KBI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | doub | 1.33Å | 1.35Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | N6 | sing | 1.39Å | 1.34Å | |
| C21 | F1 | sing | 1.35Å | 1.35Å | |
| C4 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.37Å | 1.33Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| F2 | C19 | sing | 1.35Å | 1.35Å | |
| C15 | O2 | sing | 1.44Å | 1.44Å | |
| C14 | O2 | sing | 1.44Å | 1.44Å | |
| N4 | C3 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| F3 | C17 | sing | 1.35Å | 1.35Å | |
| C5 | N3 | sing | 1.37Å | 1.34Å | Aromatic |
| N3 | C13 | sing | 1.47Å | 1.47Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N4 | C5 | doub | 1.31Å | 1.34Å | Aromatic |
| N5 | C5 | sing | 1.38Å | 1.35Å | |
| C6 | N5 | sing | 1.40Å | 1.35Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C17 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.48Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C12 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C16 | C13 | sing | 1.55Å | 1.53Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.55Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 120.6° | 122.1° |
| N1 | C1 | N6 | 119.5° | 118.9° |
| C1 | N1 | C4 | 120.9° | 121.2° |
| N2 | C1 | N6 | 120.0° | 118.9° |
| C1 | N2 | C2 | 120.6° | 120.4° |
| C1 | N6 | C7 | 122.2° | 120.0° |
| C1 | N6 | HN6 | 105.4° | 120.0° |
| F1 | C21 | C6 | 120.0° | 120.1° |
| F1 | C21 | C20 | 119.0° | 120.0° |
| N1 | C4 | C3 | 120.0° | 118.7° |
| N1 | C4 | H4 | 120.0° | 120.6° |
| C10 | O1 | HO1 | 109.5° | 113.9° |
| O1 | C10 | C9 | 109.4° | 109.5° |
| O1 | C10 | C11 | 110.1° | 109.5° |
| O1 | C10 | H10 | 109.0° | 109.5° |
| C3 | C2 | N3 | 106.3° | 106.1° |
| C3 | C2 | N2 | 119.6° | 119.1° |
| C2 | C3 | N4 | 108.0° | 107.1° |
| C2 | C3 | C4 | 118.3° | 118.4° |
| N3 | C2 | N2 | 134.1° | 134.8° |
| C2 | N3 | C5 | 109.3° | 107.5° |
| C2 | N3 | C13 | 125.9° | 126.3° |
| F2 | C19 | C18 | 120.6° | 119.9° |
| F2 | C19 | C20 | 120.0° | 119.9° |
| C15 | O2 | C14 | 105.1° | 107.0° |
| O2 | C15 | C16 | 103.7° | 103.5° |
| O2 | C15 | H15 | 111.4° | 110.6° |
| O2 | C15 | H15A | 111.5° | 110.6° |
| O2 | C14 | C13 | 106.1° | 107.3° |
| O2 | C14 | H14 | 110.6° | 109.9° |
| O2 | C14 | H14A | 110.6° | 109.9° |
| N4 | C3 | C4 | 133.7° | 134.5° |
| C3 | N4 | C5 | 107.5° | 109.4° |
| C3 | C4 | H4 | 120.0° | 120.7° |
| F3 | C17 | C6 | 120.5° | 120.0° |
| F3 | C17 | C18 | 119.2° | 120.1° |
| C5 | N3 | C13 | 124.9° | 126.3° |
| N3 | C5 | N4 | 108.9° | 109.8° |
| N3 | C5 | N5 | 124.6° | 125.1° |
| N3 | C13 | C16 | 112.0° | 110.5° |
| N3 | C13 | C14 | 108.1° | 110.5° |
| N3 | C13 | H13 | 107.2° | 110.4° |
| N4 | C5 | N5 | 126.5° | 125.1° |
| C5 | N5 | C6 | 123.7° | 120.0° |
| C5 | N5 | HN5 | 118.1° | 120.0° |
| C6 | N5 | HN5 | 118.1° | 120.0° |
| N5 | C6 | C17 | 121.7° | 120.0° |
| N5 | C6 | C21 | 119.6° | 120.1° |
| C17 | C6 | C21 | 118.8° | 119.9° |
| C6 | C17 | C18 | 120.2° | 119.9° |
| C6 | C21 | C20 | 121.0° | 119.9° |
| C7 | N6 | HN6 | 105.5° | 120.0° |
| N6 | C7 | C12 | 109.7° | 109.4° |
| N6 | C7 | C8 | 109.5° | 109.4° |
| N6 | C7 | H7 | 109.5° | 109.4° |
| C12 | C7 | C8 | 110.0° | 109.5° |
| C12 | C7 | H7 | 109.0° | 109.5° |
| C7 | C12 | C11 | 111.6° | 109.4° |
| C7 | C12 | H12 | 108.8° | 109.5° |
| C7 | C12 | H12A | 108.8° | 109.5° |
| C8 | C7 | H7 | 109.2° | 109.5° |
| C7 | C8 | C9 | 112.0° | 109.4° |
| C7 | C8 | H8 | 108.6° | 109.4° |
| C7 | C8 | H8A | 108.7° | 109.5° |
| C9 | C8 | H8 | 108.7° | 109.5° |
| C9 | C8 | H8A | 108.7° | 109.5° |
| C8 | C9 | C10 | 110.8° | 109.5° |
| C8 | C9 | H9 | 109.0° | 109.5° |
| C8 | C9 | H9A | 109.0° | 109.5° |
| H8 | C8 | H8A | 110.3° | 109.5° |
| C10 | C9 | H9 | 109.0° | 109.4° |
| C10 | C9 | H9A | 109.0° | 109.5° |
| C9 | C10 | C11 | 109.3° | 109.4° |
| C9 | C10 | H10 | 109.8° | 109.5° |
| H9 | C9 | H9A | 109.9° | 109.4° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C10 | C11 | C12 | 110.7° | 109.5° |
| C10 | C11 | H11 | 109.1° | 109.4° |
| C10 | C11 | H11A | 109.1° | 109.5° |
| C12 | C11 | H11 | 109.1° | 109.5° |
| C12 | C11 | H11A | 109.1° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.4° |
| C11 | C12 | H12A | 108.8° | 109.5° |
| H11 | C11 | H11A | 109.9° | 109.5° |
| H12 | C12 | H12A | 110.2° | 109.5° |
| C16 | C13 | C14 | 104.3° | 104.2° |
| C16 | C13 | H13 | 110.8° | 110.6° |
| C13 | C16 | C15 | 103.5° | 102.1° |
| C13 | C16 | H16 | 111.5° | 110.9° |
| C13 | C16 | H16A | 111.5° | 110.9° |
| C14 | C13 | H13 | 114.5° | 110.5° |
| C13 | C14 | H14 | 110.6° | 109.8° |
| C13 | C14 | H14A | 110.6° | 109.8° |
| H14 | C14 | H14A | 108.3° | 110.0° |
| C16 | C15 | H15 | 111.4° | 110.6° |
| C16 | C15 | H15A | 111.4° | 110.8° |
| C15 | C16 | H16 | 111.5° | 110.9° |
| C15 | C16 | H16A | 111.5° | 110.9° |
| H15 | C15 | H15A | 107.4° | 110.6° |
| H16 | C16 | H16A | 107.4° | 110.8° |
| C17 | C18 | C19 | 120.6° | 120.1° |
| C17 | C18 | H18 | 119.7° | 119.9° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C19 | C20 | 119.4° | 120.1° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C21 | C20 | H20 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | N6 | 179.8° | 179.8° |
| N1 | C1 | N2 | C2 | 0.0° | 0.2° |
| C1 | N1 | C4 | C3 | 0.1° | 0.0° |
| C1 | N1 | C4 | H4 | 179.9° | 180.0° |
| N1 | C1 | N6 | C7 | 171.6° | 0.2° |
| N1 | C1 | N6 | HN6 | 51.5° | 179.7° |
| N2 | C1 | N1 | C4 | 0.1° | 0.0° |
| C1 | N2 | C2 | C3 | 0.1° | 0.5° |
| C1 | N2 | C2 | N3 | 179.6° | 180.0° |
| N2 | C1 | N6 | C7 | 8.2° | 180.0° |
| N2 | C1 | N6 | HN6 | 128.3° | 0.0° |
| N6 | C1 | N1 | C4 | 179.9° | 179.7° |
| N6 | C1 | N2 | C2 | 179.8° | 180.0° |
| C1 | N6 | C7 | HN6 | 120.0° | 180.0° |
| C1 | N6 | C7 | C12 | 143.2° | 85.0° |
| C1 | N6 | C7 | C8 | 96.1° | 155.0° |
| C1 | N6 | C7 | H7 | 23.6° | 35.0° |
| F1 | C21 | C6 | N5 | 0.4° | 0.0° |
| F1 | C21 | C6 | C17 | 179.3° | 179.7° |
| F1 | C21 | C6 | C20 | 179.7° | 179.7° |
| F1 | C21 | C20 | C19 | 179.7° | 179.7° |
| F1 | C21 | C20 | H20 | 0.3° | 0.1° |
| N1 | C4 | C3 | C2 | 0.0° | 0.3° |
| N1 | C4 | C3 | N4 | 180.0° | 179.5° |
| N1 | C4 | C3 | H4 | 180.0° | 180.0° |
| O1 | C10 | C9 | C8 | 178.9° | 180.0° |
| O1 | C10 | C9 | C11 | 120.6° | 120.0° |
| O1 | C10 | C9 | H10 | 119.6° | 120.0° |
| O1 | C10 | C9 | H9 | 61.1° | 59.9° |
| O1 | C10 | C9 | H9A | 58.9° | 60.0° |
| O1 | C10 | C11 | H10 | 119.6° | 120.1° |
| O1 | C10 | C11 | C12 | 179.0° | 180.0° |
| O1 | C10 | C11 | H11 | 61.0° | 60.0° |
| O1 | C10 | C11 | H11A | 59.0° | 59.9° |
| HO1 | O1 | C10 | C9 | 180.0° | 180.0° |
| HO1 | O1 | C10 | C11 | 59.9° | 60.0° |
| HO1 | O1 | C10 | H10 | 59.8° | 60.1° |
| C3 | C2 | N3 | N2 | 179.7° | 179.5° |
| C2 | C3 | N4 | C4 | 179.9° | 179.3° |
| C3 | C2 | N3 | C5 | 0.6° | 0.5° |
| C3 | C2 | N3 | C13 | 179.2° | 179.5° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C2 | C3 | N4 | C5 | 0.0° | 0.2° |
| N3 | C2 | C3 | N4 | 0.4° | 0.4° |
| N3 | C2 | C3 | C4 | 179.7° | 179.9° |
| C2 | N3 | C5 | C13 | 178.6° | 180.0° |
| C2 | N3 | C5 | N4 | 0.7° | 0.4° |
| C2 | N3 | C5 | N5 | 179.5° | 179.8° |
| C2 | N3 | C13 | C16 | 25.9° | 123.8° |
| C2 | N3 | C13 | C14 | 88.4° | 121.5° |
| C2 | N3 | C13 | H13 | 147.7° | 1.1° |
| N2 | C2 | C3 | N4 | 179.9° | 180.0° |
| N2 | C2 | C3 | C4 | 0.1° | 0.5° |
| N2 | C2 | N3 | C5 | 179.7° | 180.0° |
| N2 | C2 | N3 | C13 | 1.1° | 0.0° |
| F2 | C19 | C18 | C17 | 179.9° | 180.0° |
| F2 | C19 | C18 | C20 | 179.7° | 179.9° |
| F2 | C19 | C18 | H18 | 0.1° | 0.0° |
| F2 | C19 | C20 | C21 | 179.6° | 179.7° |
| F2 | C19 | C20 | H20 | 0.4° | 0.0° |
| O2 | C15 | C16 | C13 | 32.9° | 37.0° |
| C15 | O2 | C14 | C13 | 35.3° | 26.5° |
| C15 | O2 | C14 | H14 | 84.7° | 92.9° |
| C15 | O2 | C14 | H14A | 155.3° | 145.9° |
| O2 | C15 | C16 | H15 | 120.0° | 118.5° |
| O2 | C15 | C16 | H15A | 120.0° | 118.5° |
| O2 | C15 | H15 | H15A | 122.4° | 122.9° |
| O2 | C15 | C16 | H16 | 152.9° | 155.2° |
| O2 | C15 | C16 | H16A | 87.1° | 81.2° |
| O2 | C14 | C13 | N3 | 105.7° | 116.6° |
| O2 | C14 | C13 | C16 | 13.6° | 2.0° |
| O2 | C14 | C13 | H14 | 120.0° | 119.4° |
| O2 | C14 | C13 | H14A | 120.0° | 119.4° |
| O2 | C14 | C13 | H13 | 134.9° | 120.8° |
| O2 | C14 | H14 | H14A | 121.4° | 121.1° |
| C14 | O2 | C15 | C16 | 42.7° | 40.1° |
| C14 | O2 | C15 | H15 | 162.7° | 158.5° |
| C14 | O2 | C15 | H15A | 77.3° | 78.6° |
| C3 | N4 | C5 | N3 | 0.4° | 0.1° |
| N4 | C3 | C4 | H4 | 0.0° | 0.5° |
| C3 | N4 | C5 | N5 | 179.2° | 179.9° |
| C4 | C3 | N4 | C5 | 179.9° | 179.5° |
| F3 | C17 | C6 | N5 | 0.2° | 0.1° |
| F3 | C17 | C6 | C18 | 179.8° | 179.9° |
| F3 | C17 | C6 | C21 | 179.5° | 179.8° |
| F3 | C17 | C18 | C19 | 179.6° | 180.0° |
| F3 | C17 | C18 | H18 | 0.4° | 0.1° |
| N3 | C5 | N4 | N5 | 178.8° | 179.8° |
| N3 | C5 | N5 | C6 | 168.5° | 180.0° |
| N3 | C5 | N5 | HN5 | 11.5° | 0.1° |
| C5 | N3 | C13 | C16 | 155.7° | 56.3° |
| C5 | N3 | C13 | C14 | 89.9° | 58.5° |
| C5 | N3 | C13 | H13 | 34.0° | 178.9° |
| C13 | N3 | C5 | N4 | 179.2° | 179.6° |
| C13 | N3 | C5 | N5 | 1.9° | 0.2° |
| N3 | C13 | C16 | C14 | 116.7° | 118.7° |
| N3 | C13 | C16 | H13 | 119.6° | 122.6° |
| N3 | C13 | C14 | H13 | 119.4° | 122.6° |
| N3 | C13 | C14 | H14 | 134.3° | 123.9° |
| N3 | C13 | C14 | H14A | 14.3° | 2.8° |
| N3 | C13 | C16 | C15 | 128.2° | 139.6° |
| N3 | C13 | C16 | H16 | 111.9° | 102.3° |
| N3 | C13 | C16 | H16A | 8.2° | 21.4° |
| N4 | C5 | N5 | C6 | 10.1° | 0.2° |
| N4 | C5 | N5 | HN5 | 169.9° | 179.9° |
| C5 | N5 | C6 | HN5 | 180.0° | 179.9° |
| C5 | N5 | C6 | C17 | 52.3° | 90.1° |
| C5 | N5 | C6 | C21 | 128.0° | 90.2° |
| N5 | C6 | C17 | C21 | 179.7° | 179.7° |
| N5 | C6 | C17 | C18 | 179.6° | 180.0° |
| N5 | C6 | C21 | C20 | 179.8° | 179.7° |
| HN5 | N5 | C6 | C17 | 127.7° | 90.0° |
| HN5 | N5 | C6 | C21 | 52.0° | 89.7° |
| C6 | C17 | C18 | C19 | 0.6° | 0.1° |
| C6 | C17 | C18 | H18 | 179.4° | 180.0° |
| C17 | C6 | C21 | C20 | 0.4° | 0.6° |
| C21 | C6 | C17 | C18 | 0.7° | 0.3° |
| C6 | C21 | C20 | C19 | 0.1° | 0.6° |
| C6 | C21 | C20 | H20 | 179.9° | 179.7° |
| N6 | C7 | C12 | C8 | 120.5° | 120.0° |
| N6 | C7 | C12 | H7 | 119.9° | 120.0° |
| N6 | C7 | C8 | H7 | 119.9° | 119.9° |
| N6 | C7 | C8 | C9 | 174.8° | 180.0° |
| N6 | C7 | C8 | H8 | 54.8° | 60.0° |
| N6 | C7 | C8 | H8A | 65.2° | 60.0° |
| N6 | C7 | C12 | C11 | 175.1° | 180.0° |
| N6 | C7 | C12 | H12 | 65.0° | 60.1° |
| N6 | C7 | C12 | H12A | 55.1° | 60.0° |
| HN6 | N6 | C7 | C12 | 23.2° | 95.0° |
| HN6 | N6 | C7 | C8 | 143.9° | 25.0° |
| HN6 | N6 | C7 | H7 | 96.4° | 145.0° |
| C12 | C7 | C8 | H7 | 119.6° | 120.1° |
| C12 | C7 | C8 | C9 | 54.2° | 60.0° |
| C12 | C7 | C8 | H8 | 65.7° | 59.9° |
| C12 | C7 | C8 | H8A | 174.3° | 180.0° |
| C7 | C12 | C11 | C10 | 57.8° | 60.0° |
| C7 | C12 | C11 | H12 | 120.0° | 119.9° |
| C7 | C12 | C11 | H12A | 120.0° | 120.1° |
| C7 | C12 | C11 | H11 | 177.9° | 180.0° |
| C7 | C12 | C11 | H11A | 62.1° | 60.0° |
| C7 | C12 | H12 | H12A | 119.2° | 120.1° |
| C7 | C8 | C9 | H8 | 120.0° | 119.9° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 119.0° | 120.1° |
| C7 | C8 | C9 | C10 | 57.0° | 60.0° |
| C7 | C8 | C9 | H9 | 177.0° | 180.0° |
| C7 | C8 | C9 | H9A | 63.0° | 60.1° |
| C8 | C7 | C12 | C11 | 54.6° | 60.1° |
| C8 | C7 | C12 | H12 | 174.6° | 180.0° |
| C8 | C7 | C12 | H12A | 65.4° | 60.0° |
| H7 | C7 | C8 | C9 | 65.3° | 60.1° |
| H7 | C7 | C8 | H8 | 174.7° | 180.0° |
| H7 | C7 | C8 | H8A | 54.7° | 59.9° |
| H7 | C7 | C12 | C11 | 65.0° | 60.0° |
| H7 | C7 | C12 | H12 | 54.9° | 59.9° |
| H7 | C7 | C12 | H12A | 175.0° | 179.9° |
| C9 | C8 | H8 | H8A | 119.0° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 119.4° | 120.0° |
| C8 | C9 | C10 | C11 | 58.3° | 60.0° |
| C8 | C9 | C10 | H10 | 61.5° | 60.0° |
| H8 | C8 | C9 | C10 | 63.0° | 59.9° |
| H8 | C8 | C9 | H9 | 57.0° | 60.1° |
| H8 | C8 | C9 | H9A | 177.0° | 180.0° |
| H8A | C8 | C9 | C10 | 177.0° | 180.0° |
| H8A | C8 | C9 | H9 | 63.0° | 60.0° |
| H8A | C8 | C9 | H9A | 57.0° | 60.0° |
| C10 | C9 | H9 | H9A | 119.5° | 119.9° |
| C9 | C10 | C11 | H10 | 120.1° | 120.0° |
| C9 | C10 | C11 | C12 | 58.7° | 60.0° |
| C9 | C10 | C11 | H11 | 178.8° | 180.0° |
| C9 | C10 | C11 | H11A | 61.3° | 60.0° |
| H9 | C9 | C10 | C11 | 178.3° | 180.0° |
| H9 | C9 | C10 | H10 | 58.5° | 60.1° |
| H9A | C9 | C10 | C11 | 61.7° | 60.0° |
| H9A | C9 | C10 | H10 | 178.5° | 180.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 119.5° | 120.0° |
| C10 | C11 | C12 | H12 | 177.8° | 180.0° |
| C10 | C11 | C12 | H12A | 62.2° | 60.0° |
| H10 | C10 | C11 | C12 | 61.4° | 60.0° |
| H10 | C10 | C11 | H11 | 58.6° | 60.0° |
| H10 | C10 | C11 | H11A | 178.6° | 180.0° |
| C12 | C11 | H11 | H11A | 119.5° | 120.1° |
| C11 | C12 | H12 | H12A | 119.1° | 120.0° |
| H11 | C11 | C12 | H12 | 62.2° | 60.1° |
| H11 | C11 | C12 | H12A | 57.8° | 59.9° |
| H11A | C11 | C12 | H12 | 57.8° | 60.0° |
| H11A | C11 | C12 | H12A | 177.8° | 180.0° |
| C16 | C13 | C14 | H13 | 121.3° | 118.8° |
| C16 | C13 | C14 | H14 | 106.4° | 117.4° |
| C16 | C13 | C14 | H14A | 133.6° | 121.4° |
| C13 | C16 | C15 | H16 | 120.0° | 118.2° |
| C13 | C16 | C15 | H16A | 120.0° | 118.2° |
| C13 | C16 | C15 | H15 | 152.9° | 155.5° |
| C13 | C16 | C15 | H15A | 87.2° | 81.5° |
| C13 | C16 | H16 | H16A | 122.4° | 123.7° |
| C13 | C14 | H14 | H14A | 121.4° | 121.0° |
| C14 | C13 | C16 | C15 | 11.5° | 20.9° |
| C14 | C13 | C16 | H16 | 131.4° | 139.0° |
| C14 | C13 | C16 | H16A | 108.5° | 97.3° |
| H13 | C13 | C14 | H14 | 14.9° | 1.4° |
| H13 | C13 | C14 | H14A | 105.1° | 119.8° |
| H13 | C13 | C16 | C15 | 112.2° | 97.9° |
| H13 | C13 | C16 | H16 | 7.8° | 20.3° |
| H13 | C13 | C16 | H16A | 127.8° | 143.9° |
| C16 | C15 | H15 | H15A | 122.3° | 123.1° |
| C15 | C16 | H16 | H16A | 122.4° | 123.6° |
| H15 | C15 | C16 | H16 | 87.1° | 86.3° |
| H15 | C15 | C16 | H16A | 32.9° | 37.2° |
| H15A | C15 | C16 | H16 | 32.8° | 36.7° |
| H15A | C15 | C16 | H16A | 152.8° | 160.3° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C18 | C19 | C20 | C21 | 0.1° | 0.3° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| H18 | C18 | C19 | C20 | 179.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
