K1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| O2 | C12 | doub | 1.21Å | 1.22Å | |
| C9 | N2 | sing | 1.46Å | 1.49Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | N2 | sing | 1.36Å | 1.38Å | |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| N2 | N1 | sing | 1.40Å | 1.36Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.49Å | |
| F1 | C25 | sing | 1.35Å | 1.36Å | |
| C14 | C13 | sing | 1.52Å | 1.54Å | |
| C14 | C15 | sing | 1.50Å | 1.49Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.39Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | N3 | sing | 1.47Å | 1.45Å | |
| N1 | C8 | doub | 1.30Å | 1.29Å | |
| C15 | C16 | doub | 1.29Å | 1.32Å | |
| C18 | C8 | sing | 1.52Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C8 | C5 | sing | 1.47Å | 1.49Å | |
| N3 | C21 | sing | 1.35Å | 1.34Å | |
| C16 | C17 | sing | 1.48Å | 1.49Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.43Å | 1.43Å | |
| C21 | O3 | doub | 1.22Å | 1.23Å | |
| C20 | C19 | trip | 1.17Å | 1.20Å | |
| C19 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C7 | H29 | sing | 1.08Å | 1.08Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | N2 | 108.8° | 109.5° |
| C10 | C9 | C11 | 112.6° | 109.5° |
| C9 | C10 | H7 | 109.5° | 109.5° |
| C9 | C10 | H8 | 109.5° | 109.5° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C10 | C9 | H30 | 108.0° | 109.5° |
| O2 | C12 | N2 | 120.0° | 120.9° |
| O2 | C12 | C13 | 122.8° | 121.1° |
| N2 | C9 | C11 | 111.0° | 109.5° |
| C9 | N2 | C12 | 120.8° | 120.1° |
| C9 | N2 | N1 | 114.6° | 120.2° |
| N2 | C9 | H30 | 108.4° | 109.4° |
| C9 | C11 | H10 | 109.5° | 109.4° |
| C9 | C11 | H11 | 109.5° | 109.5° |
| C9 | C11 | H12 | 109.5° | 109.4° |
| C11 | C9 | H30 | 107.9° | 109.5° |
| N2 | C12 | C13 | 117.2° | 118.0° |
| C12 | N2 | N1 | 124.5° | 119.7° |
| C12 | C13 | C14 | 115.1° | 112.0° |
| C12 | C13 | C18 | 107.8° | 108.6° |
| C12 | C13 | H13 | 107.5° | 108.7° |
| N2 | N1 | C8 | 117.6° | 121.3° |
| C24 | C23 | C22 | 118.7° | 109.5° |
| C23 | C24 | C25 | 122.9° | 120.0° |
| C23 | C24 | C29 | 120.0° | 120.0° |
| C24 | C23 | H23 | 107.1° | 109.5° |
| C24 | C23 | H24 | 107.1° | 109.5° |
| C23 | C22 | N3 | 111.5° | 109.5° |
| C23 | C22 | H21 | 109.0° | 109.4° |
| C23 | C22 | H22 | 109.0° | 109.5° |
| C22 | C23 | H23 | 107.1° | 109.5° |
| C22 | C23 | H24 | 107.1° | 109.5° |
| F1 | C25 | C24 | 118.6° | 120.1° |
| F1 | C25 | C26 | 117.9° | 120.0° |
| C13 | C14 | C15 | 113.2° | 111.4° |
| C14 | C13 | C18 | 111.9° | 110.5° |
| C14 | C13 | H13 | 107.2° | 108.1° |
| C13 | C14 | H14 | 108.5° | 109.1° |
| C13 | C14 | H15 | 108.5° | 109.1° |
| C14 | C15 | C16 | 123.7° | 123.6° |
| C15 | C14 | H14 | 108.5° | 109.1° |
| C15 | C14 | H15 | 108.5° | 109.1° |
| C14 | C15 | H16 | 118.2° | 118.2° |
| C25 | C24 | C29 | 116.9° | 120.0° |
| C24 | C25 | C26 | 123.4° | 120.0° |
| C24 | C29 | C28 | 120.5° | 120.0° |
| C24 | C29 | H28 | 119.8° | 120.0° |
| C13 | C18 | C8 | 108.6° | 107.0° |
| C13 | C18 | C17 | 111.4° | 108.7° |
| C18 | C13 | H13 | 107.1° | 108.9° |
| C13 | C18 | H20 | 108.3° | 111.0° |
| C25 | C26 | C27 | 118.4° | 120.0° |
| C25 | C26 | H25 | 120.8° | 120.0° |
| C29 | C28 | C27 | 120.4° | 120.1° |
| C29 | C28 | H27 | 119.8° | 120.0° |
| C28 | C29 | H28 | 119.7° | 120.0° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C27 | C26 | H25 | 120.8° | 120.0° |
| C26 | C27 | H26 | 119.8° | 120.0° |
| C28 | C27 | H26 | 119.9° | 120.0° |
| C27 | C28 | H27 | 119.8° | 120.0° |
| C22 | N3 | C21 | 122.2° | 120.0° |
| C22 | N3 | H3 | 118.9° | 120.0° |
| N3 | C22 | H21 | 108.9° | 109.5° |
| N3 | C22 | H22 | 108.9° | 109.5° |
| N1 | C8 | C18 | 122.9° | 119.2° |
| N1 | C8 | C5 | 116.1° | 120.4° |
| C15 | C16 | C17 | 124.0° | 124.4° |
| C16 | C15 | H16 | 118.2° | 118.2° |
| C15 | C16 | H17 | 118.0° | 117.8° |
| C8 | C18 | C17 | 111.4° | 107.1° |
| C18 | C8 | C5 | 120.9° | 120.4° |
| C8 | C18 | H20 | 108.5° | 111.1° |
| C18 | C17 | C16 | 113.8° | 111.4° |
| C18 | C17 | H18 | 108.4° | 109.2° |
| C18 | C17 | H19 | 108.4° | 108.8° |
| C17 | C18 | H20 | 108.5° | 111.7° |
| C8 | C5 | C4 | 119.0° | 120.0° |
| C8 | C5 | C6 | 121.1° | 120.0° |
| N3 | C21 | C20 | 113.8° | 120.0° |
| N3 | C21 | O3 | 122.1° | 120.0° |
| C21 | N3 | H3 | 118.9° | 120.0° |
| C17 | C16 | H17 | 118.0° | 117.8° |
| C16 | C17 | H18 | 108.4° | 109.2° |
| C16 | C17 | H19 | 108.4° | 109.1° |
| C5 | C4 | C3 | 120.6° | 119.7° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C5 | C4 | H2 | 119.7° | 120.1° |
| C4 | C3 | C19 | 121.4° | 120.1° |
| C4 | C3 | C2 | 118.8° | 119.8° |
| C3 | C4 | H2 | 119.7° | 120.2° |
| C5 | C6 | C7 | 120.1° | 120.3° |
| C5 | C6 | H1 | 119.9° | 119.8° |
| C20 | C21 | O3 | 124.1° | 120.0° |
| C21 | C20 | C19 | 175.1° | 180.0° |
| C20 | C19 | C3 | 174.5° | 180.0° |
| C19 | C3 | C2 | 119.8° | 120.1° |
| C3 | C2 | C7 | 120.0° | 119.9° |
| C3 | C2 | O1 | 115.6° | 120.0° |
| C6 | C7 | C2 | 120.6° | 120.3° |
| C7 | C6 | H1 | 119.9° | 119.9° |
| C6 | C7 | H29 | 119.7° | 119.8° |
| C7 | C2 | O1 | 124.4° | 120.0° |
| C2 | C7 | H29 | 119.7° | 119.8° |
| C2 | O1 | C1 | 118.2° | 117.0° |
| O1 | C1 | H4 | 109.5° | 109.5° |
| O1 | C1 | H5 | 109.4° | 109.5° |
| O1 | C1 | H6 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H4 | C1 | H6 | 109.5° | 109.4° |
| H5 | C1 | H6 | 109.4° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H12 | 109.4° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.0° |
| H18 | C17 | H19 | 109.5° | 109.1° |
| H21 | C22 | H22 | 109.4° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | N2 | C11 | 124.4° | 120.0° |
| C10 | C9 | N2 | H30 | 117.2° | 120.0° |
| C10 | C9 | C11 | H30 | 119.1° | 120.0° |
| C10 | C9 | N2 | C12 | 95.8° | 120.0° |
| C10 | C9 | N2 | N1 | 81.3° | 59.7° |
| C9 | C10 | H7 | H8 | 120.0° | 120.0° |
| C9 | C10 | H7 | H9 | 120.0° | 120.1° |
| C9 | C10 | H8 | H9 | 120.0° | 120.0° |
| C10 | C9 | C11 | H10 | 180.0° | 180.0° |
| C10 | C9 | C11 | H11 | 60.0° | 60.0° |
| C10 | C9 | C11 | H12 | 60.0° | 60.0° |
| O2 | C12 | N2 | C9 | 3.0° | 3.9° |
| O2 | C12 | N2 | C13 | 178.9° | 180.0° |
| O2 | C12 | N2 | N1 | 179.8° | 176.4° |
| O2 | C12 | C13 | C14 | 18.1° | 21.1° |
| O2 | C12 | C13 | C18 | 143.7° | 143.4° |
| O2 | C12 | C13 | H13 | 101.2° | 98.3° |
| N2 | C9 | C11 | H30 | 118.7° | 120.0° |
| C9 | N2 | C12 | N1 | 176.7° | 179.7° |
| C9 | N2 | C12 | C13 | 178.1° | 176.1° |
| C9 | N2 | N1 | C8 | 160.7° | 154.6° |
| N2 | C9 | C10 | H7 | 180.0° | 60.0° |
| N2 | C9 | C10 | H8 | 60.0° | 180.0° |
| N2 | C9 | C10 | H9 | 60.0° | 60.0° |
| N2 | C9 | C11 | H10 | 57.8° | 60.0° |
| N2 | C9 | C11 | H11 | 62.2° | 180.0° |
| N2 | C9 | C11 | H12 | 177.8° | 60.0° |
| C11 | C9 | N2 | C12 | 139.8° | 120.0° |
| C11 | C9 | N2 | N1 | 43.2° | 60.3° |
| C11 | C9 | C10 | H7 | 56.6° | 60.0° |
| C11 | C9 | C10 | H8 | 63.4° | 60.0° |
| C11 | C9 | C10 | H9 | 176.6° | 180.0° |
| C9 | C11 | H10 | H11 | 120.0° | 120.0° |
| C9 | C11 | H10 | H12 | 120.0° | 119.9° |
| C9 | C11 | H11 | H12 | 120.0° | 119.9° |
| N2 | C12 | C13 | C14 | 160.8° | 158.9° |
| N2 | C12 | C13 | C18 | 35.1° | 36.6° |
| C12 | N2 | N1 | C8 | 22.4° | 25.1° |
| N2 | C12 | C13 | H13 | 80.0° | 81.7° |
| C12 | N2 | C9 | H30 | 21.4° | 0.0° |
| C13 | C12 | N2 | N1 | 1.4° | 3.6° |
| C12 | C13 | C14 | C18 | 123.5° | 121.2° |
| C12 | C13 | C14 | H13 | 119.4° | 119.8° |
| C12 | C13 | C14 | C15 | 81.5° | 75.4° |
| C12 | C13 | C18 | H13 | 115.4° | 118.3° |
| C12 | C13 | C18 | C8 | 49.3° | 55.0° |
| C12 | C13 | C18 | C17 | 73.8° | 60.4° |
| C12 | C13 | C14 | H14 | 39.0° | 45.0° |
| C12 | C13 | C14 | H15 | 158.0° | 164.0° |
| C12 | C13 | C18 | H20 | 167.0° | 176.3° |
| N2 | N1 | C8 | C18 | 1.9° | 0.8° |
| N2 | N1 | C8 | C5 | 179.3° | 179.4° |
| N1 | N2 | C9 | H30 | 161.5° | 179.7° |
| C24 | C23 | C22 | H23 | 121.3° | 120.0° |
| C24 | C23 | C22 | H24 | 121.3° | 120.0° |
| C23 | C24 | C25 | F1 | 5.0° | 0.0° |
| C23 | C24 | C25 | C29 | 174.5° | 179.7° |
| C23 | C24 | C25 | C26 | 176.1° | 180.0° |
| C23 | C24 | C29 | C28 | 176.0° | 179.7° |
| C24 | C23 | C22 | N3 | 71.8° | 180.0° |
| C24 | C23 | C22 | H21 | 48.5° | 60.0° |
| C24 | C23 | C22 | H22 | 167.9° | 60.0° |
| C24 | C23 | H23 | H24 | 115.8° | 120.0° |
| C23 | C24 | C29 | H28 | 4.0° | 0.1° |
| C22 | C23 | C24 | C25 | 74.8° | 85.0° |
| C22 | C23 | C24 | C29 | 110.9° | 95.3° |
| C23 | C22 | N3 | H21 | 120.3° | 119.9° |
| C23 | C22 | N3 | H22 | 120.3° | 120.0° |
| C23 | C22 | N3 | C21 | 149.4° | 180.0° |
| C23 | C22 | N3 | H3 | 30.6° | 0.0° |
| C23 | C22 | H21 | H22 | 119.1° | 120.0° |
| C22 | C23 | H23 | H24 | 115.8° | 120.0° |
| F1 | C25 | C24 | C26 | 178.9° | 179.9° |
| F1 | C25 | C24 | C29 | 179.4° | 179.7° |
| F1 | C25 | C26 | C27 | 179.9° | 180.0° |
| F1 | C25 | C26 | H25 | 0.1° | 0.0° |
| C13 | C14 | C15 | H14 | 120.6° | 120.5° |
| C13 | C14 | C15 | H15 | 120.5° | 120.6° |
| C14 | C13 | C18 | H13 | 117.1° | 118.5° |
| C13 | C14 | C15 | C16 | 17.8° | 15.4° |
| C14 | C13 | C18 | C8 | 176.8° | 178.2° |
| C14 | C13 | C18 | C17 | 53.7° | 62.8° |
| C13 | C14 | H14 | H15 | 118.3° | 119.1° |
| C13 | C14 | C15 | H16 | 162.2° | 164.7° |
| C14 | C13 | C18 | H20 | 65.5° | 60.5° |
| C15 | C14 | C13 | C18 | 42.0° | 45.8° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 4.6° | 1.2° |
| C15 | C14 | C13 | H13 | 159.1° | 164.8° |
| C15 | C14 | H14 | H15 | 118.3° | 119.1° |
| C14 | C15 | C16 | H17 | 175.4° | 178.9° |
| C25 | C24 | C29 | C28 | 1.4° | 0.6° |
| C24 | C25 | C26 | C27 | 1.1° | 0.1° |
| C25 | C24 | C23 | H23 | 46.5° | 35.0° |
| C25 | C24 | C23 | H24 | 163.9° | 155.0° |
| C24 | C25 | C26 | H25 | 178.8° | 180.0° |
| C25 | C24 | C29 | H28 | 178.6° | 179.7° |
| C29 | C24 | C25 | C26 | 1.6° | 0.3° |
| C24 | C29 | C28 | H28 | 180.0° | 179.6° |
| C24 | C29 | C28 | C27 | 0.7° | 0.6° |
| C29 | C24 | C23 | H23 | 127.8° | 144.7° |
| C29 | C24 | C23 | H24 | 10.4° | 24.7° |
| C24 | C29 | C28 | H27 | 179.3° | 179.7° |
| C13 | C18 | C8 | N1 | 34.6° | 39.2° |
| C13 | C18 | C8 | C17 | 123.1° | 116.4° |
| C13 | C18 | C8 | H20 | 117.5° | 121.3° |
| C13 | C18 | C17 | H20 | 119.1° | 122.9° |
| C13 | C18 | C8 | C5 | 144.2° | 140.5° |
| C13 | C18 | C17 | C16 | 40.1° | 47.3° |
| C18 | C13 | C14 | H14 | 162.5° | 166.2° |
| C18 | C13 | C14 | H15 | 78.6° | 74.8° |
| C13 | C18 | C17 | H18 | 160.8° | 73.4° |
| C13 | C18 | C17 | H19 | 80.5° | 167.7° |
| C25 | C26 | C27 | H25 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.1° |
| C25 | C26 | C27 | H26 | 179.6° | 180.0° |
| C29 | C28 | C27 | C26 | 0.2° | 0.4° |
| C29 | C28 | C27 | H27 | 180.0° | 179.7° |
| C29 | C28 | C27 | H26 | 179.8° | 179.7° |
| C26 | C27 | C28 | H26 | 180.0° | 179.9° |
| C26 | C27 | C28 | H27 | 179.9° | 180.0° |
| C28 | C27 | C26 | H25 | 179.6° | 180.0° |
| C27 | C28 | C29 | H28 | 179.3° | 179.7° |
| C22 | N3 | C21 | H3 | 180.0° | 180.0° |
| C22 | N3 | C21 | C20 | 22.4° | 180.0° |
| C22 | N3 | C21 | O3 | 156.5° | 0.0° |
| N3 | C22 | H21 | H22 | 119.0° | 120.0° |
| N3 | C22 | C23 | H23 | 166.9° | 60.0° |
| N3 | C22 | C23 | H24 | 49.5° | 60.0° |
| N1 | C8 | C18 | C5 | 178.8° | 179.7° |
| N1 | C8 | C18 | C17 | 88.4° | 77.2° |
| N1 | C8 | C5 | C4 | 19.2° | 0.0° |
| N1 | C8 | C5 | C6 | 160.5° | 179.9° |
| N1 | C8 | C18 | H20 | 152.2° | 160.5° |
| C15 | C16 | C17 | C18 | 16.2° | 18.0° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| C16 | C15 | C14 | H14 | 138.4° | 135.9° |
| C16 | C15 | C14 | H15 | 102.7° | 105.2° |
| C15 | C16 | C17 | H18 | 136.8° | 102.7° |
| C15 | C16 | C17 | H19 | 104.4° | 138.2° |
| C8 | C18 | C17 | H20 | 119.4° | 121.9° |
| C8 | C18 | C17 | C16 | 161.6° | 162.6° |
| C18 | C8 | C5 | C4 | 159.7° | 179.7° |
| C18 | C8 | C5 | C6 | 20.6° | 0.2° |
| C8 | C18 | C13 | H13 | 66.1° | 63.3° |
| C8 | C18 | C17 | H18 | 77.8° | 41.9° |
| C8 | C18 | C17 | H19 | 41.0° | 77.1° |
| C17 | C18 | C8 | C5 | 92.8° | 103.1° |
| C18 | C17 | C16 | H18 | 120.6° | 120.7° |
| C18 | C17 | C16 | H19 | 120.6° | 120.2° |
| C17 | C18 | C13 | H13 | 170.9° | 178.7° |
| C18 | C17 | C16 | H17 | 163.8° | 162.1° |
| C18 | C17 | H18 | H19 | 118.0° | 118.8° |
| C8 | C5 | C4 | C6 | 179.7° | 180.0° |
| C8 | C5 | C4 | C3 | 179.9° | 180.0° |
| C8 | C5 | C6 | C7 | 180.0° | 180.0° |
| C8 | C5 | C6 | H1 | 0.0° | 0.3° |
| C8 | C5 | C4 | H2 | 0.1° | 0.0° |
| C5 | C8 | C18 | H20 | 26.6° | 19.2° |
| N3 | C21 | C20 | O3 | 178.9° | 180.0° |
| N3 | C21 | C20 | C19 | 61.2° | 89.2° |
| C21 | N3 | C22 | H21 | 29.0° | 60.0° |
| C21 | N3 | C22 | H22 | 90.3° | 60.0° |
| C17 | C16 | C15 | H16 | 175.4° | 178.9° |
| C16 | C17 | H18 | H19 | 118.0° | 119.1° |
| C16 | C17 | C18 | H20 | 79.0° | 75.6° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | C19 | 177.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C4 | C5 | C6 | H1 | 179.7° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C19 | C20 | 109.1° | 89.1° |
| C4 | C3 | C19 | C2 | 177.4° | 180.0° |
| C4 | C3 | C2 | C7 | 0.7° | 0.0° |
| C4 | C3 | C2 | O1 | 179.8° | 179.9° |
| C5 | C6 | C7 | H1 | 180.0° | 179.7° |
| C5 | C6 | C7 | C2 | 0.1° | 0.1° |
| C6 | C5 | C4 | H2 | 179.8° | 179.9° |
| C5 | C6 | C7 | H29 | 179.9° | 179.7° |
| C21 | C20 | C19 | C3 | 51.4° | NaN° |
| C20 | C21 | N3 | H3 | 157.6° | 0.0° |
| O3 | C21 | C20 | C19 | 117.7° | 90.8° |
| O3 | C21 | N3 | H3 | 23.5° | 179.9° |
| C20 | C19 | C3 | C2 | 68.3° | 90.8° |
| C19 | C3 | C2 | C7 | 178.2° | 180.0° |
| C19 | C3 | C2 | O1 | 2.3° | 0.1° |
| C19 | C3 | C4 | H2 | 2.3° | 0.1° |
| C3 | C2 | C7 | C6 | 0.6° | 0.1° |
| C3 | C2 | C7 | O1 | 179.5° | 179.9° |
| C3 | C2 | O1 | C1 | 165.6° | 180.0° |
| C2 | C3 | C4 | H2 | 179.7° | 180.0° |
| C3 | C2 | C7 | H29 | 179.4° | 179.8° |
| C6 | C7 | C2 | H29 | 180.0° | 179.8° |
| C6 | C7 | C2 | O1 | 180.0° | 180.0° |
| C7 | C2 | O1 | C1 | 14.9° | 0.0° |
| C2 | C7 | C6 | H1 | 179.9° | 179.8° |
| C2 | O1 | C1 | H4 | 180.0° | 60.0° |
| C2 | O1 | C1 | H5 | 60.0° | 60.0° |
| C2 | O1 | C1 | H6 | 60.0° | 180.0° |
| O1 | C2 | C7 | H29 | 0.0° | 0.2° |
| O1 | C1 | H4 | H5 | 120.0° | 120.0° |
| O1 | C1 | H4 | H6 | 120.0° | 120.0° |
| O1 | C1 | H5 | H6 | 120.0° | 120.1° |
| H1 | C6 | C7 | H29 | 0.1° | 0.1° |
| H3 | N3 | C22 | H21 | 151.0° | 120.0° |
| H3 | N3 | C22 | H22 | 89.7° | 120.0° |
| H4 | C1 | H5 | H6 | 120.0° | 119.9° |
| H7 | C10 | H8 | H9 | 120.0° | 120.0° |
| H7 | C10 | C9 | H30 | 62.5° | 180.0° |
| H8 | C10 | C9 | H30 | 177.5° | 60.0° |
| H9 | C10 | C9 | H30 | 57.5° | 59.9° |
| H10 | C11 | H11 | H12 | 119.9° | 120.1° |
| H10 | C11 | C9 | H30 | 60.9° | 60.0° |
| H11 | C11 | C9 | H30 | 179.1° | 60.1° |
| H12 | C11 | C9 | H30 | 59.1° | 180.0° |
| H13 | C13 | C14 | H14 | 80.4° | 74.7° |
| H13 | C13 | C14 | H15 | 38.5° | 44.3° |
| H13 | C13 | C18 | H20 | 51.6° | 58.0° |
| H14 | C14 | C15 | H16 | 41.6° | 44.2° |
| H15 | C14 | C15 | H16 | 77.2° | 74.7° |
| H16 | C15 | C16 | H17 | 4.5° | 1.0° |
| H17 | C16 | C17 | H18 | 43.2° | 77.1° |
| H17 | C16 | C17 | H19 | 75.6° | 42.0° |
| H18 | C17 | C18 | H20 | 41.7° | 163.8° |
| H19 | C17 | C18 | H20 | 160.4° | 44.8° |
| H21 | C22 | C23 | H23 | 72.8° | 180.0° |
| H21 | C22 | C23 | H24 | 169.9° | 60.0° |
| H22 | C22 | C23 | H23 | 46.6° | 60.0° |
| H22 | C22 | C23 | H24 | 70.8° | 180.0° |
| H25 | C26 | C27 | H26 | 0.4° | 0.0° |
| H26 | C27 | C28 | H27 | 0.1° | 0.1° |
| H27 | C28 | C29 | H28 | 0.7° | 0.1° |
