K3W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| O4 | C21 | doub | 1.21Å | 1.22Å | |
| C18 | N3 | sing | 1.47Å | 1.49Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | N3 | sing | 1.35Å | 1.40Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| N3 | N2 | sing | 1.40Å | 1.37Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.52Å | 1.54Å | |
| C23 | C24 | sing | 1.50Å | 1.49Å | |
| C22 | C27 | sing | 1.53Å | 1.55Å | |
| C2 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C17 | doub | 1.30Å | 1.29Å | |
| C28 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.29Å | 1.32Å | |
| C6 | N1 | sing | 1.40Å | 1.43Å | |
| N1 | C7 | sing | 1.35Å | 1.39Å | |
| C17 | C27 | sing | 1.52Å | 1.55Å | |
| C17 | C15 | sing | 1.48Å | 1.49Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.49Å | 1.50Å | |
| C7 | C8 | sing | 1.43Å | 1.43Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | trip | 1.17Å | 1.22Å | |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.43Å | 1.45Å | |
| C10 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C12 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | H27 | sing | 1.08Å | 1.08Å | |
| C5 | H28 | sing | 1.08Å | 1.08Å | |
| N1 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | N3 | 109.4° | 109.5° |
| C19 | C18 | C20 | 113.6° | 109.5° |
| C19 | C18 | H10 | 107.4° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| O4 | C21 | N3 | 120.8° | 121.0° |
| O4 | C21 | C22 | 122.1° | 121.0° |
| N3 | C18 | C20 | 111.0° | 109.4° |
| C18 | N3 | C21 | 120.5° | 120.1° |
| C18 | N3 | N2 | 115.7° | 120.2° |
| N3 | C18 | H10 | 107.8° | 109.5° |
| C20 | C18 | H10 | 107.3° | 109.5° |
| C18 | C20 | H14 | 109.5° | 109.5° |
| C18 | C20 | H15 | 109.5° | 109.4° |
| C18 | C20 | H16 | 109.5° | 109.5° |
| N3 | C21 | C22 | 117.1° | 118.0° |
| C21 | N3 | N2 | 123.9° | 119.7° |
| C21 | C22 | C23 | 114.8° | 112.1° |
| C21 | C22 | C27 | 106.6° | 108.3° |
| C21 | C22 | H17 | 107.6° | 108.7° |
| N3 | N2 | C17 | 116.7° | 121.3° |
| C1 | O1 | C2 | 120.0° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C2 | C3 | 111.9° | 120.0° |
| O1 | C2 | C28 | 128.0° | 120.0° |
| C2 | C3 | C4 | 119.2° | 120.1° |
| C3 | C2 | C28 | 120.1° | 119.9° |
| C2 | C3 | H26 | 120.4° | 119.9° |
| C3 | C4 | C5 | 121.3° | 120.2° |
| C4 | C3 | H26 | 120.4° | 120.0° |
| C3 | C4 | H27 | 119.4° | 119.9° |
| C22 | C23 | C24 | 112.4° | 111.4° |
| C23 | C22 | C27 | 113.0° | 110.6° |
| C23 | C22 | H17 | 107.3° | 108.0° |
| C22 | C23 | H18 | 108.7° | 109.1° |
| C22 | C23 | H19 | 108.7° | 109.1° |
| C23 | C24 | C25 | 123.3° | 123.7° |
| C24 | C23 | H18 | 108.7° | 109.1° |
| C24 | C23 | H19 | 108.7° | 109.2° |
| C23 | C24 | H20 | 118.4° | 118.2° |
| C22 | C27 | C17 | 108.1° | 106.9° |
| C22 | C27 | C26 | 110.5° | 108.7° |
| C27 | C22 | H17 | 107.1° | 109.1° |
| C22 | C27 | H24 | 107.8° | 111.0° |
| C2 | C28 | C6 | 120.2° | 119.9° |
| C2 | C28 | H25 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | H27 | 119.3° | 119.9° |
| C4 | C5 | H28 | 119.9° | 120.0° |
| N2 | C17 | C27 | 123.1° | 119.2° |
| N2 | C17 | C15 | 116.2° | 120.4° |
| C28 | C6 | C5 | 119.0° | 119.9° |
| C28 | C6 | N1 | 123.0° | 120.0° |
| C6 | C28 | H25 | 119.9° | 120.1° |
| C5 | C6 | N1 | 117.9° | 120.1° |
| C6 | C5 | H28 | 119.9° | 120.0° |
| C24 | C25 | C26 | 124.4° | 124.5° |
| C25 | C24 | H20 | 118.3° | 118.1° |
| C24 | C25 | H21 | 117.8° | 117.8° |
| C6 | N1 | C7 | 131.2° | 120.0° |
| C6 | N1 | H29 | 114.4° | 120.0° |
| N1 | C7 | C8 | 118.3° | 120.0° |
| N1 | C7 | O2 | 123.7° | 120.0° |
| C7 | N1 | H29 | 114.4° | 120.0° |
| C27 | C17 | C15 | 120.6° | 120.4° |
| C17 | C27 | C26 | 114.4° | 107.1° |
| C17 | C27 | H24 | 107.9° | 111.1° |
| C17 | C15 | C16 | 117.7° | 120.0° |
| C17 | C15 | C14 | 122.9° | 120.0° |
| C27 | C26 | C25 | 114.5° | 111.0° |
| C27 | C26 | H22 | 108.2° | 110.1° |
| C27 | C26 | H23 | 108.2° | 108.3° |
| C26 | C27 | H24 | 107.9° | 111.8° |
| C26 | C25 | H21 | 117.8° | 117.7° |
| C25 | C26 | H22 | 108.2° | 109.1° |
| C25 | C26 | H23 | 108.2° | 109.1° |
| C8 | C7 | O2 | 117.9° | 120.0° |
| C7 | C8 | C9 | 165.4° | 180.0° |
| C15 | C16 | C10 | 121.1° | 119.7° |
| C16 | C15 | C14 | 119.4° | 120.0° |
| C15 | C16 | H9 | 119.5° | 120.2° |
| C16 | C10 | C9 | 119.5° | 120.2° |
| C16 | C10 | C11 | 118.7° | 119.7° |
| C10 | C16 | H9 | 119.5° | 120.1° |
| C8 | C9 | C10 | 167.8° | 180.0° |
| C15 | C14 | C13 | 120.4° | 120.3° |
| C15 | C14 | H8 | 119.8° | 119.9° |
| C9 | C10 | C11 | 121.7° | 120.1° |
| C10 | C11 | C13 | 119.7° | 119.9° |
| C10 | C11 | O3 | 116.9° | 120.0° |
| C14 | C13 | C11 | 120.7° | 120.3° |
| C14 | C13 | H7 | 119.6° | 119.9° |
| C13 | C14 | H8 | 119.8° | 119.9° |
| C13 | C11 | O3 | 123.3° | 120.0° |
| C11 | C13 | H7 | 119.6° | 119.8° |
| C11 | O3 | C12 | 117.1° | 117.0° |
| O3 | C12 | H4 | 109.5° | 109.5° |
| O3 | C12 | H5 | 109.5° | 109.5° |
| O3 | C12 | H6 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H4 | C12 | H6 | 109.4° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.0° |
| H22 | C26 | H23 | 109.4° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | N3 | C20 | 126.1° | 119.9° |
| C19 | C18 | N3 | H10 | 116.5° | 120.0° |
| C19 | C18 | C20 | H10 | 118.6° | 120.1° |
| C19 | C18 | N3 | C21 | 108.2° | 120.0° |
| C19 | C18 | N3 | N2 | 71.7° | 60.0° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| C18 | C19 | H11 | H13 | 120.0° | 120.1° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C19 | C18 | C20 | H14 | 180.0° | 180.0° |
| C19 | C18 | C20 | H15 | 60.0° | 60.0° |
| C19 | C18 | C20 | H16 | 60.0° | 59.9° |
| O4 | C21 | N3 | C18 | 2.6° | 3.9° |
| O4 | C21 | N3 | C22 | 177.3° | 179.9° |
| O4 | C21 | N3 | N2 | 177.5° | 176.1° |
| O4 | C21 | C22 | C23 | 12.3° | 21.2° |
| O4 | C21 | C22 | C27 | 138.3° | 143.5° |
| O4 | C21 | C22 | H17 | 107.1° | 98.1° |
| N3 | C18 | C20 | H10 | 117.6° | 120.0° |
| C18 | N3 | C21 | N2 | 179.9° | 180.0° |
| C18 | N3 | C21 | C22 | 179.9° | 176.3° |
| C18 | N3 | N2 | C17 | 154.6° | 154.9° |
| N3 | C18 | C19 | H11 | 180.0° | 60.0° |
| N3 | C18 | C19 | H12 | 60.0° | 180.0° |
| N3 | C18 | C19 | H13 | 60.0° | 60.1° |
| N3 | C18 | C20 | H14 | 56.2° | 60.1° |
| N3 | C18 | C20 | H15 | 63.8° | 180.0° |
| N3 | C18 | C20 | H16 | 176.2° | 60.0° |
| C20 | C18 | N3 | C21 | 125.7° | 120.0° |
| C20 | C18 | N3 | N2 | 54.4° | 60.0° |
| C20 | C18 | C19 | H11 | 55.3° | 60.0° |
| C20 | C18 | C19 | H12 | 64.7° | 60.1° |
| C20 | C18 | C19 | H13 | 175.3° | 180.0° |
| C18 | C20 | H14 | H15 | 120.0° | 119.9° |
| C18 | C20 | H14 | H16 | 120.0° | 120.1° |
| C18 | C20 | H15 | H16 | 120.0° | 120.0° |
| N3 | C21 | C22 | C23 | 165.0° | 158.9° |
| N3 | C21 | C22 | C27 | 39.0° | 36.6° |
| C21 | N3 | N2 | C17 | 25.5° | 25.1° |
| C21 | N3 | C18 | H10 | 8.4° | 0.0° |
| N3 | C21 | C22 | H17 | 75.7° | 81.8° |
| C22 | C21 | N3 | N2 | 0.2° | 3.8° |
| C21 | C22 | C23 | C27 | 122.6° | 121.0° |
| C21 | C22 | C23 | H17 | 119.5° | 119.7° |
| C21 | C22 | C23 | C24 | 77.9° | 75.4° |
| C21 | C22 | C27 | H17 | 115.0° | 118.2° |
| C21 | C22 | C27 | C17 | 51.8° | 55.2° |
| C21 | C22 | C27 | C26 | 74.1° | 60.2° |
| C21 | C22 | C23 | H18 | 42.5° | 45.1° |
| C21 | C22 | C23 | H19 | 161.7° | 164.0° |
| C21 | C22 | C27 | H24 | 168.1° | 176.5° |
| N3 | N2 | C17 | C27 | 6.3° | 0.6° |
| N3 | N2 | C17 | C15 | 176.0° | 179.2° |
| N2 | N3 | C18 | H10 | 171.7° | 180.0° |
| C1 | O1 | C2 | C3 | 158.6° | 0.2° |
| C1 | O1 | C2 | C28 | 22.6° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.1° |
| O1 | C1 | H1 | H3 | 120.0° | 119.9° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C2 | C3 | C28 | 178.9° | 179.8° |
| O1 | C2 | C3 | C4 | 179.3° | 179.7° |
| O1 | C2 | C28 | C6 | 177.9° | 179.8° |
| C2 | O1 | C1 | H1 | 180.0° | 60.1° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C28 | H25 | 2.1° | 0.3° |
| O1 | C2 | C3 | H26 | 0.7° | 0.2° |
| C2 | C3 | C4 | H26 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.1° | 0.1° |
| C3 | C2 | C28 | C6 | 0.8° | 0.0° |
| C3 | C2 | C28 | H25 | 179.2° | 179.9° |
| C2 | C3 | C4 | H27 | 178.9° | 180.0° |
| C4 | C3 | C2 | C28 | 0.4° | 0.1° |
| C3 | C4 | C5 | H27 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C5 | H28 | 179.3° | 180.0° |
| C22 | C23 | C24 | H18 | 120.4° | 120.5° |
| C22 | C23 | C24 | H19 | 120.4° | 120.5° |
| C23 | C22 | C27 | H17 | 118.0° | 118.7° |
| C22 | C23 | C24 | C25 | 21.4° | 15.4° |
| C23 | C22 | C27 | C17 | 178.8° | 178.3° |
| C23 | C22 | C27 | C26 | 52.9° | 63.0° |
| C22 | C23 | H18 | H19 | 118.7° | 119.1° |
| C22 | C23 | C24 | H20 | 158.6° | 164.6° |
| C23 | C22 | C27 | H24 | 64.8° | 60.4° |
| C24 | C23 | C22 | C27 | 44.7° | 45.6° |
| C23 | C24 | C25 | H20 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 6.4° | 1.8° |
| C24 | C23 | C22 | H17 | 162.6° | 164.9° |
| C24 | C23 | H18 | H19 | 118.7° | 119.1° |
| C23 | C24 | C25 | H21 | 173.6° | 179.0° |
| C22 | C27 | C17 | N2 | 33.2° | 39.7° |
| C22 | C27 | C17 | C26 | 123.6° | 116.4° |
| C22 | C27 | C17 | H24 | 116.3° | 121.3° |
| C22 | C27 | C17 | C15 | 144.3° | 140.5° |
| C22 | C27 | C26 | H24 | 117.7° | 122.9° |
| C22 | C27 | C26 | C25 | 37.0° | 47.8° |
| C27 | C22 | C23 | H18 | 165.1° | 166.0° |
| C27 | C22 | C23 | H19 | 75.7° | 75.0° |
| C22 | C27 | C26 | H22 | 157.7° | 73.2° |
| C22 | C27 | C26 | H23 | 83.8° | 167.6° |
| C2 | C28 | C6 | H25 | 180.0° | 179.9° |
| C2 | C28 | C6 | C5 | 1.3° | 0.0° |
| C2 | C28 | C6 | N1 | 177.9° | 180.0° |
| C28 | C2 | C3 | H26 | 179.6° | 180.0° |
| C4 | C5 | C6 | C28 | 0.5° | 0.0° |
| C4 | C5 | C6 | H28 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 177.3° | 180.0° |
| C5 | C4 | C3 | H26 | 178.9° | 180.0° |
| N2 | C17 | C27 | C15 | 177.5° | 179.8° |
| N2 | C17 | C27 | C26 | 90.4° | 76.7° |
| N2 | C17 | C15 | C16 | 16.7° | 0.3° |
| N2 | C17 | C15 | C14 | 162.5° | 179.8° |
| N2 | C17 | C27 | H24 | 149.5° | 161.0° |
| C28 | C6 | C5 | N1 | 176.8° | 180.0° |
| C28 | C6 | N1 | C7 | 142.7° | 33.4° |
| C28 | C6 | C5 | H28 | 179.5° | 180.0° |
| C28 | C6 | N1 | H29 | 37.3° | 146.7° |
| C5 | C6 | N1 | C7 | 40.7° | 146.6° |
| C5 | C6 | C28 | H25 | 178.7° | 180.0° |
| C6 | C5 | C4 | H27 | 179.3° | 180.0° |
| C5 | C6 | N1 | H29 | 139.3° | 33.3° |
| C24 | C25 | C26 | C27 | 14.7° | 18.8° |
| C24 | C25 | C26 | H21 | 180.0° | 179.2° |
| C25 | C24 | C23 | H18 | 141.8° | 135.8° |
| C25 | C24 | C23 | H19 | 99.1° | 105.1° |
| C24 | C25 | C26 | H22 | 135.5° | 102.7° |
| C24 | C25 | C26 | H23 | 106.1° | 138.2° |
| C6 | N1 | C7 | H29 | 180.0° | 179.9° |
| C6 | N1 | C7 | C8 | 19.2° | 174.7° |
| C6 | N1 | C7 | O2 | 156.3° | 5.3° |
| N1 | C6 | C28 | H25 | 2.1° | 0.1° |
| N1 | C6 | C5 | H28 | 2.7° | 0.0° |
| N1 | C7 | C8 | O2 | 175.8° | 180.0° |
| N1 | C7 | C8 | C9 | 88.1° | 76.9° |
| C17 | C27 | C26 | H24 | 120.0° | 121.9° |
| C17 | C27 | C26 | C25 | 159.2° | 163.0° |
| C27 | C17 | C15 | C16 | 160.9° | 180.0° |
| C27 | C17 | C15 | C14 | 19.8° | 0.0° |
| C17 | C27 | C22 | H17 | 63.2° | 63.0° |
| C17 | C27 | C26 | H22 | 80.0° | 42.0° |
| C17 | C27 | C26 | H23 | 38.5° | 77.2° |
| C15 | C17 | C27 | C26 | 92.1° | 103.1° |
| C17 | C15 | C16 | C14 | 179.3° | 180.0° |
| C17 | C15 | C16 | C10 | 180.0° | 180.0° |
| C17 | C15 | C14 | C13 | 179.3° | 180.0° |
| C17 | C15 | C14 | H8 | 0.7° | 0.0° |
| C17 | C15 | C16 | H9 | 0.0° | 0.0° |
| C15 | C17 | C27 | H24 | 28.0° | 19.2° |
| C27 | C26 | C25 | H22 | 120.8° | 121.6° |
| C27 | C26 | C25 | H23 | 120.8° | 119.3° |
| C26 | C27 | C22 | H17 | 170.9° | 178.4° |
| C27 | C26 | C25 | H21 | 165.3° | 162.0° |
| C27 | C26 | H22 | H23 | 117.7° | 118.8° |
| C26 | C25 | C24 | H20 | 173.6° | 178.2° |
| C25 | C26 | H22 | H23 | 117.7° | 119.1° |
| C25 | C26 | C27 | H24 | 80.7° | 75.1° |
| C7 | C8 | C9 | C10 | 123.0° | 180.0° |
| C8 | C7 | N1 | H29 | 160.7° | 5.3° |
| O2 | C7 | C8 | C9 | 87.7° | 103.1° |
| O2 | C7 | N1 | H29 | 23.7° | 174.7° |
| C15 | C16 | C10 | H9 | 180.0° | 180.0° |
| C15 | C16 | C10 | C9 | 179.8° | 179.7° |
| C15 | C16 | C10 | C11 | 1.3° | 0.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H8 | 179.9° | 180.0° |
| C16 | C10 | C9 | C8 | 4.3° | 77.2° |
| C10 | C16 | C15 | C14 | 0.8° | 0.0° |
| C16 | C10 | C9 | C11 | 178.5° | 179.7° |
| C16 | C10 | C11 | C13 | 1.1° | 0.0° |
| C16 | C10 | C11 | O3 | 179.0° | 180.0° |
| C8 | C9 | C10 | C11 | 177.2° | 103.1° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | C11 | 0.1° | 0.0° |
| C15 | C14 | C13 | H7 | 179.9° | 180.0° |
| C14 | C15 | C16 | H9 | 179.3° | 180.0° |
| C9 | C10 | C11 | C13 | 179.7° | 179.7° |
| C9 | C10 | C11 | O3 | 2.5° | 0.3° |
| C9 | C10 | C16 | H9 | 0.2° | 0.3° |
| C10 | C11 | C13 | C14 | 0.5° | 0.0° |
| C10 | C11 | C13 | O3 | 177.7° | 180.0° |
| C10 | C11 | O3 | C12 | 147.2° | 180.0° |
| C10 | C11 | C13 | H7 | 179.5° | 180.0° |
| C11 | C10 | C16 | H9 | 178.7° | 180.0° |
| C14 | C13 | C11 | H7 | 180.0° | 180.0° |
| C14 | C13 | C11 | O3 | 178.2° | 180.0° |
| C13 | C11 | O3 | C12 | 30.6° | 0.1° |
| C11 | C13 | C14 | H8 | 179.9° | 180.0° |
| C11 | O3 | C12 | H4 | 180.0° | 60.0° |
| C11 | O3 | C12 | H5 | 60.0° | 60.1° |
| C11 | O3 | C12 | H6 | 60.0° | 180.0° |
| O3 | C11 | C13 | H7 | 1.8° | 0.0° |
| O3 | C12 | H4 | H5 | 120.0° | 120.1° |
| O3 | C12 | H4 | H6 | 120.0° | 120.0° |
| O3 | C12 | H5 | H6 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C12 | H5 | H6 | 120.0° | 119.9° |
| H7 | C13 | C14 | H8 | 0.1° | 0.0° |
| H10 | C18 | C19 | H11 | 63.2° | 180.0° |
| H10 | C18 | C19 | H12 | 176.8° | 60.0° |
| H10 | C18 | C19 | H13 | 56.8° | 60.0° |
| H10 | C18 | C20 | H14 | 61.4° | 59.9° |
| H10 | C18 | C20 | H15 | 178.6° | 60.0° |
| H10 | C18 | C20 | H16 | 58.6° | 180.0° |
| H11 | C19 | H12 | H13 | 120.0° | 120.0° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H17 | C22 | C23 | H18 | 77.0° | 74.7° |
| H17 | C22 | C23 | H19 | 42.2° | 44.3° |
| H17 | C22 | C27 | H24 | 53.1° | 58.3° |
| H18 | C23 | C24 | H20 | 38.2° | 44.2° |
| H19 | C23 | C24 | H20 | 80.9° | 74.9° |
| H20 | C24 | C25 | H21 | 6.4° | 1.0° |
| H21 | C25 | C26 | H22 | 44.5° | 76.5° |
| H21 | C25 | C26 | H23 | 74.0° | 42.7° |
| H22 | C26 | C27 | H24 | 40.1° | 163.9° |
| H23 | C26 | C27 | H24 | 158.5° | 44.7° |
| H26 | C3 | C4 | H27 | 1.1° | 0.1° |
| H27 | C4 | C5 | H28 | 0.7° | 0.1° |
