QK5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C14 | N3 | sing | 1.38Å | 1.40Å | |
| N3 | C9 | sing | 1.47Å | 1.49Å | |
| N3 | C10 | sing | 1.47Å | 1.49Å | |
| C7 | C4 | sing | 1.46Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | C6 | sing | 1.51Å | 1.54Å | |
| C6 | N2 | sing | 1.37Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.34Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C12 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C16 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C18 | sing | 1.48Å | 1.39Å | Aromatic |
| C15 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | C20 | doub | 1.41Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.45Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| C21 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.36Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.47Å | 1.47Å | |
| C26 | N2 | sing | 1.46Å | 1.47Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | S1 | sing | 1.75Å | 1.69Å | Aromatic |
| C14 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N5 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | C3 | sing | 1.37Å | 1.33Å | Aromatic |
| C27 | N6 | trip | 1.14Å | 1.14Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C2 | 121.7° | 121.7° |
| N1 | C3 | C4 | 120.0° | 119.8° |
| N1 | C3 | N2 | 132.0° | 133.2° |
| N1 | C2 | C1 | 120.8° | 121.6° |
| N1 | C2 | H2 | 119.6° | 119.2° |
| C14 | N3 | C9 | 121.2° | 111.0° |
| C14 | N3 | C10 | 118.8° | 111.0° |
| N3 | C14 | N4 | 117.8° | 119.1° |
| N3 | C14 | N5 | 122.0° | 119.1° |
| C9 | N3 | C10 | 119.9° | 111.2° |
| N3 | C9 | C8 | 110.8° | 109.5° |
| N3 | C9 | H9 | 109.0° | 109.5° |
| N3 | C9 | H9A | 109.0° | 109.5° |
| N3 | C10 | C11 | 110.6° | 109.6° |
| N3 | C10 | H10 | 109.1° | 109.4° |
| N3 | C10 | H10A | 109.1° | 109.5° |
| C7 | C4 | C3 | 106.4° | 106.2° |
| C7 | C4 | C5 | 134.2° | 134.3° |
| C4 | C7 | C6 | 107.1° | 106.9° |
| C4 | C7 | C8 | 127.2° | 126.6° |
| C3 | C4 | C5 | 119.4° | 119.5° |
| C4 | C3 | N2 | 108.1° | 107.0° |
| C4 | C5 | C1 | 118.8° | 118.1° |
| C4 | C5 | H5 | 120.6° | 120.9° |
| C1 | C5 | H5 | 120.6° | 121.0° |
| C5 | C1 | C2 | 119.2° | 119.4° |
| C5 | C1 | H1 | 120.4° | 120.3° |
| C13 | C6 | N2 | 126.8° | 125.0° |
| C13 | C6 | C7 | 125.2° | 125.0° |
| C6 | C13 | H13 | 109.5° | 109.5° |
| C6 | C13 | H13A | 109.5° | 109.5° |
| C6 | C13 | H13B | 109.5° | 109.4° |
| N2 | C6 | C7 | 108.0° | 109.9° |
| C6 | N2 | C26 | 125.9° | 125.0° |
| C6 | N2 | C3 | 110.5° | 110.0° |
| C6 | C7 | C8 | 125.7° | 126.5° |
| C7 | C8 | C9 | 110.1° | 109.5° |
| C7 | C8 | C12 | 110.8° | 109.5° |
| C7 | C8 | H8 | 108.5° | 109.5° |
| C9 | C8 | C12 | 110.3° | 109.2° |
| C9 | C8 | H8 | 108.9° | 109.5° |
| C8 | C9 | H9 | 109.0° | 109.5° |
| C8 | C9 | H9A | 109.0° | 109.4° |
| C12 | C8 | H8 | 108.2° | 109.5° |
| C8 | C12 | C11 | 112.8° | 109.2° |
| C8 | C12 | H12 | 108.4° | 109.5° |
| C8 | C12 | H12A | 108.4° | 109.6° |
| C11 | C10 | H10 | 109.1° | 109.4° |
| C11 | C10 | H10A | 109.1° | 109.5° |
| C10 | C11 | C12 | 111.6° | 109.3° |
| C10 | C11 | H11 | 108.8° | 109.6° |
| C10 | C11 | H11A | 108.7° | 109.5° |
| H10 | C10 | H10A | 109.8° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.4° | 109.5° |
| C16 | C15 | C18 | 123.0° | 120.5° |
| C16 | C15 | N4 | 118.5° | 119.0° |
| C15 | C16 | C17 | 118.7° | 118.4° |
| C15 | C16 | H16 | 120.7° | 120.8° |
| C18 | C15 | N4 | 118.5° | 120.5° |
| C15 | C18 | C19 | 130.3° | 124.4° |
| C15 | C18 | S1 | 121.7° | 124.4° |
| C15 | N4 | C14 | 121.9° | 120.5° |
| C16 | C17 | N5 | 120.1° | 119.3° |
| C16 | C17 | H17 | 119.9° | 120.3° |
| C17 | C16 | H16 | 120.7° | 120.8° |
| N5 | C17 | H17 | 120.0° | 120.4° |
| C17 | N5 | C14 | 120.7° | 121.0° |
| C22 | C20 | C19 | 128.7° | 129.2° |
| C22 | C20 | C21 | 117.7° | 118.9° |
| C20 | C22 | C23 | 121.1° | 120.4° |
| C20 | C22 | H22 | 119.5° | 119.8° |
| C19 | C20 | C21 | 113.6° | 112.0° |
| C20 | C19 | C18 | 116.0° | 114.7° |
| C20 | C19 | H19 | 122.0° | 122.7° |
| C20 | C21 | S1 | 106.5° | 109.9° |
| C20 | C21 | C25 | 121.4° | 119.7° |
| S1 | C21 | C25 | 132.1° | 130.4° |
| C21 | S1 | C18 | 96.0° | 92.3° |
| C21 | C25 | C24 | 119.7° | 120.2° |
| C21 | C25 | H25 | 120.1° | 119.9° |
| C23 | C22 | H22 | 119.5° | 119.7° |
| C22 | C23 | C24 | 120.2° | 120.6° |
| C22 | C23 | H23 | 119.9° | 119.7° |
| C23 | C24 | C25 | 119.9° | 120.2° |
| C23 | C24 | H24 | 120.1° | 119.9° |
| C24 | C23 | H23 | 119.9° | 119.7° |
| C25 | C24 | H24 | 120.0° | 119.8° |
| C24 | C25 | H25 | 120.2° | 119.9° |
| C27 | C26 | N2 | 110.4° | 109.5° |
| C27 | C26 | H26 | 109.1° | 109.4° |
| C27 | C26 | H26A | 109.2° | 109.5° |
| C26 | C27 | N6 | 179.0° | 180.0° |
| N2 | C26 | H26 | 109.2° | 109.4° |
| N2 | C26 | H26A | 109.1° | 109.5° |
| C26 | N2 | C3 | 123.5° | 125.0° |
| H26 | C26 | H26A | 109.8° | 109.5° |
| C18 | C19 | H19 | 122.0° | 122.7° |
| C19 | C18 | S1 | 107.9° | 111.2° |
| N4 | C14 | N5 | 120.2° | 121.7° |
| H9 | C9 | H9A | 109.9° | 109.4° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C12 | C11 | H11A | 108.8° | 109.5° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C11 | C12 | H12A | 108.4° | 109.5° |
| H11 | C11 | H11A | 110.2° | 109.5° |
| H12 | C12 | H12A | 110.5° | 109.6° |
| C2 | C1 | H1 | 120.4° | 120.3° |
| C1 | C2 | H2 | 119.6° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C3 | C4 | C7 | 180.0° | 180.0° |
| N1 | C3 | C4 | N2 | 179.8° | 180.0° |
| N1 | C3 | C4 | C5 | 0.1° | 0.0° |
| N1 | C3 | N2 | C6 | 180.0° | 180.0° |
| N1 | C3 | N2 | C26 | 0.3° | 0.0° |
| C3 | N1 | C2 | C1 | 0.1° | 0.0° |
| C3 | N1 | C2 | H2 | 179.9° | 180.0° |
| C2 | N1 | C3 | C4 | 0.1° | 0.0° |
| N1 | C2 | C1 | C5 | 0.2° | 0.0° |
| N1 | C2 | C1 | H2 | 180.0° | 180.0° |
| N1 | C2 | C1 | H1 | 179.8° | 180.0° |
| C2 | N1 | C3 | N2 | 179.9° | 180.0° |
| C14 | N3 | C9 | C10 | 177.3° | 124.1° |
| C14 | N3 | C9 | C8 | 134.0° | 174.2° |
| C14 | N3 | C10 | C11 | 134.7° | 174.2° |
| C14 | N3 | C10 | H10 | 105.3° | 65.8° |
| C14 | N3 | C10 | H10A | 14.7° | 54.1° |
| N3 | C14 | N4 | C15 | 179.4° | 179.8° |
| N3 | C14 | N5 | C17 | 179.6° | 180.0° |
| N3 | C14 | N4 | N5 | 179.2° | 179.7° |
| C14 | N3 | C9 | H9 | 14.0° | 54.1° |
| C14 | N3 | C9 | H9A | 106.0° | 65.8° |
| N3 | C9 | C8 | C7 | 172.2° | 179.1° |
| N3 | C9 | C8 | H9 | 120.0° | 120.1° |
| N3 | C9 | C8 | H9A | 120.0° | 120.0° |
| N3 | C9 | C8 | C12 | 49.6° | 59.2° |
| N3 | C9 | C8 | H8 | 69.0° | 60.8° |
| C9 | N3 | C10 | C11 | 47.9° | 61.7° |
| C9 | N3 | C10 | H10 | 72.2° | 58.3° |
| C9 | N3 | C10 | H10A | 167.9° | 178.2° |
| C9 | N3 | C14 | N4 | 179.5° | 179.7° |
| C9 | N3 | C14 | N5 | 0.3° | 0.0° |
| N3 | C9 | H9 | H9A | 119.5° | 120.0° |
| C10 | N3 | C9 | C8 | 48.6° | 61.7° |
| N3 | C10 | C11 | H10 | 120.0° | 119.9° |
| N3 | C10 | C11 | H10A | 120.0° | 120.1° |
| N3 | C10 | H10 | H10A | 119.5° | 120.0° |
| C10 | N3 | C14 | N4 | 2.1° | 55.5° |
| C10 | N3 | C14 | N5 | 177.1° | 124.2° |
| C10 | N3 | C9 | H9 | 168.6° | 178.2° |
| C10 | N3 | C9 | H9A | 71.4° | 58.3° |
| N3 | C10 | C11 | C12 | 48.7° | 59.1° |
| N3 | C10 | C11 | H11 | 168.7° | 179.1° |
| N3 | C10 | C11 | H11A | 71.3° | 60.8° |
| C7 | C4 | C3 | C5 | 179.9° | 180.0° |
| C7 | C4 | C5 | C1 | 179.8° | 180.0° |
| C7 | C4 | C5 | H5 | 0.3° | 0.0° |
| C4 | C7 | C6 | C13 | 180.0° | 179.9° |
| C4 | C7 | C6 | N2 | 0.0° | 0.0° |
| C4 | C7 | C6 | C8 | 179.9° | 180.0° |
| C4 | C7 | C8 | C9 | 78.7° | 59.8° |
| C4 | C7 | C8 | C12 | 43.6° | 59.9° |
| C4 | C7 | C8 | H8 | 162.2° | 179.9° |
| C7 | C4 | C3 | N2 | 0.1° | 0.0° |
| C3 | C4 | C5 | C1 | 0.3° | 0.0° |
| C3 | C4 | C5 | H5 | 179.6° | 179.9° |
| C4 | C3 | N2 | C6 | 0.2° | 0.0° |
| C3 | C4 | C7 | C6 | 0.0° | 0.0° |
| C3 | C4 | C7 | C8 | 179.8° | 180.0° |
| C4 | C3 | N2 | C26 | 179.9° | 180.0° |
| C4 | C5 | C1 | H5 | 180.0° | 179.9° |
| C5 | C4 | C7 | C6 | 179.9° | 180.0° |
| C5 | C4 | C7 | C8 | 0.3° | 0.0° |
| C4 | C5 | C1 | C2 | 0.4° | 0.0° |
| C4 | C5 | C1 | H1 | 179.6° | 180.0° |
| C5 | C4 | C3 | N2 | 179.8° | 180.0° |
| C5 | C1 | C2 | H1 | 180.0° | 180.0° |
| C5 | C1 | C2 | H2 | 179.8° | 180.0° |
| H5 | C5 | C1 | C2 | 179.6° | 179.9° |
| H5 | C5 | C1 | H1 | 0.4° | 0.1° |
| C13 | C6 | N2 | C7 | 179.9° | 179.9° |
| C13 | C6 | C7 | C8 | 0.2° | 0.1° |
| C6 | C13 | H13 | H13A | 120.0° | 120.0° |
| C6 | C13 | H13 | H13B | 120.0° | 120.0° |
| C6 | C13 | H13A | H13B | 120.0° | 119.9° |
| C13 | C6 | N2 | C26 | 0.3° | 0.1° |
| C13 | C6 | N2 | C3 | 179.9° | 179.9° |
| N2 | C6 | C7 | C8 | 179.9° | 180.0° |
| N2 | C6 | C13 | H13 | 90.1° | 90.0° |
| N2 | C6 | C13 | H13A | 149.9° | 150.0° |
| N2 | C6 | C13 | H13B | 30.0° | 30.0° |
| C6 | N2 | C26 | C27 | 57.3° | 90.0° |
| C6 | N2 | C26 | C3 | 179.7° | 180.0° |
| C6 | N2 | C26 | H26 | 177.3° | 150.0° |
| C6 | N2 | C26 | H26A | 62.7° | 30.0° |
| C6 | C7 | C8 | C9 | 101.4° | 120.1° |
| C6 | C7 | C8 | C12 | 136.2° | 120.1° |
| C6 | C7 | C8 | H8 | 17.6° | 0.1° |
| C7 | C6 | C13 | H13 | 90.0° | 89.9° |
| C7 | C6 | C13 | H13A | 30.0° | 30.1° |
| C7 | C6 | C13 | H13B | 149.9° | 150.1° |
| C7 | C6 | N2 | C26 | 179.8° | 180.0° |
| C7 | C6 | N2 | C3 | 0.1° | 0.0° |
| C7 | C8 | C9 | C12 | 122.6° | 119.9° |
| C7 | C8 | C9 | H8 | 118.8° | 120.1° |
| C7 | C8 | C12 | H8 | 118.8° | 120.2° |
| C7 | C8 | C9 | H9 | 67.8° | 60.8° |
| C7 | C8 | C9 | H9A | 52.2° | 59.1° |
| C7 | C8 | C12 | C11 | 177.9° | 177.6° |
| C7 | C8 | C12 | H12 | 62.1° | 62.5° |
| C7 | C8 | C12 | H12A | 57.8° | 57.6° |
| C9 | C8 | C12 | H8 | 119.0° | 119.9° |
| C8 | C9 | H9 | H9A | 119.5° | 119.9° |
| C9 | C8 | C12 | C11 | 55.6° | 57.7° |
| C9 | C8 | C12 | H12 | 175.7° | 177.5° |
| C9 | C8 | C12 | H12A | 64.4° | 62.3° |
| C8 | C12 | C11 | C10 | 55.6° | 57.7° |
| C12 | C8 | C9 | H9 | 169.6° | 179.2° |
| C12 | C8 | C9 | H9A | 70.4° | 60.8° |
| C8 | C12 | C11 | H12 | 120.0° | 119.9° |
| C8 | C12 | C11 | H12A | 120.0° | 120.0° |
| C8 | C12 | C11 | H11 | 175.6° | 177.7° |
| C8 | C12 | C11 | H11A | 64.4° | 62.2° |
| C8 | C12 | H12 | H12A | 118.6° | 120.2° |
| H8 | C8 | C9 | H9 | 51.0° | 59.3° |
| H8 | C8 | C9 | H9A | 171.0° | 179.2° |
| H8 | C8 | C12 | C11 | 63.4° | 62.3° |
| H8 | C8 | C12 | H12 | 56.6° | 57.6° |
| H8 | C8 | C12 | H12A | 176.6° | 177.8° |
| C11 | C10 | H10 | H10A | 119.5° | 120.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.1° |
| C10 | C11 | C12 | H11A | 120.0° | 119.9° |
| C10 | C11 | H11 | H11A | 119.1° | 120.1° |
| C10 | C11 | C12 | H12 | 175.6° | 177.5° |
| C10 | C11 | C12 | H12A | 64.4° | 62.3° |
| H10 | C10 | C11 | C12 | 71.3° | 60.8° |
| H10 | C10 | C11 | H11 | 48.7° | 59.2° |
| H10 | C10 | C11 | H11A | 168.7° | 179.3° |
| H10A | C10 | C11 | C12 | 168.7° | 179.2° |
| H10A | C10 | C11 | H11 | 71.3° | 60.8° |
| H10A | C10 | C11 | H11A | 48.7° | 59.3° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| C16 | C15 | C18 | N4 | 178.8° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | N5 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C18 | C19 | 11.0° | 179.7° |
| C16 | C15 | C18 | S1 | 170.4° | 0.0° |
| C16 | C15 | N4 | C14 | 0.1° | 0.2° |
| C18 | C15 | C16 | C17 | 179.0° | 180.0° |
| C15 | C18 | C19 | C20 | 179.1° | 180.0° |
| C15 | C18 | S1 | C21 | 179.3° | 179.9° |
| C15 | C18 | C19 | S1 | 178.8° | 179.7° |
| C15 | C18 | C19 | H19 | 0.9° | 0.0° |
| C18 | C15 | N4 | C14 | 179.0° | 179.9° |
| C18 | C15 | C16 | H16 | 1.0° | 0.0° |
| N4 | C15 | C16 | C17 | 0.3° | 0.2° |
| N4 | C15 | C18 | C19 | 167.8° | 0.0° |
| N4 | C15 | C18 | S1 | 10.9° | 179.7° |
| N4 | C15 | C16 | H16 | 179.7° | 179.7° |
| C15 | N4 | C14 | N5 | 0.2° | 0.1° |
| C16 | C17 | N5 | H17 | 180.0° | 180.0° |
| C16 | C17 | N5 | C14 | 0.3° | 0.3° |
| C17 | N5 | C14 | N4 | 0.4° | 0.3° |
| N5 | C17 | C16 | H16 | 179.9° | 180.0° |
| H17 | C17 | C16 | H16 | 0.1° | 0.0° |
| H17 | C17 | N5 | C14 | 179.7° | 179.7° |
| C22 | C20 | C19 | C21 | 179.7° | 179.7° |
| C22 | C20 | C21 | S1 | 180.0° | 180.0° |
| C22 | C20 | C21 | C25 | 0.2° | 0.0° |
| C20 | C22 | C23 | H22 | 180.0° | 180.0° |
| C20 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C20 | C19 | C18 | 179.6° | 179.7° |
| C22 | C20 | C19 | H19 | 0.4° | 0.3° |
| C20 | C22 | C23 | H23 | 179.7° | 180.0° |
| C19 | C20 | C21 | S1 | 0.3° | 0.3° |
| C19 | C20 | C21 | C25 | 180.0° | 179.8° |
| C19 | C20 | C22 | C23 | 179.7° | 179.7° |
| C19 | C20 | C22 | H22 | 0.3° | 0.3° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | S1 | 0.4° | 0.2° |
| C20 | C21 | S1 | C25 | 179.7° | 179.9° |
| C21 | C20 | C22 | C23 | 0.0° | 0.0° |
| C21 | C20 | C22 | H22 | 180.0° | 180.0° |
| C20 | C21 | C25 | C24 | 0.1° | 0.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C20 | C21 | C25 | H25 | 179.8° | 180.0° |
| C20 | C21 | S1 | C18 | 0.4° | 0.4° |
| S1 | C21 | C25 | C24 | 179.9° | 180.0° |
| C21 | S1 | C18 | C19 | 0.4° | 0.3° |
| S1 | C21 | C25 | H25 | 0.1° | 0.1° |
| C21 | C25 | C24 | C23 | 0.2° | 0.0° |
| C21 | C25 | C24 | H25 | 180.0° | 179.9° |
| C21 | C25 | C24 | H24 | 179.9° | 180.0° |
| C25 | C21 | S1 | C18 | 179.9° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.4° | 0.0° |
| C22 | C23 | C24 | H24 | 179.7° | 180.0° |
| H22 | C22 | C23 | C24 | 179.7° | 180.0° |
| H22 | C22 | C23 | H23 | 0.3° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | H25 | 179.8° | 179.9° |
| C25 | C24 | C23 | H23 | 179.6° | 180.0° |
| H24 | C24 | C23 | H23 | 0.3° | 0.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| C27 | C26 | N2 | H26 | 120.0° | 120.0° |
| C27 | C26 | N2 | H26A | 120.0° | 120.1° |
| C27 | C26 | H26 | H26A | 119.6° | 120.0° |
| C27 | C26 | N2 | C3 | 122.3° | 90.0° |
| N2 | C26 | H26 | H26A | 119.6° | 120.0° |
| N2 | C26 | C27 | N6 | 94.7° | 27.7° |
| H26 | C26 | N2 | C3 | 2.3° | 30.0° |
| H26 | C26 | C27 | N6 | 145.3° | 147.7° |
| H26A | C26 | N2 | C3 | 117.7° | 150.0° |
| H26A | C26 | C27 | N6 | 25.3° | 92.3° |
| H19 | C19 | C18 | S1 | 179.6° | 179.8° |
| C12 | C11 | H11 | H11A | 119.1° | 120.0° |
| C11 | C12 | H12 | H12A | 118.7° | 120.1° |
| H11 | C11 | C12 | H12 | 64.4° | 62.4° |
| H11 | C11 | C12 | H12A | 55.6° | 57.7° |
| H11A | C11 | C12 | H12 | 55.7° | 57.6° |
| H11A | C11 | C12 | H12A | 175.6° | 177.8° |
| H1 | C1 | C2 | H2 | 0.2° | 0.0° |
