KU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| CL1 | C23 | sing | 1.74Å | 1.75Å | |
| O5 | C15 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C18 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N3 | sing | 1.35Å | 1.34Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| N3 | C24 | sing | 1.47Å | 1.47Å | |
| N3 | C14 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C3 | sing | 1.48Å | 1.51Å | |
| C24 | C25 | sing | 1.55Å | 1.51Å | |
| N2 | C3 | sing | 1.35Å | 1.34Å | |
| N2 | C13 | doub | 1.30Å | 1.33Å | |
| C3 | C2 | doub | 1.39Å | 1.36Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C26 | sing | 1.54Å | 1.54Å | |
| C13 | N4 | sing | 1.35Å | 1.37Å | |
| C2 | O2 | sing | 1.36Å | 1.34Å | |
| C2 | C1 | sing | 1.47Å | 1.39Å | |
| N4 | C1 | sing | 1.35Å | 1.38Å | |
| C25 | C26 | sing | 1.55Å | 1.52Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.08Å | 1.08Å | |
| N1 | H25 | sing | 0.97Å | 1.00Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 119.8° | 120.1° |
| C10 | C9 | C8 | 120.6° | 120.1° |
| C9 | C10 | H1 | 120.1° | 119.9° |
| C10 | C9 | H24 | 119.7° | 120.0° |
| C10 | C11 | C12 | 120.7° | 120.0° |
| C11 | C10 | H1 | 120.1° | 120.0° |
| C10 | C11 | H2 | 119.7° | 119.9° |
| C9 | C8 | C7 | 119.5° | 120.0° |
| C9 | C8 | H23 | 120.3° | 120.0° |
| C8 | C9 | H24 | 119.7° | 120.0° |
| C11 | C12 | C7 | 119.4° | 120.0° |
| C12 | C11 | H2 | 119.6° | 120.0° |
| C11 | C12 | H3 | 120.3° | 120.0° |
| C8 | C7 | C12 | 120.1° | 119.9° |
| C8 | C7 | O3 | 120.5° | 120.1° |
| C7 | C8 | H23 | 120.3° | 120.0° |
| C12 | C7 | O3 | 119.5° | 120.1° |
| C7 | C12 | H3 | 120.3° | 120.0° |
| C7 | O3 | C6 | 118.4° | 117.0° |
| O3 | C6 | C5 | 108.1° | 109.5° |
| O3 | C6 | H21 | 109.8° | 109.5° |
| O3 | C6 | H22 | 109.8° | 109.5° |
| C6 | C5 | N1 | 112.3° | 109.5° |
| C6 | C5 | H19 | 108.7° | 109.5° |
| C6 | C5 | H20 | 108.8° | 109.4° |
| C5 | C6 | H21 | 109.8° | 109.5° |
| C5 | C6 | H22 | 109.8° | 109.4° |
| C16 | C17 | C18 | 113.8° | 109.5° |
| C17 | C16 | C15 | 114.4° | 109.5° |
| C17 | C16 | H5 | 108.3° | 109.5° |
| C17 | C16 | H6 | 108.3° | 109.5° |
| C16 | C17 | H7 | 108.4° | 109.4° |
| C16 | C17 | H8 | 108.4° | 109.5° |
| C17 | C18 | C23 | 121.7° | 120.0° |
| C17 | C18 | C19 | 121.7° | 120.0° |
| C18 | C17 | H7 | 108.3° | 109.5° |
| C18 | C17 | H8 | 108.4° | 109.5° |
| CL1 | C23 | C18 | 120.6° | 120.0° |
| CL1 | C23 | C22 | 117.5° | 120.0° |
| O5 | C15 | C16 | 120.6° | 120.0° |
| O5 | C15 | N3 | 119.3° | 120.0° |
| C16 | C15 | N3 | 120.0° | 120.0° |
| C15 | C16 | H5 | 108.2° | 109.5° |
| C15 | C16 | H6 | 108.2° | 109.5° |
| C5 | N1 | C4 | 122.8° | 120.0° |
| N1 | C5 | H19 | 108.8° | 109.5° |
| N1 | C5 | H20 | 108.8° | 109.5° |
| C5 | N1 | H25 | 118.6° | 120.0° |
| C23 | C18 | C19 | 116.6° | 120.0° |
| C18 | C23 | C22 | 121.9° | 120.0° |
| C18 | C19 | C20 | 121.7° | 120.0° |
| C18 | C19 | H9 | 119.1° | 120.0° |
| C15 | N3 | C24 | 122.6° | 125.7° |
| C15 | N3 | C14 | 126.0° | 125.7° |
| C23 | C22 | C21 | 119.8° | 120.0° |
| C23 | C22 | H12 | 120.1° | 120.0° |
| C19 | C20 | C21 | 120.0° | 120.1° |
| C20 | C19 | H9 | 119.1° | 120.0° |
| C19 | C20 | H10 | 120.0° | 120.0° |
| N1 | C4 | O4 | 123.8° | 120.0° |
| N1 | C4 | C3 | 115.6° | 120.0° |
| C4 | N1 | H25 | 118.6° | 119.9° |
| C22 | C21 | C20 | 120.0° | 120.0° |
| C22 | C21 | H11 | 120.0° | 119.9° |
| C21 | C22 | H12 | 120.1° | 120.0° |
| C24 | N3 | C14 | 111.5° | 108.7° |
| N3 | C24 | C25 | 103.3° | 104.9° |
| N3 | C24 | H13 | 111.0° | 110.4° |
| N3 | C24 | H14 | 111.0° | 110.4° |
| N3 | C14 | C13 | 114.3° | 109.9° |
| N3 | C14 | C26 | 100.6° | 107.3° |
| N3 | C14 | H4 | 109.6° | 110.0° |
| C21 | C20 | H10 | 120.0° | 119.9° |
| C20 | C21 | H11 | 120.0° | 120.1° |
| O4 | C4 | C3 | 120.7° | 120.0° |
| C4 | C3 | N2 | 117.6° | 120.3° |
| C4 | C3 | C2 | 120.1° | 120.3° |
| C24 | C25 | C26 | 101.7° | 101.5° |
| C25 | C24 | H13 | 111.0° | 110.4° |
| C25 | C24 | H14 | 111.0° | 110.4° |
| C24 | C25 | H15 | 111.4° | 111.0° |
| C24 | C25 | H16 | 111.4° | 111.0° |
| C3 | N2 | C13 | 119.1° | 122.2° |
| N2 | C3 | C2 | 122.3° | 119.4° |
| N2 | C13 | C14 | 118.3° | 118.7° |
| N2 | C13 | N4 | 120.7° | 122.6° |
| C3 | C2 | O2 | 123.9° | 121.1° |
| C3 | C2 | C1 | 119.9° | 117.7° |
| C13 | C14 | C26 | 114.0° | 109.8° |
| C14 | C13 | N4 | 121.0° | 118.7° |
| C13 | C14 | H4 | 109.1° | 109.9° |
| C14 | C26 | C25 | 101.6° | 102.9° |
| C26 | C14 | H4 | 108.8° | 109.9° |
| C14 | C26 | H17 | 111.4° | 110.8° |
| C14 | C26 | H18 | 111.4° | 110.7° |
| C13 | N4 | C1 | 121.5° | 120.1° |
| C13 | N4 | H26 | 119.2° | 119.9° |
| O2 | C2 | C1 | 116.2° | 121.2° |
| C2 | O2 | H27 | 109.5° | 114.0° |
| C2 | C1 | N4 | 116.5° | 118.0° |
| C2 | C1 | O1 | 123.7° | 121.0° |
| N4 | C1 | O1 | 119.8° | 121.0° |
| C1 | N4 | H26 | 119.3° | 120.0° |
| C26 | C25 | H15 | 111.4° | 111.0° |
| C26 | C25 | H16 | 111.4° | 111.0° |
| C25 | C26 | H17 | 111.4° | 110.7° |
| C25 | C26 | H18 | 111.4° | 110.7° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 110.3° |
| H15 | C25 | H16 | 109.5° | 110.9° |
| H17 | C26 | H18 | 109.5° | 110.8° |
| H19 | C5 | H20 | 109.5° | 109.4° |
| H21 | C6 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C9 | C8 | H24 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C9 | C10 | C11 | H2 | 180.0° | 180.0° |
| C10 | C9 | C8 | H23 | 179.8° | 180.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 0.1° | 0.1° |
| C10 | C11 | C12 | H3 | 180.0° | 179.9° |
| C11 | C10 | C9 | H24 | 180.0° | 179.9° |
| C9 | C8 | C7 | H23 | 180.0° | 179.9° |
| C9 | C8 | C7 | C12 | 0.3° | 0.0° |
| C9 | C8 | C7 | O3 | 179.8° | 180.0° |
| C8 | C9 | C10 | H1 | 180.0° | 179.8° |
| C11 | C12 | C7 | C8 | 0.2° | 0.1° |
| C11 | C12 | C7 | H3 | 180.0° | 179.9° |
| C11 | C12 | C7 | O3 | 179.8° | 179.9° |
| C12 | C11 | C10 | H1 | 179.9° | 179.7° |
| C8 | C7 | C12 | O3 | 179.6° | 180.0° |
| C8 | C7 | O3 | C6 | 1.3° | 5.0° |
| C8 | C7 | C12 | H3 | 179.8° | 179.9° |
| C7 | C8 | C9 | H24 | 179.8° | 180.0° |
| C12 | C7 | O3 | C6 | 179.2° | 175.0° |
| C7 | C12 | C11 | H2 | 179.9° | 180.0° |
| C12 | C7 | C8 | H23 | 179.7° | 179.9° |
| C7 | O3 | C6 | C5 | 167.8° | 175.6° |
| O3 | C7 | C12 | H3 | 0.3° | 0.1° |
| C7 | O3 | C6 | H21 | 72.4° | 64.4° |
| C7 | O3 | C6 | H22 | 48.1° | 55.6° |
| O3 | C7 | C8 | H23 | 0.2° | 0.1° |
| O3 | C6 | C5 | H21 | 119.8° | 120.0° |
| O3 | C6 | C5 | H22 | 119.8° | 120.0° |
| O3 | C6 | C5 | N1 | 59.5° | 63.9° |
| O3 | C6 | C5 | H19 | 61.0° | 176.0° |
| O3 | C6 | C5 | H20 | 179.9° | 56.1° |
| O3 | C6 | H21 | H22 | 120.6° | 120.0° |
| C6 | C5 | N1 | H19 | 120.4° | 120.1° |
| C6 | C5 | N1 | H20 | 120.4° | 120.0° |
| C6 | C5 | N1 | C4 | 114.2° | 175.0° |
| C6 | C5 | H19 | H20 | 118.7° | 120.0° |
| C5 | C6 | H21 | H22 | 120.6° | 119.9° |
| C6 | C5 | N1 | H25 | 65.8° | 5.0° |
| C16 | C17 | C18 | H7 | 120.6° | 120.0° |
| C16 | C17 | C18 | H8 | 120.7° | 120.0° |
| C17 | C16 | C15 | O5 | 79.6° | 5.2° |
| C17 | C16 | C15 | H5 | 120.7° | 120.0° |
| C17 | C16 | C15 | H6 | 120.7° | 120.0° |
| C16 | C17 | C18 | C23 | 63.5° | 85.4° |
| C16 | C17 | C18 | C19 | 117.0° | 94.3° |
| C17 | C16 | C15 | N3 | 99.5° | 174.9° |
| C17 | C16 | H5 | H6 | 117.8° | 120.0° |
| C16 | C17 | H7 | H8 | 118.0° | 120.0° |
| C17 | C18 | C23 | CL1 | 0.4° | 0.0° |
| C18 | C17 | C16 | C15 | 105.4° | 175.1° |
| C17 | C18 | C23 | C19 | 179.5° | 179.7° |
| C17 | C18 | C23 | C22 | 179.7° | 179.7° |
| C17 | C18 | C19 | C20 | 179.7° | 180.0° |
| C18 | C17 | C16 | H5 | 133.9° | 55.1° |
| C18 | C17 | C16 | H6 | 15.3° | 64.9° |
| C18 | C17 | H7 | H8 | 118.0° | 120.0° |
| C17 | C18 | C19 | H9 | 0.3° | 0.0° |
| CL1 | C23 | C18 | C22 | 179.9° | 179.7° |
| CL1 | C23 | C18 | C19 | 179.9° | 179.8° |
| CL1 | C23 | C22 | C21 | 179.9° | 179.7° |
| CL1 | C23 | C22 | H12 | 0.1° | 0.0° |
| O5 | C15 | C16 | N3 | 179.0° | 179.9° |
| O5 | C15 | N3 | C24 | 26.4° | 174.8° |
| O5 | C15 | N3 | C14 | 152.5° | 5.1° |
| O5 | C15 | C16 | H5 | 41.1° | 125.2° |
| O5 | C15 | C16 | H6 | 159.7° | 114.8° |
| C16 | C15 | N3 | C24 | 154.5° | 5.3° |
| C16 | C15 | N3 | C14 | 26.6° | 174.8° |
| C15 | C16 | H5 | H6 | 117.7° | 120.0° |
| C15 | C16 | C17 | H7 | 133.9° | 64.9° |
| C15 | C16 | C17 | H8 | 15.2° | 55.1° |
| C5 | N1 | C4 | H25 | 180.0° | 179.9° |
| C5 | N1 | C4 | O4 | 2.9° | 5.0° |
| C5 | N1 | C4 | C3 | 176.1° | 175.1° |
| N1 | C5 | H19 | H20 | 118.7° | 120.0° |
| N1 | C5 | C6 | H21 | 179.2° | 176.1° |
| N1 | C5 | C6 | H22 | 60.3° | 56.1° |
| C23 | C18 | C19 | C20 | 0.2° | 0.2° |
| C18 | C23 | C22 | C21 | 0.2° | 0.5° |
| C23 | C18 | C17 | H7 | 57.1° | 34.5° |
| C23 | C18 | C17 | H8 | 175.8° | 154.6° |
| C23 | C18 | C19 | H9 | 179.9° | 179.8° |
| C18 | C23 | C22 | H12 | 179.8° | 179.7° |
| C19 | C18 | C23 | C22 | 0.2° | 0.5° |
| C18 | C19 | C20 | H9 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | C17 | H7 | 122.4° | 145.7° |
| C19 | C18 | C17 | H8 | 3.7° | 25.7° |
| C18 | C19 | C20 | H10 | 179.9° | 180.0° |
| C15 | N3 | C24 | C14 | 179.0° | 179.9° |
| C15 | N3 | C24 | C25 | 171.9° | 155.9° |
| C15 | N3 | C14 | C13 | 77.6° | 61.6° |
| C15 | N3 | C14 | C26 | 159.8° | 179.0° |
| C15 | N3 | C14 | H4 | 45.3° | 59.5° |
| N3 | C15 | C16 | H5 | 139.8° | 54.9° |
| N3 | C15 | C16 | H6 | 21.3° | 65.1° |
| C15 | N3 | C24 | H13 | 69.1° | 85.2° |
| C15 | N3 | C24 | H14 | 52.8° | 37.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.8° |
| C23 | C22 | C21 | C20 | 0.1° | 0.3° |
| C23 | C22 | C21 | H11 | 179.9° | 179.8° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H10 | 180.0° | 179.9° |
| C19 | C20 | C21 | H11 | 180.0° | 179.9° |
| N1 | C4 | O4 | C3 | 178.9° | 180.0° |
| N1 | C4 | C3 | N2 | 6.5° | 5.3° |
| N1 | C4 | C3 | C2 | 173.8° | 174.7° |
| C4 | N1 | C5 | H19 | 125.4° | 64.9° |
| C4 | N1 | C5 | H20 | 6.2° | 55.1° |
| C22 | C21 | C20 | H11 | 180.0° | 179.9° |
| C22 | C21 | C20 | H10 | 180.0° | 180.0° |
| N3 | C24 | C25 | H13 | 119.0° | 118.9° |
| N3 | C24 | C25 | H14 | 119.0° | 118.9° |
| C24 | N3 | C14 | C13 | 103.4° | 118.3° |
| C24 | N3 | C14 | C26 | 19.2° | 1.0° |
| N3 | C24 | C25 | C26 | 33.9° | 37.0° |
| C24 | N3 | C14 | H4 | 133.7° | 120.6° |
| N3 | C24 | H13 | H14 | 122.9° | 122.3° |
| N3 | C24 | C25 | H15 | 152.7° | 81.0° |
| N3 | C24 | C25 | H16 | 84.8° | 155.1° |
| C14 | N3 | C24 | C25 | 9.1° | 24.2° |
| N3 | C14 | C13 | N2 | 3.9° | 117.5° |
| N3 | C14 | C13 | C26 | 114.9° | 117.8° |
| N3 | C14 | C13 | H4 | 123.2° | 121.2° |
| N3 | C14 | C26 | H4 | 115.1° | 119.6° |
| N3 | C14 | C13 | N4 | 176.4° | 61.9° |
| N3 | C14 | C26 | C25 | 39.6° | 22.2° |
| C14 | N3 | C24 | H13 | 109.9° | 94.7° |
| C14 | N3 | C24 | H14 | 128.1° | 143.0° |
| N3 | C14 | C26 | H17 | 158.3° | 96.2° |
| N3 | C14 | C26 | H18 | 79.1° | 140.5° |
| C21 | C20 | C19 | H9 | 179.9° | 180.0° |
| C20 | C21 | C22 | H12 | 179.9° | 180.0° |
| O4 | C4 | C3 | N2 | 174.5° | 174.7° |
| O4 | C4 | C3 | C2 | 5.1° | 5.3° |
| O4 | C4 | N1 | H25 | 177.1° | 175.1° |
| C4 | C3 | N2 | C2 | 179.7° | 180.0° |
| C4 | C3 | N2 | C13 | 179.6° | 180.0° |
| C4 | C3 | C2 | O2 | 0.1° | 0.0° |
| C4 | C3 | C2 | C1 | 179.9° | 180.0° |
| C3 | C4 | N1 | H25 | 3.9° | 4.9° |
| C24 | C25 | C26 | C14 | 46.2° | 35.5° |
| C24 | C25 | C26 | H15 | 118.8° | 118.1° |
| C24 | C25 | C26 | H16 | 118.7° | 118.1° |
| C25 | C24 | H13 | H14 | 122.9° | 122.2° |
| C24 | C25 | H15 | H16 | 123.6° | 123.9° |
| C24 | C25 | C26 | H17 | 164.9° | 82.9° |
| C24 | C25 | C26 | H18 | 72.5° | 153.9° |
| C3 | N2 | C13 | C14 | 179.6° | 179.7° |
| C3 | N2 | C13 | N4 | 0.7° | 0.3° |
| N2 | C3 | C2 | O2 | 179.7° | 180.0° |
| N2 | C3 | C2 | C1 | 0.5° | 0.0° |
| C13 | N2 | C3 | C2 | 0.8° | 0.0° |
| N2 | C13 | C14 | N4 | 179.7° | 179.4° |
| N2 | C13 | C14 | C26 | 111.0° | 124.7° |
| N2 | C13 | N4 | C1 | 0.3° | 0.6° |
| N2 | C13 | C14 | H4 | 127.1° | 3.7° |
| N2 | C13 | N4 | H26 | 179.7° | 180.0° |
| C3 | C2 | O2 | C1 | 179.8° | 180.0° |
| C3 | C2 | C1 | N4 | 0.1° | 0.3° |
| C3 | C2 | C1 | O1 | 179.9° | 180.0° |
| C3 | C2 | O2 | H27 | 2.2° | 180.0° |
| C13 | C14 | C26 | H4 | 122.1° | 121.0° |
| C14 | C13 | N4 | C1 | 180.0° | 180.0° |
| C13 | C14 | C26 | C25 | 83.2° | 141.6° |
| C13 | C14 | C26 | H17 | 35.5° | 23.2° |
| C13 | C14 | C26 | H18 | 158.1° | 100.1° |
| C14 | C13 | N4 | H26 | 0.0° | 0.6° |
| C26 | C14 | C13 | N4 | 68.7° | 55.9° |
| C14 | C26 | C25 | H17 | 118.7° | 118.4° |
| C14 | C26 | C25 | H18 | 118.7° | 118.3° |
| C14 | C26 | C25 | H15 | 164.9° | 82.5° |
| C14 | C26 | C25 | H16 | 72.5° | 153.6° |
| C14 | C26 | H17 | H18 | 123.7° | 123.3° |
| C13 | N4 | C1 | C2 | 0.0° | 0.6° |
| C13 | N4 | C1 | H26 | 180.0° | 179.4° |
| C13 | N4 | C1 | O1 | 180.0° | 179.7° |
| N4 | C13 | C14 | H4 | 53.2° | 176.9° |
| O2 | C2 | C1 | N4 | 179.9° | 179.8° |
| O2 | C2 | C1 | O1 | 0.1° | 0.1° |
| C2 | C1 | N4 | O1 | 180.0° | 179.7° |
| C2 | C1 | N4 | H26 | 180.0° | 180.0° |
| C1 | C2 | O2 | H27 | 178.0° | 0.1° |
| C25 | C26 | C14 | H4 | 154.8° | 97.4° |
| C26 | C25 | C24 | H13 | 85.1° | 81.8° |
| C26 | C25 | C24 | H14 | 153.0° | 156.0° |
| C26 | C25 | H15 | H16 | 123.6° | 123.9° |
| C25 | C26 | H17 | H18 | 123.6° | 123.2° |
| O1 | C1 | N4 | H26 | 0.0° | 0.3° |
| H1 | C10 | C11 | H2 | 0.1° | 0.2° |
| H1 | C10 | C9 | H24 | 0.0° | 0.3° |
| H2 | C11 | C12 | H3 | 0.0° | 0.1° |
| H4 | C14 | C26 | H17 | 86.5° | 144.2° |
| H4 | C14 | C26 | H18 | 36.1° | 20.9° |
| H5 | C16 | C17 | H7 | 13.2° | 175.1° |
| H5 | C16 | C17 | H8 | 105.5° | 64.9° |
| H6 | C16 | C17 | H7 | 105.3° | 55.1° |
| H6 | C16 | C17 | H8 | 135.9° | 175.1° |
| H9 | C19 | C20 | H10 | 0.0° | 0.0° |
| H10 | C20 | C21 | H11 | 0.0° | 0.0° |
| H11 | C21 | C22 | H12 | 0.1° | 0.0° |
| H13 | C24 | C25 | H15 | 33.7° | 160.1° |
| H13 | C24 | C25 | H16 | 156.2° | 36.2° |
| H14 | C24 | C25 | H15 | 88.3° | 37.9° |
| H14 | C24 | C25 | H16 | 34.2° | 86.0° |
| H15 | C25 | C26 | H17 | 76.4° | 159.0° |
| H15 | C25 | C26 | H18 | 46.2° | 35.8° |
| H16 | C25 | C26 | H17 | 46.2° | 35.1° |
| H16 | C25 | C26 | H18 | 168.8° | 88.1° |
| H19 | C5 | C6 | H21 | 58.8° | 56.0° |
| H19 | C5 | C6 | H22 | 179.2° | 64.0° |
| H19 | C5 | N1 | H25 | 54.6° | 115.0° |
| H20 | C5 | C6 | H21 | 60.3° | 63.9° |
| H20 | C5 | C6 | H22 | 60.1° | 176.1° |
| H20 | C5 | N1 | H25 | 173.8° | 125.0° |
| H23 | C8 | C9 | H24 | 0.2° | 0.1° |
