XKN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | O3 | sing | 1.36Å | 1.36Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C20 | O3 | sing | 1.43Å | 1.43Å | |
| C17 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C16 | sing | 1.36Å | 1.36Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.36Å | 1.38Å | Aromatic |
| C25 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| C27 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.50Å | |
| C28 | N2 | sing | 1.47Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C12 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | O4 | doub | 1.22Å | 1.23Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C29 | N1 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C30 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | trip | 1.17Å | 1.18Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S1 | sing | 1.76Å | 1.77Å | |
| S1 | O2 | doub | 1.42Å | 1.45Å | |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| S1 | F1 | sing | 1.61Å | 1.60Å | |
| C1 | H1 | sing | 1.05Å | 1.06Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C4 | H24 | sing | 1.08Å | 1.08Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.4° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.1° |
| C23 | C22 | H14 | 119.8° | 119.9° |
| C22 | C23 | H15 | 120.0° | 119.9° |
| C22 | C21 | C19 | 119.6° | 120.0° |
| C22 | C21 | H13 | 120.2° | 120.0° |
| C21 | C22 | H14 | 119.8° | 120.0° |
| C23 | C24 | C18 | 120.7° | 120.1° |
| C24 | C23 | H15 | 120.0° | 119.9° |
| C23 | C24 | H16 | 119.6° | 119.9° |
| C21 | C19 | C18 | 120.9° | 119.9° |
| C21 | C19 | O3 | 125.0° | 120.1° |
| C19 | C21 | H13 | 120.2° | 120.0° |
| C24 | C18 | C19 | 118.2° | 119.9° |
| C24 | C18 | C17 | 122.8° | 120.0° |
| C18 | C24 | H16 | 119.7° | 120.0° |
| C18 | C19 | O3 | 114.0° | 120.0° |
| C19 | C18 | C17 | 119.0° | 120.0° |
| C19 | O3 | C20 | 117.3° | 117.0° |
| C18 | C17 | N4 | 116.3° | 109.4° |
| C18 | C17 | H8 | 107.7° | 109.5° |
| C18 | C17 | H9 | 107.7° | 109.5° |
| O3 | C20 | H10 | 109.5° | 109.5° |
| O3 | C20 | H11 | 109.5° | 109.5° |
| O3 | C20 | H12 | 109.4° | 109.5° |
| C17 | N4 | C25 | 128.0° | 126.2° |
| C17 | N4 | C16 | 126.7° | 126.4° |
| N4 | C17 | H8 | 107.8° | 109.5° |
| N4 | C17 | H9 | 107.8° | 109.4° |
| C25 | N4 | C16 | 105.2° | 107.4° |
| N4 | C25 | C26 | 131.9° | 133.9° |
| N4 | C25 | C15 | 106.1° | 105.9° |
| N4 | C16 | N3 | 114.6° | 110.2° |
| N4 | C16 | H7 | 122.7° | 124.9° |
| C25 | C26 | C27 | 116.9° | 120.1° |
| C26 | C25 | C15 | 122.0° | 120.2° |
| C25 | C26 | H17 | 121.5° | 120.0° |
| C26 | C27 | C13 | 122.6° | 120.5° |
| C27 | C26 | H17 | 121.6° | 119.9° |
| C26 | C27 | H18 | 118.7° | 119.8° |
| C25 | C15 | N3 | 109.6° | 107.0° |
| C25 | C15 | C14 | 120.0° | 119.5° |
| C16 | N3 | C15 | 104.4° | 109.5° |
| N3 | C16 | H7 | 122.7° | 124.9° |
| C27 | C13 | C14 | 119.3° | 120.2° |
| C27 | C13 | C12 | 119.4° | 119.9° |
| C13 | C27 | H18 | 118.7° | 119.7° |
| N3 | C15 | C14 | 130.3° | 133.5° |
| C15 | C14 | C13 | 119.0° | 119.5° |
| C15 | C14 | H6 | 120.5° | 120.2° |
| C14 | C13 | C12 | 120.8° | 119.9° |
| C13 | C14 | H6 | 120.5° | 120.3° |
| C13 | C12 | N2 | 121.6° | 120.0° |
| C13 | C12 | O4 | 118.3° | 120.0° |
| N2 | C28 | C29 | 106.7° | 108.6° |
| C28 | N2 | C12 | 128.7° | 120.9° |
| C28 | N2 | C10 | 113.8° | 118.2° |
| N2 | C28 | H19 | 110.2° | 109.6° |
| N2 | C28 | H20 | 110.2° | 109.6° |
| C28 | C29 | N1 | 113.2° | 109.3° |
| C29 | C28 | H19 | 110.2° | 109.7° |
| C29 | C28 | H20 | 110.2° | 109.7° |
| C28 | C29 | H21 | 108.6° | 109.5° |
| C28 | C29 | H22 | 108.5° | 109.5° |
| N2 | C12 | O4 | 120.0° | 120.0° |
| C12 | N2 | C10 | 117.3° | 120.9° |
| N2 | C10 | C11 | 111.7° | 109.8° |
| N2 | C10 | C9 | 107.5° | 108.5° |
| N2 | C10 | H2 | 108.6° | 109.7° |
| C11 | C10 | C9 | 112.9° | 109.6° |
| C11 | C10 | H2 | 108.0° | 109.6° |
| C10 | C11 | H3 | 109.5° | 109.5° |
| C10 | C11 | H4 | 109.4° | 109.4° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C29 | N1 | C8 | 111.2° | 111.0° |
| C29 | N1 | C9 | 112.7° | 111.3° |
| N1 | C29 | H21 | 108.5° | 109.5° |
| N1 | C29 | H22 | 108.6° | 109.5° |
| C10 | C9 | N1 | 114.3° | 109.3° |
| C9 | C10 | H2 | 108.0° | 109.6° |
| C10 | C9 | H28 | 108.2° | 109.5° |
| C10 | C9 | H29 | 108.3° | 109.5° |
| N1 | C8 | C7 | 113.7° | 109.5° |
| C8 | N1 | C9 | 113.3° | 111.0° |
| N1 | C8 | H26 | 108.4° | 109.5° |
| N1 | C8 | H27 | 108.4° | 109.5° |
| C8 | C7 | C30 | 118.9° | 119.9° |
| C8 | C7 | C6 | 122.5° | 119.9° |
| C7 | C8 | H26 | 108.4° | 109.4° |
| C7 | C8 | H27 | 108.4° | 109.4° |
| N1 | C9 | H28 | 108.2° | 109.5° |
| N1 | C9 | H29 | 108.2° | 109.6° |
| C7 | C30 | C3 | 121.7° | 119.9° |
| C30 | C7 | C6 | 118.7° | 120.1° |
| C7 | C30 | H23 | 119.2° | 120.1° |
| C30 | C3 | C2 | 119.2° | 120.2° |
| C30 | C3 | C4 | 119.0° | 119.7° |
| C3 | C30 | H23 | 119.1° | 120.0° |
| C1 | C2 | C3 | 179.1° | 179.9° |
| C2 | C1 | H1 | 180.0° | 179.9° |
| C7 | C6 | C5 | 120.6° | 120.3° |
| C7 | C6 | H25 | 119.7° | 119.9° |
| C2 | C3 | C4 | 121.8° | 120.1° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | H24 | 120.1° | 120.0° |
| C6 | C5 | C4 | 120.1° | 120.1° |
| C6 | C5 | S1 | 120.4° | 119.9° |
| C5 | C6 | H25 | 119.7° | 119.9° |
| C4 | C5 | S1 | 119.5° | 119.9° |
| C5 | C4 | H24 | 120.0° | 120.1° |
| C5 | S1 | O2 | 105.2° | 106.4° |
| C5 | S1 | O1 | 106.0° | 106.4° |
| C5 | S1 | F1 | 106.7° | 107.2° |
| O2 | S1 | O1 | 110.7° | 123.2° |
| O2 | S1 | F1 | 116.7° | 106.4° |
| O1 | S1 | F1 | 110.8° | 106.4° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.4° | 109.5° |
| H10 | C20 | H12 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.4° | 109.8° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H26 | C8 | H27 | 109.5° | 109.5° |
| H28 | C9 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H14 | 180.0° | 179.7° |
| C22 | C23 | C24 | H15 | 180.0° | 179.7° |
| C23 | C22 | C21 | C19 | 0.4° | 0.0° |
| C22 | C23 | C24 | C18 | 1.1° | 0.6° |
| C23 | C22 | C21 | H13 | 179.6° | 180.0° |
| C22 | C23 | C24 | H16 | 178.9° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.3° |
| C22 | C21 | C19 | H13 | 180.0° | 180.0° |
| C22 | C21 | C19 | C18 | 0.7° | 0.0° |
| C22 | C21 | C19 | O3 | 178.8° | 180.0° |
| C21 | C22 | C23 | H15 | 179.7° | 180.0° |
| C23 | C24 | C18 | H16 | 180.0° | 179.5° |
| C23 | C24 | C18 | C19 | 2.2° | 0.5° |
| C23 | C24 | C18 | C17 | 179.6° | 179.8° |
| C24 | C23 | C22 | H14 | 179.8° | 180.0° |
| C21 | C19 | C18 | C24 | 2.0° | 0.3° |
| C21 | C19 | C18 | O3 | 178.3° | 180.0° |
| C21 | C19 | C18 | C17 | 179.8° | 180.0° |
| C21 | C19 | O3 | C20 | 9.8° | 0.0° |
| C19 | C21 | C22 | H14 | 179.6° | 179.7° |
| C24 | C18 | C19 | C17 | 178.2° | 179.7° |
| C24 | C18 | C19 | O3 | 179.7° | 179.7° |
| C24 | C18 | C17 | N4 | 102.2° | 95.3° |
| C24 | C18 | C17 | H8 | 18.8° | 24.7° |
| C24 | C18 | C17 | H9 | 136.8° | 144.7° |
| C18 | C24 | C23 | H15 | 178.9° | 179.7° |
| C18 | C19 | O3 | C20 | 172.0° | 180.0° |
| C19 | C18 | C17 | N4 | 79.7° | 85.0° |
| C19 | C18 | C17 | H8 | 159.3° | 155.0° |
| C19 | C18 | C17 | H9 | 41.3° | 35.0° |
| C18 | C19 | C21 | H13 | 179.3° | 180.0° |
| C19 | C18 | C24 | H16 | 177.8° | 180.0° |
| O3 | C19 | C18 | C17 | 1.5° | 0.0° |
| C19 | O3 | C20 | H10 | 180.0° | 60.1° |
| C19 | O3 | C20 | H11 | 60.0° | 60.0° |
| C19 | O3 | C20 | H12 | 60.0° | 180.0° |
| O3 | C19 | C21 | H13 | 1.2° | 0.0° |
| C18 | C17 | N4 | H8 | 121.0° | 120.1° |
| C18 | C17 | N4 | H9 | 121.0° | 120.0° |
| C18 | C17 | N4 | C25 | 85.8° | 85.0° |
| C18 | C17 | N4 | C16 | 97.3° | 95.0° |
| C18 | C17 | H8 | H9 | 116.9° | 120.0° |
| C17 | C18 | C24 | H16 | 0.4° | 0.3° |
| O3 | C20 | H10 | H11 | 120.0° | 120.0° |
| O3 | C20 | H10 | H12 | 120.0° | 120.0° |
| O3 | C20 | H11 | H12 | 120.0° | 120.0° |
| C17 | N4 | C25 | C16 | 177.4° | 180.0° |
| C17 | N4 | C25 | C26 | 2.1° | 0.1° |
| C17 | N4 | C25 | C15 | 177.9° | 180.0° |
| C17 | N4 | C16 | N3 | 177.9° | 180.0° |
| C17 | N4 | C16 | H7 | 2.1° | 0.1° |
| N4 | C17 | H8 | H9 | 116.9° | 120.0° |
| N4 | C25 | C26 | C15 | 180.0° | 179.9° |
| N4 | C25 | C26 | C27 | 179.9° | 179.7° |
| C25 | N4 | C16 | N3 | 0.4° | 0.0° |
| N4 | C25 | C15 | N3 | 0.4° | 0.0° |
| N4 | C25 | C15 | C14 | 179.3° | 180.0° |
| C25 | N4 | C16 | H7 | 179.5° | 179.9° |
| C25 | N4 | C17 | H8 | 35.2° | 35.0° |
| C25 | N4 | C17 | H9 | 153.2° | 155.0° |
| N4 | C25 | C26 | H17 | 0.1° | 0.1° |
| C16 | N4 | C25 | C26 | 179.5° | 180.0° |
| C16 | N4 | C25 | C15 | 0.5° | 0.0° |
| N4 | C16 | N3 | H7 | 180.0° | 179.9° |
| N4 | C16 | N3 | C15 | 0.2° | 0.1° |
| C16 | N4 | C17 | H8 | 141.7° | 145.0° |
| C16 | N4 | C17 | H9 | 23.7° | 25.0° |
| C25 | C26 | C27 | H17 | 180.0° | 179.6° |
| C25 | C26 | C27 | C13 | 1.6° | 0.7° |
| C26 | C25 | C15 | N3 | 179.6° | 179.9° |
| C26 | C25 | C15 | C14 | 0.7° | 0.0° |
| C25 | C26 | C27 | H18 | 178.4° | 180.0° |
| C27 | C26 | C25 | C15 | 0.2° | 0.4° |
| C26 | C27 | C13 | H18 | 180.0° | 179.4° |
| C26 | C27 | C13 | C14 | 3.6° | 0.6° |
| C26 | C27 | C13 | C12 | 175.3° | 179.7° |
| C25 | C15 | N3 | C16 | 0.1° | 0.1° |
| C25 | C15 | N3 | C14 | 178.8° | 179.9° |
| C25 | C15 | C14 | C13 | 2.6° | 0.1° |
| C25 | C15 | C14 | H6 | 177.4° | 180.0° |
| C15 | C25 | C26 | H17 | 179.8° | 180.0° |
| C16 | N3 | C15 | C14 | 178.9° | 180.0° |
| C27 | C13 | C14 | C15 | 4.0° | 0.2° |
| C27 | C13 | C14 | C12 | 171.6° | 179.7° |
| C27 | C13 | C12 | N2 | 78.6° | 27.6° |
| C27 | C13 | C12 | O4 | 98.2° | 152.4° |
| C27 | C13 | C14 | H6 | 176.0° | 179.7° |
| C13 | C27 | C26 | H17 | 178.4° | 179.7° |
| N3 | C15 | C14 | C13 | 178.7° | 180.0° |
| N3 | C15 | C14 | H6 | 1.3° | 0.1° |
| C15 | N3 | C16 | H7 | 179.8° | 180.0° |
| C15 | C14 | C13 | H6 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 175.6° | 179.9° |
| C14 | C13 | C12 | N2 | 109.8° | 152.1° |
| C14 | C13 | C12 | O4 | 73.4° | 27.9° |
| C14 | C13 | C27 | H18 | 176.5° | 180.0° |
| C13 | C12 | N2 | C28 | 9.8° | 6.1° |
| C13 | C12 | N2 | O4 | 176.7° | 180.0° |
| C13 | C12 | N2 | C10 | 175.1° | 173.8° |
| C12 | C13 | C14 | H6 | 4.4° | 0.0° |
| C12 | C13 | C27 | H18 | 4.7° | 0.4° |
| N2 | C28 | C29 | H19 | 119.6° | 119.7° |
| N2 | C28 | C29 | H20 | 119.6° | 119.7° |
| C28 | N2 | C12 | C10 | 175.1° | 180.0° |
| C28 | N2 | C12 | O4 | 173.5° | 173.9° |
| C28 | N2 | C10 | C11 | 63.8° | 171.0° |
| N2 | C28 | C29 | N1 | 55.7° | 53.8° |
| C28 | N2 | C10 | C9 | 60.5° | 51.2° |
| C28 | N2 | C10 | H2 | 177.2° | 68.5° |
| N2 | C28 | H19 | H20 | 121.3° | 120.4° |
| N2 | C28 | C29 | H21 | 64.8° | 173.8° |
| N2 | C28 | C29 | H22 | 176.3° | 66.1° |
| C29 | C28 | N2 | C12 | 112.5° | 128.8° |
| C29 | C28 | N2 | C10 | 62.8° | 51.2° |
| C28 | C29 | N1 | H21 | 120.6° | 120.0° |
| C28 | C29 | N1 | H22 | 120.5° | 119.9° |
| C28 | C29 | N1 | C8 | 78.7° | 172.8° |
| C28 | C29 | N1 | C9 | 49.8° | 63.1° |
| C29 | C28 | H19 | H20 | 121.3° | 120.5° |
| C28 | C29 | H21 | H22 | 118.3° | 120.1° |
| C12 | N2 | C10 | C11 | 120.3° | 9.1° |
| C12 | N2 | C10 | C9 | 115.3° | 128.9° |
| C12 | N2 | C10 | H2 | 1.4° | 111.4° |
| C12 | N2 | C28 | H19 | 7.1° | 9.1° |
| C12 | N2 | C28 | H20 | 128.0° | 111.4° |
| O4 | C12 | N2 | C10 | 1.6° | 6.2° |
| N2 | C10 | C11 | C9 | 121.3° | 119.1° |
| N2 | C10 | C11 | H2 | 119.3° | 120.6° |
| N2 | C10 | C9 | H2 | 117.0° | 119.8° |
| N2 | C10 | C9 | N1 | 51.0° | 53.9° |
| N2 | C10 | C11 | H3 | 180.0° | 54.0° |
| N2 | C10 | C11 | H4 | 60.0° | 66.0° |
| N2 | C10 | C11 | H5 | 60.0° | 174.0° |
| C10 | N2 | C28 | H19 | 177.6° | 170.9° |
| C10 | N2 | C28 | H20 | 56.8° | 68.5° |
| N2 | C10 | C9 | H28 | 171.7° | 66.1° |
| N2 | C10 | C9 | H29 | 69.7° | 173.9° |
| C11 | C10 | C9 | H2 | 119.3° | 120.4° |
| C11 | C10 | C9 | N1 | 72.7° | 173.7° |
| C10 | C11 | H3 | H4 | 120.0° | 120.0° |
| C10 | C11 | H3 | H5 | 120.0° | 120.0° |
| C10 | C11 | H4 | H5 | 120.0° | 120.0° |
| C11 | C10 | C9 | H28 | 48.0° | 53.8° |
| C11 | C10 | C9 | H29 | 166.6° | 66.2° |
| C29 | N1 | C9 | C10 | 47.6° | 63.1° |
| C29 | N1 | C8 | C9 | 128.2° | 124.3° |
| C29 | N1 | C8 | C7 | 170.9° | 66.1° |
| N1 | C29 | C28 | H19 | 175.3° | 173.5° |
| N1 | C29 | C28 | H20 | 63.9° | 65.9° |
| N1 | C29 | H21 | H22 | 118.3° | 120.1° |
| C29 | N1 | C8 | H26 | 50.3° | 174.0° |
| C29 | N1 | C8 | H27 | 68.4° | 53.9° |
| C29 | N1 | C9 | H28 | 168.3° | 56.8° |
| C29 | N1 | C9 | H29 | 73.1° | 176.9° |
| C10 | C9 | N1 | C8 | 79.8° | 172.8° |
| C10 | C9 | N1 | H28 | 120.7° | 119.9° |
| C10 | C9 | N1 | H29 | 120.7° | 120.0° |
| C9 | C10 | C11 | H3 | 58.7° | 65.1° |
| C9 | C10 | C11 | H4 | 61.3° | 174.9° |
| C9 | C10 | C11 | H5 | 178.7° | 54.9° |
| C10 | C9 | H28 | H29 | 117.8° | 120.0° |
| N1 | C8 | C7 | H26 | 120.6° | 120.0° |
| N1 | C8 | C7 | H27 | 120.6° | 120.0° |
| N1 | C8 | C7 | C30 | 154.3° | 90.0° |
| N1 | C8 | C7 | C6 | 25.3° | 90.0° |
| C8 | N1 | C29 | H21 | 160.7° | 52.8° |
| C8 | N1 | C29 | H22 | 41.8° | 67.3° |
| N1 | C8 | H26 | H27 | 118.0° | 120.1° |
| C8 | N1 | C9 | H28 | 40.9° | 67.3° |
| C8 | N1 | C9 | H29 | 159.5° | 52.8° |
| C7 | C8 | N1 | C9 | 60.9° | 169.7° |
| C8 | C7 | C30 | C6 | 179.6° | 180.0° |
| C8 | C7 | C30 | C3 | 178.7° | 180.0° |
| C8 | C7 | C6 | C5 | 179.1° | 179.7° |
| C8 | C7 | C30 | H23 | 1.3° | 0.0° |
| C8 | C7 | C6 | H25 | 0.9° | 0.0° |
| C7 | C8 | H26 | H27 | 118.1° | 120.0° |
| N1 | C9 | C10 | H2 | 168.0° | 65.9° |
| C9 | N1 | C29 | H21 | 70.7° | 176.9° |
| C9 | N1 | C29 | H22 | 170.4° | 56.8° |
| C9 | N1 | C8 | H26 | 178.5° | 49.7° |
| C9 | N1 | C8 | H27 | 59.7° | 70.4° |
| N1 | C9 | H28 | H29 | 117.8° | 120.1° |
| C7 | C30 | C3 | H23 | 180.0° | 180.0° |
| C7 | C30 | C3 | C2 | 179.9° | 180.0° |
| C7 | C30 | C3 | C4 | 1.0° | 0.2° |
| C30 | C7 | C6 | C5 | 0.4° | 0.3° |
| C30 | C7 | C6 | H25 | 179.6° | 179.9° |
| C30 | C7 | C8 | H26 | 85.1° | 150.0° |
| C30 | C7 | C8 | H27 | 33.7° | 30.0° |
| C30 | C3 | C2 | C1 | 73.4° | 59.0° |
| C3 | C30 | C7 | C6 | 0.8° | 0.1° |
| C30 | C3 | C2 | C4 | 178.9° | 179.8° |
| C30 | C3 | C4 | C5 | 0.7° | 0.3° |
| C30 | C3 | C4 | H24 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 105.5° | 120.8° |
| C7 | C6 | C5 | H25 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 0.2° | 0.2° |
| C7 | C6 | C5 | S1 | 178.2° | 179.7° |
| C6 | C7 | C30 | H23 | 179.2° | 180.0° |
| C6 | C7 | C8 | H26 | 95.4° | 30.0° |
| C6 | C7 | C8 | H27 | 145.9° | 150.0° |
| C2 | C3 | C4 | C5 | 179.6° | 179.9° |
| C3 | C2 | C1 | H1 | 40.9° | 137.3° |
| C2 | C3 | C30 | H23 | 0.1° | 0.0° |
| C2 | C3 | C4 | H24 | 0.4° | 0.1° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H24 | 180.0° | 180.0° |
| C3 | C4 | C5 | S1 | 178.1° | 180.0° |
| C4 | C3 | C30 | H23 | 179.0° | 179.8° |
| C6 | C5 | C4 | S1 | 178.4° | 179.9° |
| C6 | C5 | S1 | O2 | 54.8° | 90.1° |
| C6 | C5 | S1 | O1 | 172.1° | 137.0° |
| C6 | C5 | S1 | F1 | 69.8° | 23.5° |
| C6 | C5 | C4 | H24 | 179.7° | 179.9° |
| C4 | C5 | S1 | O2 | 126.8° | 90.0° |
| C4 | C5 | S1 | O1 | 9.5° | 42.9° |
| C4 | C5 | S1 | F1 | 108.6° | 156.4° |
| C4 | C5 | C6 | H25 | 179.8° | 180.0° |
| C5 | S1 | O2 | O1 | 114.0° | 122.9° |
| C5 | S1 | O2 | F1 | 118.1° | 114.1° |
| C5 | S1 | O1 | F1 | 115.4° | 114.1° |
| S1 | C5 | C4 | H24 | 1.9° | 0.0° |
| S1 | C5 | C6 | H25 | 1.8° | 0.1° |
| O2 | S1 | O1 | F1 | 131.0° | 123.0° |
| H2 | C10 | C11 | H3 | 60.7° | 174.6° |
| H2 | C10 | C11 | H4 | 179.3° | 54.6° |
| H2 | C10 | C11 | H5 | 59.3° | 65.4° |
| H2 | C10 | C9 | H28 | 71.3° | 174.2° |
| H2 | C10 | C9 | H29 | 47.3° | 54.1° |
| H3 | C11 | H4 | H5 | 120.0° | 120.0° |
| H10 | C20 | H11 | H12 | 120.0° | 120.0° |
| H13 | C21 | C22 | H14 | 0.4° | 0.3° |
| H14 | C22 | C23 | H15 | 0.3° | 0.3° |
| H15 | C23 | C24 | H16 | 1.1° | 0.3° |
| H17 | C26 | C27 | H18 | 1.6° | 0.4° |
| H19 | C28 | C29 | H21 | 54.8° | 66.5° |
| H19 | C28 | C29 | H22 | 64.1° | 53.6° |
| H20 | C28 | C29 | H21 | 175.6° | 54.1° |
| H20 | C28 | C29 | H22 | 56.7° | 174.2° |
