UIO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O5 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| O5 | C17 | sing | 1.43Å | 1.40Å | |
| C20 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N5 | sing | 1.47Å | 1.49Å | |
| N6 | C15 | sing | 1.33Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C21 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | N5 | sing | 1.38Å | 1.48Å | |
| C15 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C16 | sing | 1.47Å | 1.48Å | |
| C23 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.55Å | |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.39Å | 1.47Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.44Å | |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | N3 | sing | 1.48Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| N3 | O3 | sing | 1.22Å | 1.44Å | |
| N3 | O4 | doub | 1.22Å | 1.41Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| O6 | C25 | sing | 1.43Å | 1.49Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | N1 | sing | 1.47Å | 1.21Å | |
| C25 | C26 | sing | 1.53Å | 1.45Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C26 | O7 | sing | 1.43Å | 1.50Å | |
| C26 | C1 | sing | 1.53Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| N2 | H31 | sing | 0.97Å | 1.00Å | |
| O1 | H32 | sing | 0.97Å | 0.95Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å | |
| O6 | H34 | sing | 0.97Å | 0.95Å | |
| O7 | H35 | sing | 0.97Å | 0.95Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C18 | C19 | 118.1° | 109.3° |
| C18 | O5 | C17 | 115.8° | 113.7° |
| O5 | C18 | H22 | 107.3° | 109.5° |
| O5 | C18 | H37 | 107.3° | 109.5° |
| C18 | C19 | N5 | 115.8° | 109.3° |
| C19 | C18 | H22 | 107.3° | 109.5° |
| C18 | C19 | H23 | 107.9° | 109.5° |
| C19 | C18 | H37 | 107.2° | 109.5° |
| C18 | C19 | H38 | 107.8° | 109.5° |
| O5 | C17 | C16 | 115.5° | 109.3° |
| O5 | C17 | H12 | 108.0° | 109.5° |
| O5 | C17 | H1 | 107.9° | 109.5° |
| N6 | C20 | C21 | 119.9° | 119.3° |
| C20 | N6 | C15 | 122.3° | 121.0° |
| N6 | C20 | H13 | 120.0° | 120.4° |
| C20 | C21 | C14 | 117.8° | 118.4° |
| C21 | C20 | H13 | 120.0° | 120.3° |
| C20 | C21 | H14 | 121.1° | 120.8° |
| C19 | N5 | C15 | 125.3° | 111.0° |
| C19 | N5 | C16 | 109.0° | 110.8° |
| N5 | C19 | H23 | 107.9° | 109.5° |
| N5 | C19 | H38 | 107.9° | 109.5° |
| N6 | C15 | N5 | 119.1° | 119.1° |
| N6 | C15 | N4 | 118.9° | 121.7° |
| C17 | C16 | N5 | 115.5° | 109.2° |
| C16 | C17 | H12 | 108.0° | 109.5° |
| C17 | C16 | H21 | 107.9° | 109.5° |
| C16 | C17 | H1 | 108.0° | 109.5° |
| C17 | C16 | H36 | 107.9° | 109.4° |
| C21 | C14 | N4 | 118.3° | 119.0° |
| C21 | C14 | C13 | 121.1° | 120.5° |
| C14 | C21 | H14 | 121.1° | 120.8° |
| C23 | C22 | C13 | 121.1° | 120.0° |
| C22 | C23 | C10 | 119.9° | 120.0° |
| C23 | C22 | H15 | 119.4° | 120.0° |
| C22 | C23 | H25 | 120.0° | 120.0° |
| C22 | C13 | C14 | 121.7° | 120.1° |
| C22 | C13 | C12 | 118.3° | 119.9° |
| C13 | C22 | H15 | 119.4° | 120.0° |
| N5 | C15 | N4 | 122.0° | 119.2° |
| C15 | N5 | C16 | 124.8° | 111.0° |
| C15 | N4 | C14 | 122.8° | 120.6° |
| N5 | C16 | H21 | 107.9° | 109.5° |
| N5 | C16 | H36 | 107.9° | 109.6° |
| C23 | C10 | N2 | 123.7° | 119.9° |
| C23 | C10 | C11 | 119.0° | 120.1° |
| C10 | C23 | H25 | 120.1° | 120.0° |
| N4 | C14 | C13 | 120.5° | 120.6° |
| C14 | C13 | C12 | 119.9° | 120.0° |
| C13 | C12 | C11 | 121.0° | 120.0° |
| C13 | C12 | H20 | 119.5° | 120.0° |
| N2 | C10 | C11 | 117.3° | 119.9° |
| C10 | N2 | C9 | 127.7° | 120.0° |
| C10 | N2 | H31 | 104.7° | 120.0° |
| C10 | C11 | C12 | 120.7° | 120.0° |
| C10 | C11 | N3 | 120.4° | 120.0° |
| N2 | C9 | C8 | 108.6° | 109.5° |
| N2 | C9 | H29 | 109.7° | 109.4° |
| N2 | C9 | H30 | 109.7° | 109.5° |
| C9 | N2 | H31 | 104.7° | 120.0° |
| C12 | C11 | N3 | 118.9° | 120.0° |
| C11 | C12 | H20 | 119.5° | 120.0° |
| C11 | N3 | O3 | 123.1° | 120.0° |
| C11 | N3 | O4 | 116.3° | 120.0° |
| C9 | C8 | C7 | 111.6° | 109.4° |
| C9 | C8 | H10 | 108.9° | 109.4° |
| C9 | C8 | H11 | 109.0° | 109.5° |
| C8 | C9 | H29 | 109.7° | 109.5° |
| C8 | C9 | H30 | 109.7° | 109.5° |
| O3 | N3 | O4 | 120.6° | 120.0° |
| C8 | C7 | C6 | 110.6° | 109.5° |
| C8 | C7 | H8 | 109.2° | 109.5° |
| C8 | C7 | H9 | 109.2° | 109.5° |
| C7 | C8 | H10 | 109.0° | 109.5° |
| C7 | C8 | H11 | 108.9° | 109.5° |
| C7 | C6 | C5 | 111.8° | 109.5° |
| C7 | C6 | H6 | 108.9° | 109.5° |
| C7 | C6 | H7 | 108.9° | 109.5° |
| C6 | C7 | H8 | 109.2° | 109.4° |
| C6 | C7 | H9 | 109.2° | 109.5° |
| C6 | C5 | C4 | 114.7° | 109.5° |
| C6 | C5 | H4 | 108.1° | 109.5° |
| C6 | C5 | H5 | 108.2° | 109.5° |
| C5 | C6 | H6 | 108.9° | 109.4° |
| C5 | C6 | H7 | 108.9° | 109.5° |
| C5 | C4 | N1 | 113.0° | 109.5° |
| C5 | C4 | H2 | 108.6° | 109.4° |
| C5 | C4 | H3 | 108.6° | 109.5° |
| C4 | C5 | H4 | 108.2° | 109.4° |
| C4 | C5 | H5 | 108.1° | 109.5° |
| O6 | C25 | C24 | 106.4° | 109.5° |
| O6 | C25 | C26 | 114.9° | 109.5° |
| O6 | C25 | H26 | 108.5° | 109.6° |
| C25 | O6 | H34 | 109.5° | 114.0° |
| C25 | C24 | N1 | 108.0° | 109.5° |
| C24 | C25 | C26 | 109.6° | 109.2° |
| C25 | C24 | H16 | 109.9° | 109.4° |
| C25 | C24 | H17 | 109.8° | 109.5° |
| C24 | C25 | H26 | 108.2° | 109.5° |
| C24 | N1 | C4 | 110.3° | 111.0° |
| C24 | N1 | C2 | 112.1° | 111.2° |
| N1 | C24 | H16 | 109.8° | 109.5° |
| N1 | C24 | H17 | 109.9° | 109.4° |
| C4 | N1 | C2 | 115.1° | 111.0° |
| N1 | C4 | H2 | 108.6° | 109.5° |
| N1 | C4 | H3 | 108.6° | 109.5° |
| C25 | C26 | O7 | 110.7° | 109.5° |
| C25 | C26 | C1 | 111.0° | 109.1° |
| C25 | C26 | H18 | 111.2° | 109.6° |
| C26 | C25 | H26 | 109.0° | 109.5° |
| N1 | C2 | C1 | 107.8° | 109.6° |
| N1 | C2 | C3 | 114.5° | 109.4° |
| N1 | C2 | H24 | 107.8° | 109.4° |
| O7 | C26 | C1 | 102.1° | 109.5° |
| O7 | C26 | H18 | 110.5° | 109.6° |
| C26 | O7 | H35 | 109.5° | 114.0° |
| C26 | C1 | C2 | 112.3° | 109.3° |
| C26 | C1 | O1 | 108.7° | 109.5° |
| C1 | C26 | H18 | 111.0° | 109.5° |
| C26 | C1 | H19 | 108.9° | 109.5° |
| C1 | C2 | C3 | 111.6° | 109.5° |
| C2 | C1 | O1 | 109.9° | 109.5° |
| C2 | C1 | H19 | 107.4° | 109.5° |
| C1 | C2 | H24 | 106.8° | 109.5° |
| C2 | C3 | O2 | 111.9° | 109.5° |
| C3 | C2 | H24 | 107.9° | 109.5° |
| C2 | C3 | H27 | 108.8° | 109.5° |
| C2 | C3 | H28 | 108.9° | 109.5° |
| O1 | C1 | H19 | 109.5° | 109.5° |
| C1 | O1 | H32 | 109.5° | 113.9° |
| O2 | C3 | H27 | 108.8° | 109.5° |
| O2 | C3 | H28 | 108.8° | 109.4° |
| C3 | O2 | H33 | 109.5° | 114.0° |
| H2 | C4 | H3 | 109.4° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C17 | H1 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.4° | 109.5° |
| H21 | C16 | H36 | 109.5° | 109.5° |
| H22 | C18 | H37 | 109.5° | 109.5° |
| H23 | C19 | H38 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C18 | C19 | H22 | 121.2° | 120.0° |
| O5 | C18 | C19 | H37 | 121.3° | 119.9° |
| O5 | C18 | C19 | N5 | 38.8° | 56.9° |
| C18 | O5 | C17 | C16 | 40.8° | 58.6° |
| C18 | O5 | C17 | H12 | 161.7° | 178.6° |
| O5 | C18 | H22 | H37 | 116.1° | 120.1° |
| O5 | C18 | C19 | H23 | 159.7° | 63.1° |
| C18 | O5 | C17 | H1 | 80.1° | 61.3° |
| O5 | C18 | C19 | H38 | 82.2° | 176.8° |
| C19 | C18 | O5 | C17 | 36.6° | 58.7° |
| C18 | C19 | N5 | H23 | 120.9° | 119.9° |
| C18 | C19 | N5 | H38 | 120.9° | 119.9° |
| C18 | C19 | N5 | C15 | 126.6° | 177.6° |
| C18 | C19 | N5 | C16 | 42.8° | 58.6° |
| C19 | C18 | H22 | H37 | 116.0° | 120.1° |
| C18 | C19 | H23 | H38 | 117.1° | 120.1° |
| O5 | C17 | C16 | H12 | 120.9° | 120.0° |
| O5 | C17 | C16 | H1 | 120.8° | 120.0° |
| O5 | C17 | C16 | N5 | 48.9° | 56.8° |
| O5 | C17 | H12 | H1 | 117.2° | 120.1° |
| O5 | C17 | C16 | H21 | 72.0° | 176.8° |
| C17 | O5 | C18 | H22 | 84.7° | 61.3° |
| O5 | C17 | C16 | H36 | 169.8° | 63.1° |
| C17 | O5 | C18 | H37 | 157.8° | 178.6° |
| N6 | C20 | C21 | H13 | 180.0° | 180.0° |
| N6 | C20 | C21 | C14 | 1.6° | 0.2° |
| C20 | N6 | C15 | N5 | 179.9° | 180.0° |
| C20 | N6 | C15 | N4 | 0.0° | 0.3° |
| N6 | C20 | C21 | H14 | 178.4° | 180.0° |
| C21 | C20 | N6 | C15 | 0.3° | 0.0° |
| C20 | C21 | C14 | H14 | 180.0° | 179.8° |
| C20 | C21 | C14 | N4 | 2.7° | 0.2° |
| C20 | C21 | C14 | C13 | 178.0° | 180.0° |
| C19 | N5 | C15 | N6 | 17.8° | 0.3° |
| C19 | N5 | C16 | C17 | 48.1° | 58.6° |
| C19 | N5 | C15 | C16 | 167.8° | 123.6° |
| C19 | N5 | C15 | N4 | 162.3° | 180.0° |
| C19 | N5 | C16 | H21 | 72.8° | 178.6° |
| N5 | C19 | C18 | H22 | 82.5° | 63.1° |
| N5 | C19 | H23 | H38 | 117.1° | 120.1° |
| C19 | N5 | C16 | H36 | 168.9° | 61.3° |
| N5 | C19 | C18 | H37 | 160.0° | 176.8° |
| N6 | C15 | N5 | N4 | 179.9° | 179.7° |
| N6 | C15 | N5 | C16 | 174.3° | 123.9° |
| N6 | C15 | N4 | C14 | 1.1° | 0.3° |
| C15 | N6 | C20 | H13 | 179.7° | 180.0° |
| C17 | C16 | N5 | C15 | 121.5° | 177.6° |
| C17 | C16 | N5 | H21 | 120.9° | 120.0° |
| C17 | C16 | N5 | H36 | 120.9° | 119.9° |
| C16 | C17 | H12 | H1 | 117.3° | 120.1° |
| C17 | C16 | H21 | H36 | 117.3° | 120.0° |
| C21 | C14 | C13 | C22 | 19.7° | 0.3° |
| C21 | C14 | N4 | C15 | 2.5° | 0.0° |
| C21 | C14 | N4 | C13 | 175.4° | 179.7° |
| C21 | C14 | C13 | C12 | 163.8° | 180.0° |
| C14 | C21 | C20 | H13 | 178.4° | 179.7° |
| C23 | C22 | C13 | H15 | 180.0° | 179.9° |
| C22 | C23 | C10 | H25 | 180.0° | 180.0° |
| C23 | C22 | C13 | C14 | 177.6° | 180.0° |
| C23 | C22 | C13 | C12 | 1.1° | 0.2° |
| C22 | C23 | C10 | N2 | 178.3° | 180.0° |
| C22 | C23 | C10 | C11 | 0.7° | 0.3° |
| C13 | C22 | C23 | C10 | 0.2° | 0.0° |
| C22 | C13 | C14 | N4 | 155.6° | 180.0° |
| C22 | C13 | C14 | C12 | 176.5° | 179.7° |
| C22 | C13 | C12 | C11 | 1.1° | 0.3° |
| C22 | C13 | C12 | H20 | 178.9° | 179.8° |
| C13 | C22 | C23 | H25 | 179.8° | 180.0° |
| N5 | C15 | N4 | C14 | 178.8° | 180.0° |
| C15 | N5 | C16 | H21 | 117.7° | 57.7° |
| C15 | N5 | C19 | H23 | 5.7° | 62.4° |
| C15 | N5 | C16 | H36 | 0.6° | 62.5° |
| C15 | N5 | C19 | H38 | 112.5° | 57.7° |
| N4 | C15 | N5 | C16 | 5.6° | 56.4° |
| C15 | N4 | C14 | C13 | 177.9° | 179.7° |
| N5 | C16 | C17 | H12 | 169.8° | 176.8° |
| N5 | C16 | H21 | H36 | 117.2° | 120.2° |
| C16 | N5 | C19 | H23 | 163.8° | 61.3° |
| N5 | C16 | C17 | H1 | 71.9° | 63.2° |
| C16 | N5 | C19 | H38 | 78.1° | 178.6° |
| C23 | C10 | N2 | C11 | 177.7° | 179.7° |
| C23 | C10 | N2 | C9 | 49.0° | 6.5° |
| C23 | C10 | C11 | C12 | 0.7° | 0.3° |
| C23 | C10 | C11 | N3 | 179.6° | 179.7° |
| C10 | C23 | C22 | H15 | 179.8° | 180.0° |
| C23 | C10 | N2 | H31 | 171.5° | 173.4° |
| N4 | C14 | C13 | C12 | 20.9° | 0.3° |
| N4 | C14 | C21 | H14 | 177.3° | 180.0° |
| C14 | C13 | C12 | C11 | 177.7° | 180.0° |
| C13 | C14 | C21 | H14 | 2.0° | 0.3° |
| C14 | C13 | C22 | H15 | 2.4° | 0.0° |
| C14 | C13 | C12 | H20 | 2.3° | 0.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C13 | C12 | C11 | N3 | 179.5° | 180.0° |
| C12 | C13 | C22 | H15 | 178.9° | 179.7° |
| C10 | N2 | C9 | H31 | 122.4° | 179.9° |
| N2 | C10 | C11 | C12 | 178.5° | 180.0° |
| N2 | C10 | C11 | N3 | 1.8° | 0.1° |
| C10 | N2 | C9 | C8 | 109.2° | 180.0° |
| N2 | C10 | C23 | H25 | 1.7° | 0.0° |
| C10 | N2 | C9 | H29 | 131.0° | 60.0° |
| C10 | N2 | C9 | H30 | 10.7° | 59.9° |
| C11 | C10 | N2 | C9 | 133.3° | 173.2° |
| C10 | C11 | C12 | N3 | 179.7° | 180.0° |
| C10 | C11 | N3 | O3 | 4.4° | 142.7° |
| C10 | C11 | N3 | O4 | 175.5° | 37.4° |
| C10 | C11 | C12 | H20 | 179.8° | 180.0° |
| C11 | C10 | C23 | H25 | 179.3° | 179.7° |
| C11 | C10 | N2 | H31 | 10.9° | 6.9° |
| N2 | C9 | C8 | H29 | 119.9° | 119.9° |
| N2 | C9 | C8 | H30 | 119.9° | 120.0° |
| N2 | C9 | C8 | C7 | 125.2° | 180.0° |
| N2 | C9 | C8 | H10 | 4.9° | 60.0° |
| N2 | C9 | C8 | H11 | 114.5° | 60.0° |
| N2 | C9 | H29 | H30 | 120.4° | 120.0° |
| C12 | C11 | N3 | O3 | 175.9° | 37.3° |
| C12 | C11 | N3 | O4 | 4.2° | 142.7° |
| C11 | N3 | O3 | O4 | 180.0° | 180.0° |
| N3 | C11 | C12 | H20 | 0.5° | 0.0° |
| C9 | C8 | C7 | H10 | 120.3° | 119.9° |
| C9 | C8 | C7 | H11 | 120.3° | 120.1° |
| C9 | C8 | C7 | C6 | 146.5° | 180.0° |
| C9 | C8 | C7 | H8 | 93.3° | 60.1° |
| C9 | C8 | C7 | H9 | 26.4° | 59.9° |
| C9 | C8 | H10 | H11 | 119.1° | 120.1° |
| C8 | C9 | H29 | H30 | 120.4° | 120.1° |
| C8 | C9 | N2 | H31 | 13.2° | 0.1° |
| C8 | C7 | C6 | H8 | 120.2° | 120.0° |
| C8 | C7 | C6 | H9 | 120.2° | 120.1° |
| C8 | C7 | C6 | C5 | 97.5° | 180.0° |
| C8 | C7 | C6 | H6 | 142.1° | 60.1° |
| C8 | C7 | C6 | H7 | 22.8° | 59.9° |
| C8 | C7 | H8 | H9 | 119.5° | 120.0° |
| C7 | C8 | H10 | H11 | 119.0° | 120.0° |
| C7 | C8 | C9 | H29 | 114.9° | 60.1° |
| C7 | C8 | C9 | H30 | 5.3° | 59.9° |
| C7 | C6 | C5 | H6 | 120.4° | 120.0° |
| C7 | C6 | C5 | H7 | 120.4° | 120.1° |
| C7 | C6 | C5 | C4 | 112.1° | 180.0° |
| C7 | C6 | C5 | H4 | 127.1° | 60.1° |
| C7 | C6 | C5 | H5 | 8.6° | 60.0° |
| C7 | C6 | H6 | H7 | 118.9° | 120.1° |
| C6 | C7 | H8 | H9 | 119.5° | 120.0° |
| C6 | C7 | C8 | H10 | 26.2° | 60.1° |
| C6 | C7 | C8 | H11 | 93.2° | 59.9° |
| C6 | C5 | C4 | H4 | 120.8° | 120.0° |
| C6 | C5 | C4 | H5 | 120.8° | 120.1° |
| C6 | C5 | C4 | N1 | 156.7° | 180.0° |
| C6 | C5 | C4 | H2 | 36.1° | 60.0° |
| C6 | C5 | C4 | H3 | 82.8° | 59.9° |
| C6 | C5 | H4 | H5 | 117.6° | 120.1° |
| C5 | C6 | H6 | H7 | 118.9° | 120.0° |
| C5 | C6 | C7 | H8 | 22.6° | 60.0° |
| C5 | C6 | C7 | H9 | 142.3° | 59.9° |
| C5 | C4 | N1 | C24 | 75.7° | 64.7° |
| C5 | C4 | N1 | H2 | 120.5° | 120.0° |
| C5 | C4 | N1 | H3 | 120.6° | 120.0° |
| C5 | C4 | N1 | C2 | 52.4° | 171.1° |
| C5 | C4 | H2 | H3 | 118.4° | 119.9° |
| C4 | C5 | H4 | H5 | 117.6° | 119.9° |
| C4 | C5 | C6 | H6 | 8.3° | 60.0° |
| C4 | C5 | C6 | H7 | 127.6° | 59.9° |
| O6 | C25 | C24 | C26 | 124.8° | 119.9° |
| O6 | C25 | C24 | H26 | 116.5° | 120.1° |
| O6 | C25 | C24 | N1 | 171.6° | 179.1° |
| O6 | C25 | C26 | H26 | 122.1° | 120.2° |
| O6 | C25 | C26 | O7 | 66.6° | 62.6° |
| O6 | C25 | C26 | C1 | 179.3° | 177.6° |
| O6 | C25 | C24 | H16 | 51.8° | 59.0° |
| O6 | C25 | C24 | H17 | 68.6° | 60.9° |
| O6 | C25 | C26 | H18 | 56.6° | 57.7° |
| C25 | C24 | N1 | H16 | 119.8° | 120.0° |
| C25 | C24 | N1 | H17 | 119.8° | 120.0° |
| C25 | C24 | N1 | C4 | 168.0° | 174.2° |
| C24 | C25 | C26 | H26 | 118.3° | 119.9° |
| C25 | C24 | N1 | C2 | 62.3° | 61.8° |
| C24 | C25 | C26 | O7 | 173.7° | 177.5° |
| C24 | C25 | C26 | C1 | 61.0° | 57.7° |
| C25 | C24 | H16 | H17 | 120.7° | 120.0° |
| C24 | C25 | C26 | H18 | 63.1° | 62.2° |
| C24 | C25 | O6 | H34 | 180.0° | 60.0° |
| C24 | N1 | C4 | C2 | 128.0° | 124.2° |
| N1 | C24 | C25 | C26 | 63.6° | 59.2° |
| C24 | N1 | C2 | C1 | 55.3° | 61.7° |
| C24 | N1 | C2 | C3 | 179.8° | 178.2° |
| C24 | N1 | C4 | H2 | 44.9° | 55.3° |
| C24 | N1 | C4 | H3 | 163.8° | 175.3° |
| N1 | C24 | H16 | H17 | 120.7° | 120.0° |
| C24 | N1 | C2 | H24 | 59.7° | 58.3° |
| N1 | C24 | C25 | H26 | 55.2° | 60.7° |
| C4 | N1 | C2 | C1 | 177.6° | 174.2° |
| C4 | N1 | C2 | C3 | 52.6° | 54.1° |
| N1 | C4 | H2 | H3 | 118.4° | 120.0° |
| N1 | C4 | C5 | H4 | 82.6° | 60.0° |
| N1 | C4 | C5 | H5 | 35.9° | 59.9° |
| C4 | N1 | C24 | H16 | 48.2° | 65.8° |
| C4 | N1 | C24 | H17 | 72.2° | 54.2° |
| C4 | N1 | C2 | H24 | 67.5° | 65.8° |
| C25 | C26 | O7 | C1 | 118.2° | 119.6° |
| C25 | C26 | O7 | H18 | 123.6° | 120.2° |
| C25 | C26 | C1 | H18 | 124.2° | 120.0° |
| C25 | C26 | C1 | C2 | 55.3° | 57.7° |
| C25 | C26 | C1 | O1 | 177.2° | 177.6° |
| C26 | C25 | C24 | H16 | 176.6° | 60.8° |
| C26 | C25 | C24 | H17 | 56.2° | 179.2° |
| C25 | C26 | C1 | H19 | 63.5° | 62.3° |
| C26 | C25 | O6 | H34 | 58.5° | 179.8° |
| C25 | C26 | O7 | H35 | 180.0° | 60.4° |
| N1 | C2 | C1 | C26 | 51.0° | 59.2° |
| N1 | C2 | C1 | C3 | 126.6° | 120.0° |
| N1 | C2 | C1 | H24 | 115.6° | 120.0° |
| N1 | C2 | C3 | H24 | 120.1° | 119.9° |
| N1 | C2 | C1 | O1 | 172.2° | 179.1° |
| N1 | C2 | C3 | O2 | 55.8° | 63.2° |
| C2 | N1 | C4 | H2 | 172.9° | 68.9° |
| C2 | N1 | C4 | H3 | 68.2° | 51.1° |
| C2 | N1 | C24 | H16 | 177.9° | 58.3° |
| C2 | N1 | C24 | H17 | 57.5° | 178.3° |
| N1 | C2 | C1 | H19 | 68.7° | 60.8° |
| N1 | C2 | C3 | H27 | 64.6° | 56.9° |
| N1 | C2 | C3 | H28 | 176.2° | 176.9° |
| O7 | C26 | C1 | H18 | 117.7° | 120.2° |
| O7 | C26 | C1 | C2 | 173.3° | 177.5° |
| O7 | C26 | C1 | O1 | 64.8° | 62.5° |
| O7 | C26 | C1 | H19 | 54.5° | 57.5° |
| O7 | C26 | C25 | H26 | 55.5° | 57.6° |
| C26 | C1 | C2 | O1 | 121.2° | 119.9° |
| C26 | C1 | C2 | H19 | 119.7° | 120.0° |
| C26 | C1 | C2 | C3 | 177.7° | 179.2° |
| C26 | C1 | O1 | H19 | 118.9° | 120.1° |
| C26 | C1 | C2 | H24 | 64.6° | 60.8° |
| C1 | C26 | C25 | H26 | 57.2° | 62.3° |
| C26 | C1 | O1 | H32 | 180.0° | 60.0° |
| C1 | C26 | O7 | H35 | 61.8° | 180.0° |
| C1 | C2 | C3 | H24 | 117.1° | 120.0° |
| C2 | C1 | O1 | H19 | 117.8° | 120.1° |
| C1 | C2 | C3 | O2 | 67.1° | 56.9° |
| C2 | C1 | C26 | H18 | 69.0° | 62.3° |
| C1 | C2 | C3 | H27 | 172.5° | 176.9° |
| C1 | C2 | C3 | H28 | 53.3° | 63.1° |
| C2 | C1 | O1 | H32 | 56.7° | 179.8° |
| C3 | C2 | C1 | O1 | 61.1° | 60.9° |
| C2 | C3 | O2 | H27 | 120.4° | 120.1° |
| C2 | C3 | O2 | H28 | 120.4° | 120.0° |
| C3 | C2 | C1 | H19 | 58.0° | 59.2° |
| C2 | C3 | H27 | H28 | 118.9° | 120.0° |
| C2 | C3 | O2 | H33 | 180.0° | 180.0° |
| O1 | C1 | C26 | H18 | 52.9° | 57.7° |
| O1 | C1 | C2 | H24 | 56.6° | 59.1° |
| O2 | C3 | C2 | H24 | 175.8° | 176.9° |
| O2 | C3 | H27 | H28 | 118.9° | 120.0° |
| H2 | C4 | C5 | H4 | 156.9° | 180.0° |
| H2 | C4 | C5 | H5 | 84.7° | 60.1° |
| H3 | C4 | C5 | H4 | 38.0° | 60.1° |
| H3 | C4 | C5 | H5 | 156.4° | 180.0° |
| H4 | C5 | C6 | H6 | 112.5° | 180.0° |
| H4 | C5 | C6 | H7 | 6.8° | 60.0° |
| H5 | C5 | C6 | H6 | 129.0° | 60.0° |
| H5 | C5 | C6 | H7 | 111.7° | 180.0° |
| H6 | C6 | C7 | H8 | 97.7° | 180.0° |
| H6 | C6 | C7 | H9 | 22.0° | 60.0° |
| H7 | C6 | C7 | H8 | 143.0° | 60.0° |
| H7 | C6 | C7 | H9 | 97.4° | 180.0° |
| H8 | C7 | C8 | H10 | 146.4° | 180.0° |
| H8 | C7 | C8 | H11 | 27.0° | 60.0° |
| H9 | C7 | C8 | H10 | 94.0° | 60.0° |
| H9 | C7 | C8 | H11 | 146.7° | 180.0° |
| H10 | C8 | C9 | H29 | 124.7° | 180.0° |
| H10 | C8 | C9 | H30 | 115.0° | 60.0° |
| H11 | C8 | C9 | H29 | 5.4° | 60.0° |
| H11 | C8 | C9 | H30 | 125.6° | NaN° |
| H12 | C17 | C16 | H21 | 48.9° | 63.3° |
| H12 | C17 | C16 | H36 | 69.3° | 56.8° |
| H13 | C20 | C21 | H14 | 1.7° | 0.1° |
| H15 | C22 | C23 | H25 | 0.2° | 0.0° |
| H16 | C24 | C25 | H26 | 64.6° | 179.2° |
| H17 | C24 | C25 | H26 | 175.0° | 59.2° |
| H18 | C26 | C1 | H19 | 172.2° | 177.7° |
| H18 | C26 | C25 | H26 | 178.6° | 177.8° |
| H18 | C26 | O7 | H35 | 56.4° | 59.8° |
| H19 | C1 | C2 | H24 | 175.7° | 179.2° |
| H19 | C1 | O1 | H32 | 61.1° | 60.1° |
| H21 | C16 | C17 | H1 | 167.2° | 56.8° |
| H22 | C18 | C19 | H23 | 38.4° | 176.9° |
| H22 | C18 | C19 | H38 | 156.6° | 56.8° |
| H23 | C19 | C18 | H37 | 79.0° | 56.8° |
| H24 | C2 | C3 | H27 | 55.5° | 63.1° |
| H24 | C2 | C3 | H28 | 63.8° | 56.9° |
| H26 | C25 | O6 | H34 | 63.8° | 60.1° |
| H27 | C3 | O2 | H33 | 59.6° | 60.0° |
| H28 | C3 | O2 | H33 | 59.6° | 60.0° |
| H29 | C9 | N2 | H31 | 106.6° | 120.0° |
| H30 | C9 | N2 | H31 | 133.1° | 120.0° |
| H1 | C17 | C16 | H36 | 48.9° | 176.9° |
| H37 | C18 | C19 | H38 | 39.1° | 63.3° |
