KQT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | O3 | sing | 1.43Å | 1.43Å | |
| C8 | C5 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C11 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| O2 | C2 | sing | 1.35Å | 1.37Å | |
| O2 | C1 | sing | 1.44Å | 1.43Å | |
| C16 | C15 | doub | 1.36Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.37Å | Aromatic |
| C20 | O4 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | doub | 1.41Å | 1.44Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.48Å | Aromatic |
| N2 | C29 | doub | 1.32Å | 1.39Å | Aromatic |
| N2 | C27 | sing | 1.32Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.43Å | Aromatic |
| C17 | O4 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C6 | sing | 1.48Å | 1.48Å | |
| C10 | N1 | doub | 1.35Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | O3 | sing | 1.36Å | 1.38Å | |
| N1 | C14 | sing | 1.31Å | 1.33Å | Aromatic |
| N1 | C9 | sing | 1.47Å | 1.49Å | |
| C1 | O1 | sing | 1.44Å | 1.43Å | |
| C3 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | O1 | sing | 1.35Å | 1.38Å | |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | O3 | C18 | 118.2° | 117.0° |
| O3 | C19 | H3 | 109.5° | 109.4° |
| O3 | C19 | H4 | 109.5° | 109.5° |
| O3 | C19 | H5 | 109.5° | 109.4° |
| C5 | C8 | C9 | 108.8° | 107.8° |
| C8 | C5 | C4 | 120.9° | 119.1° |
| C8 | C5 | C6 | 118.5° | 118.3° |
| C5 | C8 | H13 | 109.6° | 109.6° |
| C5 | C8 | H14 | 109.6° | 109.7° |
| C8 | C9 | N1 | 108.5° | 112.5° |
| C9 | C8 | H13 | 109.6° | 109.6° |
| C9 | C8 | H14 | 109.6° | 109.7° |
| C8 | C9 | H15 | 109.7° | 108.7° |
| C8 | C9 | H16 | 109.7° | 108.6° |
| C5 | C4 | C2 | 118.6° | 117.2° |
| C4 | C5 | C6 | 120.3° | 122.6° |
| C5 | C4 | H1 | 120.7° | 121.5° |
| C4 | C2 | O2 | 128.7° | 131.5° |
| C4 | C2 | C3 | 121.2° | 120.9° |
| C2 | C4 | H1 | 120.7° | 121.3° |
| C5 | C6 | C10 | 118.5° | 119.0° |
| C5 | C6 | C7 | 119.2° | 119.8° |
| C11 | C21 | C22 | 113.8° | 109.5° |
| C21 | C11 | C12 | 117.6° | 118.4° |
| C21 | C11 | C10 | 123.8° | 121.8° |
| C11 | C21 | H17 | 108.4° | 109.4° |
| C11 | C21 | H18 | 108.4° | 109.5° |
| C21 | C22 | C23 | 115.0° | 109.5° |
| C22 | C21 | H17 | 108.4° | 109.4° |
| C22 | C21 | H18 | 108.4° | 109.5° |
| C21 | C22 | H19 | 108.1° | 109.5° |
| C21 | C22 | H20 | 108.1° | 109.5° |
| C2 | O2 | C1 | 105.7° | 107.1° |
| O2 | C2 | C3 | 110.2° | 107.6° |
| O2 | C1 | O1 | 108.5° | 100.8° |
| O2 | C1 | H2 | 109.7° | 111.1° |
| O2 | C1 | H28 | 109.8° | 111.2° |
| C15 | C16 | C17 | 120.7° | 121.2° |
| C16 | C15 | C12 | 121.8° | 120.0° |
| C16 | C15 | H6 | 119.1° | 118.6° |
| C15 | C16 | H7 | 119.6° | 119.3° |
| C16 | C17 | O4 | 124.2° | 119.8° |
| C16 | C17 | C18 | 119.9° | 120.6° |
| C17 | C16 | H7 | 119.7° | 119.6° |
| C15 | C12 | C11 | 122.7° | 122.7° |
| C15 | C12 | C13 | 118.0° | 119.3° |
| C12 | C15 | H6 | 119.1° | 121.4° |
| C2 | C3 | C7 | 121.4° | 121.5° |
| C2 | C3 | O1 | 110.3° | 107.3° |
| C20 | O4 | C17 | 118.3° | 117.0° |
| O4 | C20 | H8 | 109.5° | 109.5° |
| O4 | C20 | H9 | 109.4° | 109.5° |
| O4 | C20 | H10 | 109.5° | 109.5° |
| C12 | C11 | C10 | 118.6° | 119.6° |
| C11 | C12 | C13 | 119.4° | 118.0° |
| C11 | C10 | C6 | 126.4° | 122.8° |
| C11 | C10 | N1 | 117.4° | 119.7° |
| C29 | N2 | C27 | 118.3° | 121.8° |
| N2 | C29 | C30 | 121.6° | 120.7° |
| N2 | C29 | H25 | 119.2° | 119.7° |
| N2 | C27 | C26 | 122.4° | 120.8° |
| N2 | C27 | H24 | 118.8° | 119.6° |
| C12 | C13 | C18 | 118.6° | 119.7° |
| C12 | C13 | C14 | 119.1° | 118.3° |
| O4 | C17 | C18 | 115.9° | 119.6° |
| C17 | C18 | C13 | 121.1° | 119.3° |
| C17 | C18 | O3 | 121.2° | 120.2° |
| C6 | C10 | N1 | 116.2° | 117.5° |
| C10 | C6 | C7 | 122.3° | 121.3° |
| C10 | N1 | C14 | 122.4° | 122.8° |
| C10 | N1 | C9 | 118.5° | 119.6° |
| C6 | C7 | C3 | 119.1° | 117.9° |
| C6 | C7 | H12 | 120.5° | 122.4° |
| C29 | C30 | C25 | 118.8° | 119.2° |
| C30 | C29 | H25 | 119.2° | 119.6° |
| C29 | C30 | H26 | 120.6° | 120.4° |
| C27 | C26 | C25 | 120.6° | 119.1° |
| C27 | C26 | H23 | 119.7° | 120.4° |
| C26 | C27 | H24 | 118.8° | 119.6° |
| C18 | C13 | C14 | 122.3° | 122.1° |
| C13 | C18 | O3 | 117.7° | 120.5° |
| C13 | C14 | N1 | 123.1° | 120.9° |
| C13 | C14 | H11 | 118.5° | 119.6° |
| C14 | N1 | C9 | 119.0° | 117.6° |
| N1 | C14 | H11 | 118.4° | 119.5° |
| N1 | C9 | H15 | 109.7° | 108.9° |
| N1 | C9 | H16 | 109.7° | 108.9° |
| C1 | O1 | C3 | 105.4° | 107.1° |
| O1 | C1 | H2 | 109.7° | 111.1° |
| O1 | C1 | H28 | 109.7° | 111.2° |
| C7 | C3 | O1 | 128.4° | 131.2° |
| C3 | C7 | H12 | 120.4° | 119.6° |
| C26 | C25 | C30 | 118.3° | 118.4° |
| C26 | C25 | C23 | 124.5° | 120.8° |
| C25 | C26 | H23 | 119.7° | 120.5° |
| C30 | C25 | C23 | 117.2° | 120.8° |
| C25 | C30 | H26 | 120.6° | 120.4° |
| C25 | C23 | C22 | 122.1° | 109.5° |
| C25 | C23 | H21 | 106.2° | 109.5° |
| C25 | C23 | H22 | 106.2° | 109.5° |
| C23 | C22 | H19 | 108.1° | 109.5° |
| C23 | C22 | H20 | 108.1° | 109.5° |
| C22 | C23 | H21 | 106.2° | 109.5° |
| C22 | C23 | H22 | 106.2° | 109.5° |
| H2 | C1 | H28 | 109.5° | 111.1° |
| H3 | C19 | H4 | 109.4° | 109.5° |
| H3 | C19 | H5 | 109.5° | 109.5° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.4° | 109.5° |
| H8 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 110.4° |
| H15 | C9 | H16 | 109.4° | 109.2° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | O3 | C18 | C17 | 96.0° | 89.9° |
| C19 | O3 | C18 | C13 | 86.6° | 90.0° |
| O3 | C19 | H3 | H4 | 120.0° | 120.0° |
| O3 | C19 | H3 | H5 | 120.0° | 119.9° |
| O3 | C19 | H4 | H5 | 120.0° | 119.9° |
| C5 | C8 | C9 | H13 | 119.9° | 119.2° |
| C5 | C8 | C9 | H14 | 119.9° | 119.4° |
| C8 | C5 | C4 | C6 | 174.2° | 177.9° |
| C8 | C5 | C4 | C2 | 174.3° | 176.4° |
| C8 | C5 | C6 | C10 | 10.3° | 5.6° |
| C8 | C5 | C6 | C7 | 170.7° | 173.4° |
| C5 | C8 | C9 | N1 | 59.9° | 54.0° |
| C8 | C5 | C4 | H1 | 5.7° | 3.5° |
| C5 | C8 | H13 | H14 | 120.3° | 121.0° |
| C5 | C8 | C9 | H15 | 60.0° | 174.6° |
| C5 | C8 | C9 | H16 | 179.8° | 66.7° |
| C9 | C8 | C5 | C4 | 140.5° | 143.3° |
| C9 | C8 | C5 | C6 | 33.8° | 34.6° |
| C8 | C9 | N1 | C10 | 45.6° | 34.0° |
| C8 | C9 | N1 | C14 | 136.5° | 144.0° |
| C8 | C9 | N1 | H15 | 119.9° | 120.6° |
| C8 | C9 | N1 | H16 | 119.9° | 120.5° |
| C9 | C8 | H13 | H14 | 120.3° | 121.0° |
| C8 | C9 | H15 | H16 | 120.4° | 118.3° |
| C5 | C4 | C2 | H1 | 180.0° | 179.9° |
| C5 | C4 | C2 | O2 | 178.8° | 179.3° |
| C5 | C4 | C2 | C3 | 2.0° | 1.5° |
| C4 | C5 | C6 | C10 | 175.4° | 176.5° |
| C4 | C5 | C6 | C7 | 3.6° | 4.5° |
| C4 | C5 | C8 | H13 | 20.6° | 24.1° |
| C4 | C5 | C8 | H14 | 99.6° | 97.2° |
| C2 | C4 | C5 | C6 | 0.1° | 1.5° |
| C4 | C2 | O2 | C3 | 179.2° | 179.3° |
| C4 | C2 | O2 | C1 | 179.3° | 161.7° |
| C4 | C2 | C3 | C7 | 0.1° | 1.6° |
| C4 | C2 | C3 | O1 | 179.4° | 178.5° |
| C5 | C6 | C10 | C11 | 153.3° | 148.4° |
| C5 | C6 | C10 | C7 | 179.0° | 179.0° |
| C5 | C6 | C10 | N1 | 27.8° | 30.1° |
| C5 | C6 | C7 | C3 | 5.5° | 4.3° |
| C6 | C5 | C4 | H1 | 179.9° | 178.7° |
| C5 | C6 | C7 | H12 | 174.5° | 172.6° |
| C6 | C5 | C8 | H13 | 153.7° | 153.8° |
| C6 | C5 | C8 | H14 | 86.1° | 84.8° |
| C11 | C21 | C22 | H17 | 120.6° | 119.9° |
| C11 | C21 | C22 | H18 | 120.6° | 120.0° |
| C21 | C11 | C12 | C15 | 2.6° | 10.9° |
| C21 | C11 | C12 | C10 | 178.1° | 176.2° |
| C21 | C11 | C12 | C13 | 176.5° | 169.2° |
| C21 | C11 | C10 | C6 | 4.0° | 12.7° |
| C21 | C11 | C10 | N1 | 177.2° | 165.8° |
| C11 | C21 | C22 | C23 | 169.2° | 180.0° |
| C11 | C21 | H17 | H18 | 118.0° | 120.0° |
| C11 | C21 | C22 | H19 | 70.0° | 60.0° |
| C11 | C21 | C22 | H20 | 48.4° | 60.0° |
| C22 | C21 | C11 | C12 | 78.5° | 84.5° |
| C22 | C21 | C11 | C10 | 103.5° | 91.6° |
| C21 | C22 | C23 | C25 | 77.3° | 180.0° |
| C21 | C22 | C23 | H19 | 120.8° | 120.0° |
| C21 | C22 | C23 | H20 | 120.8° | 120.0° |
| C22 | C21 | H17 | H18 | 118.0° | 120.1° |
| C21 | C22 | H19 | H20 | 117.5° | 120.0° |
| C21 | C22 | C23 | H21 | 44.4° | 60.0° |
| C21 | C22 | C23 | H22 | 160.9° | 60.0° |
| C2 | O2 | C1 | O1 | 1.1° | 30.0° |
| O2 | C2 | C3 | C7 | 179.4° | 179.0° |
| O2 | C2 | C3 | O1 | 1.3° | 0.9° |
| O2 | C2 | C4 | H1 | 1.2° | 0.9° |
| C2 | O2 | C1 | H2 | 121.0° | 87.8° |
| C2 | O2 | C1 | H28 | 118.7° | 147.9° |
| C1 | O2 | C2 | C3 | 0.1° | 19.0° |
| O2 | C1 | O1 | H2 | 119.8° | 117.8° |
| O2 | C1 | O1 | H28 | 119.9° | 117.9° |
| O2 | C1 | O1 | C3 | 1.9° | 30.6° |
| O2 | C1 | H2 | H28 | 120.5° | 124.4° |
| C15 | C16 | C17 | H7 | 180.0° | 179.9° |
| C16 | C15 | C12 | H6 | 180.0° | 179.6° |
| C16 | C15 | C12 | C11 | 177.5° | 178.4° |
| C16 | C15 | C12 | C13 | 1.6° | 1.7° |
| C15 | C16 | C17 | O4 | 179.8° | 179.8° |
| C15 | C16 | C17 | C18 | 0.0° | 0.3° |
| C17 | C16 | C15 | C12 | 1.4° | 0.7° |
| C16 | C17 | O4 | C20 | 0.8° | 0.0° |
| C16 | C17 | O4 | C18 | 179.8° | 179.8° |
| C16 | C17 | C18 | C13 | 1.1° | 0.2° |
| C16 | C17 | C18 | O3 | 176.1° | 179.9° |
| C17 | C16 | C15 | H6 | 178.6° | 179.0° |
| C15 | C12 | C11 | C13 | 179.1° | 179.9° |
| C15 | C12 | C11 | C10 | 179.3° | 172.9° |
| C15 | C12 | C13 | C18 | 0.4° | 1.8° |
| C15 | C12 | C13 | C14 | 179.8° | 178.5° |
| C12 | C15 | C16 | H7 | 178.6° | 179.2° |
| C2 | C3 | C7 | C6 | 3.7° | 1.4° |
| C2 | C3 | O1 | C1 | 2.0° | 20.4° |
| C2 | C3 | C7 | O1 | 179.1° | 179.9° |
| C3 | C2 | C4 | H1 | 178.0° | 178.3° |
| C2 | C3 | C7 | H12 | 176.3° | 175.6° |
| C20 | O4 | C17 | C18 | 179.0° | 179.9° |
| O4 | C20 | H8 | H9 | 120.0° | 120.0° |
| O4 | C20 | H8 | H10 | 120.0° | 120.0° |
| O4 | C20 | H9 | H10 | 120.0° | 120.0° |
| C12 | C11 | C10 | C6 | 178.0° | 171.3° |
| C12 | C11 | C10 | N1 | 0.8° | 10.3° |
| C11 | C12 | C13 | C18 | 178.7° | 178.3° |
| C11 | C12 | C13 | C14 | 1.1° | 1.4° |
| C11 | C12 | C15 | H6 | 2.5° | 2.0° |
| C12 | C11 | C21 | H17 | 42.1° | 155.6° |
| C12 | C11 | C21 | H18 | 160.9° | 35.5° |
| C10 | C11 | C12 | C13 | 1.6° | 7.0° |
| C11 | C10 | C6 | N1 | 178.9° | 178.5° |
| C11 | C10 | C6 | C7 | 25.7° | 32.6° |
| C11 | C10 | N1 | C14 | 0.6° | 8.0° |
| C11 | C10 | N1 | C9 | 177.2° | 169.9° |
| C10 | C11 | C21 | H17 | 135.8° | 28.3° |
| C10 | C11 | C21 | H18 | 17.1° | 148.3° |
| N2 | C29 | C30 | H25 | 180.0° | 179.7° |
| C29 | N2 | C27 | C26 | 0.4° | 0.0° |
| N2 | C29 | C30 | C25 | 0.7° | 0.5° |
| C29 | N2 | C27 | H24 | 179.7° | 180.0° |
| N2 | C29 | C30 | H26 | 179.3° | 180.0° |
| C27 | N2 | C29 | C30 | 0.0° | 0.3° |
| N2 | C27 | C26 | H24 | 180.0° | 180.0° |
| N2 | C27 | C26 | C25 | 0.1° | 0.0° |
| N2 | C27 | C26 | H23 | 179.9° | 179.9° |
| C27 | N2 | C29 | H25 | 180.0° | 180.0° |
| C12 | C13 | C18 | C17 | 0.9° | 0.9° |
| C12 | C13 | C18 | C14 | 179.8° | 179.6° |
| C12 | C13 | C18 | O3 | 176.4° | 179.0° |
| C12 | C13 | C14 | N1 | 0.4° | 1.1° |
| C13 | C12 | C15 | H6 | 178.4° | 177.9° |
| C12 | C13 | C14 | H11 | 179.6° | 178.8° |
| O4 | C17 | C18 | C13 | 179.0° | 180.0° |
| O4 | C17 | C18 | O3 | 3.7° | 0.1° |
| O4 | C17 | C16 | H7 | 0.2° | 0.0° |
| C17 | O4 | C20 | H8 | 180.0° | 180.0° |
| C17 | O4 | C20 | H9 | 60.0° | 60.0° |
| C17 | O4 | C20 | H10 | 60.0° | 60.0° |
| C17 | C18 | C13 | O3 | 177.3° | 179.9° |
| C17 | C18 | C13 | C14 | 178.9° | 179.5° |
| C18 | C17 | C16 | H7 | 180.0° | 179.8° |
| C6 | C10 | N1 | C14 | 179.6° | 173.5° |
| C6 | C10 | N1 | C9 | 1.8° | 8.7° |
| C10 | C6 | C7 | C3 | 173.6° | 176.8° |
| C10 | C6 | C7 | H12 | 6.5° | 6.4° |
| N1 | C10 | C6 | C7 | 153.1° | 148.9° |
| C10 | N1 | C14 | C13 | 1.2° | 2.2° |
| C10 | N1 | C14 | C9 | 177.8° | 177.9° |
| C10 | N1 | C14 | H11 | 178.8° | 177.9° |
| C10 | N1 | C9 | H15 | 74.3° | 154.5° |
| C10 | N1 | C9 | H16 | 165.5° | 86.5° |
| C6 | C7 | C3 | H12 | 180.0° | 176.9° |
| C6 | C7 | C3 | O1 | 175.4° | 178.6° |
| C29 | C30 | C25 | C26 | 0.9° | 0.5° |
| C29 | C30 | C25 | H26 | 180.0° | 179.5° |
| C29 | C30 | C25 | C23 | 178.3° | 179.8° |
| C27 | C26 | C25 | H23 | 180.0° | 179.9° |
| C27 | C26 | C25 | C30 | 0.6° | 0.3° |
| C27 | C26 | C25 | C23 | 178.6° | 180.0° |
| C18 | C13 | C14 | N1 | 179.8° | 179.3° |
| C18 | C13 | C14 | H11 | 0.2° | 0.8° |
| C14 | C13 | C18 | O3 | 3.8° | 0.6° |
| C13 | C14 | N1 | H11 | 180.0° | 179.9° |
| C13 | C14 | N1 | C9 | 176.6° | 175.7° |
| C18 | O3 | C19 | H3 | 180.0° | 60.1° |
| C18 | O3 | C19 | H4 | 60.0° | 60.0° |
| C18 | O3 | C19 | H5 | 60.0° | 179.9° |
| C14 | N1 | C9 | H15 | 103.6° | 23.4° |
| C14 | N1 | C9 | H16 | 16.7° | 95.5° |
| C9 | N1 | C14 | H11 | 3.4° | 4.2° |
| N1 | C9 | C8 | H13 | 179.8° | 173.1° |
| N1 | C9 | C8 | H14 | 60.0° | 65.5° |
| N1 | C9 | H15 | H16 | 120.4° | 118.8° |
| C1 | O1 | C3 | C7 | 178.8° | 159.5° |
| O1 | C1 | H2 | H28 | 120.5° | 124.3° |
| C3 | O1 | C1 | H2 | 121.7° | 87.2° |
| O1 | C3 | C7 | H12 | 4.6° | 4.5° |
| C3 | O1 | C1 | H28 | 118.0° | 148.5° |
| C26 | C25 | C30 | C23 | 179.2° | 179.7° |
| C26 | C25 | C23 | C22 | 5.6° | 90.0° |
| C26 | C25 | C23 | H21 | 116.1° | 30.0° |
| C26 | C25 | C23 | H22 | 127.4° | 150.0° |
| C25 | C26 | C27 | H24 | 179.9° | 180.0° |
| C26 | C25 | C30 | H26 | 179.0° | 180.0° |
| C30 | C25 | C23 | C22 | 175.2° | 90.3° |
| C30 | C25 | C23 | H21 | 63.0° | 149.7° |
| C30 | C25 | C23 | H22 | 53.5° | 29.7° |
| C30 | C25 | C26 | H23 | 179.4° | 179.8° |
| C25 | C30 | C29 | H25 | 179.3° | 179.7° |
| C25 | C23 | C22 | H21 | 121.7° | 120.0° |
| C25 | C23 | C22 | H22 | 121.8° | 120.0° |
| C25 | C23 | C22 | H19 | 43.5° | 60.0° |
| C25 | C23 | C22 | H20 | 161.9° | 60.0° |
| C25 | C23 | H21 | H22 | 114.3° | 120.0° |
| C23 | C25 | C26 | H23 | 1.4° | 0.1° |
| C23 | C25 | C30 | H26 | 1.7° | 0.2° |
| C23 | C22 | C21 | H17 | 48.5° | 60.1° |
| C23 | C22 | C21 | H18 | 70.2° | 60.0° |
| C23 | C22 | H19 | H20 | 117.5° | 120.0° |
| C22 | C23 | H21 | H22 | 114.3° | 120.0° |
| H3 | C19 | H4 | H5 | 120.0° | 120.1° |
| H6 | C15 | C16 | H7 | 1.4° | 1.1° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H13 | C8 | C9 | H15 | 59.9° | 66.2° |
| H13 | C8 | C9 | H16 | 60.3° | 52.5° |
| H14 | C8 | C9 | H15 | 179.8° | 55.2° |
| H14 | C8 | C9 | H16 | 59.9° | 173.9° |
| H17 | C21 | C22 | H19 | 169.4° | 180.0° |
| H17 | C21 | C22 | H20 | 72.2° | 60.0° |
| H18 | C21 | C22 | H19 | 50.6° | 60.0° |
| H18 | C21 | C22 | H20 | 169.0° | NaN° |
| H19 | C22 | C23 | H21 | 165.2° | 180.0° |
| H19 | C22 | C23 | H22 | 78.3° | 60.0° |
| H20 | C22 | C23 | H21 | 76.4° | 60.0° |
| H20 | C22 | C23 | H22 | 40.1° | 180.0° |
| H23 | C26 | C27 | H24 | 0.1° | 0.1° |
| H25 | C29 | C30 | H26 | 0.7° | 0.2° |
