UQH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.49Å | |
| O4 | C25 | sing | 1.43Å | 1.45Å | |
| C25 | C1 | sing | 1.53Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| O3 | C4 | sing | 1.43Å | 1.41Å | |
| C22 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.47Å | |
| C24 | N1 | sing | 1.47Å | 1.46Å | |
| N3 | N4 | sing | 1.28Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| N1 | C5 | sing | 1.47Å | 1.20Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| C21 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| N4 | C19 | doub | 1.33Å | 1.31Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C18 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C10 | N2 | sing | 1.46Å | 1.47Å | |
| C11 | N2 | sing | 1.40Å | 1.47Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.39Å | |
| C14 | C16 | sing | 1.53Å | 1.39Å | |
| C15 | C16 | sing | 1.53Å | 1.39Å | |
| 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 | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| O1 | H23 | sing | 0.97Å | 0.95Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| O2 | H26 | sing | 0.97Å | 0.95Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| O3 | H28 | sing | 0.97Å | 0.95Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.08Å | 1.08Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.08Å | 1.08Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C25 | 108.8° | 109.6° |
| O1 | C1 | C2 | 108.8° | 109.5° |
| O1 | C1 | H22 | 108.9° | 109.5° |
| C1 | O1 | H23 | 109.5° | 114.0° |
| O4 | C25 | C1 | 108.8° | 109.5° |
| O4 | C25 | C24 | 108.8° | 109.5° |
| C25 | O4 | H29 | 109.5° | 114.0° |
| O4 | C25 | H37 | 109.5° | 109.5° |
| C1 | C25 | C24 | 112.2° | 109.3° |
| C25 | C1 | C2 | 112.0° | 109.1° |
| C25 | C1 | H22 | 109.4° | 109.5° |
| C1 | C25 | H37 | 109.4° | 109.5° |
| C25 | C24 | N1 | 112.0° | 109.5° |
| C25 | C24 | H20 | 108.8° | 109.5° |
| C25 | C24 | H21 | 108.8° | 109.5° |
| C24 | C25 | H37 | 108.1° | 109.6° |
| O3 | C4 | C3 | 108.4° | 109.4° |
| O3 | C4 | H2 | 109.8° | 109.5° |
| O3 | C4 | H3 | 109.7° | 109.5° |
| C4 | O3 | H28 | 109.5° | 114.0° |
| N3 | C22 | C21 | 120.2° | 120.1° |
| C22 | N3 | N4 | 122.0° | 122.3° |
| N3 | C22 | H19 | 119.9° | 119.9° |
| C22 | C21 | C20 | 118.2° | 118.1° |
| C22 | C21 | H18 | 120.9° | 121.0° |
| C21 | C22 | H19 | 119.9° | 120.0° |
| C1 | C2 | C3 | 112.0° | 109.3° |
| C1 | C2 | O2 | 108.9° | 109.5° |
| C2 | C1 | H22 | 109.0° | 109.6° |
| C1 | C2 | H24 | 109.2° | 109.5° |
| C24 | N1 | C5 | 110.0° | 111.0° |
| C24 | N1 | C3 | 112.1° | 111.2° |
| N1 | C24 | H20 | 108.8° | 109.4° |
| N1 | C24 | H21 | 108.8° | 109.5° |
| N3 | N4 | C19 | 121.7° | 122.1° |
| C3 | C2 | O2 | 108.9° | 109.5° |
| C2 | C3 | N1 | 111.9° | 109.5° |
| C2 | C3 | C4 | 108.9° | 109.5° |
| C3 | C2 | H24 | 108.2° | 109.5° |
| C2 | C3 | H27 | 108.6° | 109.4° |
| O2 | C2 | H24 | 109.7° | 109.5° |
| C2 | O2 | H26 | 109.5° | 114.0° |
| C5 | N1 | C3 | 110.1° | 111.0° |
| N1 | C5 | C6 | 110.5° | 109.5° |
| N1 | C5 | H4 | 109.3° | 109.5° |
| N1 | C5 | H5 | 109.2° | 109.5° |
| N1 | C3 | C4 | 108.9° | 109.5° |
| N1 | C3 | H27 | 109.8° | 109.5° |
| C21 | C20 | C19 | 117.1° | 117.9° |
| C21 | C20 | H17 | 121.4° | 121.1° |
| C20 | C21 | H18 | 120.9° | 120.9° |
| C5 | C6 | C7 | 112.4° | 109.5° |
| C6 | C5 | H4 | 109.2° | 109.5° |
| C6 | C5 | H5 | 109.2° | 109.4° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| C5 | C6 | H7 | 108.7° | 109.4° |
| C3 | C4 | H2 | 109.7° | 109.5° |
| C3 | C4 | H3 | 109.8° | 109.5° |
| C4 | C3 | H27 | 108.6° | 109.4° |
| N4 | C19 | C20 | 120.8° | 119.6° |
| N4 | C19 | C18 | 119.6° | 120.2° |
| C20 | C19 | C18 | 119.6° | 120.2° |
| C19 | C20 | H17 | 121.4° | 121.1° |
| C19 | C18 | C23 | 120.0° | 120.1° |
| C19 | C18 | C17 | 120.0° | 120.1° |
| C6 | C7 | C8 | 112.3° | 109.5° |
| C7 | C6 | H6 | 108.7° | 109.5° |
| C7 | C6 | H7 | 108.7° | 109.5° |
| C6 | C7 | H8 | 108.7° | 109.5° |
| C6 | C7 | H9 | 108.8° | 109.5° |
| C7 | C8 | C9 | 112.3° | 109.5° |
| C8 | C7 | H8 | 108.8° | 109.5° |
| C8 | C7 | H9 | 108.7° | 109.5° |
| C7 | C8 | H10 | 108.7° | 109.5° |
| C7 | C8 | H11 | 108.8° | 109.4° |
| C23 | C18 | C17 | 120.1° | 119.8° |
| C18 | C23 | C11 | 120.0° | 119.8° |
| C18 | C23 | H36 | 120.0° | 120.2° |
| C18 | C17 | C13 | 120.0° | 120.1° |
| C18 | C17 | H16 | 120.0° | 120.0° |
| C23 | C11 | N2 | 120.0° | 120.0° |
| C23 | C11 | C12 | 120.0° | 119.9° |
| C11 | C23 | H36 | 120.0° | 120.0° |
| C17 | C13 | C12 | 120.0° | 120.2° |
| C17 | C13 | C14 | 120.0° | 119.9° |
| C13 | C17 | H16 | 120.0° | 120.0° |
| C8 | C9 | C10 | 112.3° | 109.5° |
| C9 | C8 | H10 | 108.7° | 109.5° |
| C9 | C8 | H11 | 108.7° | 109.5° |
| C8 | C9 | H30 | 108.8° | 109.4° |
| C8 | C9 | H31 | 108.7° | 109.4° |
| C9 | C10 | N2 | 110.3° | 109.5° |
| C9 | C10 | H12 | 109.3° | 109.5° |
| C9 | C10 | H13 | 109.2° | 109.4° |
| C10 | C9 | H30 | 108.7° | 109.5° |
| C10 | C9 | H31 | 108.8° | 109.5° |
| C10 | N2 | C11 | 120.0° | 120.0° |
| N2 | C10 | H12 | 109.2° | 109.5° |
| N2 | C10 | H13 | 109.3° | 109.5° |
| C10 | N2 | H25 | 106.8° | 120.0° |
| N2 | C11 | C12 | 120.0° | 120.0° |
| C11 | N2 | H25 | 106.8° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.2° |
| C11 | C12 | H32 | 120.0° | 119.9° |
| C12 | C13 | C14 | 120.0° | 119.9° |
| C13 | C12 | H32 | 120.0° | 119.9° |
| C13 | C14 | C15 | 150.0° | 117.5° |
| C13 | C14 | C16 | 150.0° | 117.5° |
| C13 | C14 | H33 | 90.0° | 115.5° |
| C15 | C14 | C16 | 60.0° | 60.0° |
| C14 | C15 | C16 | 60.0° | 60.0° |
| C14 | C15 | H14 | 120.0° | 117.5° |
| C14 | C15 | H15 | 120.0° | 117.5° |
| C15 | C14 | H33 | 90.0° | 117.5° |
| C14 | C16 | C15 | 60.0° | 60.0° |
| C16 | C14 | H33 | 90.0° | 117.5° |
| C14 | C16 | H34 | 120.0° | 117.5° |
| C14 | C16 | H35 | 120.0° | 117.4° |
| C16 | C15 | H14 | 120.0° | 117.5° |
| C16 | C15 | H15 | 120.0° | 117.5° |
| C15 | C16 | H34 | 120.0° | 117.5° |
| C15 | C16 | H35 | 120.0° | 117.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 115.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H30 | C9 | H31 | 109.5° | 109.5° |
| H34 | C16 | H35 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C25 | O4 | 66.8° | 62.5° |
| O1 | C1 | C25 | C2 | 120.3° | 119.9° |
| O1 | C1 | C25 | H22 | 118.8° | 120.1° |
| O1 | C1 | C25 | C24 | 172.8° | 177.6° |
| O1 | C1 | C2 | H22 | 118.6° | 120.1° |
| O1 | C1 | C2 | C3 | 173.1° | 177.6° |
| O1 | C1 | C2 | O2 | 66.4° | 62.4° |
| O1 | C1 | C2 | H24 | 53.3° | 57.6° |
| O1 | C1 | C25 | H37 | 52.8° | 57.6° |
| O4 | C25 | C1 | C24 | 120.4° | 119.9° |
| O4 | C25 | C1 | H37 | 119.6° | 120.1° |
| O4 | C25 | C24 | H37 | 118.8° | 120.1° |
| O4 | C25 | C1 | C2 | 172.9° | 177.6° |
| O4 | C25 | C24 | N1 | 173.3° | 179.1° |
| O4 | C25 | C24 | H20 | 66.4° | 59.1° |
| O4 | C25 | C24 | H21 | 52.9° | 60.9° |
| O4 | C25 | C1 | H22 | 51.9° | 57.7° |
| C1 | C25 | C24 | H37 | 120.8° | 120.0° |
| C25 | C1 | C2 | H22 | 121.2° | 119.9° |
| C1 | C25 | C24 | N1 | 52.8° | 59.2° |
| C25 | C1 | C2 | C3 | 52.9° | 57.7° |
| C25 | C1 | C2 | O2 | 173.4° | 177.6° |
| C1 | C25 | C24 | H20 | 173.2° | 60.8° |
| C1 | C25 | C24 | H21 | 67.5° | 179.2° |
| C25 | C1 | O1 | H23 | 180.0° | 60.2° |
| C25 | C1 | C2 | H24 | 66.9° | 62.3° |
| C1 | C25 | O4 | H29 | 180.0° | 179.9° |
| C24 | C25 | C1 | C2 | 52.5° | 57.7° |
| C25 | C24 | N1 | H20 | 120.4° | 120.1° |
| C25 | C24 | N1 | H21 | 120.4° | 120.0° |
| C25 | C24 | N1 | C5 | 176.2° | 174.1° |
| C25 | C24 | N1 | C3 | 53.3° | 61.8° |
| C25 | C24 | H20 | H21 | 118.8° | 120.0° |
| C24 | C25 | C1 | H22 | 68.5° | 62.2° |
| C24 | C25 | O4 | H29 | 57.5° | 60.2° |
| O3 | C4 | C3 | C2 | 72.8° | 56.7° |
| O3 | C4 | C3 | N1 | 49.5° | 63.4° |
| O3 | C4 | C3 | H2 | 119.8° | 120.0° |
| O3 | C4 | C3 | H3 | 119.8° | 120.0° |
| O3 | C4 | H2 | H3 | 120.5° | 120.0° |
| O3 | C4 | C3 | H27 | 169.1° | 176.6° |
| N3 | C22 | C21 | H19 | 180.0° | 180.0° |
| N3 | C22 | C21 | C20 | 0.0° | 0.0° |
| C22 | N3 | N4 | C19 | 0.1° | 0.0° |
| N3 | C22 | C21 | H18 | 180.0° | 180.0° |
| C21 | C22 | N3 | N4 | 0.0° | 0.1° |
| C22 | C21 | C20 | H18 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C22 | C21 | C20 | H17 | 180.0° | 179.9° |
| C1 | C2 | C3 | O2 | 120.5° | 119.9° |
| C1 | C2 | C3 | H24 | 120.4° | 120.0° |
| C1 | C2 | O2 | H24 | 119.4° | 120.1° |
| C1 | C2 | C3 | N1 | 53.4° | 59.2° |
| C1 | C2 | C3 | C4 | 173.9° | 179.2° |
| C2 | C1 | O1 | H23 | 57.8° | 179.9° |
| C1 | C2 | O2 | H26 | 180.0° | 60.0° |
| C1 | C2 | C3 | H27 | 68.0° | 60.9° |
| C2 | C1 | C25 | H37 | 67.5° | 62.3° |
| C24 | N1 | C3 | C2 | 53.7° | 61.7° |
| C24 | N1 | C5 | C3 | 124.0° | 124.2° |
| C24 | N1 | C5 | C6 | 65.5° | 62.9° |
| C24 | N1 | C3 | C4 | 174.3° | 178.2° |
| C24 | N1 | C5 | H4 | 174.3° | 57.1° |
| C24 | N1 | C5 | H5 | 54.6° | 177.1° |
| N1 | C24 | H20 | H21 | 118.8° | 120.0° |
| C24 | N1 | C3 | H27 | 66.9° | 58.3° |
| N1 | C24 | C25 | H37 | 67.9° | 60.8° |
| N3 | N4 | C19 | C20 | 0.1° | 0.0° |
| N3 | N4 | C19 | C18 | 180.0° | 180.0° |
| N4 | N3 | C22 | H19 | 180.0° | 180.0° |
| C3 | C2 | O2 | H24 | 118.2° | 120.1° |
| C2 | C3 | N1 | C5 | 176.6° | 174.2° |
| C2 | C3 | N1 | C4 | 120.5° | 120.1° |
| C2 | C3 | N1 | H27 | 120.6° | 120.0° |
| C2 | C3 | C4 | H27 | 118.1° | 119.9° |
| C2 | C3 | C4 | H2 | 47.0° | 176.6° |
| C2 | C3 | C4 | H3 | 167.4° | 63.4° |
| C3 | C2 | C1 | H22 | 68.3° | 62.2° |
| C3 | C2 | O2 | H26 | 57.6° | 179.8° |
| O2 | C2 | C3 | N1 | 173.9° | 179.1° |
| O2 | C2 | C3 | C4 | 65.6° | 60.8° |
| O2 | C2 | C1 | H22 | 52.2° | 57.7° |
| O2 | C2 | C3 | H27 | 52.5° | 59.1° |
| N1 | C5 | C6 | H4 | 120.2° | 120.0° |
| N1 | C5 | C6 | H5 | 120.1° | 120.0° |
| C5 | N1 | C3 | C4 | 62.9° | 54.1° |
| N1 | C5 | C6 | C7 | 160.5° | 180.0° |
| N1 | C5 | H4 | H5 | 119.5° | 120.0° |
| N1 | C5 | C6 | H6 | 79.1° | 60.0° |
| N1 | C5 | C6 | H7 | 40.1° | 60.0° |
| C5 | N1 | C24 | H20 | 63.4° | 65.8° |
| C5 | N1 | C24 | H21 | 55.8° | 54.2° |
| C5 | N1 | C3 | H27 | 56.0° | 65.8° |
| C3 | N1 | C5 | C6 | 58.5° | 172.9° |
| N1 | C3 | C4 | H27 | 119.6° | 120.0° |
| N1 | C3 | C4 | H2 | 169.4° | 56.5° |
| N1 | C3 | C4 | H3 | 70.3° | 176.5° |
| C3 | N1 | C5 | H4 | 61.6° | 67.1° |
| C3 | N1 | C5 | H5 | 178.6° | 52.9° |
| C3 | N1 | C24 | H20 | 173.7° | 58.3° |
| C3 | N1 | C24 | H21 | 67.1° | 178.3° |
| N1 | C3 | C2 | H24 | 67.0° | 60.8° |
| C21 | C20 | C19 | N4 | 0.1° | 0.0° |
| C21 | C20 | C19 | H17 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H19 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 120.4° | 120.0° |
| C5 | C6 | C7 | H7 | 120.4° | 120.0° |
| C5 | C6 | C7 | C8 | 154.6° | 180.0° |
| C6 | C5 | H4 | H5 | 119.6° | 120.0° |
| C5 | C6 | H6 | H7 | 118.7° | 120.0° |
| C5 | C6 | C7 | H8 | 85.0° | 60.0° |
| C5 | C6 | C7 | H9 | 34.2° | 60.0° |
| C3 | C4 | H2 | H3 | 120.5° | 120.0° |
| C4 | C3 | C2 | H24 | 53.5° | 59.2° |
| C3 | C4 | O3 | H28 | 180.0° | 180.0° |
| N4 | C19 | C20 | C18 | 179.9° | 180.0° |
| N4 | C19 | C18 | C23 | 4.2° | 175.0° |
| N4 | C19 | C18 | C17 | 175.7° | 4.8° |
| N4 | C19 | C20 | H17 | 179.9° | 180.0° |
| C20 | C19 | C18 | C23 | 175.9° | 4.9° |
| C20 | C19 | C18 | C17 | 4.2° | 175.3° |
| C19 | C20 | C21 | H18 | 180.0° | 180.0° |
| C19 | C18 | C23 | C17 | 179.9° | 179.8° |
| C19 | C18 | C23 | C11 | 179.9° | 180.0° |
| C19 | C18 | C17 | C13 | 180.0° | 179.8° |
| C19 | C18 | C17 | H16 | 0.0° | 0.2° |
| C18 | C19 | C20 | H17 | 0.0° | 0.1° |
| C19 | C18 | C23 | H36 | 0.0° | 0.2° |
| C6 | C7 | C8 | H8 | 120.4° | 120.0° |
| C6 | C7 | C8 | H9 | 120.4° | 120.0° |
| C6 | C7 | C8 | C9 | 171.8° | 180.0° |
| C7 | C6 | C5 | H4 | 40.3° | 60.0° |
| C7 | C6 | C5 | H5 | 79.4° | 60.0° |
| C7 | C6 | H6 | H7 | 118.7° | 120.0° |
| C6 | C7 | H8 | H9 | 118.7° | 120.0° |
| C6 | C7 | C8 | H10 | 51.4° | 60.0° |
| C6 | C7 | C8 | H11 | 67.7° | 60.0° |
| C7 | C8 | C9 | H10 | 120.4° | 120.0° |
| C7 | C8 | C9 | H11 | 120.4° | 120.0° |
| C7 | C8 | C9 | C10 | 62.2° | 180.0° |
| C8 | C7 | C6 | H6 | 34.2° | 60.0° |
| C8 | C7 | C6 | H7 | 85.0° | 60.0° |
| C8 | C7 | H8 | H9 | 118.7° | 120.0° |
| C7 | C8 | H10 | H11 | 118.7° | 120.0° |
| C7 | C8 | C9 | H30 | 177.4° | 60.0° |
| C7 | C8 | C9 | H31 | 58.2° | 60.0° |
| C18 | C23 | C11 | H36 | 180.0° | 179.8° |
| C23 | C18 | C17 | C13 | 0.1° | 0.0° |
| C18 | C23 | C11 | N2 | 180.0° | 179.9° |
| C18 | C23 | C11 | C12 | 0.0° | 0.5° |
| C23 | C18 | C17 | H16 | 179.9° | 180.0° |
| C17 | C18 | C23 | C11 | 0.0° | 0.2° |
| C18 | C17 | C13 | H16 | 180.0° | 180.0° |
| C18 | C17 | C13 | C12 | 0.1° | 0.0° |
| C18 | C17 | C13 | C14 | 180.0° | 179.7° |
| C17 | C18 | C23 | H36 | 179.9° | 180.0° |
| C23 | C11 | N2 | C10 | 62.1° | 0.6° |
| C23 | C11 | N2 | C12 | 180.0° | 179.4° |
| C23 | C11 | C12 | C13 | 0.1° | 0.6° |
| C23 | C11 | N2 | H25 | 59.4° | 179.4° |
| C23 | C11 | C12 | H32 | 180.0° | 179.5° |
| C17 | C13 | C12 | C11 | 0.0° | 0.3° |
| C17 | C13 | C12 | C14 | 180.0° | 179.7° |
| C17 | C13 | C14 | C15 | 118.2° | 59.7° |
| C17 | C13 | C14 | C16 | 61.7° | 8.9° |
| C17 | C13 | C12 | H32 | 180.0° | 179.7° |
| C17 | C13 | C14 | H33 | 151.8° | 154.6° |
| C8 | C9 | C10 | H30 | 120.4° | 120.0° |
| C8 | C9 | C10 | H31 | 120.4° | 120.0° |
| C8 | C9 | C10 | N2 | 144.8° | 180.0° |
| C9 | C8 | C7 | H8 | 67.8° | 60.0° |
| C9 | C8 | C7 | H9 | 51.4° | 60.0° |
| C9 | C8 | H10 | H11 | 118.7° | 120.0° |
| C8 | C9 | C10 | H12 | 95.1° | 60.0° |
| C8 | C9 | C10 | H13 | 24.6° | 60.0° |
| C8 | C9 | H30 | H31 | 118.7° | 119.9° |
| C9 | C10 | N2 | H12 | 120.1° | 120.0° |
| C9 | C10 | N2 | H13 | 120.1° | 119.9° |
| C9 | C10 | N2 | C11 | 159.2° | 180.0° |
| C10 | C9 | C8 | H10 | 58.2° | 60.0° |
| C10 | C9 | C8 | H11 | 177.3° | 60.0° |
| C9 | C10 | H12 | H13 | 119.6° | 120.0° |
| C9 | C10 | N2 | H25 | 79.3° | 0.0° |
| C10 | C9 | H30 | H31 | 118.7° | 120.1° |
| C10 | N2 | C11 | H25 | 121.5° | 180.0° |
| C10 | N2 | C11 | C12 | 117.9° | 180.0° |
| N2 | C10 | H12 | H13 | 119.6° | 120.0° |
| N2 | C10 | C9 | H30 | 24.4° | 60.1° |
| N2 | C10 | C9 | H31 | 94.8° | 60.0° |
| N2 | C11 | C12 | C13 | 180.0° | 180.0° |
| C11 | N2 | C10 | H12 | 39.1° | 60.0° |
| C11 | N2 | C10 | H13 | 80.7° | 60.0° |
| N2 | C11 | C12 | H32 | 0.0° | 0.1° |
| N2 | C11 | C23 | H36 | 0.0° | 0.3° |
| C11 | C12 | C13 | H32 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C12 | C11 | N2 | H25 | 120.6° | 0.0° |
| C12 | C11 | C23 | H36 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 61.8° | 119.9° |
| C12 | C13 | C14 | C16 | 118.3° | 171.4° |
| C12 | C13 | C17 | H16 | 179.9° | 180.0° |
| C12 | C13 | C14 | H33 | 28.2° | 25.7° |
| C13 | C14 | C15 | C16 | 179.9° | 107.5° |
| C13 | C14 | C15 | H33 | 90.0° | 145.0° |
| C13 | C14 | C16 | H33 | 90.0° | 145.0° |
| C13 | C14 | C15 | H14 | 70.6° | 145.1° |
| C13 | C14 | C15 | H15 | 70.5° | 0.0° |
| C14 | C13 | C17 | H16 | 0.0° | 0.3° |
| C14 | C13 | C12 | H32 | 0.0° | 0.1° |
| C13 | C14 | C16 | H34 | 70.4° | 145.0° |
| C13 | C14 | C16 | H35 | 70.6° | 0.0° |
| C15 | C14 | C16 | H33 | 90.0° | 107.5° |
| C14 | C15 | C16 | H14 | 109.5° | 107.5° |
| C14 | C15 | C16 | H15 | 109.4° | 107.6° |
| C14 | C15 | H14 | H15 | 144.7° | 145.8° |
| C15 | C14 | C16 | H34 | 109.5° | 107.5° |
| C15 | C14 | C16 | H35 | 109.5° | 107.5° |
| C14 | C16 | H34 | H35 | 144.7° | 145.6° |
| C16 | C15 | H14 | H15 | 144.8° | 145.6° |
| C15 | C16 | H34 | H35 | 144.7° | 145.7° |
| H2 | C4 | C3 | H27 | 71.1° | 63.4° |
| H2 | C4 | O3 | H28 | 60.2° | 60.0° |
| H3 | C4 | C3 | H27 | 49.3° | 56.6° |
| H3 | C4 | O3 | H28 | 60.2° | 60.0° |
| H4 | C5 | C6 | H6 | 160.7° | 180.0° |
| H4 | C5 | C6 | H7 | 80.1° | 60.0° |
| H5 | C5 | C6 | H6 | 41.0° | 60.0° |
| H5 | C5 | C6 | H7 | 160.2° | 180.0° |
| H6 | C6 | C7 | H8 | 154.6° | 180.0° |
| H6 | C6 | C7 | H9 | 86.2° | 60.0° |
| H7 | C6 | C7 | H8 | 35.4° | 60.0° |
| H7 | C6 | C7 | H9 | 154.6° | 180.0° |
| H8 | C7 | C8 | H10 | 171.8° | NaN° |
| H8 | C7 | C8 | H11 | 52.7° | 60.0° |
| H9 | C7 | C8 | H10 | 69.0° | 60.0° |
| H9 | C7 | C8 | H11 | 171.8° | 180.0° |
| H10 | C8 | C9 | H30 | 62.2° | 180.0° |
| H10 | C8 | C9 | H31 | 178.6° | 60.1° |
| H11 | C8 | C9 | H30 | 56.9° | 60.0° |
| H11 | C8 | C9 | H31 | 62.3° | 179.9° |
| H12 | C10 | N2 | H25 | 160.6° | 120.0° |
| H12 | C10 | C9 | H30 | 144.5° | 60.0° |
| H12 | C10 | C9 | H31 | 25.3° | 180.0° |
| H13 | C10 | N2 | H25 | 40.8° | 120.0° |
| H13 | C10 | C9 | H30 | 95.8° | 180.0° |
| H13 | C10 | C9 | H31 | 145.0° | 60.0° |
| H14 | C15 | C14 | H33 | 19.4° | 0.1° |
| H14 | C15 | C16 | H34 | 141.1° | 0.0° |
| H14 | C15 | C16 | H35 | 0.0° | 145.0° |
| H15 | C15 | C14 | H33 | 160.5° | 145.0° |
| H15 | C15 | C16 | H34 | 0.0° | 145.0° |
| H15 | C15 | C16 | H35 | 141.1° | 0.1° |
| H17 | C20 | C21 | H18 | 0.0° | 0.1° |
| H18 | C21 | C22 | H19 | 0.0° | 0.0° |
| H20 | C24 | C25 | H37 | 52.5° | 179.2° |
| H21 | C24 | C25 | H37 | 171.7° | 59.2° |
| H22 | C1 | O1 | H23 | 60.9° | 59.9° |
| H22 | C1 | C2 | H24 | 171.9° | 177.8° |
| H22 | C1 | C25 | H37 | 171.5° | 177.8° |
| H24 | C2 | O2 | H26 | 60.6° | 60.1° |
| H24 | C2 | C3 | H27 | 171.7° | 179.1° |
| H29 | O4 | C25 | H37 | 60.4° | 60.0° |
| H33 | C14 | C16 | H34 | 160.5° | 0.0° |
| H33 | C14 | C16 | H35 | 19.5° | 145.0° |
