C24 | C23 | 112.2° | 109.0° |
| C24 | O2 | C21 | 111.3° | 113.8° |
| O2 | C24 | H18 | 108.8° | 109.5° |
| O2 | C24 | H19 | 108.8° | 109.5° |
| C24 | C23 | N5 | 109.9° | 109.7° |
| C24 | C23 | C22 | 111.9° | 108.8° |
| C24 | C23 | H17 | 108.3° | 109.6° |
| C23 | C24 | H18 | 108.8° | 109.6° |
| C23 | C24 | H19 | 108.8° | 109.6° |
| C6 | C5 | C4 | 122.1° | 119.0° |
| C6 | C5 | H20 | 119.0° | 120.5° |
| O2 | C21 | C20 | 110.3° | 109.5° |
| O2 | C21 | O1 | 110.2° | 109.5° |
| O2 | C21 | H14 | 109.5° | 109.5° |
| N5 | C23 | C22 | 109.2° | 109.6° |
| N5 | C23 | H17 | 109.0° | 109.6° |
| C23 | N5 | H22 | 109.5° | 111.0° |
| C23 | N5 | H23 | 109.4° | 111.0° |
| C20 | C21 | O1 | 109.5° | 109.5° |
| C21 | C20 | N4 | 110.6° | 109.4° |
| C21 | C20 | H12 | 109.2° | 109.5° |
| C21 | C20 | H13 | 109.2° | 109.5° |
| C20 | C21 | H14 | 107.9° | 109.5° |
| C21 | O1 | C22 | 111.2° | 113.8° |
| O1 | C21 | H14 | 109.3° | 109.4° |
| C23 | C22 | O1 | 111.6° | 108.9° |
| C23 | C22 | H15 | 108.9° | 109.6° |
| C23 | C22 | H16 | 109.0° | 109.7° |
| C22 | C23 | H17 | 108.3° | 109.6° |
| C20 | N4 | C3 | 119.7° | 119.7° |
| N4 | C20 | H12 | 109.2° | 109.5° |
| N4 | C20 | H13 | 109.2° | 109.4° |
| N4 | C3 | C4 | 119.4° | 120.4° |
| N4 | C3 | N2 | 117.1° | 120.9° |
| C5 | C4 | C3 | 118.0° | 120.2° |
| C5 | C4 | C2 | 126.7° | 121.2° |
| C4 | C5 | H20 | 118.9° | 120.5° |
| O1 | C22 | H15 | 109.0° | 109.5° |
| O1 | C22 | H16 | 108.9° | 109.5° |
| C4 | C3 | N2 | 123.5° | 118.7° |
| C3 | C4 | C2 | 115.3° | 118.6° |
| C3 | N2 | C1 | 115.4° | 120.6° |
| C4 | C2 | N1 | 122.6° | 118.6° |
| C4 | C2 | H2 | 118.7° | 120.7° |
| N2 | C1 | N1 | 126.8° | 122.4° |
| N2 | C1 | N | 116.7° | 118.8° |
| C2 | N1 | C1 | 116.4° | 121.2° |
| N1 | C2 | H2 | 118.7° | 120.7° |
| N1 | C1 | N | 116.5° | 118.8° |
| C1 | N | C | 123.2° | 120.0° |
| C1 | N | H3 | 106.0° | 120.0° |
| C | N | H3 | 105.9° | 120.0° |
| N | C | H4 | 109.5° | 109.5° |
| N | C | H5 | 109.5° | 109.5° |
| N | C | H6 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.4° | 109.4° |
| H5 | C | H6 | 109.5° | 109.4° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.6° |
| H18 | C24 | H19 | 109.4° | 109.6° |
| H22 | N5 | H23 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C13 | F | C12 | 118.2° | 119.9° |
| F1 | C13 | F | H1 | 120.4° | 120.0° |
| F1 | C13 | C12 | H1 | 122.7° | 120.0° |
| F1 | C13 | C12 | C14 | 2.2° | 60.3° |
| F1 | C13 | C12 | N3 | 178.4° | 120.0° |
| F | C13 | C12 | H1 | 122.9° | 120.1° |
| F | C13 | C12 | C14 | 116.6° | 59.6° |
| F | C13 | C12 | N3 | 63.9° | 120.0° |
| C13 | C12 | C14 | N3 | 179.4° | 179.7° |
| C13 | C12 | C14 | C15 | 179.2° | 180.0° |
| C13 | C12 | N3 | C11 | 178.8° | 179.8° |
| C13 | C12 | C14 | H7 | 0.8° | 0.1° |
| C12 | C14 | C15 | H7 | 180.0° | 179.9° |
| C12 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C12 | N3 | C11 | 0.7° | 0.5° |
| C14 | C12 | C13 | H1 | 120.5° | 179.7° |
| C12 | C14 | C15 | H8 | 179.9° | 180.0° |
| C15 | C14 | C12 | N3 | 0.2° | 0.3° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.5° | 0.0° |
| C14 | C15 | C16 | H9 | 179.5° | 180.0° |
| C12 | N3 | C11 | C16 | 1.1° | 0.5° |
| C12 | N3 | C11 | C10 | 175.1° | 179.7° |
| N3 | C12 | C13 | H1 | 58.9° | 0.0° |
| N3 | C12 | C14 | H7 | 179.8° | 179.8° |
| C15 | C16 | C11 | N3 | 1.1° | 0.2° |
| C15 | C16 | C11 | H9 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 174.9° | 180.0° |
| C16 | C15 | C14 | H7 | 179.9° | 180.0° |
| N3 | C11 | C16 | C10 | 176.0° | 179.8° |
| N3 | C11 | C10 | C9 | 112.3° | 0.2° |
| N3 | C11 | C10 | C17 | 67.6° | 179.5° |
| N3 | C11 | C16 | H9 | 178.9° | 179.8° |
| C16 | C11 | C10 | C9 | 71.4° | 180.0° |
| C16 | C11 | C10 | C17 | 108.7° | 0.3° |
| C11 | C16 | C15 | H8 | 179.5° | 180.0° |
| C11 | C10 | C9 | C17 | 179.9° | 179.7° |
| C11 | C10 | C9 | C8 | 179.9° | 179.7° |
| C11 | C10 | C17 | C18 | 180.0° | 179.7° |
| C10 | C11 | C16 | H9 | 5.1° | 0.0° |
| C11 | C10 | C17 | H10 | 0.0° | 0.3° |
| C11 | C10 | C9 | H21 | 0.1° | 0.3° |
| C10 | C9 | C8 | H21 | 180.0° | 180.0° |
| C9 | C10 | C17 | C18 | 0.1° | 0.0° |
| C10 | C9 | C8 | CL | 179.3° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C10 | C17 | H10 | 179.9° | 180.0° |
| C17 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C17 | C18 | H10 | 180.0° | 180.0° |
| C10 | C17 | C18 | C7 | 0.5° | 0.0° |
| C10 | C17 | C18 | H11 | 179.5° | 179.9° |
| C17 | C10 | C9 | H21 | 180.0° | 180.0° |
| C9 | C8 | CL | C7 | 179.7° | 179.9° |
| C9 | C8 | C7 | C18 | 0.7° | 0.1° |
| C9 | C8 | C7 | C6 | 175.6° | 180.0° |
| C17 | C18 | C7 | C8 | 0.7° | 0.0° |
| C17 | C18 | C7 | H11 | 180.0° | 180.0° |
| C17 | C18 | C7 | C6 | 175.7° | 180.0° |
| CL | C8 | C7 | C18 | 179.0° | 180.0° |
| CL | C8 | C7 | C6 | 4.8° | 0.1° |
| CL | C8 | C9 | H21 | 0.6° | 0.0° |
| C8 | C7 | C18 | C6 | 176.4° | 179.9° |
| C8 | C7 | C6 | C19 | 107.3° | 75.1° |
| C8 | C7 | C6 | C5 | 76.0° | 105.0° |
| C8 | C7 | C18 | H11 | 179.3° | 179.9° |
| C7 | C8 | C9 | H21 | 179.7° | 180.0° |
| C18 | C7 | C6 | C19 | 68.9° | 105.0° |
| C18 | C7 | C6 | C5 | 107.8° | 74.9° |
| C7 | C18 | C17 | H10 | 179.5° | 180.0° |
| C7 | C6 | C19 | O | 9.5° | 0.0° |
| C7 | C6 | C19 | C5 | 176.8° | 180.0° |
| C7 | C6 | C19 | N4 | 173.8° | 179.8° |
| C7 | C6 | C5 | C4 | 175.8° | 180.0° |
| C6 | C7 | C18 | H11 | 4.3° | 0.0° |
| C7 | C6 | C5 | H20 | 4.2° | 0.1° |
| O | C19 | C6 | N4 | 176.7° | 179.8° |
| O | C19 | C6 | C5 | 173.7° | 180.0° |
| O | C19 | N4 | C20 | 10.1° | 0.2° |
| O | C19 | N4 | C3 | 173.6° | 180.0° |
| C6 | C19 | N4 | C20 | 173.0° | 180.0° |
| C6 | C19 | N4 | C3 | 3.2° | 0.2° |
| C19 | C6 | C5 | C4 | 0.8° | 0.0° |
| C19 | C6 | C5 | H20 | 179.2° | 180.0° |
| N4 | C19 | C6 | C5 | 3.0° | 0.2° |
| C19 | N4 | C20 | C21 | 62.9° | 90.0° |
| C19 | N4 | C20 | C3 | 176.4° | 179.7° |
| C19 | N4 | C3 | C4 | 1.2° | 0.0° |
| C19 | N4 | C3 | N2 | 177.4° | 180.0° |
| C19 | N4 | C20 | H12 | 176.9° | 30.0° |
| C19 | N4 | C20 | H13 | 57.2° | 149.9° |
| O2 | C24 | C23 | H18 | 120.4° | 119.8° |
| O2 | C24 | C23 | H19 | 120.4° | 119.8° |
| O2 | C24 | C23 | N5 | 162.8° | 174.4° |
| C24 | O2 | C21 | C20 | 173.5° | 178.7° |
| C24 | O2 | C21 | O1 | 65.4° | 58.7° |
| O2 | C24 | C23 | C22 | 41.3° | 54.5° |
| C24 | O2 | C21 | H14 | 54.9° | 61.2° |
| O2 | C24 | C23 | H17 | 78.1° | 65.3° |
| O2 | C24 | H18 | H19 | 118.7° | 120.2° |
| C23 | C24 | O2 | C21 | 52.8° | 58.0° |
| C24 | C23 | N5 | C22 | 123.2° | 119.4° |
| C24 | C23 | N5 | H17 | 118.6° | 120.3° |
| C24 | C23 | C22 | H17 | 119.4° | 119.8° |
| C24 | C23 | C22 | O1 | 41.9° | 54.5° |
| C24 | C23 | C22 | H15 | 78.4° | 65.3° |
| C24 | C23 | C22 | H16 | 162.2° | 174.4° |
| C23 | C24 | H18 | H19 | 118.8° | 120.3° |
| C24 | C23 | N5 | H22 | 180.0° | 60.6° |
| C24 | C23 | N5 | H23 | 60.0° | 175.5° |
| C6 | C5 | C4 | H20 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 1.2° | 0.2° |
| C6 | C5 | C4 | C2 | 176.8° | 180.0° |
| O2 | C21 | C20 | O1 | 121.5° | 120.0° |
| O2 | C21 | C20 | H14 | 119.6° | 120.1° |
| O2 | C21 | O1 | H14 | 120.4° | 120.0° |
| O2 | C21 | C20 | N4 | 162.2° | 60.0° |
| O2 | C21 | O1 | C22 | 66.4° | 58.8° |
| O2 | C21 | C20 | H12 | 77.7° | 60.0° |
| O2 | C21 | C20 | H13 | 42.0° | 180.0° |
| C21 | O2 | C24 | H18 | 67.6° | 177.8° |
| C21 | O2 | C24 | H19 | 173.3° | 61.9° |
| N5 | C23 | C22 | H17 | 118.6° | 120.3° |
| N5 | C23 | C22 | O1 | 163.8° | 174.4° |
| N5 | C23 | C22 | H15 | 43.5° | 54.6° |
| N5 | C23 | C22 | H16 | 75.8° | 65.7° |
| N5 | C23 | C24 | H18 | 42.4° | 65.8° |
| N5 | C23 | C24 | H19 | 76.8° | 54.6° |
| C23 | N5 | H22 | H23 | 120.0° | 123.9° |
| C20 | C21 | O1 | H14 | 118.0° | 120.0° |
| C21 | C20 | N4 | H12 | 120.2° | 120.0° |
| C21 | C20 | N4 | H13 | 120.2° | 120.0° |
| C21 | C20 | N4 | C3 | 113.5° | 89.7° |
| C20 | C21 | O1 | C22 | 172.1° | 178.8° |
| C21 | C20 | H12 | H13 | 119.5° | 120.1° |
| C21 | O1 | C22 | C23 | 54.0° | 57.9° |
| O1 | C21 | C20 | N4 | 76.3° | 60.0° |
| O1 | C21 | C20 | H12 | 43.9° | 180.0° |
| O1 | C21 | C20 | H13 | 163.5° | 60.0° |
| C21 | O1 | C22 | H15 | 66.3° | 61.9° |
| C21 | O1 | C22 | H16 | 174.4° | 177.9° |
| C23 | C22 | O1 | H15 | 120.3° | 119.8° |
| C23 | C22 | O1 | H16 | 120.3° | 119.9° |
| C23 | C22 | H15 | H16 | 119.0° | 120.4° |
| C22 | C23 | C24 | H18 | 79.2° | 174.4° |
| C22 | C23 | C24 | H19 | 161.7° | 65.3° |
| C22 | C23 | N5 | H22 | 56.8° | 180.0° |
| C22 | C23 | N5 | H23 | 63.2° | 56.1° |
| C20 | N4 | C3 | C4 | 174.9° | 179.7° |
| C20 | N4 | C3 | N2 | 6.5° | 0.3° |
| N4 | C20 | H12 | H13 | 119.5° | 120.0° |
| N4 | C20 | C21 | H14 | 42.5° | 179.9° |
| N4 | C3 | C4 | C5 | 1.1° | 0.2° |
| N4 | C3 | C4 | N2 | 178.5° | 180.0° |
| N4 | C3 | C4 | C2 | 177.2° | 180.0° |
| N4 | C3 | N2 | C1 | 177.7° | 180.0° |
| C3 | N4 | C20 | H12 | 6.7° | 150.3° |
| C3 | N4 | C20 | H13 | 126.4° | 30.3° |
| C5 | C4 | C3 | C2 | 178.3° | 179.8° |
| C5 | C4 | C3 | N2 | 179.6° | 179.7° |
| C5 | C4 | C2 | N1 | 178.2° | 179.7° |
| C5 | C4 | C2 | H2 | 1.8° | 0.2° |
| C22 | O1 | C21 | H14 | 54.1° | 61.2° |
| O1 | C22 | H15 | H16 | 119.0° | 120.2° |
| O1 | C22 | C23 | H17 | 77.5° | 65.3° |
| C4 | C3 | N2 | C1 | 0.8° | 0.0° |
| C3 | C4 | C2 | N1 | 0.1° | 0.1° |
| C3 | C4 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | H20 | 178.8° | 179.7° |
| N2 | C3 | C4 | C2 | 1.3° | 0.0° |
| C3 | N2 | C1 | N1 | 1.0° | 0.0° |
| C3 | N2 | C1 | N | 177.6° | 180.0° |
| C4 | C2 | N1 | H2 | 180.0° | 179.9° |
| C4 | C2 | N1 | C1 | 1.4° | 0.1° |
| C2 | C4 | C5 | H20 | 3.2° | 0.0° |
| N2 | C1 | N1 | C2 | 2.1° | 0.0° |
| N2 | C1 | N1 | N | 178.5° | 180.0° |
| N2 | C1 | N | C | 1.5° | 180.0° |
| N2 | C1 | N | H3 | 120.4° | 0.0° |
| C2 | N1 | C1 | N | 176.5° | 180.0° |
| N1 | C1 | N | C | 177.2° | 0.0° |
| C1 | N1 | C2 | H2 | 178.6° | 180.0° |
| N1 | C1 | N | H3 | 60.9° | 180.0° |
| C1 | N | C | H3 | 121.9° | 180.0° |
| C1 | N | C | H4 | 180.0° | 180.0° |
| C1 | N | C | H5 | 60.0° | 60.0° |
| C1 | N | C | H6 | 60.0° | 60.0° |
| N | C | H4 | H5 | 120.0° | 120.0° |
| N | C | H4 | H6 | 120.0° | 120.0° |
| N | C | H5 | H6 | 120.0° | 120.0° |
| H3 | N | C | H4 | 58.1° | 0.0° |
| H3 | N | C | H5 | 178.1° | 120.0° |
| H3 | N | C | H6 | 61.9° | 120.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H7 | C14 | C15 | H8 | 0.1° | 0.0° |
| H8 | C15 | C16 | H9 | 0.5° | 0.0° |
| H10 | C17 | C18 | H11 | 0.5° | 0.0° |
| H12 | C20 | C21 | H14 | 162.7° | 60.1° |
| H13 | C20 | C21 | H14 | 77.6° | 60.0° |
| H15 | C22 | C23 | H17 | 162.2° | 174.9° |
| H16 | C22 | C23 | H17 | 42.8° | 54.6° |
| H17 | C23 | C24 | H18 | 161.4° | 54.6° |
| H17 | C23 | C24 | H19 | 42.3° | 174.9° |
| H17 | C23 | N5 | H22 | 61.4° | 59.7° |
| H17 | C23 | N5 | H23 | 178.6° | 64.2° |
