9KG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C9 | doub | 1.22Å | 1.23Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | N1 | sing | 1.35Å | 1.38Å | |
| C9 | N2 | sing | 1.35Å | 1.37Å | |
| C7 | O2 | sing | 1.43Å | 1.42Å | |
| N1 | C12 | sing | 1.37Å | 1.37Å | |
| N2 | C10 | sing | 1.35Å | 1.36Å | |
| C12 | C11 | doub | 1.35Å | 1.35Å | |
| O2 | C2 | sing | 1.36Å | 1.38Å | |
| C10 | C11 | sing | 1.42Å | 1.45Å | |
| C10 | O4 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| O1 | C13 | sing | 1.36Å | 1.37Å | |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | N3 | sing | 1.46Å | 1.47Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C17 | N3 | sing | 1.40Å | 1.42Å | |
| C17 | C16 | doub | 1.41Å | 1.44Å | Aromatic |
| N3 | C25 | sing | 1.35Å | 1.37Å | |
| O5 | C25 | doub | 1.22Å | 1.24Å | |
| C15 | C16 | sing | 1.42Å | 1.43Å | Aromatic |
| C15 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.47Å | 1.45Å | |
| C16 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C28 | doub | 1.33Å | 1.35Å | |
| C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.43Å | 1.46Å | |
| C23 | N4 | trip | 1.14Å | 1.16Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | 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 | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C9 | N1 | 125.4° | 119.6° |
| O3 | C9 | N2 | 120.2° | 119.5° |
| C7 | C8 | N1 | 110.5° | 109.5° |
| C8 | C7 | O2 | 108.9° | 109.5° |
| C8 | C7 | H4 | 109.6° | 109.5° |
| C8 | C7 | H5 | 109.6° | 109.5° |
| C7 | C8 | H23 | 109.2° | 109.5° |
| C7 | C8 | H24 | 109.2° | 109.5° |
| C8 | N1 | C9 | 117.0° | 119.7° |
| C8 | N1 | C12 | 122.8° | 119.7° |
| N1 | C8 | H23 | 109.2° | 109.5° |
| N1 | C8 | H24 | 109.2° | 109.4° |
| N1 | C9 | N2 | 114.3° | 120.9° |
| C9 | N1 | C12 | 120.2° | 120.6° |
| C9 | N2 | C10 | 129.5° | 120.3° |
| C9 | N2 | H1 | 115.3° | 119.8° |
| C7 | O2 | C2 | 123.0° | 117.0° |
| O2 | C7 | H4 | 109.6° | 109.4° |
| O2 | C7 | H5 | 109.6° | 109.5° |
| N1 | C12 | C11 | 123.9° | 119.7° |
| N1 | C12 | H8 | 118.0° | 120.1° |
| N2 | C10 | C11 | 113.2° | 119.4° |
| N2 | C10 | O4 | 122.6° | 120.3° |
| C10 | N2 | H1 | 115.2° | 119.9° |
| C12 | C11 | C10 | 118.9° | 119.1° |
| C12 | C11 | H7 | 120.6° | 120.4° |
| C11 | C12 | H8 | 118.0° | 120.2° |
| O2 | C2 | C1 | 116.4° | 120.0° |
| O2 | C2 | C3 | 123.5° | 120.1° |
| C11 | C10 | O4 | 124.3° | 120.3° |
| C10 | C11 | H7 | 120.6° | 120.5° |
| C2 | C1 | C6 | 120.7° | 120.0° |
| C1 | C2 | C3 | 120.1° | 119.9° |
| C2 | C1 | H6 | 119.6° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.1° |
| C1 | C6 | H3 | 120.2° | 119.9° |
| C6 | C1 | H6 | 119.6° | 120.0° |
| C2 | C3 | O1 | 114.7° | 120.1° |
| C2 | C3 | C4 | 118.9° | 119.9° |
| C6 | C5 | C4 | 120.4° | 120.2° |
| C5 | C6 | H3 | 120.2° | 120.0° |
| C6 | C5 | H22 | 119.8° | 119.9° |
| O1 | C3 | C4 | 126.4° | 120.0° |
| C3 | O1 | C13 | 129.5° | 118.0° |
| C3 | C4 | C5 | 120.3° | 119.9° |
| C3 | C4 | H2 | 119.9° | 120.0° |
| O1 | C13 | C18 | 120.8° | 119.6° |
| O1 | C13 | C14 | 118.3° | 119.6° |
| C5 | C4 | H2 | 119.8° | 120.0° |
| C4 | C5 | H22 | 119.8° | 119.9° |
| C18 | C13 | C14 | 120.8° | 120.7° |
| C13 | C18 | C17 | 120.9° | 120.7° |
| C13 | C18 | H9 | 119.5° | 119.6° |
| C13 | C14 | C24 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.4° | 119.9° |
| C27 | N3 | C17 | 113.6° | 120.0° |
| C27 | N3 | C25 | 122.4° | 120.0° |
| N3 | C27 | H17 | 109.5° | 109.5° |
| N3 | C27 | H18 | 109.5° | 109.5° |
| N3 | C27 | H19 | 109.5° | 109.5° |
| C18 | C17 | N3 | 118.7° | 120.1° |
| C18 | C17 | C16 | 119.7° | 119.7° |
| C17 | C18 | H9 | 119.6° | 119.7° |
| C24 | C14 | C15 | 119.5° | 120.1° |
| C14 | C24 | H13 | 109.5° | 109.4° |
| C14 | C24 | H14 | 109.5° | 109.4° |
| C14 | C24 | H15 | 109.5° | 109.4° |
| C14 | C15 | C16 | 119.0° | 119.6° |
| C14 | C15 | C19 | 121.8° | 121.0° |
| N3 | C17 | C16 | 121.6° | 120.2° |
| C17 | N3 | C25 | 124.0° | 120.0° |
| C17 | C16 | C15 | 119.2° | 119.4° |
| C17 | C16 | C22 | 123.0° | 120.9° |
| N3 | C25 | O5 | 121.3° | 120.0° |
| N3 | C25 | C26 | 119.1° | 120.0° |
| O5 | C25 | C26 | 119.6° | 119.9° |
| C16 | C15 | C19 | 119.2° | 119.5° |
| C15 | C16 | C22 | 117.8° | 119.7° |
| C15 | C19 | C20 | 121.3° | 119.5° |
| C15 | C19 | H10 | 119.4° | 120.3° |
| C25 | C26 | C28 | 121.9° | 120.0° |
| C25 | C26 | H16 | 119.1° | 120.0° |
| C16 | C22 | C21 | 121.1° | 120.1° |
| C16 | C22 | H12 | 119.5° | 119.9° |
| C19 | C20 | C21 | 119.3° | 120.5° |
| C19 | C20 | C23 | 120.1° | 119.8° |
| C20 | C19 | H10 | 119.3° | 120.3° |
| C28 | C26 | H16 | 119.1° | 120.0° |
| C26 | C28 | H20 | 120.0° | 120.0° |
| C26 | C28 | H21 | 120.0° | 120.0° |
| C22 | C21 | C20 | 121.3° | 120.8° |
| C22 | C21 | H11 | 119.4° | 119.6° |
| C21 | C22 | H12 | 119.5° | 120.0° |
| C21 | C20 | C23 | 120.6° | 119.8° |
| C20 | C21 | H11 | 119.3° | 119.6° |
| C20 | C23 | N4 | 179.8° | 180.0° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H13 | C24 | H15 | 109.4° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.6° |
| H17 | C27 | H18 | 109.4° | 109.5° |
| H17 | C27 | H19 | 109.4° | 109.4° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H20 | C28 | H21 | 120.0° | 120.0° |
| H23 | C8 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C9 | N1 | C8 | 0.7° | 0.3° |
| O3 | C9 | N1 | N2 | 179.8° | 179.9° |
| O3 | C9 | N1 | C12 | 179.8° | 180.0° |
| O3 | C9 | N2 | C10 | 180.0° | 180.0° |
| O3 | C9 | N2 | H1 | 0.0° | 0.1° |
| C7 | C8 | N1 | H23 | 120.1° | 120.0° |
| C7 | C8 | N1 | H24 | 120.2° | 120.0° |
| C7 | C8 | N1 | C9 | 76.4° | 89.7° |
| C8 | C7 | O2 | H4 | 119.9° | 120.0° |
| C8 | C7 | O2 | H5 | 119.9° | 120.0° |
| C7 | C8 | N1 | C12 | 102.6° | 90.0° |
| C8 | C7 | O2 | C2 | 145.0° | 180.0° |
| C8 | C7 | H4 | H5 | 120.2° | 120.0° |
| C7 | C8 | H23 | H24 | 119.5° | 120.0° |
| C8 | N1 | C9 | C12 | 179.0° | 179.7° |
| C8 | N1 | C9 | N2 | 179.4° | 179.7° |
| N1 | C8 | C7 | O2 | 80.3° | 65.1° |
| C8 | N1 | C12 | C11 | 179.5° | 179.7° |
| N1 | C8 | C7 | H4 | 39.6° | 175.0° |
| N1 | C8 | C7 | H5 | 159.8° | 55.0° |
| C8 | N1 | C12 | H8 | 0.5° | 0.2° |
| N1 | C8 | H23 | H24 | 119.5° | 120.0° |
| N1 | C9 | N2 | C10 | 0.2° | 0.1° |
| C9 | N1 | C12 | C11 | 0.5° | 0.0° |
| N1 | C9 | N2 | H1 | 179.8° | 180.0° |
| C9 | N1 | C12 | H8 | 179.5° | 179.9° |
| C9 | N1 | C8 | H23 | 163.5° | 30.3° |
| C9 | N1 | C8 | H24 | 43.7° | 150.3° |
| N2 | C9 | N1 | C12 | 0.4° | 0.0° |
| C9 | N2 | C10 | H1 | 180.0° | 179.9° |
| C9 | N2 | C10 | C11 | 0.1° | 0.1° |
| C9 | N2 | C10 | O4 | 179.9° | 180.0° |
| C7 | O2 | C2 | C1 | 43.3° | 0.2° |
| C7 | O2 | C2 | C3 | 137.5° | 180.0° |
| O2 | C7 | H4 | H5 | 120.3° | 120.0° |
| O2 | C7 | C8 | H23 | 39.9° | 55.0° |
| O2 | C7 | C8 | H24 | 159.6° | 175.0° |
| N1 | C12 | C11 | H8 | 180.0° | 179.9° |
| N1 | C12 | C11 | C10 | 0.3° | 0.0° |
| N1 | C12 | C11 | H7 | 179.7° | 179.9° |
| C12 | N1 | C8 | H23 | 17.5° | 150.0° |
| C12 | N1 | C8 | H24 | 137.2° | 30.0° |
| N2 | C10 | C11 | C12 | 0.1° | 0.1° |
| N2 | C10 | C11 | O4 | 179.9° | 179.9° |
| N2 | C10 | C11 | H7 | 179.9° | 180.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | O4 | 179.9° | 180.0° |
| O2 | C2 | C1 | C3 | 179.2° | 179.8° |
| O2 | C2 | C1 | C6 | 179.7° | 179.8° |
| O2 | C2 | C3 | O1 | 1.4° | 0.2° |
| O2 | C2 | C3 | C4 | 179.9° | 179.7° |
| C2 | O2 | C7 | H4 | 25.1° | 60.0° |
| C2 | O2 | C7 | H5 | 95.1° | 60.0° |
| O2 | C2 | C1 | H6 | 0.3° | 0.3° |
| C11 | C10 | N2 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | H8 | 179.7° | 179.9° |
| O4 | C10 | N2 | H1 | 0.1° | 0.1° |
| O4 | C10 | C11 | H7 | 0.1° | 0.1° |
| C2 | C1 | C6 | H6 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | O1 | 179.5° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | H22 | 180.0° | 179.9° |
| C2 | C3 | O1 | C4 | 178.4° | 179.9° |
| C2 | C3 | O1 | C13 | 140.4° | 86.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C2 | C3 | C4 | H2 | 179.1° | 180.0° |
| C3 | C2 | C1 | H6 | 179.5° | 179.9° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | H22 | 180.0° | 179.9° |
| C6 | C5 | C4 | H2 | 179.5° | 180.0° |
| C5 | C6 | C1 | H6 | 179.9° | 180.0° |
| O1 | C3 | C4 | C5 | 179.3° | 180.0° |
| C3 | O1 | C13 | C18 | 63.6° | 1.9° |
| C3 | O1 | C13 | C14 | 118.6° | 178.4° |
| O1 | C3 | C4 | H2 | 0.7° | 0.1° |
| C4 | C3 | O1 | C13 | 41.2° | 94.1° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H22 | 179.5° | 180.0° |
| O1 | C13 | C18 | C14 | 177.8° | 179.7° |
| O1 | C13 | C18 | C17 | 179.4° | 179.7° |
| O1 | C13 | C14 | C24 | 1.6° | 0.3° |
| O1 | C13 | C14 | C15 | 178.9° | 179.7° |
| O1 | C13 | C18 | H9 | 0.6° | 0.3° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C13 | C18 | C17 | H9 | 180.0° | 180.0° |
| C18 | C13 | C14 | C24 | 179.4° | 180.0° |
| C18 | C13 | C14 | C15 | 1.1° | 0.0° |
| C13 | C18 | C17 | N3 | 179.6° | 180.0° |
| C13 | C18 | C17 | C16 | 1.5° | 0.0° |
| C14 | C13 | C18 | C17 | 1.6° | 0.0° |
| C13 | C14 | C24 | C15 | 179.6° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | C19 | 179.6° | 180.0° |
| C14 | C13 | C18 | H9 | 178.4° | 180.0° |
| C13 | C14 | C24 | H13 | 89.8° | 90.0° |
| C13 | C14 | C24 | H14 | 150.2° | 150.0° |
| C13 | C14 | C24 | H15 | 30.2° | 30.0° |
| C27 | N3 | C17 | C18 | 82.4° | 90.0° |
| C27 | N3 | C17 | C25 | 179.5° | 179.9° |
| C27 | N3 | C17 | C16 | 95.6° | 90.0° |
| C27 | N3 | C25 | O5 | 0.3° | 180.0° |
| C27 | N3 | C25 | C26 | 180.0° | 0.0° |
| N3 | C27 | H17 | H18 | 120.0° | 120.0° |
| N3 | C27 | H17 | H19 | 120.0° | 120.0° |
| N3 | C27 | H18 | H19 | 120.0° | 120.0° |
| C18 | C17 | N3 | C16 | 178.0° | 180.0° |
| C18 | C17 | N3 | C25 | 98.1° | 90.0° |
| C18 | C17 | C16 | C15 | 1.0° | 0.0° |
| C18 | C17 | C16 | C22 | 179.5° | 179.9° |
| C24 | C14 | C15 | C16 | 179.9° | 180.0° |
| C24 | C14 | C15 | C19 | 0.0° | 0.0° |
| C14 | C24 | H13 | H14 | 120.0° | 119.9° |
| C14 | C24 | H13 | H15 | 120.0° | 119.9° |
| C14 | C24 | H14 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C14 | C15 | C16 | C19 | 179.9° | 180.0° |
| C14 | C15 | C16 | C22 | 180.0° | 179.9° |
| C14 | C15 | C19 | C20 | 179.9° | 180.0° |
| C14 | C15 | C19 | H10 | 0.1° | 0.0° |
| C15 | C14 | C24 | H13 | 89.8° | 90.0° |
| C15 | C14 | C24 | H14 | 30.2° | 30.0° |
| C15 | C14 | C24 | H15 | 150.2° | 150.0° |
| C17 | N3 | C25 | O5 | 179.8° | 0.1° |
| N3 | C17 | C16 | C15 | 178.9° | 180.0° |
| C17 | N3 | C25 | C26 | 0.5° | 180.0° |
| N3 | C17 | C16 | C22 | 1.6° | 0.1° |
| N3 | C17 | C18 | H9 | 0.5° | 0.0° |
| C17 | N3 | C27 | H17 | 180.0° | 90.0° |
| C17 | N3 | C27 | H18 | 60.0° | 30.1° |
| C17 | N3 | C27 | H19 | 60.0° | 150.0° |
| C16 | C17 | N3 | C25 | 83.9° | 90.0° |
| C17 | C16 | C15 | C22 | 179.5° | 179.9° |
| C17 | C16 | C15 | C19 | 179.6° | 180.0° |
| C17 | C16 | C22 | C21 | 179.2° | 180.0° |
| C16 | C17 | C18 | H9 | 178.5° | 180.0° |
| C17 | C16 | C22 | H12 | 0.8° | 0.1° |
| N3 | C25 | O5 | C26 | 179.7° | 180.0° |
| N3 | C25 | C26 | C28 | 176.9° | 180.0° |
| N3 | C25 | C26 | H16 | 3.1° | 0.0° |
| C25 | N3 | C27 | H17 | 0.5° | 89.9° |
| C25 | N3 | C27 | H18 | 120.5° | 150.0° |
| C25 | N3 | C27 | H19 | 119.5° | 30.0° |
| O5 | C25 | C26 | C28 | 2.8° | 0.0° |
| O5 | C25 | C26 | H16 | 177.2° | 179.9° |
| C16 | C15 | C19 | C20 | 0.2° | 0.0° |
| C15 | C16 | C22 | C21 | 0.3° | 0.1° |
| C16 | C15 | C19 | H10 | 179.8° | 180.0° |
| C15 | C16 | C22 | H12 | 179.7° | 180.0° |
| C19 | C15 | C16 | C22 | 0.1° | 0.1° |
| C15 | C19 | C20 | H10 | 180.0° | 179.9° |
| C15 | C19 | C20 | C21 | 0.1° | 0.0° |
| C15 | C19 | C20 | C23 | 179.9° | 180.0° |
| C25 | C26 | C28 | H16 | 180.0° | 180.0° |
| C25 | C26 | C28 | H20 | 180.0° | 180.0° |
| C25 | C26 | C28 | H21 | 0.0° | 0.0° |
| C16 | C22 | C21 | H12 | 180.0° | 179.9° |
| C16 | C22 | C21 | C20 | 0.6° | 0.0° |
| C16 | C22 | C21 | H11 | 179.4° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C19 | C20 | C21 | C23 | 179.8° | 179.9° |
| C19 | C20 | C23 | N4 | 15.4° | 171.3° |
| C19 | C20 | C21 | H11 | 179.6° | 179.9° |
| C26 | C28 | H20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | H11 | 180.0° | 179.9° |
| C22 | C21 | C20 | C23 | 179.7° | 179.9° |
| C21 | C20 | C23 | N4 | 164.4° | 8.8° |
| C21 | C20 | C19 | H10 | 179.9° | 179.9° |
| C20 | C21 | C22 | H12 | 179.4° | 179.9° |
| C23 | C20 | C19 | H10 | 0.1° | 0.0° |
| C23 | C20 | C21 | H11 | 0.3° | 0.0° |
| H2 | C4 | C5 | H22 | 0.5° | 0.1° |
| H3 | C6 | C1 | H6 | 0.1° | 0.1° |
| H3 | C6 | C5 | H22 | 0.0° | 0.0° |
| H4 | C7 | C8 | H23 | 159.8° | 65.0° |
| H4 | C7 | C8 | H24 | 80.5° | 55.0° |
| H5 | C7 | C8 | H23 | 80.1° | 175.0° |
| H5 | C7 | C8 | H24 | 39.6° | 65.0° |
| H7 | C11 | C12 | H8 | 0.3° | 0.0° |
| H11 | C21 | C22 | H12 | 0.6° | 0.1° |
| H13 | C24 | H14 | H15 | 120.0° | 120.1° |
| H16 | C26 | C28 | H20 | 0.0° | 0.1° |
| H16 | C26 | C28 | H21 | 180.0° | 180.0° |
| H17 | C27 | H18 | H19 | 120.0° | 120.0° |
