PRD_001116
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C1 | sing | 1.45Å | 1.45Å | Aromatic |
| C7 | C1 | doub | 1.37Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.47Å | 1.45Å | |
| O1 | C2 | doub | 1.22Å | 1.23Å | |
| C6 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| S1 | C7 | sing | 1.70Å | 1.71Å | Aromatic |
| C2 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C3 | sing | 1.47Å | 1.45Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C7 | N3 | sing | 1.39Å | 1.38Å | |
| N3 | C8 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C16 | O3 | sing | 1.43Å | 1.43Å | |
| O3 | C15 | sing | 1.43Å | 1.43Å | |
| C22 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C14 | sing | 1.47Å | 1.48Å | |
| N4 | C9 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | doub | 1.34Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.52Å | 1.50Å | |
| C13 | C6 | sing | 1.52Å | 1.50Å | |
| C8 | C9 | sing | 1.51Å | 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 | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | C7 | 110.7° | 113.4° |
| C5 | C1 | C2 | 122.7° | 123.3° |
| C1 | C5 | C6 | 112.1° | 112.4° |
| C1 | C5 | C10 | 126.3° | 124.1° |
| C7 | C1 | C2 | 126.5° | 123.3° |
| C1 | C7 | S1 | 112.4° | 110.7° |
| C1 | C7 | N3 | 137.3° | 124.6° |
| C1 | C2 | O1 | 121.8° | 120.0° |
| C1 | C2 | N2 | 117.4° | 120.0° |
| O1 | C2 | N2 | 120.5° | 120.0° |
| C6 | S1 | C7 | 92.3° | 92.7° |
| S1 | C6 | C5 | 112.4° | 110.8° |
| S1 | C6 | C13 | 122.1° | 124.9° |
| S1 | C7 | N3 | 110.2° | 124.7° |
| C2 | N2 | C3 | 128.4° | 120.0° |
| C2 | N2 | HN2 | 115.8° | 120.0° |
| C3 | N2 | HN2 | 115.8° | 120.0° |
| N2 | C3 | C4 | 113.7° | 109.5° |
| N2 | C3 | H3 | 108.1° | 109.5° |
| N2 | C3 | H3A | 108.0° | 109.5° |
| O2 | C8 | N3 | 126.6° | 120.0° |
| O2 | C8 | C9 | 121.1° | 120.0° |
| C4 | C3 | H3 | 108.1° | 109.4° |
| C4 | C3 | H3A | 108.1° | 109.5° |
| C3 | C4 | C22 | 120.3° | 120.0° |
| C3 | C4 | C18 | 121.1° | 120.0° |
| H3 | C3 | H3A | 110.8° | 109.5° |
| C7 | N3 | C8 | 126.6° | 120.0° |
| C7 | N3 | HN3 | 116.7° | 120.0° |
| C8 | N3 | HN3 | 116.7° | 120.0° |
| N3 | C8 | C9 | 112.3° | 120.0° |
| C16 | O3 | C15 | 110.0° | 113.7° |
| O3 | C16 | C17 | 111.2° | 109.3° |
| O3 | C16 | H16 | 108.9° | 109.5° |
| O3 | C16 | H16A | 108.9° | 109.6° |
| O3 | C15 | C14 | 110.9° | 109.3° |
| O3 | C15 | H15 | 109.0° | 109.5° |
| O3 | C15 | H15A | 109.0° | 109.5° |
| C22 | C4 | C18 | 118.6° | 120.0° |
| C4 | C22 | C21 | 120.6° | 120.0° |
| C4 | C22 | H22 | 119.7° | 120.0° |
| C4 | C18 | C19 | 120.6° | 120.0° |
| C4 | C18 | H18 | 119.7° | 120.0° |
| C17 | N4 | C14 | 109.0° | 110.8° |
| C17 | N4 | C9 | 112.7° | 111.0° |
| N4 | C17 | C16 | 111.1° | 109.2° |
| N4 | C17 | H17 | 108.9° | 109.5° |
| N4 | C17 | H17A | 108.9° | 109.5° |
| C14 | N4 | C9 | 110.1° | 111.0° |
| N4 | C14 | C15 | 111.2° | 109.2° |
| N4 | C14 | H14 | 108.9° | 109.5° |
| N4 | C14 | H14A | 108.9° | 109.5° |
| N4 | C9 | C8 | 111.2° | 109.5° |
| N4 | C9 | H9 | 108.9° | 109.5° |
| N4 | C9 | H9A | 108.9° | 109.5° |
| C6 | C5 | C10 | 121.6° | 123.5° |
| C5 | C6 | C13 | 125.4° | 124.3° |
| C5 | C10 | C11 | 111.9° | 108.8° |
| C5 | C10 | H10 | 108.7° | 109.6° |
| C5 | C10 | H10A | 108.7° | 109.6° |
| C6 | C13 | C12 | 110.6° | 108.8° |
| C6 | C13 | H13 | 109.1° | 109.4° |
| C6 | C13 | H13A | 109.1° | 109.8° |
| C8 | C9 | H9 | 108.9° | 109.5° |
| C8 | C9 | H9A | 108.9° | 109.5° |
| H9 | C9 | H9A | 110.0° | 109.5° |
| C11 | C10 | H10 | 108.7° | 109.6° |
| C11 | C10 | H10A | 108.7° | 109.7° |
| C10 | C11 | C12 | 111.7° | 109.2° |
| C10 | C11 | H11 | 108.8° | 109.5° |
| C10 | C11 | H11A | 108.7° | 109.5° |
| H10 | C10 | H10A | 110.2° | 109.5° |
| C12 | C11 | H11 | 108.7° | 109.5° |
| C12 | C11 | H11A | 108.7° | 109.6° |
| C11 | C12 | C13 | 111.6° | 109.1° |
| C11 | C12 | H12 | 108.7° | 109.6° |
| C11 | C12 | H12A | 108.8° | 109.5° |
| H11 | C11 | H11A | 110.2° | 109.5° |
| C13 | C12 | H12 | 108.8° | 109.4° |
| C13 | C12 | H12A | 108.8° | 109.6° |
| C12 | C13 | H13 | 109.1° | 109.6° |
| C12 | C13 | H13A | 109.1° | 109.6° |
| H12 | C12 | H12A | 110.2° | 109.7° |
| H13 | C13 | H13A | 109.8° | 109.6° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| C15 | C14 | H14A | 108.9° | 109.5° |
| C14 | C15 | H15 | 109.0° | 109.5° |
| C14 | C15 | H15A | 109.0° | 109.5° |
| H14 | C14 | H14A | 110.0° | 109.5° |
| H15 | C15 | H15A | 110.0° | 109.5° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C17 | C16 | H16A | 108.9° | 109.5° |
| C16 | C17 | H17 | 108.9° | 109.5° |
| C16 | C17 | H17A | 108.9° | 109.5° |
| H16 | C16 | H16A | 110.1° | 109.5° |
| H17 | C17 | H17A | 110.0° | 109.5° |
| C19 | C18 | H18 | 119.7° | 119.9° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | H22 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | C7 | C2 | 178.9° | 179.8° |
| C5 | C1 | C2 | O1 | 82.3° | 90.0° |
| C1 | C5 | C6 | S1 | 0.0° | 0.0° |
| C5 | C1 | C7 | S1 | 2.9° | 0.4° |
| C5 | C1 | C2 | N2 | 91.9° | 90.0° |
| C5 | C1 | C7 | N3 | 178.2° | 179.9° |
| C1 | C5 | C6 | C10 | 179.2° | 180.0° |
| C1 | C5 | C6 | C13 | 178.4° | 179.8° |
| C1 | C5 | C10 | C11 | 164.3° | 162.9° |
| C1 | C5 | C10 | H10 | 44.2° | 77.3° |
| C1 | C5 | C10 | H10A | 75.7° | 42.9° |
| C7 | C1 | C2 | O1 | 96.5° | 90.3° |
| C1 | C7 | S1 | C6 | 2.5° | 0.4° |
| C1 | C7 | S1 | N3 | 179.2° | 179.7° |
| C7 | C1 | C2 | N2 | 89.3° | 89.7° |
| C1 | C7 | N3 | C8 | 4.5° | 179.6° |
| C1 | C7 | N3 | HN3 | 175.5° | 0.3° |
| C7 | C1 | C5 | C6 | 1.9° | 0.2° |
| C7 | C1 | C5 | C10 | 177.2° | 179.7° |
| C1 | C2 | O1 | N2 | 174.0° | 180.0° |
| C2 | C1 | C7 | S1 | 178.2° | 179.8° |
| C1 | C2 | N2 | C3 | 3.1° | 180.0° |
| C1 | C2 | N2 | HN2 | 176.9° | 0.0° |
| C2 | C1 | C7 | N3 | 0.7° | 0.2° |
| C2 | C1 | C5 | C6 | 179.2° | 180.0° |
| C2 | C1 | C5 | C10 | 1.7° | 0.0° |
| O1 | C2 | N2 | C3 | 171.1° | 0.0° |
| O1 | C2 | N2 | HN2 | 8.9° | 180.0° |
| C6 | S1 | C7 | N3 | 178.2° | 180.0° |
| S1 | C6 | C5 | C13 | 178.4° | 179.8° |
| S1 | C6 | C5 | C10 | 179.1° | 180.0° |
| S1 | C6 | C13 | C12 | 165.4° | 163.4° |
| S1 | C6 | C13 | H13 | 45.4° | 76.9° |
| S1 | C6 | C13 | H13A | 74.6° | 43.5° |
| S1 | C7 | N3 | C8 | 176.5° | 0.1° |
| S1 | C7 | N3 | HN3 | 3.5° | 180.0° |
| C7 | S1 | C6 | C5 | 1.4° | 0.2° |
| C7 | S1 | C6 | C13 | 179.9° | 180.0° |
| C2 | N2 | C3 | HN2 | 180.0° | 180.0° |
| C2 | N2 | C3 | C4 | 84.5° | 180.0° |
| C2 | N2 | C3 | H3 | 155.5° | 60.0° |
| C2 | N2 | C3 | H3A | 35.5° | 60.0° |
| N2 | C3 | C4 | H3 | 120.0° | 120.0° |
| N2 | C3 | C4 | H3A | 120.0° | 120.0° |
| N2 | C3 | H3 | H3A | 118.2° | 120.0° |
| N2 | C3 | C4 | C22 | 129.5° | 90.3° |
| N2 | C3 | C4 | C18 | 52.5° | 90.0° |
| HN2 | N2 | C3 | C4 | 95.5° | 0.0° |
| HN2 | N2 | C3 | H3 | 24.5° | 120.0° |
| HN2 | N2 | C3 | H3A | 144.5° | 120.0° |
| O2 | C8 | N3 | C7 | 4.4° | 0.0° |
| O2 | C8 | N3 | C9 | 179.8° | 180.0° |
| O2 | C8 | N3 | HN3 | 175.6° | 180.0° |
| O2 | C8 | C9 | N4 | 70.1° | 0.0° |
| O2 | C8 | C9 | H9 | 169.9° | 120.0° |
| O2 | C8 | C9 | H9A | 49.9° | 120.0° |
| C4 | C3 | H3 | H3A | 118.3° | 120.0° |
| C3 | C4 | C22 | C18 | 178.0° | 179.8° |
| C3 | C4 | C18 | C19 | 178.8° | 180.0° |
| C3 | C4 | C18 | H18 | 1.2° | 0.0° |
| C3 | C4 | C22 | C21 | 179.0° | 179.7° |
| C3 | C4 | C22 | H22 | 1.0° | 0.0° |
| H3 | C3 | C4 | C22 | 110.4° | 149.7° |
| H3 | C3 | C4 | C18 | 67.5° | 30.0° |
| H3A | C3 | C4 | C22 | 9.6° | 29.7° |
| H3A | C3 | C4 | C18 | 172.5° | 150.0° |
| C7 | N3 | C8 | HN3 | 180.0° | 179.9° |
| C7 | N3 | C8 | C9 | 175.9° | 180.0° |
| N3 | C8 | C9 | N4 | 109.7° | 180.0° |
| N3 | C8 | C9 | H9 | 10.3° | 60.0° |
| N3 | C8 | C9 | H9A | 130.3° | 60.0° |
| HN3 | N3 | C8 | C9 | 4.1° | 0.1° |
| O3 | C16 | C17 | N4 | 57.4° | 56.8° |
| C16 | O3 | C15 | C14 | 59.2° | 58.7° |
| C16 | O3 | C15 | H15 | 179.2° | 178.6° |
| C16 | O3 | C15 | H15A | 60.8° | 61.3° |
| O3 | C16 | C17 | H16 | 120.0° | 119.9° |
| O3 | C16 | C17 | H16A | 120.0° | 120.0° |
| O3 | C16 | H16 | H16A | 119.3° | 120.2° |
| O3 | C16 | C17 | H17 | 62.6° | 63.1° |
| O3 | C16 | C17 | H17A | 177.4° | 176.8° |
| O3 | C15 | C14 | N4 | 58.2° | 56.9° |
| O3 | C15 | C14 | H15 | 120.0° | 119.9° |
| O3 | C15 | C14 | H15A | 120.0° | 120.0° |
| O3 | C15 | C14 | H14 | 178.1° | 176.8° |
| O3 | C15 | C14 | H14A | 61.9° | 63.0° |
| O3 | C15 | H15 | H15A | 119.4° | 120.1° |
| C15 | O3 | C16 | C17 | 58.9° | 58.6° |
| C15 | O3 | C16 | H16 | 61.1° | 61.2° |
| C15 | O3 | C16 | H16A | 178.9° | 178.6° |
| C22 | C4 | C18 | C19 | 0.9° | 0.2° |
| C22 | C4 | C18 | H18 | 179.1° | 179.8° |
| C4 | C22 | C21 | C20 | 0.5° | 0.5° |
| C4 | C22 | C21 | H22 | 180.0° | 179.7° |
| C4 | C22 | C21 | H21 | 179.5° | 179.7° |
| C4 | C18 | C19 | H18 | 180.0° | 180.0° |
| C4 | C18 | C19 | C20 | 0.3° | 0.1° |
| C4 | C18 | C19 | H19 | 179.7° | 180.0° |
| C18 | C4 | C22 | C21 | 1.0° | 0.5° |
| C18 | C4 | C22 | H22 | 179.0° | 179.8° |
| C17 | N4 | C14 | C9 | 124.0° | 123.7° |
| C17 | N4 | C9 | C8 | 70.6° | 66.4° |
| C17 | N4 | C9 | H9 | 49.3° | 53.6° |
| C17 | N4 | C9 | H9A | 169.4° | 173.6° |
| C17 | N4 | C14 | C15 | 54.9° | 58.6° |
| C17 | N4 | C14 | H14 | 174.9° | 178.6° |
| C17 | N4 | C14 | H14A | 65.1° | 61.3° |
| N4 | C17 | C16 | H17 | 120.0° | 119.9° |
| N4 | C17 | C16 | H17A | 120.0° | 120.0° |
| N4 | C17 | C16 | H16 | 62.6° | 63.1° |
| N4 | C17 | C16 | H16A | 177.4° | 176.8° |
| N4 | C17 | H17 | H17A | 119.3° | 120.1° |
| C14 | N4 | C9 | C8 | 167.5° | 170.0° |
| C14 | N4 | C9 | H9 | 72.5° | 70.0° |
| C14 | N4 | C9 | H9A | 47.5° | 50.0° |
| N4 | C14 | C15 | H14 | 120.0° | 120.0° |
| N4 | C14 | C15 | H14A | 120.0° | 119.9° |
| N4 | C14 | H14 | H14A | 119.3° | 120.1° |
| N4 | C14 | C15 | H15 | 178.1° | 176.8° |
| N4 | C14 | C15 | H15A | 61.8° | 63.1° |
| C14 | N4 | C17 | C16 | 54.4° | 58.6° |
| C14 | N4 | C17 | H17 | 65.6° | 61.3° |
| C14 | N4 | C17 | H17A | 174.5° | 178.6° |
| N4 | C9 | C8 | H9 | 120.0° | 120.0° |
| N4 | C9 | C8 | H9A | 120.0° | 120.0° |
| N4 | C9 | H9 | H9A | 119.3° | 120.0° |
| C9 | N4 | C14 | C15 | 179.0° | 177.6° |
| C9 | N4 | C14 | H14 | 61.0° | 57.7° |
| C9 | N4 | C14 | H14A | 58.9° | 62.4° |
| C9 | N4 | C17 | C16 | 176.9° | 177.6° |
| C9 | N4 | C17 | H17 | 57.0° | 62.5° |
| C9 | N4 | C17 | H17A | 63.0° | 57.7° |
| C6 | C5 | C10 | C11 | 16.7° | 17.1° |
| C6 | C5 | C10 | H10 | 136.7° | 102.7° |
| C6 | C5 | C10 | H10A | 103.3° | 137.1° |
| C5 | C6 | C13 | C12 | 16.3° | 16.4° |
| C5 | C6 | C13 | H13 | 136.3° | 103.3° |
| C5 | C6 | C13 | H13A | 103.7° | 136.3° |
| C10 | C5 | C6 | C13 | 2.4° | 0.2° |
| C5 | C10 | C11 | H10 | 120.0° | 119.8° |
| C5 | C10 | C11 | H10A | 120.0° | 119.9° |
| C5 | C10 | H10 | H10A | 119.0° | 120.3° |
| C5 | C10 | C11 | C12 | 45.1° | 50.6° |
| C5 | C10 | C11 | H11 | 74.9° | 170.5° |
| C5 | C10 | C11 | H11A | 165.1° | 69.4° |
| C6 | C13 | C12 | C11 | 44.4° | 49.8° |
| C6 | C13 | C12 | H13 | 120.0° | 119.6° |
| C6 | C13 | C12 | H13A | 120.0° | 120.1° |
| C6 | C13 | C12 | H12 | 164.4° | 70.1° |
| C6 | C13 | C12 | H12A | 75.6° | 169.7° |
| C6 | C13 | H13 | H13A | 119.5° | 120.5° |
| C8 | C9 | H9 | H9A | 119.3° | 120.0° |
| C11 | C10 | H10 | H10A | 119.0° | 120.4° |
| C10 | C11 | C12 | H11 | 120.0° | 119.9° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 119.1° | 120.1° |
| C10 | C11 | C12 | C13 | 61.0° | 70.2° |
| C10 | C11 | C12 | H12 | 179.0° | 49.5° |
| C10 | C11 | C12 | H12A | 59.0° | 169.8° |
| H10 | C10 | C11 | C12 | 165.1° | 69.2° |
| H10 | C10 | C11 | H11 | 45.1° | 50.7° |
| H10 | C10 | C11 | H11A | 74.9° | 170.8° |
| H10A | C10 | C11 | C12 | 74.9° | 170.5° |
| H10A | C10 | C11 | H11 | 165.1° | 69.6° |
| H10A | C10 | C11 | H11A | 45.1° | 50.5° |
| C12 | C11 | H11 | H11A | 119.1° | 120.2° |
| C11 | C12 | C13 | H12 | 120.0° | 119.8° |
| C11 | C12 | C13 | H12A | 120.0° | 119.9° |
| C11 | C12 | H12 | H12A | 119.1° | 120.3° |
| C11 | C12 | C13 | H13 | 164.4° | 69.8° |
| C11 | C12 | C13 | H13A | 75.6° | 169.9° |
| H11 | C11 | C12 | C13 | 59.0° | 169.9° |
| H11 | C11 | C12 | H12 | 61.0° | 70.4° |
| H11 | C11 | C12 | H12A | 179.0° | 50.0° |
| H11A | C11 | C12 | C13 | 179.0° | 49.8° |
| H11A | C11 | C12 | H12 | 59.0° | 169.5° |
| H11A | C11 | C12 | H12A | 61.0° | 70.2° |
| C13 | C12 | H12 | H12A | 119.1° | 120.2° |
| C12 | C13 | H13 | H13A | 119.6° | 120.3° |
| H12 | C12 | C13 | H13 | 75.6° | 170.4° |
| H12 | C12 | C13 | H13A | 44.4° | 50.0° |
| H12A | C12 | C13 | H13 | 44.4° | 50.1° |
| H12A | C12 | C13 | H13A | 164.4° | 70.2° |
| C15 | C14 | H14 | H14A | 119.3° | 120.1° |
| C14 | C15 | H15 | H15A | 119.4° | 120.1° |
| H14 | C14 | C15 | H15 | 61.9° | 63.3° |
| H14 | C14 | C15 | H15A | 58.1° | 56.9° |
| H14A | C14 | C15 | H15 | 58.1° | 56.8° |
| H14A | C14 | C15 | H15A | 178.1° | 177.0° |
| C17 | C16 | H16 | H16A | 119.3° | 120.1° |
| C16 | C17 | H17 | H17A | 119.3° | 120.1° |
| H16 | C16 | C17 | H17 | 177.4° | 177.0° |
| H16 | C16 | C17 | H17A | 57.4° | 56.9° |
| H16A | C16 | C17 | H17 | 57.4° | 56.9° |
| H16A | C16 | C17 | H17A | 62.6° | 63.2° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| H18 | C18 | C19 | C20 | 179.7° | 180.0° |
| H18 | C18 | C19 | H19 | 0.3° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| H19 | C19 | C20 | C21 | 179.8° | 180.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C20 | C21 | C22 | H22 | 179.5° | 179.8° |
| H20 | C20 | C21 | C22 | 179.9° | 179.7° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| H21 | C21 | C22 | H22 | 0.5° | 0.0° |
