S4K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| F | C8 | sing | 1.35Å | 1.36Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.41Å | |
| N1 | C1 | sing | 1.35Å | 1.36Å | |
| C5 | N | sing | 1.40Å | 1.42Å | |
| C | C1 | sing | 1.51Å | 1.49Å | |
| N | C3 | sing | 1.35Å | 1.39Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | |
| C3 | C2 | sing | 1.47Å | 1.43Å | |
| C3 | O | doub | 1.22Å | 1.22Å | |
| C2 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | O1 | doub | 1.22Å | 1.23Å | |
| C11 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C12 | sing | 1.40Å | 1.42Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | F1 | sing | 1.35Å | 1.35Å | |
| C15 | O2 | sing | 1.36Å | 1.38Å | |
| O2 | C18 | sing | 1.36Å | 1.38Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.47Å | 1.45Å | Aromatic |
| N3 | C21 | sing | 1.33Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C25 | C23 | sing | 1.48Å | 1.49Å | |
| C25 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C24 | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | N | 121.8° | 125.0° |
| C4 | N1 | C1 | 128.6° | 125.1° |
| N1 | C4 | H17 | 109.5° | 109.5° |
| N1 | C4 | H18 | 109.5° | 109.4° |
| N1 | C4 | H19 | 109.4° | 109.5° |
| F | C8 | C9 | 118.6° | 119.9° |
| F | C8 | C7 | 118.4° | 120.0° |
| C9 | C8 | C7 | 123.0° | 120.1° |
| C8 | C9 | C10 | 118.3° | 120.0° |
| C8 | C9 | H2 | 120.8° | 120.0° |
| C8 | C7 | C6 | 118.3° | 120.0° |
| C8 | C7 | H1 | 120.8° | 120.0° |
| C9 | C10 | C5 | 120.3° | 119.9° |
| C10 | C9 | H2 | 120.9° | 120.0° |
| C9 | C10 | H3 | 119.8° | 120.0° |
| C7 | C6 | C5 | 120.3° | 119.9° |
| C6 | C7 | H1 | 120.9° | 119.9° |
| C7 | C6 | H23 | 119.9° | 120.0° |
| C10 | C5 | C6 | 119.8° | 119.9° |
| C10 | C5 | N | 120.2° | 120.0° |
| C5 | C10 | H3 | 119.9° | 120.1° |
| C6 | C5 | N | 119.7° | 120.0° |
| C5 | C6 | H23 | 119.9° | 120.0° |
| N | N1 | C1 | 107.9° | 109.9° |
| N1 | N | C5 | 119.1° | 125.7° |
| N1 | N | C3 | 109.4° | 108.6° |
| N1 | C1 | C | 120.2° | 125.7° |
| N1 | C1 | C2 | 109.1° | 108.5° |
| C5 | N | C3 | 125.1° | 125.7° |
| C | C1 | C2 | 130.7° | 125.8° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C | H21 | 109.4° | 109.5° |
| C1 | C | H22 | 109.4° | 109.5° |
| N | C3 | C2 | 105.5° | 106.5° |
| N | C3 | O | 123.9° | 126.8° |
| C1 | C2 | C3 | 108.1° | 106.5° |
| C1 | C2 | C11 | 127.7° | 126.7° |
| C2 | C3 | O | 130.6° | 126.7° |
| C3 | C2 | C11 | 123.8° | 126.8° |
| C2 | C11 | O1 | 120.4° | 120.0° |
| C2 | C11 | N2 | 115.3° | 120.0° |
| O1 | C11 | N2 | 124.3° | 120.0° |
| C11 | N2 | C12 | 129.2° | 120.0° |
| C11 | N2 | H16 | 115.4° | 119.9° |
| N2 | C12 | C13 | 125.7° | 120.0° |
| N2 | C12 | C17 | 114.8° | 120.0° |
| C12 | N2 | H16 | 115.4° | 120.0° |
| C13 | C12 | C17 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C12 | C13 | H4 | 119.7° | 120.0° |
| C12 | C17 | C16 | 118.8° | 119.9° |
| C12 | C17 | H15 | 120.6° | 120.0° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C14 | C13 | H4 | 119.7° | 120.0° |
| C13 | C14 | H5 | 120.2° | 119.9° |
| C17 | C16 | C15 | 122.8° | 120.0° |
| C17 | C16 | F1 | 118.8° | 120.0° |
| C16 | C17 | H15 | 120.6° | 120.0° |
| C14 | C15 | C16 | 118.7° | 120.0° |
| C14 | C15 | O2 | 122.7° | 120.0° |
| C15 | C14 | H5 | 120.2° | 120.0° |
| C15 | C16 | F1 | 118.3° | 120.0° |
| C16 | C15 | O2 | 118.6° | 120.0° |
| C15 | O2 | C18 | 120.0° | 118.0° |
| O2 | C18 | C19 | 123.7° | 121.0° |
| O2 | C18 | C22 | 114.9° | 121.1° |
| C18 | C19 | C20 | 117.9° | 119.2° |
| C19 | C18 | C22 | 121.4° | 118.0° |
| C18 | C19 | H6 | 121.0° | 120.4° |
| C19 | C20 | N3 | 124.1° | 121.7° |
| C20 | C19 | H6 | 121.0° | 120.4° |
| C19 | C20 | H7 | 118.0° | 119.2° |
| C18 | C22 | C21 | 114.3° | 119.5° |
| C18 | C22 | C23 | 139.2° | 134.2° |
| C20 | N3 | C21 | 116.3° | 121.8° |
| N3 | C20 | H7 | 118.0° | 119.2° |
| C26 | C27 | C28 | 120.3° | 120.1° |
| C27 | C26 | C25 | 120.4° | 119.8° |
| C26 | C27 | H9 | 119.8° | 119.9° |
| C27 | C26 | H13 | 119.8° | 120.1° |
| C27 | C28 | C29 | 119.8° | 120.3° |
| C28 | C27 | H9 | 119.8° | 119.9° |
| C27 | C28 | H12 | 120.1° | 119.9° |
| C26 | C25 | C23 | 120.8° | 120.1° |
| C26 | C25 | C30 | 118.6° | 119.8° |
| C25 | C26 | H13 | 119.8° | 120.1° |
| C21 | C22 | C23 | 106.4° | 106.3° |
| C22 | C21 | N3 | 125.9° | 119.8° |
| C22 | C21 | N4 | 107.8° | 107.2° |
| C22 | C23 | C25 | 129.0° | 126.7° |
| C22 | C23 | C24 | 106.0° | 106.5° |
| N3 | C21 | N4 | 126.3° | 132.9° |
| C28 | C29 | C30 | 120.2° | 120.1° |
| C28 | C29 | H11 | 119.9° | 119.9° |
| C29 | C28 | H12 | 120.1° | 119.9° |
| C21 | N4 | C24 | 109.5° | 110.3° |
| C21 | N4 | H14 | 125.2° | 124.9° |
| C23 | C25 | C30 | 120.6° | 120.1° |
| C25 | C23 | C24 | 124.8° | 126.7° |
| C25 | C30 | C29 | 120.6° | 119.9° |
| C25 | C30 | H10 | 119.7° | 120.1° |
| C23 | C24 | N4 | 110.2° | 109.7° |
| C23 | C24 | H8 | 124.9° | 125.2° |
| C29 | C30 | H10 | 119.7° | 120.0° |
| C30 | C29 | H11 | 119.9° | 120.0° |
| N4 | C24 | H8 | 124.9° | 125.2° |
| C24 | N4 | H14 | 125.2° | 124.9° |
| H17 | C4 | H18 | 109.5° | 109.5° |
| H17 | C4 | H19 | 109.5° | 109.5° |
| H18 | C4 | H19 | 109.4° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
| H20 | C | H22 | 109.5° | 109.4° |
| H21 | C | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | N | C1 | 166.5° | 180.0° |
| C4 | N1 | N | C5 | 37.3° | 0.0° |
| C4 | N1 | C1 | C | 15.1° | 0.2° |
| C4 | N1 | N | C3 | 169.4° | 180.0° |
| C4 | N1 | C1 | C2 | 166.7° | 180.0° |
| N1 | C4 | H17 | H18 | 120.0° | 119.9° |
| N1 | C4 | H17 | H19 | 120.0° | 120.1° |
| N1 | C4 | H18 | H19 | 120.0° | 120.0° |
| F | C8 | C9 | C7 | 179.9° | 179.9° |
| F | C8 | C9 | C10 | 179.2° | 180.0° |
| F | C8 | C7 | C6 | 180.0° | 179.9° |
| F | C8 | C7 | H1 | 0.0° | 0.3° |
| F | C8 | C9 | H2 | 0.8° | 0.1° |
| C8 | C9 | C10 | H2 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C8 | C9 | C10 | C5 | 2.2° | 0.1° |
| C9 | C8 | C7 | H1 | 179.9° | 179.8° |
| C8 | C9 | C10 | H3 | 177.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 0.1° |
| C8 | C7 | C6 | H1 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C7 | C8 | C9 | H2 | 179.1° | 180.0° |
| C8 | C7 | C6 | H23 | 179.4° | 179.7° |
| C9 | C10 | C5 | H3 | 180.0° | 179.9° |
| C9 | C10 | C5 | C6 | 2.7° | 0.1° |
| C9 | C10 | C5 | N | 176.1° | 180.0° |
| C7 | C6 | C5 | C10 | 1.9° | 0.0° |
| C7 | C6 | C5 | H23 | 180.0° | 179.7° |
| C7 | C6 | C5 | N | 175.3° | 180.0° |
| C10 | C5 | C6 | N | 173.4° | 180.0° |
| C10 | C5 | N | N1 | 120.1° | 48.3° |
| C10 | C5 | N | C3 | 91.2° | 131.7° |
| C5 | C10 | C9 | H2 | 177.8° | 180.0° |
| C10 | C5 | C6 | H23 | 178.1° | 179.7° |
| C6 | C5 | N | N1 | 53.3° | 131.7° |
| C6 | C5 | N | C3 | 95.5° | 48.3° |
| C5 | C6 | C7 | H1 | 179.4° | 179.7° |
| C6 | C5 | C10 | H3 | 177.3° | 179.9° |
| N1 | N | C5 | C3 | 148.8° | 180.0° |
| N | N1 | C1 | C | 179.6° | 179.7° |
| N | N1 | C1 | C2 | 1.4° | 0.0° |
| N1 | N | C3 | C2 | 3.1° | 0.0° |
| N1 | N | C3 | O | 179.3° | 180.0° |
| N | N1 | C4 | H17 | 180.0° | 89.8° |
| N | N1 | C4 | H18 | 60.0° | 150.3° |
| N | N1 | C4 | H19 | 60.0° | 30.3° |
| C1 | N1 | N | C5 | 156.1° | 180.0° |
| N1 | C1 | C | C2 | 177.7° | 179.7° |
| C1 | N1 | N | C3 | 2.9° | 0.0° |
| N1 | C1 | C2 | C3 | 0.5° | 0.0° |
| N1 | C1 | C2 | C11 | 173.1° | 180.0° |
| C1 | N1 | C4 | H17 | 16.5° | 90.2° |
| C1 | N1 | C4 | H18 | 136.5° | 29.8° |
| C1 | N1 | C4 | H19 | 103.5° | 149.8° |
| N1 | C1 | C | H20 | 180.0° | 179.7° |
| N1 | C1 | C | H21 | 60.0° | 60.3° |
| N1 | C1 | C | H22 | 60.0° | 59.8° |
| C5 | N | C3 | C2 | 154.4° | 180.0° |
| C5 | N | C3 | O | 28.0° | 0.0° |
| N | C5 | C10 | H3 | 3.9° | 0.1° |
| N | C5 | C6 | H23 | 4.7° | 0.3° |
| C | C1 | C2 | C3 | 177.4° | 179.7° |
| C | C1 | C2 | C11 | 4.8° | 0.3° |
| C1 | C | H20 | H21 | 120.0° | 120.1° |
| C1 | C | H20 | H22 | 120.0° | 120.0° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| N | C3 | C2 | C1 | 2.2° | 0.0° |
| N | C3 | C2 | O | 177.4° | 180.0° |
| N | C3 | C2 | C11 | 175.2° | 180.0° |
| C1 | C2 | C3 | C11 | 173.0° | 180.0° |
| C1 | C2 | C3 | O | 179.6° | 180.0° |
| C1 | C2 | C11 | O1 | 1.4° | 0.0° |
| C1 | C2 | C11 | N2 | 176.2° | 180.0° |
| C2 | C1 | C | H20 | 2.3° | 0.0° |
| C2 | C1 | C | H21 | 117.7° | 120.0° |
| C2 | C1 | C | H22 | 122.3° | 120.0° |
| C3 | C2 | C11 | O1 | 173.0° | 180.0° |
| C3 | C2 | C11 | N2 | 4.6° | 0.0° |
| O | C3 | C2 | C11 | 7.4° | 0.1° |
| C2 | C11 | O1 | N2 | 177.4° | 180.0° |
| C2 | C11 | N2 | C12 | 177.8° | 176.2° |
| C2 | C11 | N2 | H16 | 2.2° | 3.8° |
| O1 | C11 | N2 | C12 | 0.3° | 3.8° |
| O1 | C11 | N2 | H16 | 179.7° | 176.3° |
| C11 | N2 | C12 | H16 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 18.7° | 145.8° |
| C11 | N2 | C12 | C17 | 158.8° | 34.5° |
| N2 | C12 | C13 | C17 | 177.4° | 179.7° |
| N2 | C12 | C13 | C14 | 178.6° | 179.8° |
| N2 | C12 | C17 | C16 | 177.8° | 179.8° |
| N2 | C12 | C13 | H4 | 1.4° | 0.3° |
| N2 | C12 | C17 | H15 | 2.2° | 0.3° |
| C12 | C13 | C14 | H4 | 180.0° | 179.9° |
| C13 | C12 | C17 | C16 | 0.1° | 0.1° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H5 | 179.7° | 180.0° |
| C13 | C12 | C17 | H15 | 179.9° | 180.0° |
| C13 | C12 | N2 | H16 | 161.3° | 34.3° |
| C17 | C12 | C13 | C14 | 1.2° | 0.0° |
| C12 | C17 | C16 | H15 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 2.0° | 0.1° |
| C12 | C17 | C16 | F1 | 178.7° | 180.0° |
| C17 | C12 | C13 | H4 | 178.8° | 179.9° |
| C17 | C12 | N2 | H16 | 21.2° | 145.5° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.7° | 0.0° |
| C13 | C14 | C15 | O2 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 2.9° | 0.0° |
| C17 | C16 | C15 | F1 | 176.8° | 179.9° |
| C17 | C16 | C15 | O2 | 178.4° | 180.0° |
| C14 | C15 | C16 | O2 | 178.7° | 180.0° |
| C14 | C15 | C16 | F1 | 179.7° | 180.0° |
| C14 | C15 | O2 | C18 | 70.1° | 94.7° |
| C15 | C14 | C13 | H4 | 179.7° | 179.9° |
| C16 | C15 | O2 | C18 | 108.5° | 85.3° |
| C16 | C15 | C14 | H5 | 178.3° | 180.0° |
| C15 | C16 | C17 | H15 | 178.0° | 180.0° |
| F1 | C16 | C15 | O2 | 1.6° | 0.0° |
| F1 | C16 | C17 | H15 | 1.2° | 0.0° |
| C15 | O2 | C18 | C19 | 18.2° | 3.6° |
| C15 | O2 | C18 | C22 | 162.6° | 176.4° |
| O2 | C15 | C14 | H5 | 0.3° | 0.0° |
| O2 | C18 | C19 | C22 | 179.1° | 180.0° |
| O2 | C18 | C19 | C20 | 178.4° | 180.0° |
| O2 | C18 | C22 | C21 | 179.6° | 180.0° |
| O2 | C18 | C22 | C23 | 2.4° | 0.0° |
| O2 | C18 | C19 | H6 | 1.6° | 0.3° |
| C18 | C19 | C20 | H6 | 180.0° | 179.7° |
| C18 | C19 | C20 | N3 | 0.8° | 0.0° |
| C19 | C18 | C22 | C21 | 1.2° | 0.0° |
| C19 | C18 | C22 | C23 | 178.4° | 180.0° |
| C18 | C19 | C20 | H7 | 179.2° | 180.0° |
| C20 | C19 | C18 | C22 | 2.5° | 0.0° |
| C19 | C20 | N3 | H7 | 180.0° | 180.0° |
| C19 | C20 | N3 | C21 | 2.1° | 0.0° |
| C18 | C22 | C21 | C23 | 178.1° | 180.0° |
| C18 | C22 | C21 | N3 | 2.0° | 0.1° |
| C18 | C22 | C21 | N4 | 179.8° | 180.0° |
| C18 | C22 | C23 | C25 | 5.2° | 0.0° |
| C18 | C22 | C23 | C24 | 179.2° | 180.0° |
| C22 | C18 | C19 | H6 | 177.5° | 179.7° |
| C20 | N3 | C21 | C22 | 3.6° | 0.1° |
| C20 | N3 | C21 | N4 | 178.9° | 180.0° |
| N3 | C20 | C19 | H6 | 179.2° | 179.7° |
| C26 | C27 | C28 | H9 | 180.0° | 179.8° |
| C27 | C26 | C25 | H13 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.8° | 0.1° |
| C27 | C26 | C25 | C23 | 179.5° | 179.9° |
| C27 | C26 | C25 | C30 | 0.5° | 0.0° |
| C26 | C27 | C28 | H12 | 178.2° | 179.9° |
| C28 | C27 | C26 | C25 | 1.5° | 0.0° |
| C27 | C28 | C29 | H12 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C27 | C28 | C29 | H11 | 179.9° | 180.0° |
| C28 | C27 | C26 | H13 | 178.5° | 180.0° |
| C26 | C25 | C23 | C22 | 56.7° | 49.9° |
| C26 | C25 | C23 | C30 | 179.0° | 179.9° |
| C26 | C25 | C23 | C24 | 128.4° | 130.0° |
| C26 | C25 | C30 | C29 | 2.2° | 0.0° |
| C25 | C26 | C27 | H9 | 178.5° | 179.8° |
| C26 | C25 | C30 | H10 | 177.8° | 180.0° |
| C22 | C21 | N3 | N4 | 177.5° | 180.0° |
| C21 | C22 | C23 | C25 | 177.4° | 179.9° |
| C21 | C22 | C23 | C24 | 1.8° | 0.0° |
| C22 | C21 | N4 | C24 | 1.0° | 0.0° |
| C22 | C21 | N4 | H14 | 179.0° | 179.9° |
| C23 | C22 | C21 | N3 | 176.1° | 180.0° |
| C23 | C22 | C21 | N4 | 1.7° | 0.0° |
| C22 | C23 | C25 | C24 | 174.9° | 179.9° |
| C22 | C23 | C25 | C30 | 122.3° | 130.0° |
| C22 | C23 | C24 | N4 | 1.3° | 0.0° |
| C22 | C23 | C24 | H8 | 178.8° | 180.0° |
| N3 | C21 | N4 | C24 | 176.9° | 179.9° |
| C21 | N3 | C20 | H7 | 177.9° | 179.9° |
| N3 | C21 | N4 | H14 | 3.1° | 0.1° |
| C28 | C29 | C30 | C25 | 2.0° | 0.0° |
| C28 | C29 | C30 | H11 | 180.0° | 179.9° |
| C29 | C28 | C27 | H9 | 178.2° | 179.7° |
| C28 | C29 | C30 | H10 | 178.0° | 180.0° |
| C21 | N4 | C24 | C23 | 0.2° | 0.0° |
| C21 | N4 | C24 | H14 | 180.0° | 179.9° |
| C21 | N4 | C24 | H8 | 179.8° | 180.0° |
| C23 | C25 | C30 | C29 | 178.8° | 179.9° |
| C25 | C23 | C24 | N4 | 177.1° | 179.9° |
| C25 | C23 | C24 | H8 | 2.9° | 0.0° |
| C23 | C25 | C30 | H10 | 1.2° | 0.0° |
| C23 | C25 | C26 | H13 | 0.5° | 0.0° |
| C30 | C25 | C23 | C24 | 52.6° | 50.1° |
| C25 | C30 | C29 | H10 | 180.0° | 180.0° |
| C25 | C30 | C29 | H11 | 178.1° | 179.9° |
| C30 | C25 | C26 | H13 | 179.5° | 180.0° |
| C23 | C24 | N4 | H8 | 180.0° | 180.0° |
| C23 | C24 | N4 | H14 | 179.8° | 179.9° |
| C30 | C29 | C28 | H12 | 179.9° | 179.9° |
| H1 | C7 | C6 | H23 | 0.6° | 0.0° |
| H2 | C9 | C10 | H3 | 2.2° | 0.1° |
| H4 | C13 | C14 | H5 | 0.3° | 0.1° |
| H6 | C19 | C20 | H7 | 0.8° | 0.3° |
| H8 | C24 | N4 | H14 | 0.2° | 0.1° |
| H9 | C27 | C28 | H12 | 1.8° | 0.3° |
| H9 | C27 | C26 | H13 | 1.5° | 0.2° |
| H10 | C30 | C29 | H11 | 1.9° | 0.1° |
| H11 | C29 | C28 | H12 | 0.1° | 0.0° |
| H17 | C4 | H18 | H19 | 120.0° | 120.0° |
| H20 | C | H21 | H22 | 120.0° | 119.9° |
