Q5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C13 | sing | 1.40Å | 1.33Å | |
| F2 | C13 | sing | 1.40Å | 1.35Å | |
| C13 | C10 | sing | 1.53Å | 1.49Å | |
| C13 | F1 | sing | 1.40Å | 1.35Å | |
| C10 | N3 | sing | 1.47Å | 1.44Å | |
| C7 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| O6 | S2 | doub | 1.42Å | 1.45Å | |
| C8 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| N3 | S2 | sing | 1.66Å | 1.85Å | |
| N3 | C5 | sing | 1.40Å | 1.46Å | |
| C4 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.39Å | Aromatic |
| S2 | O5 | doub | 1.42Å | 1.45Å | |
| S2 | C20 | sing | 1.76Å | 1.81Å | |
| C5 | C1 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N2 | sing | 1.39Å | 1.52Å | |
| O2 | C12 | doub | 1.21Å | 1.24Å | |
| C11 | N2 | sing | 1.46Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | S1 | sing | 1.66Å | 1.85Å | |
| C12 | O1 | sing | 1.34Å | 1.25Å | |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| O3 | S1 | doub | 1.42Å | 1.45Å | |
| S1 | O4 | doub | 1.42Å | 1.45Å | |
| S1 | C14 | sing | 1.76Å | 1.80Å | |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | O7 | sing | 1.36Å | 1.40Å | |
| C19 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| O7 | C27 | sing | 1.43Å | 1.42Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | O8 | sing | 1.36Å | 1.41Å | |
| C26 | O8 | sing | 1.43Å | 1.40Å | |
| C19 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.08Å | 1.08Å | |
| C6 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C13 | F2 | 111.6° | 109.5° |
| F3 | C13 | C10 | 101.7° | 109.5° |
| F3 | C13 | F1 | 107.4° | 109.4° |
| F2 | C13 | C10 | 103.9° | 109.5° |
| F2 | C13 | F1 | 111.8° | 109.4° |
| C10 | C13 | F1 | 120.1° | 109.5° |
| C13 | C10 | N3 | 122.1° | 109.4° |
| C13 | C10 | H12 | 106.3° | 109.5° |
| C13 | C10 | H13 | 106.2° | 109.5° |
| C10 | N3 | S2 | 122.2° | 120.0° |
| C10 | N3 | C5 | 122.5° | 120.0° |
| N3 | C10 | H12 | 106.2° | 109.4° |
| N3 | C10 | H13 | 106.3° | 109.5° |
| C6 | C7 | C8 | 120.2° | 120.9° |
| C7 | C6 | C4 | 119.8° | 119.5° |
| C6 | C7 | H22 | 119.9° | 119.6° |
| C7 | C6 | H23 | 120.1° | 120.2° |
| C7 | C8 | C9 | 121.3° | 121.0° |
| C7 | C8 | H21 | 119.4° | 119.5° |
| C8 | C7 | H22 | 119.9° | 119.5° |
| C6 | C4 | C5 | 121.0° | 122.2° |
| C6 | C4 | C3 | 119.4° | 119.6° |
| C4 | C6 | H23 | 120.1° | 120.3° |
| O6 | S2 | N3 | 103.6° | 106.4° |
| O6 | S2 | O5 | 111.0° | 123.1° |
| O6 | S2 | C20 | 113.6° | 106.4° |
| C8 | C9 | C3 | 118.3° | 119.5° |
| C8 | C9 | H20 | 120.8° | 120.2° |
| C9 | C8 | H21 | 119.4° | 119.4° |
| S2 | N3 | C5 | 113.9° | 120.0° |
| N3 | S2 | O5 | 115.2° | 106.4° |
| N3 | S2 | C20 | 116.5° | 107.2° |
| N3 | C5 | C4 | 117.7° | 120.7° |
| N3 | C5 | C1 | 122.7° | 120.6° |
| C5 | C4 | C3 | 119.6° | 118.2° |
| C4 | C5 | C1 | 119.2° | 118.8° |
| C4 | C3 | C9 | 120.9° | 119.3° |
| C4 | C3 | C2 | 118.7° | 118.6° |
| O5 | S2 | C20 | 97.4° | 106.4° |
| S2 | C20 | C21 | 117.4° | 119.9° |
| S2 | C20 | C25 | 119.6° | 119.9° |
| C5 | C1 | N1 | 118.7° | 121.8° |
| C5 | C1 | H11 | 120.6° | 119.1° |
| C9 | C3 | C2 | 120.3° | 122.0° |
| C3 | C9 | H20 | 120.8° | 120.2° |
| C3 | C2 | N1 | 119.4° | 119.9° |
| C3 | C2 | N2 | 120.0° | 120.1° |
| C1 | N1 | C2 | 124.4° | 122.7° |
| N1 | C1 | H11 | 120.7° | 119.1° |
| C21 | C20 | C25 | 123.0° | 120.2° |
| C20 | C21 | C22 | 118.7° | 120.0° |
| C20 | C21 | H2 | 120.7° | 120.0° |
| C20 | C25 | C24 | 117.4° | 120.0° |
| C20 | C25 | H19 | 121.3° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C22 | C21 | H2 | 120.6° | 120.0° |
| C21 | C22 | H14 | 120.2° | 120.0° |
| N1 | C2 | N2 | 120.6° | 120.1° |
| C2 | N2 | C11 | 114.5° | 120.0° |
| C2 | N2 | S1 | 123.8° | 120.0° |
| O2 | C12 | C11 | 117.1° | 120.0° |
| O2 | C12 | O1 | 116.4° | 120.0° |
| N2 | C11 | C12 | 119.0° | 109.4° |
| C11 | N2 | S1 | 121.6° | 120.0° |
| N2 | C11 | H8 | 107.0° | 109.5° |
| N2 | C11 | H9 | 107.0° | 109.5° |
| C11 | C12 | O1 | 126.5° | 120.0° |
| C12 | C11 | H8 | 107.1° | 109.4° |
| C12 | C11 | H9 | 107.0° | 109.5° |
| C25 | C24 | C23 | 120.5° | 119.9° |
| C25 | C24 | H18 | 119.8° | 120.0° |
| C24 | C25 | H19 | 121.3° | 120.0° |
| N2 | S1 | O3 | 125.9° | 106.4° |
| N2 | S1 | O4 | 110.2° | 106.4° |
| N2 | S1 | C14 | 104.1° | 107.2° |
| C12 | O1 | H10 | 109.5° | 117.0° |
| C22 | C23 | C24 | 120.6° | 119.9° |
| C22 | C23 | O7 | 117.3° | 120.0° |
| C23 | C22 | H14 | 120.2° | 120.1° |
| O3 | S1 | O4 | 96.3° | 123.2° |
| O3 | S1 | C14 | 107.7° | 106.4° |
| O4 | S1 | C14 | 112.8° | 106.4° |
| S1 | C14 | C19 | 119.0° | 119.9° |
| S1 | C14 | C15 | 117.6° | 120.0° |
| C24 | C23 | O7 | 122.1° | 120.1° |
| C23 | C24 | H18 | 119.8° | 120.0° |
| C23 | O7 | C27 | 114.1° | 117.0° |
| C14 | C19 | C18 | 118.3° | 120.0° |
| C19 | C14 | C15 | 123.3° | 120.1° |
| C14 | C19 | H1 | 120.9° | 120.0° |
| C19 | C18 | C17 | 119.7° | 119.9° |
| C18 | C19 | H1 | 120.8° | 120.0° |
| C19 | C18 | H3 | 120.1° | 120.0° |
| C14 | C15 | C16 | 118.5° | 120.1° |
| C14 | C15 | H24 | 120.8° | 120.0° |
| O7 | C27 | H15 | 109.5° | 109.5° |
| O7 | C27 | H16 | 109.5° | 109.5° |
| O7 | C27 | H17 | 109.4° | 109.5° |
| C18 | C17 | C16 | 119.7° | 119.9° |
| C18 | C17 | O8 | 121.3° | 120.0° |
| C17 | C18 | H3 | 120.1° | 120.1° |
| C15 | C16 | C17 | 120.4° | 119.9° |
| C15 | C16 | H4 | 119.8° | 120.0° |
| C16 | C15 | H24 | 120.7° | 120.0° |
| C16 | C17 | O8 | 119.0° | 120.0° |
| C17 | C16 | H4 | 119.8° | 120.0° |
| C17 | O8 | C26 | 114.8° | 117.0° |
| O8 | C26 | H5 | 109.5° | 109.5° |
| O8 | C26 | H6 | 109.5° | 109.5° |
| O8 | C26 | H7 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.4° | 109.5° |
| H5 | C26 | H7 | 109.4° | 109.4° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.4° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.4° |
| H15 | C27 | H17 | 109.5° | 109.4° |
| H16 | C27 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C13 | F2 | C10 | 108.8° | 120.0° |
| F3 | C13 | F2 | F1 | 120.2° | 120.0° |
| F3 | C13 | C10 | F1 | 118.2° | 120.0° |
| F3 | C13 | C10 | N3 | 142.0° | 60.0° |
| F3 | C13 | C10 | H12 | 20.3° | 179.9° |
| F3 | C13 | C10 | H13 | 96.2° | 60.0° |
| F2 | C13 | C10 | F1 | 125.8° | 120.0° |
| F2 | C13 | C10 | N3 | 102.0° | 180.0° |
| F2 | C13 | C10 | H12 | 136.2° | 60.0° |
| F2 | C13 | C10 | H13 | 19.8° | 60.0° |
| C13 | C10 | N3 | H12 | 121.8° | 120.0° |
| C13 | C10 | N3 | H13 | 121.7° | 120.0° |
| C13 | C10 | N3 | S2 | 101.7° | 95.0° |
| C13 | C10 | N3 | C5 | 92.6° | 85.1° |
| C13 | C10 | H12 | H13 | 114.3° | 120.1° |
| F1 | C13 | C10 | N3 | 23.8° | 60.0° |
| F1 | C13 | C10 | H12 | 98.0° | 59.9° |
| F1 | C13 | C10 | H13 | 145.6° | 180.0° |
| C10 | N3 | S2 | O6 | 5.5° | 23.6° |
| C10 | N3 | S2 | C5 | 166.8° | 180.0° |
| C10 | N3 | C5 | C4 | 75.0° | 95.0° |
| C10 | N3 | S2 | O5 | 115.9° | 156.4° |
| C10 | N3 | S2 | C20 | 131.0° | 90.0° |
| C10 | N3 | C5 | C1 | 112.5° | 85.0° |
| N3 | C10 | H12 | H13 | 114.3° | 120.0° |
| C6 | C7 | C8 | H22 | 180.0° | 179.5° |
| C7 | C6 | C4 | H23 | 180.0° | 179.5° |
| C6 | C7 | C8 | C9 | 0.4° | 0.3° |
| C7 | C6 | C4 | C5 | 179.3° | 179.8° |
| C7 | C6 | C4 | C3 | 1.1° | 0.5° |
| C6 | C7 | C8 | H21 | 179.6° | 179.8° |
| C8 | C7 | C6 | C4 | 0.0° | 0.5° |
| C7 | C8 | C9 | H21 | 180.0° | 179.9° |
| C7 | C8 | C9 | C3 | 0.3° | 0.1° |
| C7 | C8 | C9 | H20 | 179.7° | 180.0° |
| C8 | C7 | C6 | H23 | 180.0° | 180.0° |
| C6 | C4 | C5 | N3 | 6.4° | 0.1° |
| C6 | C4 | C5 | C3 | 178.2° | 179.7° |
| C6 | C4 | C5 | C1 | 179.1° | 180.0° |
| C6 | C4 | C3 | C9 | 1.9° | 0.3° |
| C6 | C4 | C3 | C2 | 178.5° | 179.8° |
| C4 | C6 | C7 | H22 | 180.0° | 180.0° |
| O6 | S2 | N3 | O5 | 121.4° | 132.9° |
| O6 | S2 | N3 | C20 | 125.5° | 113.6° |
| O6 | S2 | N3 | C5 | 172.3° | 156.4° |
| O6 | S2 | O5 | C20 | 118.8° | 123.0° |
| O6 | S2 | C20 | C21 | 36.6° | 23.6° |
| O6 | S2 | C20 | C25 | 143.5° | 156.4° |
| C8 | C9 | C3 | C4 | 1.5° | 0.1° |
| C8 | C9 | C3 | H20 | 180.0° | 179.9° |
| C8 | C9 | C3 | C2 | 178.0° | 179.5° |
| C9 | C8 | C7 | H22 | 179.6° | 179.8° |
| S2 | N3 | C5 | C4 | 91.7° | 85.0° |
| N3 | S2 | O5 | C20 | 123.9° | 114.1° |
| S2 | N3 | C5 | C1 | 80.8° | 95.0° |
| N3 | S2 | C20 | C21 | 83.7° | 90.0° |
| N3 | S2 | C20 | C25 | 96.2° | 90.0° |
| S2 | N3 | C10 | H12 | 20.1° | 145.0° |
| S2 | N3 | C10 | H13 | 136.5° | 25.0° |
| N3 | C5 | C4 | C1 | 172.7° | 180.0° |
| N3 | C5 | C4 | C3 | 175.4° | 179.7° |
| C5 | N3 | S2 | O5 | 50.9° | 23.5° |
| C5 | N3 | S2 | C20 | 62.2° | 90.0° |
| N3 | C5 | C1 | N1 | 173.7° | 180.0° |
| N3 | C5 | C1 | H11 | 6.3° | 0.0° |
| C5 | N3 | C10 | H12 | 145.6° | 35.0° |
| C5 | N3 | C10 | H13 | 29.1° | 154.9° |
| C5 | C4 | C3 | C9 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 3.3° | 0.5° |
| C4 | C5 | C1 | N1 | 1.4° | 0.0° |
| C4 | C5 | C1 | H11 | 178.6° | 180.0° |
| C5 | C4 | C6 | H23 | 0.7° | 0.3° |
| C3 | C4 | C5 | C1 | 2.7° | 0.3° |
| C4 | C3 | C9 | C2 | 176.6° | 179.5° |
| C4 | C3 | C2 | N1 | 2.7° | 0.5° |
| C4 | C3 | C2 | N2 | 176.4° | 179.8° |
| C4 | C3 | C9 | H20 | 178.5° | 180.0° |
| C3 | C4 | C6 | H23 | 178.9° | 180.0° |
| O5 | S2 | C20 | C21 | 153.4° | 156.5° |
| O5 | S2 | C20 | C25 | 26.8° | 23.5° |
| S2 | C20 | C21 | C25 | 179.9° | 180.0° |
| S2 | C20 | C21 | C22 | 179.4° | 180.0° |
| S2 | C20 | C25 | C24 | 179.4° | 179.5° |
| S2 | C20 | C21 | H2 | 0.6° | 0.3° |
| S2 | C20 | C25 | H19 | 0.6° | 0.1° |
| C5 | C1 | N1 | H11 | 180.0° | 180.0° |
| C5 | C1 | N1 | C2 | 0.8° | 0.0° |
| C9 | C3 | C2 | N1 | 179.3° | 180.0° |
| C9 | C3 | C2 | N2 | 0.2° | 0.3° |
| C3 | C9 | C8 | H21 | 179.7° | 180.0° |
| C3 | C2 | N1 | C1 | 1.5° | 0.3° |
| C3 | C2 | N1 | N2 | 179.1° | 179.7° |
| C3 | C2 | N2 | C11 | 104.4° | 83.7° |
| C3 | C2 | N2 | S1 | 78.6° | 96.2° |
| C2 | C3 | C9 | H20 | 2.0° | 0.5° |
| C1 | N1 | C2 | N2 | 177.6° | 180.0° |
| C20 | C21 | C22 | H2 | 180.0° | 179.8° |
| C21 | C20 | C25 | C24 | 0.5° | 0.5° |
| C20 | C21 | C22 | C23 | 1.5° | 0.2° |
| C20 | C21 | C22 | H14 | 178.5° | 179.7° |
| C21 | C20 | C25 | H19 | 179.5° | 179.9° |
| C25 | C20 | C21 | C22 | 0.5° | 0.0° |
| C20 | C25 | C24 | H19 | 180.0° | 179.6° |
| C20 | C25 | C24 | C23 | 1.6° | 0.8° |
| C25 | C20 | C21 | H2 | 179.5° | 179.7° |
| C20 | C25 | C24 | H18 | 178.4° | 179.8° |
| C21 | C22 | C23 | H14 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 2.7° | 0.1° |
| C21 | C22 | C23 | O7 | 179.9° | 180.0° |
| N1 | C2 | N2 | C11 | 76.5° | 96.6° |
| N1 | C2 | N2 | S1 | 100.5° | 83.5° |
| C2 | N1 | C1 | H11 | 179.2° | 179.9° |
| C2 | N2 | C11 | S1 | 177.0° | 179.9° |
| C2 | N2 | C11 | C12 | 47.5° | 85.0° |
| C2 | N2 | S1 | O3 | 53.6° | 23.6° |
| C2 | N2 | S1 | O4 | 167.8° | 156.5° |
| C2 | N2 | S1 | C14 | 71.0° | 90.0° |
| C2 | N2 | C11 | H8 | 168.8° | 155.1° |
| C2 | N2 | C11 | H9 | 73.9° | 35.1° |
| O2 | C12 | C11 | N2 | 140.9° | 0.1° |
| O2 | C12 | C11 | O1 | 179.1° | 179.9° |
| O2 | C12 | C11 | H8 | 97.7° | 120.0° |
| O2 | C12 | C11 | H9 | 19.6° | 119.9° |
| O2 | C12 | O1 | H10 | 0.0° | 0.1° |
| N2 | C11 | C12 | H8 | 121.3° | 119.9° |
| N2 | C11 | C12 | H9 | 121.4° | 120.0° |
| N2 | C11 | C12 | O1 | 39.9° | 180.0° |
| C11 | N2 | S1 | O3 | 129.7° | 156.5° |
| C11 | N2 | S1 | O4 | 15.5° | 23.6° |
| C11 | N2 | S1 | C14 | 105.7° | 90.0° |
| N2 | C11 | H8 | H9 | 115.7° | 120.1° |
| C12 | C11 | N2 | S1 | 129.6° | 95.1° |
| C12 | C11 | H8 | H9 | 115.7° | 120.0° |
| C11 | C12 | O1 | H10 | 179.1° | 180.0° |
| C25 | C24 | C23 | C22 | 2.7° | 0.5° |
| C25 | C24 | C23 | H18 | 180.0° | 179.5° |
| C25 | C24 | C23 | O7 | 179.9° | 179.6° |
| N2 | S1 | O3 | O4 | 120.5° | 122.9° |
| N2 | S1 | O3 | C14 | 123.1° | 114.1° |
| N2 | S1 | O4 | C14 | 115.8° | 114.1° |
| N2 | S1 | C14 | C19 | 86.1° | 90.0° |
| N2 | S1 | C14 | C15 | 90.0° | 90.0° |
| S1 | N2 | C11 | H8 | 8.2° | 24.8° |
| S1 | N2 | C11 | H9 | 109.1° | 144.9° |
| O1 | C12 | C11 | H8 | 81.4° | 60.1° |
| O1 | C12 | C11 | H9 | 161.3° | 60.0° |
| C22 | C23 | C24 | O7 | 177.4° | 179.9° |
| C22 | C23 | O7 | C27 | 77.1° | 180.0° |
| C23 | C22 | C21 | H2 | 178.4° | 180.0° |
| C22 | C23 | C24 | H18 | 177.3° | 180.0° |
| O3 | S1 | O4 | C14 | 112.2° | 123.0° |
| O3 | S1 | C14 | C19 | 49.5° | 23.6° |
| O3 | S1 | C14 | C15 | 134.4° | 156.5° |
| O4 | S1 | C14 | C19 | 154.5° | 156.5° |
| O4 | S1 | C14 | C15 | 29.4° | 23.6° |
| S1 | C14 | C19 | C15 | 175.9° | 180.0° |
| S1 | C14 | C19 | C18 | 177.4° | 180.0° |
| S1 | C14 | C15 | C16 | 176.8° | 180.0° |
| S1 | C14 | C19 | H1 | 2.6° | 0.3° |
| S1 | C14 | C15 | H24 | 3.2° | 0.0° |
| C24 | C23 | O7 | C27 | 100.3° | 0.1° |
| C24 | C23 | C22 | H14 | 177.3° | 180.0° |
| C23 | C24 | C25 | H19 | 178.4° | 179.7° |
| O7 | C23 | C22 | H14 | 0.1° | 0.1° |
| C23 | O7 | C27 | H15 | 180.0° | 180.0° |
| C23 | O7 | C27 | H16 | 60.0° | 60.0° |
| C23 | O7 | C27 | H17 | 60.0° | 60.0° |
| O7 | C23 | C24 | H18 | 0.0° | 0.1° |
| C14 | C19 | C18 | H1 | 180.0° | 179.7° |
| C14 | C19 | C18 | C17 | 1.0° | 0.0° |
| C19 | C14 | C15 | C16 | 0.9° | 0.0° |
| C14 | C19 | C18 | H3 | 179.0° | 180.0° |
| C19 | C14 | C15 | H24 | 179.1° | 180.0° |
| C18 | C19 | C14 | C15 | 1.6° | 0.0° |
| C19 | C18 | C17 | H3 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C18 | C17 | O8 | 179.0° | 180.0° |
| C14 | C15 | C16 | H24 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C15 | C14 | C19 | H1 | 178.4° | 179.7° |
| C14 | C15 | C16 | H4 | 179.7° | 180.0° |
| O7 | C27 | H15 | H16 | 120.0° | 120.0° |
| O7 | C27 | H15 | H17 | 120.0° | 120.0° |
| O7 | C27 | H16 | H17 | 120.0° | 120.1° |
| C18 | C17 | C16 | C15 | 0.7° | 0.0° |
| C18 | C17 | C16 | O8 | 179.1° | 180.0° |
| C18 | C17 | O8 | C26 | 53.1° | 180.0° |
| C17 | C18 | C19 | H1 | 179.0° | 179.7° |
| C18 | C17 | C16 | H4 | 179.3° | 179.9° |
| C15 | C16 | C17 | H4 | 180.0° | 179.9° |
| C15 | C16 | C17 | O8 | 178.3° | 180.0° |
| C16 | C17 | O8 | C26 | 127.9° | 0.0° |
| C16 | C17 | C18 | H3 | 179.9° | 180.0° |
| C17 | C16 | C15 | H24 | 179.7° | 180.0° |
| O8 | C17 | C18 | H3 | 1.1° | 0.0° |
| O8 | C17 | C16 | H4 | 1.7° | 0.0° |
| C17 | O8 | C26 | H5 | 180.0° | 60.0° |
| C17 | O8 | C26 | H6 | 60.0° | 180.0° |
| C17 | O8 | C26 | H7 | 60.0° | 60.0° |
| O8 | C26 | H5 | H6 | 120.0° | 120.1° |
| O8 | C26 | H5 | H7 | 120.0° | 120.0° |
| O8 | C26 | H6 | H7 | 120.0° | 120.0° |
| H1 | C19 | C18 | H3 | 1.0° | 0.3° |
| H2 | C21 | C22 | H14 | 1.6° | 0.1° |
| H4 | C16 | C15 | H24 | 0.3° | 0.1° |
| H5 | C26 | H6 | H7 | 119.9° | 119.9° |
| H15 | C27 | H16 | H17 | 120.0° | 119.9° |
| H18 | C24 | C25 | H19 | 1.6° | 0.2° |
| H20 | C9 | C8 | H21 | 0.3° | 0.1° |
| H21 | C8 | C7 | H22 | 0.4° | 0.2° |
| H22 | C7 | C6 | H23 | 0.0° | 0.5° |
