WUK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.36Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.41Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.42Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.36Å | 1.38Å | Aromatic |
| C30 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| O5 | C18 | doub | 1.22Å | 1.24Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.36Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.51Å | 1.49Å | |
| C17 | C18 | sing | 1.48Å | 1.48Å | |
| C17 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | N3 | sing | 1.35Å | 1.26Å | |
| O4 | C9 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C19 | N3 | sing | 1.46Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C9 | N2 | sing | 1.35Å | 1.26Å | |
| O2 | C4 | sing | 1.45Å | 1.44Å | |
| O2 | C3 | sing | 1.34Å | 1.47Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| N2 | N1 | sing | 1.40Å | 1.38Å | |
| N1 | C8 | sing | 1.35Å | 1.32Å | |
| C3 | O1 | doub | 1.21Å | 1.22Å | |
| C8 | O3 | doub | 1.21Å | 1.22Å | |
| C8 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 121.0° | 121.0° |
| C27 | C26 | C25 | 119.9° | 119.6° |
| C27 | C26 | H15 | 120.0° | 120.2° |
| C26 | C27 | H16 | 119.5° | 119.5° |
| C27 | C28 | C29 | 118.6° | 121.0° |
| C28 | C27 | H16 | 119.5° | 119.5° |
| C27 | C28 | H17 | 120.7° | 119.5° |
| C26 | C25 | C24 | 119.4° | 121.3° |
| C26 | C25 | C30 | 120.1° | 119.4° |
| C25 | C26 | H15 | 120.1° | 120.2° |
| C28 | C29 | C30 | 121.3° | 119.7° |
| C29 | C28 | H17 | 120.7° | 119.5° |
| C28 | C29 | H19 | 119.3° | 120.2° |
| C24 | C25 | C30 | 120.5° | 119.4° |
| C25 | C24 | C23 | 120.7° | 119.6° |
| C25 | C24 | H14 | 119.7° | 120.2° |
| C25 | C30 | C29 | 119.1° | 119.3° |
| C25 | C30 | C21 | 118.5° | 119.3° |
| C29 | C30 | C21 | 122.3° | 121.3° |
| C30 | C29 | H19 | 119.4° | 120.2° |
| C24 | C23 | C22 | 119.2° | 121.0° |
| C24 | C23 | H13 | 120.4° | 119.5° |
| C23 | C24 | H14 | 119.6° | 120.2° |
| C30 | C21 | C22 | 120.1° | 119.7° |
| C30 | C21 | C19 | 121.0° | 120.1° |
| O5 | C18 | C17 | 117.5° | 120.0° |
| O5 | C18 | N3 | 124.8° | 120.0° |
| C16 | C15 | C14 | 118.6° | 120.1° |
| C15 | C16 | C17 | 118.3° | 119.8° |
| C16 | C15 | H7 | 120.7° | 119.9° |
| C15 | C16 | H20 | 120.8° | 120.1° |
| C15 | C14 | C13 | 122.3° | 120.3° |
| C14 | C15 | H7 | 120.7° | 119.9° |
| C15 | C14 | H21 | 118.9° | 119.8° |
| C16 | C17 | C18 | 117.4° | 120.1° |
| C16 | C17 | C12 | 124.2° | 119.7° |
| C17 | C16 | H20 | 120.8° | 120.0° |
| C23 | C22 | C21 | 121.0° | 121.0° |
| C23 | C22 | H12 | 119.5° | 119.5° |
| C22 | C23 | H13 | 120.4° | 119.5° |
| C14 | C13 | C12 | 119.8° | 120.1° |
| C14 | C13 | H6 | 120.1° | 119.9° |
| C13 | C14 | H21 | 118.9° | 119.9° |
| C22 | C21 | C19 | 118.9° | 120.2° |
| C21 | C22 | H12 | 119.5° | 119.5° |
| C21 | C19 | N3 | 112.4° | 109.5° |
| C21 | C19 | C20 | 112.0° | 109.5° |
| C21 | C19 | H8 | 107.8° | 109.5° |
| C18 | C17 | C12 | 118.4° | 120.2° |
| C17 | C18 | N3 | 117.7° | 120.0° |
| C17 | C12 | C13 | 116.8° | 119.8° |
| C17 | C12 | C11 | 119.8° | 120.1° |
| C18 | N3 | C19 | 114.2° | 120.0° |
| C18 | N3 | H18 | 122.9° | 120.0° |
| O4 | C9 | C10 | 118.9° | 120.0° |
| O4 | C9 | N2 | 125.1° | 120.0° |
| C13 | C12 | C11 | 123.4° | 120.1° |
| C12 | C13 | H6 | 120.1° | 119.9° |
| C12 | C11 | C10 | 111.9° | 109.5° |
| C12 | C11 | H22 | 108.8° | 109.5° |
| C12 | C11 | H23 | 108.9° | 109.5° |
| C11 | C10 | C9 | 110.0° | 109.5° |
| C10 | C11 | H22 | 108.9° | 109.5° |
| C10 | C11 | H23 | 108.9° | 109.5° |
| C11 | C10 | H24 | 109.3° | 109.4° |
| C11 | C10 | H25 | 109.4° | 109.5° |
| C10 | C9 | N2 | 116.1° | 119.9° |
| C9 | C10 | H24 | 109.4° | 109.5° |
| C9 | C10 | H25 | 109.3° | 109.5° |
| N3 | C19 | C20 | 108.7° | 109.5° |
| N3 | C19 | H8 | 108.5° | 109.5° |
| C19 | N3 | H18 | 122.9° | 120.1° |
| C20 | C19 | H8 | 107.4° | 109.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| C19 | C20 | H11 | 109.5° | 109.4° |
| C9 | N2 | N1 | 116.3° | 120.0° |
| C9 | N2 | H26 | 121.8° | 120.0° |
| C4 | O2 | C3 | 124.9° | 117.0° |
| O2 | C4 | H3 | 109.5° | 109.5° |
| O2 | C4 | H4 | 109.5° | 109.5° |
| O2 | C4 | H5 | 109.5° | 109.5° |
| O2 | C3 | C2 | 121.1° | 120.0° |
| O2 | C3 | O1 | 120.7° | 120.0° |
| C3 | C2 | C1 | 106.6° | 109.5° |
| C2 | C3 | O1 | 118.2° | 120.0° |
| C3 | C2 | H28 | 110.2° | 109.4° |
| C3 | C2 | H29 | 110.2° | 109.5° |
| C2 | C1 | C8 | 102.1° | 109.5° |
| C2 | C1 | H1 | 111.3° | 109.4° |
| C2 | C1 | H2 | 111.3° | 109.5° |
| C1 | C2 | H28 | 110.2° | 109.5° |
| C1 | C2 | H29 | 110.2° | 109.5° |
| N2 | N1 | C8 | 120.5° | 120.0° |
| N1 | N2 | H26 | 121.9° | 120.0° |
| N2 | N1 | H27 | 119.7° | 120.0° |
| N1 | C8 | O3 | 123.8° | 120.0° |
| N1 | C8 | C1 | 113.7° | 120.0° |
| C8 | N1 | H27 | 119.8° | 120.0° |
| O3 | C8 | C1 | 122.5° | 120.0° |
| C8 | C1 | H1 | 111.3° | 109.5° |
| C8 | C1 | H2 | 111.3° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H3 | C4 | H5 | 109.4° | 109.4° |
| H4 | C4 | H5 | 109.4° | 109.5° |
| H9 | C20 | H10 | 109.4° | 109.5° |
| H9 | C20 | H11 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.4° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.4° |
| H24 | C10 | H25 | 109.5° | 109.4° |
| H28 | C2 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H16 | 180.0° | 179.9° |
| C27 | C26 | C25 | H15 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C27 | C26 | C25 | C24 | 178.9° | 180.0° |
| C27 | C26 | C25 | C30 | 0.3° | 0.0° |
| C26 | C27 | C28 | H17 | 179.9° | 179.9° |
| C28 | C27 | C26 | C25 | 0.3° | 0.0° |
| C27 | C28 | C29 | H17 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.2° | 0.1° |
| C28 | C27 | C26 | H15 | 179.7° | 180.0° |
| C27 | C28 | C29 | H19 | 179.8° | 180.0° |
| C26 | C25 | C24 | C30 | 178.6° | 179.9° |
| C26 | C25 | C30 | C29 | 0.0° | 0.0° |
| C26 | C25 | C24 | C23 | 178.3° | 180.0° |
| C26 | C25 | C30 | C21 | 177.9° | 179.8° |
| C26 | C25 | C24 | H14 | 1.7° | 0.0° |
| C25 | C26 | C27 | H16 | 179.6° | 180.0° |
| C28 | C29 | C30 | C25 | 0.2° | 0.0° |
| C28 | C29 | C30 | H19 | 180.0° | 179.9° |
| C28 | C29 | C30 | C21 | 178.0° | 179.8° |
| C29 | C28 | C27 | H16 | 179.9° | 179.9° |
| C24 | C25 | C30 | C29 | 178.6° | 179.9° |
| C25 | C24 | C23 | H14 | 180.0° | 180.0° |
| C24 | C25 | C30 | C21 | 0.7° | 0.2° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | H13 | 179.8° | 180.0° |
| C24 | C25 | C26 | H15 | 1.1° | 0.0° |
| C25 | C30 | C29 | C21 | 177.8° | 179.8° |
| C30 | C25 | C24 | C23 | 0.3° | 0.0° |
| C25 | C30 | C21 | C22 | 1.1° | 0.5° |
| C25 | C30 | C21 | C19 | 178.1° | 179.7° |
| C30 | C25 | C24 | H14 | 179.7° | 180.0° |
| C30 | C25 | C26 | H15 | 179.7° | 180.0° |
| C25 | C30 | C29 | H19 | 179.7° | 180.0° |
| C29 | C30 | C21 | C22 | 178.9° | 179.7° |
| C29 | C30 | C21 | C19 | 0.3° | 0.1° |
| C30 | C29 | C28 | H17 | 179.8° | 180.0° |
| C24 | C23 | C22 | H13 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.6° | 0.3° |
| C24 | C23 | C22 | H12 | 179.4° | 180.0° |
| C30 | C21 | C22 | C23 | 1.1° | 0.5° |
| C30 | C21 | C22 | C19 | 179.2° | 179.8° |
| C30 | C21 | C19 | N3 | 131.0° | 152.2° |
| C30 | C21 | C19 | C20 | 106.4° | 87.8° |
| C30 | C21 | C19 | H8 | 11.5° | 32.2° |
| C30 | C21 | C22 | H12 | 178.9° | 179.8° |
| C21 | C30 | C29 | H19 | 2.0° | 0.2° |
| O5 | C18 | C17 | C16 | 118.7° | 174.2° |
| O5 | C18 | C17 | N3 | 179.5° | 180.0° |
| O5 | C18 | C17 | C12 | 60.6° | 5.7° |
| O5 | C18 | N3 | C19 | 12.2° | 0.0° |
| O5 | C18 | N3 | H18 | 167.8° | 180.0° |
| C16 | C15 | C14 | H7 | 180.0° | 179.7° |
| C15 | C16 | C17 | H20 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 2.3° | 0.3° |
| C15 | C16 | C17 | C18 | 179.5° | 179.9° |
| C15 | C16 | C17 | C12 | 0.2° | 0.0° |
| C16 | C15 | C14 | H21 | 177.7° | 180.0° |
| C14 | C15 | C16 | C17 | 1.4° | 0.3° |
| C15 | C14 | C13 | H21 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 1.9° | 0.0° |
| C15 | C14 | C13 | H6 | 178.1° | 180.0° |
| C14 | C15 | C16 | H20 | 178.6° | 180.0° |
| C16 | C17 | C18 | C12 | 179.3° | 179.9° |
| C16 | C17 | C18 | N3 | 60.8° | 5.8° |
| C16 | C17 | C12 | C13 | 0.2° | 0.2° |
| C16 | C17 | C12 | C11 | 179.4° | 180.0° |
| C17 | C16 | C15 | H7 | 178.6° | 180.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.7° |
| C23 | C22 | C21 | C19 | 178.1° | 179.7° |
| C22 | C23 | C24 | H14 | 179.8° | 180.0° |
| C14 | C13 | C12 | C17 | 0.6° | 0.2° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 179.8° | 179.9° |
| C13 | C14 | C15 | H7 | 177.7° | 180.0° |
| C22 | C21 | C19 | N3 | 49.8° | 27.6° |
| C22 | C21 | C19 | C20 | 72.8° | 92.4° |
| C22 | C21 | C19 | H8 | 169.2° | 147.6° |
| C21 | C22 | C23 | H13 | 179.4° | 179.7° |
| C21 | C19 | N3 | C18 | 95.5° | 157.1° |
| C21 | C19 | N3 | C20 | 124.5° | 120.0° |
| C21 | C19 | N3 | H8 | 119.0° | 120.0° |
| C21 | C19 | C20 | H8 | 118.1° | 120.0° |
| C21 | C19 | C20 | H9 | 180.0° | 60.0° |
| C21 | C19 | C20 | H10 | 60.0° | 60.0° |
| C21 | C19 | C20 | H11 | 60.0° | 180.0° |
| C19 | C21 | C22 | H12 | 1.9° | 0.0° |
| C21 | C19 | N3 | H18 | 84.5° | 22.9° |
| C18 | C17 | C12 | C13 | 179.1° | 179.8° |
| C18 | C17 | C12 | C11 | 1.3° | 0.1° |
| C17 | C18 | N3 | C19 | 167.3° | 180.0° |
| C17 | C18 | N3 | H18 | 12.7° | 0.0° |
| C18 | C17 | C16 | H20 | 0.5° | 0.2° |
| C12 | C17 | C18 | N3 | 119.9° | 174.3° |
| C17 | C12 | C13 | C11 | 179.6° | 179.7° |
| C17 | C12 | C11 | C10 | 177.0° | 77.7° |
| C17 | C12 | C13 | H6 | 179.4° | 179.8° |
| C12 | C17 | C16 | H20 | 179.8° | 179.7° |
| C17 | C12 | C11 | H22 | 62.6° | 162.2° |
| C17 | C12 | C11 | H23 | 56.6° | 42.3° |
| C18 | N3 | C19 | H18 | 180.0° | 180.0° |
| C18 | N3 | C19 | C20 | 140.1° | 82.9° |
| C18 | N3 | C19 | H8 | 23.6° | 37.1° |
| O4 | C9 | C10 | C11 | 75.2° | 0.0° |
| O4 | C9 | C10 | N2 | 178.1° | 180.0° |
| O4 | C9 | N2 | N1 | 4.0° | 0.0° |
| O4 | C9 | C10 | H24 | 164.7° | 120.0° |
| O4 | C9 | C10 | H25 | 44.9° | 120.0° |
| O4 | C9 | N2 | H26 | 176.0° | 180.0° |
| C13 | C12 | C11 | C10 | 2.6° | 102.0° |
| C12 | C13 | C14 | H21 | 178.1° | 179.7° |
| C13 | C12 | C11 | H22 | 117.8° | 18.0° |
| C13 | C12 | C11 | H23 | 123.0° | 138.0° |
| C12 | C11 | C10 | H22 | 120.3° | 120.1° |
| C12 | C11 | C10 | H23 | 120.4° | 120.0° |
| C12 | C11 | C10 | C9 | 172.7° | 180.0° |
| C11 | C12 | C13 | H6 | 0.2° | 0.0° |
| C12 | C11 | H22 | H23 | 118.9° | 120.0° |
| C12 | C11 | C10 | H24 | 52.7° | 60.0° |
| C12 | C11 | C10 | H25 | 67.2° | 59.9° |
| C11 | C10 | C9 | H24 | 120.0° | 120.0° |
| C11 | C10 | C9 | H25 | 120.1° | 120.0° |
| C11 | C10 | C9 | N2 | 106.7° | 180.0° |
| C10 | C11 | H22 | H23 | 118.9° | 119.9° |
| C11 | C10 | H24 | H25 | 119.8° | 120.0° |
| C10 | C9 | N2 | N1 | 174.0° | 180.0° |
| C9 | C10 | C11 | H22 | 66.9° | 59.9° |
| C9 | C10 | C11 | H23 | 52.3° | 60.0° |
| C9 | C10 | H24 | H25 | 119.8° | 120.0° |
| C10 | C9 | N2 | H26 | 6.0° | 0.0° |
| N3 | C19 | C20 | H8 | 117.2° | 120.0° |
| N3 | C19 | C20 | H9 | 55.3° | 180.0° |
| N3 | C19 | C20 | H10 | 175.3° | 60.0° |
| N3 | C19 | C20 | H11 | 64.7° | 60.0° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C19 | C20 | H9 | H11 | 120.0° | 120.0° |
| C19 | C20 | H10 | H11 | 120.0° | 120.0° |
| C20 | C19 | N3 | H18 | 39.9° | 97.1° |
| C9 | N2 | N1 | H26 | 180.0° | 180.0° |
| C9 | N2 | N1 | C8 | 120.0° | 180.0° |
| N2 | C9 | C10 | H24 | 13.4° | 60.0° |
| N2 | C9 | C10 | H25 | 133.2° | 60.0° |
| C9 | N2 | N1 | H27 | 60.0° | 0.0° |
| C4 | O2 | C3 | C2 | 146.5° | 179.9° |
| C4 | O2 | C3 | O1 | 34.0° | 0.0° |
| O2 | C4 | H3 | H4 | 120.0° | 120.0° |
| O2 | C4 | H3 | H5 | 120.0° | 120.0° |
| O2 | C4 | H4 | H5 | 120.0° | 120.0° |
| O2 | C3 | C2 | O1 | 179.5° | 180.0° |
| O2 | C3 | C2 | C1 | 135.0° | 180.0° |
| C3 | O2 | C4 | H3 | 180.0° | 180.0° |
| C3 | O2 | C4 | H4 | 60.0° | 60.0° |
| C3 | O2 | C4 | H5 | 60.0° | 60.0° |
| O2 | C3 | C2 | H28 | 15.4° | 60.0° |
| O2 | C3 | C2 | H29 | 105.5° | 60.0° |
| C3 | C2 | C1 | H28 | 119.6° | 120.0° |
| C3 | C2 | C1 | H29 | 119.5° | 120.1° |
| C3 | C2 | C1 | C8 | 152.0° | 180.0° |
| C3 | C2 | C1 | H1 | 33.2° | 60.0° |
| C3 | C2 | C1 | H2 | 89.2° | 59.9° |
| C3 | C2 | H28 | H29 | 121.4° | 120.0° |
| C2 | C1 | C8 | N1 | 92.0° | 179.9° |
| C1 | C2 | C3 | O1 | 45.5° | 0.1° |
| C2 | C1 | C8 | O3 | 89.3° | 0.0° |
| C2 | C1 | C8 | H1 | 118.8° | 120.0° |
| C2 | C1 | C8 | H2 | 118.8° | 120.1° |
| C2 | C1 | H1 | H2 | 123.4° | 120.0° |
| C1 | C2 | H28 | H29 | 121.3° | 120.0° |
| N2 | N1 | C8 | H27 | 180.0° | 180.0° |
| N2 | N1 | C8 | O3 | 2.1° | 0.0° |
| N2 | N1 | C8 | C1 | 176.6° | 180.0° |
| N1 | C8 | O3 | C1 | 178.6° | 180.0° |
| N1 | C8 | C1 | H1 | 149.2° | 60.0° |
| N1 | C8 | C1 | H2 | 26.8° | 60.0° |
| C8 | N1 | N2 | H26 | 60.0° | 0.0° |
| O1 | C3 | C2 | H28 | 165.0° | 120.0° |
| O1 | C3 | C2 | H29 | 74.0° | 120.0° |
| O3 | C8 | C1 | H1 | 29.5° | 120.0° |
| O3 | C8 | C1 | H2 | 151.9° | 120.1° |
| O3 | C8 | N1 | H27 | 177.9° | 180.0° |
| C8 | C1 | H1 | H2 | 123.4° | 120.0° |
| C1 | C8 | N1 | H27 | 3.4° | 0.0° |
| C8 | C1 | C2 | H28 | 88.4° | 60.0° |
| C8 | C1 | C2 | H29 | 32.4° | 60.0° |
| H1 | C1 | C2 | H28 | 152.7° | 180.0° |
| H1 | C1 | C2 | H29 | 86.4° | 60.0° |
| H2 | C1 | C2 | H28 | 30.3° | 60.0° |
| H2 | C1 | C2 | H29 | 151.2° | 180.0° |
| H3 | C4 | H4 | H5 | 119.9° | 120.0° |
| H6 | C13 | C14 | H21 | 1.9° | 0.3° |
| H7 | C15 | C16 | H20 | 1.4° | 0.3° |
| H7 | C15 | C14 | H21 | 2.3° | 0.3° |
| H8 | C19 | C20 | H9 | 61.9° | 60.0° |
| H8 | C19 | C20 | H10 | 58.1° | 180.0° |
| H8 | C19 | C20 | H11 | 178.1° | 60.0° |
| H8 | C19 | N3 | H18 | 156.4° | 142.9° |
| H9 | C20 | H10 | H11 | 120.0° | 120.1° |
| H12 | C22 | C23 | H13 | 0.6° | 0.0° |
| H13 | C23 | C24 | H14 | 0.2° | 0.0° |
| H15 | C26 | C27 | H16 | 0.3° | 0.0° |
| H16 | C27 | C28 | H17 | 0.1° | 0.0° |
| H17 | C28 | C29 | H19 | 0.2° | 0.1° |
| H22 | C11 | C10 | H24 | 173.0° | 60.1° |
| H22 | C11 | C10 | H25 | 53.1° | 180.0° |
| H23 | C11 | C10 | H24 | 67.7° | 180.0° |
| H23 | C11 | C10 | H25 | 172.4° | 60.1° |
| H26 | N2 | N1 | H27 | 120.0° | 180.0° |
