TK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N3 | sing | 1.47Å | 1.46Å | |
| N1 | C8 | sing | 1.47Å | 1.47Å | |
| N3 | C6 | sing | 1.40Å | 1.39Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.37Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.34Å | 1.37Å | Aromatic |
| N | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| N | C9 | sing | 1.37Å | 1.40Å | Aromatic |
| N2 | C9 | doub | 1.33Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.35Å | 1.34Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C3 | O | sing | 1.43Å | 1.45Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | O | sing | 1.36Å | 1.39Å | |
| C4 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.35Å | Aromatic |
| C2 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.48Å | 1.49Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å | |
| N1 | H16 | sing | 1.01Å | 1.00Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H20 | sing | 1.01Å | 1.00Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H23 | sing | 1.08Å | 1.08Å | |
| C10 | H24 | sing | 1.08Å | 1.08Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 119.6° | 120.0° |
| C17 | C16 | C15 | 120.3° | 120.0° |
| C16 | C17 | H7 | 120.2° | 120.0° |
| C17 | C16 | H22 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H7 | 120.2° | 120.0° |
| C17 | C18 | H21 | 119.9° | 120.0° |
| C16 | C15 | C14 | 120.8° | 120.0° |
| C16 | C15 | H6 | 119.6° | 120.0° |
| C15 | C16 | H22 | 119.9° | 120.0° |
| C18 | C19 | C14 | 120.8° | 120.0° |
| C18 | C19 | H8 | 119.6° | 120.0° |
| C19 | C18 | H21 | 119.9° | 120.0° |
| C15 | C14 | C19 | 118.4° | 120.0° |
| C15 | C14 | C13 | 120.7° | 120.0° |
| C14 | C15 | H6 | 119.6° | 120.0° |
| C19 | C14 | C13 | 120.9° | 120.0° |
| C14 | C19 | H8 | 119.6° | 120.0° |
| C14 | C13 | C12 | 111.5° | 109.4° |
| C14 | C13 | H4 | 108.9° | 109.5° |
| C14 | C13 | H5 | 109.0° | 109.4° |
| C13 | C12 | N3 | 113.5° | 109.5° |
| C13 | C12 | H2 | 108.4° | 109.5° |
| C13 | C12 | H3 | 108.4° | 109.5° |
| C12 | C13 | H4 | 109.0° | 109.5° |
| C12 | C13 | H5 | 108.9° | 109.5° |
| C12 | N3 | C6 | 121.3° | 111.0° |
| N3 | C12 | H2 | 108.5° | 109.5° |
| N3 | C12 | H3 | 108.5° | 109.4° |
| C12 | N3 | H20 | 106.4° | 111.0° |
| N1 | C8 | C7 | 116.0° | 109.5° |
| C8 | N1 | H15 | 109.5° | 111.0° |
| C8 | N1 | H16 | 109.5° | 111.0° |
| N1 | C8 | H18 | 107.8° | 109.4° |
| N1 | C8 | H19 | 107.8° | 109.5° |
| N3 | C6 | C7 | 131.7° | 126.4° |
| N3 | C6 | N | 123.1° | 126.5° |
| C6 | N3 | H20 | 106.4° | 111.0° |
| C8 | C7 | C6 | 131.3° | 125.7° |
| C8 | C7 | N2 | 117.4° | 125.8° |
| C7 | C8 | H18 | 107.8° | 109.5° |
| C7 | C8 | H19 | 107.8° | 109.5° |
| C7 | C6 | N | 105.2° | 107.1° |
| C6 | C7 | N2 | 111.3° | 108.5° |
| C6 | N | C5 | 131.5° | 132.5° |
| C6 | N | C9 | 106.4° | 107.0° |
| C7 | N2 | C9 | 105.6° | 109.2° |
| C5 | N | C9 | 122.1° | 120.4° |
| N | C5 | C4 | 118.5° | 120.5° |
| N | C5 | H23 | 120.7° | 119.8° |
| N | C9 | N2 | 111.5° | 108.1° |
| N | C9 | C10 | 118.3° | 119.7° |
| N2 | C9 | C10 | 130.2° | 132.2° |
| C5 | C4 | O | 122.4° | 119.9° |
| C5 | C4 | C11 | 121.1° | 120.2° |
| C4 | C5 | H23 | 120.7° | 119.7° |
| C | C1 | C2 | 120.2° | 120.1° |
| C | C1 | C23 | 121.0° | 120.1° |
| C1 | C | H28 | 109.5° | 109.5° |
| C1 | C | H29 | 109.5° | 109.5° |
| C1 | C | H30 | 109.5° | 109.5° |
| C9 | C10 | C11 | 119.4° | 119.4° |
| C9 | C10 | H24 | 120.3° | 120.2° |
| O | C3 | C2 | 111.2° | 109.5° |
| C3 | O | C4 | 117.1° | 117.0° |
| O | C3 | H25 | 109.0° | 109.5° |
| O | C3 | H26 | 109.0° | 109.5° |
| C3 | C2 | C1 | 119.6° | 119.9° |
| C3 | C2 | C20 | 120.5° | 120.0° |
| C2 | C3 | H25 | 109.0° | 109.5° |
| C2 | C3 | H26 | 109.1° | 109.5° |
| C26 | C27 | C28 | 119.7° | 120.3° |
| C27 | C26 | C25 | 120.3° | 120.1° |
| C26 | C27 | H12 | 120.1° | 119.9° |
| C27 | C26 | H31 | 119.9° | 119.9° |
| C27 | C28 | C29 | 120.3° | 120.1° |
| C28 | C27 | H12 | 120.1° | 119.8° |
| C27 | C28 | H13 | 119.8° | 120.0° |
| O | C4 | C11 | 116.5° | 119.9° |
| C4 | C11 | C10 | 120.5° | 119.8° |
| C4 | C11 | H1 | 119.7° | 120.1° |
| C26 | C25 | C24 | 120.7° | 119.9° |
| C26 | C25 | H11 | 119.6° | 120.0° |
| C25 | C26 | H31 | 119.8° | 120.0° |
| C28 | C29 | C24 | 120.7° | 119.9° |
| C29 | C28 | H13 | 119.9° | 119.9° |
| C28 | C29 | H14 | 119.6° | 120.1° |
| C2 | C1 | C23 | 118.8° | 119.8° |
| C1 | C2 | C20 | 119.9° | 120.1° |
| C1 | C23 | C24 | 121.8° | 120.1° |
| C1 | C23 | C22 | 120.2° | 119.8° |
| C25 | C24 | C29 | 118.2° | 119.7° |
| C25 | C24 | C23 | 120.8° | 120.1° |
| C24 | C25 | H11 | 119.6° | 120.1° |
| C29 | C24 | C23 | 120.9° | 120.1° |
| C24 | C29 | H14 | 119.6° | 120.0° |
| C10 | C11 | H1 | 119.7° | 120.1° |
| C11 | C10 | H24 | 120.3° | 120.4° |
| C2 | C20 | C21 | 120.6° | 120.3° |
| C2 | C20 | H9 | 119.7° | 119.8° |
| C24 | C23 | C22 | 118.0° | 120.1° |
| C23 | C22 | C21 | 120.1° | 119.9° |
| C23 | C22 | H27 | 119.9° | 120.1° |
| C20 | C21 | C22 | 120.2° | 120.1° |
| C21 | C20 | H9 | 119.7° | 119.9° |
| C20 | C21 | H10 | 119.9° | 119.9° |
| C22 | C21 | H10 | 119.9° | 119.9° |
| C21 | C22 | H27 | 119.9° | 120.1° |
| H2 | C12 | H3 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H15 | N1 | H16 | 109.5° | 111.0° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H25 | C3 | H26 | 109.5° | 109.4° |
| H28 | C | H29 | 109.5° | 109.4° |
| H28 | C | H30 | 109.5° | 109.4° |
| H29 | C | H30 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H7 | 180.0° | 179.8° |
| C17 | C16 | C15 | H22 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.0° | 0.3° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C17 | C16 | C15 | H6 | 180.0° | 179.9° |
| C16 | C17 | C18 | H21 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.4° | 0.2° |
| C17 | C18 | C19 | H21 | 180.0° | 179.6° |
| C17 | C18 | C19 | C14 | 0.7° | 0.1° |
| C17 | C18 | C19 | H8 | 179.3° | 180.0° |
| C18 | C17 | C16 | H22 | 179.6° | 180.0° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.7° | 0.3° |
| C16 | C15 | C14 | C13 | 177.6° | 180.0° |
| C15 | C16 | C17 | H7 | 179.6° | 180.0° |
| C18 | C19 | C14 | C15 | 1.0° | 0.2° |
| C18 | C19 | C14 | H8 | 180.0° | 179.9° |
| C18 | C19 | C14 | C13 | 177.2° | 179.9° |
| C19 | C18 | C17 | H7 | 179.9° | 179.9° |
| C15 | C14 | C19 | C13 | 178.3° | 179.7° |
| C15 | C14 | C13 | C12 | 145.0° | 90.0° |
| C15 | C14 | C13 | H4 | 94.7° | 30.0° |
| C15 | C14 | C13 | H5 | 24.6° | 150.0° |
| C15 | C14 | C19 | H8 | 178.9° | 179.7° |
| C14 | C15 | C16 | H22 | 179.9° | 179.8° |
| C19 | C14 | C13 | C12 | 33.3° | 90.3° |
| C19 | C14 | C13 | H4 | 87.1° | 149.7° |
| C19 | C14 | C13 | H5 | 153.6° | 29.7° |
| C19 | C14 | C15 | H6 | 179.3° | 179.7° |
| C14 | C19 | C18 | H21 | 179.3° | 179.7° |
| C14 | C13 | C12 | H4 | 120.3° | 120.0° |
| C14 | C13 | C12 | H5 | 120.3° | 119.9° |
| C14 | C13 | C12 | N3 | 151.4° | 180.0° |
| C14 | C13 | C12 | H2 | 30.8° | 60.0° |
| C14 | C13 | C12 | H3 | 88.0° | 60.0° |
| C14 | C13 | H4 | H5 | 119.1° | 120.0° |
| C13 | C14 | C15 | H6 | 2.4° | 0.0° |
| C13 | C14 | C19 | H8 | 2.8° | 0.0° |
| C13 | C12 | N3 | H2 | 120.6° | 120.1° |
| C13 | C12 | N3 | H3 | 120.6° | 120.0° |
| C13 | C12 | N3 | C6 | 154.2° | 172.2° |
| C13 | C12 | H2 | H3 | 118.1° | 120.0° |
| C12 | C13 | H4 | H5 | 119.0° | 120.1° |
| C13 | C12 | N3 | H20 | 84.2° | 63.8° |
| C12 | N3 | C6 | H20 | 121.7° | 124.0° |
| C12 | N3 | C6 | C7 | 0.8° | 172.1° |
| C12 | N3 | C6 | N | 179.2° | 7.3° |
| N3 | C12 | H2 | H3 | 118.2° | 119.9° |
| N3 | C12 | C13 | H4 | 88.3° | 60.0° |
| N3 | C12 | C13 | H5 | 31.1° | 60.0° |
| N1 | C8 | C7 | H18 | 120.9° | 120.0° |
| N1 | C8 | C7 | H19 | 120.9° | 120.0° |
| N1 | C8 | C7 | C6 | 88.8° | 89.4° |
| N1 | C8 | C7 | N2 | 93.0° | 89.9° |
| C8 | N1 | H15 | H16 | 120.0° | 124.0° |
| N1 | C8 | H18 | H19 | 117.1° | 120.0° |
| N3 | C6 | C7 | C8 | 4.1° | 0.6° |
| N3 | C6 | C7 | N | 178.6° | 179.5° |
| N3 | C6 | C7 | N2 | 177.5° | 180.0° |
| N3 | C6 | N | C5 | 3.2° | 0.5° |
| N3 | C6 | N | C9 | 177.8° | 179.8° |
| C6 | N3 | C12 | H2 | 33.6° | 52.2° |
| C6 | N3 | C12 | H3 | 85.2° | 67.8° |
| C8 | C7 | C6 | N2 | 178.4° | 179.4° |
| C8 | C7 | C6 | N | 177.2° | 179.9° |
| C8 | C7 | N2 | C9 | 177.9° | 180.0° |
| C7 | C8 | N1 | H15 | 180.0° | 180.0° |
| C7 | C8 | N1 | H16 | 60.0° | 56.1° |
| C7 | C8 | H18 | H19 | 117.0° | 120.0° |
| C7 | C6 | N | C5 | 178.1° | 180.0° |
| C7 | C6 | N | C9 | 1.0° | 0.3° |
| C6 | C7 | N2 | C9 | 0.8° | 0.5° |
| C6 | C7 | C8 | H18 | 150.3° | 150.6° |
| C6 | C7 | C8 | H19 | 32.2° | 30.6° |
| C7 | C6 | N3 | H20 | 122.4° | 63.9° |
| N | C6 | C7 | N2 | 1.1° | 0.5° |
| C6 | N | C5 | C9 | 178.9° | 179.7° |
| C6 | N | C9 | N2 | 0.6° | 0.0° |
| C6 | N | C5 | C4 | 179.1° | 180.0° |
| C6 | N | C9 | C10 | 179.8° | 179.9° |
| N | C6 | N3 | H20 | 59.1° | 116.7° |
| C6 | N | C5 | H23 | 0.9° | 0.0° |
| C7 | N2 | C9 | N | 0.1° | 0.3° |
| C7 | N2 | C9 | C10 | 179.0° | 179.6° |
| N2 | C7 | C8 | H18 | 28.0° | 30.0° |
| N2 | C7 | C8 | H19 | 146.1° | 150.0° |
| C5 | N | C9 | N2 | 178.6° | 179.7° |
| N | C5 | C4 | H23 | 180.0° | 179.9° |
| C5 | N | C9 | C10 | 0.6° | 0.3° |
| N | C5 | C4 | O | 178.8° | 180.0° |
| N | C5 | C4 | C11 | 0.3° | 0.1° |
| N | C9 | N2 | C10 | 179.0° | 180.0° |
| C9 | N | C5 | C4 | 0.2° | 0.3° |
| N | C9 | C10 | C11 | 0.6° | 0.0° |
| C9 | N | C5 | H23 | 179.8° | 179.7° |
| N | C9 | C10 | H24 | 179.4° | 180.0° |
| N2 | C9 | C10 | C11 | 178.4° | 180.0° |
| N2 | C9 | C10 | H24 | 1.6° | 0.0° |
| C5 | C4 | O | C3 | 47.0° | 0.0° |
| C5 | C4 | O | C11 | 179.1° | 179.9° |
| C5 | C4 | C11 | C10 | 0.3° | 0.2° |
| C5 | C4 | C11 | H1 | 179.7° | 180.0° |
| C | C1 | C2 | C3 | 2.3° | 0.0° |
| C | C1 | C2 | C23 | 178.5° | 179.5° |
| C | C1 | C2 | C20 | 177.4° | 180.0° |
| C | C1 | C23 | C24 | 4.5° | 0.2° |
| C | C1 | C23 | C22 | 176.8° | 179.7° |
| C1 | C | H28 | H29 | 120.0° | 120.1° |
| C1 | C | H28 | H30 | 120.0° | 120.1° |
| C1 | C | H29 | H30 | 120.0° | 120.0° |
| C9 | C10 | C11 | C4 | 0.1° | 0.2° |
| C9 | C10 | C11 | H24 | 180.0° | 180.0° |
| C9 | C10 | C11 | H1 | 179.9° | 180.0° |
| O | C3 | C2 | H25 | 120.2° | 120.0° |
| O | C3 | C2 | H26 | 120.3° | 120.0° |
| C3 | O | C4 | C11 | 133.9° | 179.9° |
| O | C3 | C2 | C1 | 170.1° | 180.0° |
| O | C3 | C2 | C20 | 10.3° | 0.1° |
| O | C3 | H25 | H26 | 119.2° | 120.0° |
| C2 | C3 | O | C4 | 164.6° | 180.0° |
| C3 | C2 | C1 | C20 | 179.7° | 179.9° |
| C3 | C2 | C1 | C23 | 179.2° | 179.4° |
| C3 | C2 | C20 | C21 | 179.7° | 180.0° |
| C3 | C2 | C20 | H9 | 0.3° | 0.4° |
| C2 | C3 | H25 | H26 | 119.2° | 120.0° |
| C26 | C27 | C28 | H12 | 180.0° | 179.6° |
| C27 | C26 | C25 | H31 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 0.0° | 0.3° |
| C27 | C26 | C25 | C24 | 0.5° | 0.0° |
| C27 | C26 | C25 | H11 | 179.5° | 179.9° |
| C26 | C27 | C28 | H13 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.4° | 0.3° |
| C27 | C28 | C29 | H13 | 180.0° | 179.7° |
| C27 | C28 | C29 | C24 | 0.3° | 0.0° |
| C27 | C28 | C29 | H14 | 179.7° | 180.0° |
| C28 | C27 | C26 | H31 | 179.6° | 180.0° |
| O | C4 | C11 | C10 | 178.8° | 179.7° |
| O | C4 | C11 | H1 | 1.2° | 0.1° |
| O | C4 | C5 | H23 | 1.2° | 0.1° |
| C4 | O | C3 | H25 | 75.1° | 60.0° |
| C4 | O | C3 | H26 | 44.4° | 60.0° |
| C4 | C11 | C10 | H1 | 180.0° | 179.8° |
| C11 | C4 | C5 | H23 | 179.8° | 180.0° |
| C4 | C11 | C10 | H24 | 179.8° | 179.8° |
| C26 | C25 | C24 | H11 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.3° | 0.2° |
| C26 | C25 | C24 | C23 | 178.5° | 180.0° |
| C25 | C26 | C27 | H12 | 179.6° | 179.9° |
| C28 | C29 | C24 | C25 | 0.1° | 0.2° |
| C28 | C29 | C24 | H14 | 180.0° | 179.9° |
| C28 | C29 | C24 | C23 | 178.9° | 180.0° |
| C29 | C28 | C27 | H12 | 180.0° | 179.9° |
| C2 | C1 | C23 | C24 | 177.0° | 179.7° |
| C2 | C1 | C23 | C22 | 1.7° | 0.8° |
| C1 | C2 | C20 | C21 | 0.0° | 0.1° |
| C1 | C2 | C20 | H9 | 180.0° | 179.7° |
| C1 | C2 | C3 | H25 | 69.7° | 60.0° |
| C1 | C2 | C3 | H26 | 49.8° | 59.9° |
| C2 | C1 | C | H28 | 90.8° | 85.0° |
| C2 | C1 | C | H29 | 149.2° | 154.9° |
| C2 | C1 | C | H30 | 29.3° | 35.0° |
| C1 | C23 | C24 | C25 | 54.5° | 56.1° |
| C1 | C23 | C24 | C29 | 124.2° | 124.2° |
| C23 | C1 | C2 | C20 | 1.1° | 0.5° |
| C1 | C23 | C24 | C22 | 178.7° | 179.5° |
| C1 | C23 | C22 | C21 | 1.1° | 0.5° |
| C1 | C23 | C22 | H27 | 178.9° | 179.9° |
| C23 | C1 | C | H28 | 90.8° | 94.4° |
| C23 | C1 | C | H29 | 29.3° | 25.6° |
| C23 | C1 | C | H30 | 149.2° | 145.5° |
| C25 | C24 | C29 | C23 | 178.7° | 179.8° |
| C25 | C24 | C23 | C22 | 124.2° | 124.4° |
| C25 | C24 | C29 | H14 | 179.9° | 179.7° |
| C24 | C25 | C26 | H31 | 179.5° | 179.7° |
| C29 | C24 | C23 | C22 | 57.1° | 55.3° |
| C29 | C24 | C25 | H11 | 179.7° | 179.8° |
| C24 | C29 | C28 | H13 | 179.7° | 179.7° |
| C2 | C20 | C21 | H9 | 180.0° | 179.6° |
| C2 | C20 | C21 | C22 | 0.6° | 0.3° |
| C2 | C20 | C21 | H10 | 179.5° | 179.7° |
| C20 | C2 | C3 | H25 | 110.0° | 120.1° |
| C20 | C2 | C3 | H26 | 130.5° | 120.0° |
| C24 | C23 | C22 | C21 | 177.6° | 180.0° |
| C23 | C24 | C25 | H11 | 1.5° | 0.1° |
| C23 | C24 | C29 | H14 | 1.2° | 0.0° |
| C24 | C23 | C22 | H27 | 2.4° | 0.6° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | H27 | 180.0° | 179.4° |
| C23 | C22 | C21 | H10 | 180.0° | 180.0° |
| C20 | C21 | C22 | H10 | 180.0° | 179.9° |
| C20 | C21 | C22 | H27 | 180.0° | 179.4° |
| C22 | C21 | C20 | H9 | 179.4° | 180.0° |
| H1 | C11 | C10 | H24 | 0.1° | 0.0° |
| H2 | C12 | C13 | H4 | 151.1° | 60.0° |
| H2 | C12 | C13 | H5 | 89.5° | 179.9° |
| H2 | C12 | N3 | H20 | 155.3° | 176.1° |
| H3 | C12 | C13 | H4 | 32.3° | 180.0° |
| H3 | C12 | C13 | H5 | 151.6° | 60.0° |
| H3 | C12 | N3 | H20 | 36.4° | 56.2° |
| H6 | C15 | C16 | H22 | 0.1° | 0.2° |
| H7 | C17 | C18 | H21 | 0.0° | 0.3° |
| H7 | C17 | C16 | H22 | 0.5° | 0.2° |
| H8 | C19 | C18 | H21 | 0.7° | 0.4° |
| H9 | C20 | C21 | H10 | 0.5° | 0.1° |
| H10 | C21 | C22 | H27 | 0.0° | 0.6° |
| H11 | C25 | C26 | H31 | 0.5° | 0.2° |
| H12 | C27 | C28 | H13 | 0.0° | 0.4° |
| H12 | C27 | C26 | H31 | 0.4° | 0.4° |
| H13 | C28 | C29 | H14 | 0.2° | 0.3° |
| H15 | N1 | C8 | H18 | 59.1° | 60.0° |
| H15 | N1 | C8 | H19 | 59.1° | 59.9° |
| H16 | N1 | C8 | H18 | 60.9° | 63.9° |
| H16 | N1 | C8 | H19 | 179.1° | 176.1° |
| H28 | C | H29 | H30 | 120.0° | 119.9° |
