TWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.28Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.52Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.47Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.27Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.29Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.54Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.58Å | |
| O2 | C10 | doub | 1.22Å | 1.13Å | |
| C10 | N1 | sing | 1.35Å | 1.53Å | |
| N1 | C8 | sing | 1.47Å | 1.43Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C17 | C8 | sing | 1.52Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.59Å | |
| C7 | C5 | sing | 1.51Å | 1.56Å | |
| C8 | C18 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | doub | 1.39Å | 1.51Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.31Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.30Å | Aromatic |
| C9 | C6 | sing | 1.51Å | 1.49Å | |
| C9 | C19 | sing | 1.51Å | 1.48Å | |
| C6 | C1 | doub | 1.39Å | 1.50Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.51Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.30Å | Aromatic |
| C19 | C24 | doub | 1.38Å | 1.55Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.32Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.32Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.54Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.53Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.32Å | Aromatic |
| C22 | O3 | sing | 1.36Å | 1.42Å | |
| O3 | C25 | sing | 1.43Å | 1.38Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C27 | sing | 1.47Å | 1.45Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H29 | sing | 1.01Å | 1.00Å | |
| O1 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 119.8° | 120.2° |
| C13 | C14 | C15 | 120.3° | 120.3° |
| C14 | C13 | H4 | 120.1° | 119.9° |
| C13 | C14 | H18 | 119.8° | 119.8° |
| C13 | C12 | C11 | 120.3° | 119.9° |
| C12 | C13 | H4 | 120.1° | 119.9° |
| C13 | C12 | H17 | 119.9° | 120.1° |
| C14 | C15 | C16 | 121.4° | 120.1° |
| C14 | C15 | H5 | 119.3° | 119.9° |
| C15 | C14 | H18 | 119.8° | 119.9° |
| C12 | C11 | C16 | 119.9° | 119.7° |
| C12 | C11 | C10 | 113.6° | 120.2° |
| C11 | C12 | H17 | 119.9° | 120.0° |
| C15 | C16 | C11 | 118.2° | 119.9° |
| C16 | C15 | H5 | 119.3° | 119.9° |
| C15 | C16 | H19 | 120.9° | 120.1° |
| C16 | C11 | C10 | 126.4° | 120.2° |
| C11 | C16 | H19 | 120.9° | 120.1° |
| C11 | C10 | O2 | 120.6° | 119.9° |
| C11 | C10 | N1 | 122.1° | 120.0° |
| O2 | C10 | N1 | 116.8° | 120.0° |
| C10 | N1 | C8 | 121.3° | 121.6° |
| C10 | N1 | C9 | 115.5° | 121.7° |
| C8 | N1 | C9 | 123.2° | 116.7° |
| N1 | C8 | C17 | 134.3° | 118.0° |
| N1 | C8 | C7 | 112.4° | 113.5° |
| N1 | C8 | C18 | 119.9° | 118.0° |
| N1 | C9 | C6 | 109.4° | 110.5° |
| N1 | C9 | C19 | 112.1° | 109.3° |
| N1 | C9 | H28 | 107.9° | 109.3° |
| C8 | C17 | C18 | 62.5° | 59.9° |
| C17 | C8 | C7 | 110.0° | 118.6° |
| C17 | C8 | C18 | 56.6° | 60.3° |
| C8 | C17 | H6 | 119.6° | 117.5° |
| C8 | C17 | H7 | 119.6° | 117.5° |
| C17 | C18 | C8 | 61.0° | 59.8° |
| C18 | C17 | H6 | 119.6° | 117.5° |
| C18 | C17 | H7 | 119.6° | 117.5° |
| C17 | C18 | H20 | 119.9° | 117.5° |
| C17 | C18 | H21 | 119.8° | 117.5° |
| C8 | C7 | C5 | 110.3° | 110.2° |
| C7 | C8 | C18 | 110.3° | 118.5° |
| C8 | C7 | H2 | 109.3° | 109.4° |
| C8 | C7 | H3 | 109.3° | 109.3° |
| C7 | C5 | C4 | 111.5° | 117.1° |
| C7 | C5 | C6 | 125.2° | 123.2° |
| C5 | C7 | H2 | 109.2° | 109.4° |
| C5 | C7 | H3 | 109.3° | 109.4° |
| C8 | C18 | H20 | 119.9° | 117.5° |
| C8 | C18 | H21 | 119.8° | 117.5° |
| C4 | C5 | C6 | 123.3° | 119.7° |
| C5 | C4 | C3 | 118.7° | 120.7° |
| C5 | C4 | H1 | 120.6° | 119.6° |
| C5 | C6 | C9 | 124.3° | 123.4° |
| C5 | C6 | C1 | 117.3° | 119.6° |
| C4 | C3 | O1 | 122.3° | 120.2° |
| C4 | C3 | C2 | 118.6° | 119.5° |
| C3 | C4 | H1 | 120.6° | 119.7° |
| C6 | C9 | C19 | 111.8° | 109.3° |
| C9 | C6 | C1 | 118.3° | 117.0° |
| C6 | C9 | H28 | 107.7° | 109.3° |
| C9 | C19 | C24 | 121.4° | 119.9° |
| C9 | C19 | C20 | 119.0° | 119.9° |
| C19 | C9 | H28 | 107.7° | 109.2° |
| C6 | C1 | C2 | 120.0° | 120.8° |
| C6 | C1 | H16 | 120.0° | 119.6° |
| O1 | C3 | C2 | 119.1° | 120.2° |
| C3 | O1 | H31 | 109.5° | 114.0° |
| C3 | C2 | C1 | 122.1° | 119.7° |
| C3 | C2 | H22 | 118.9° | 120.2° |
| C2 | C1 | H16 | 120.0° | 119.6° |
| C1 | C2 | H22 | 119.0° | 120.1° |
| C24 | C19 | C20 | 119.6° | 120.1° |
| C19 | C24 | C23 | 119.2° | 120.0° |
| C19 | C24 | H10 | 120.4° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C19 | C20 | H8 | 120.1° | 120.0° |
| C24 | C23 | C22 | 122.0° | 120.0° |
| C23 | C24 | H10 | 120.4° | 120.0° |
| C24 | C23 | H23 | 119.0° | 120.0° |
| C20 | C21 | C22 | 121.5° | 119.9° |
| C21 | C20 | H8 | 120.1° | 119.9° |
| C20 | C21 | H9 | 119.2° | 120.0° |
| C23 | C22 | C21 | 117.8° | 119.9° |
| C23 | C22 | O3 | 125.2° | 120.1° |
| C22 | C23 | H23 | 119.0° | 120.0° |
| C21 | C22 | O3 | 116.9° | 120.1° |
| C22 | C21 | H9 | 119.2° | 120.0° |
| C22 | O3 | C25 | 121.7° | 117.0° |
| O3 | C25 | C26 | 107.1° | 109.5° |
| O3 | C25 | H24 | 110.1° | 109.5° |
| O3 | C25 | H25 | 110.1° | 109.5° |
| C25 | C26 | N2 | 113.8° | 109.5° |
| C25 | C26 | H11 | 108.4° | 109.5° |
| C25 | C26 | H12 | 108.4° | 109.4° |
| C26 | C25 | H24 | 110.1° | 109.5° |
| C26 | C25 | H25 | 110.1° | 109.4° |
| C26 | N2 | C27 | 109.9° | 111.0° |
| N2 | C26 | H11 | 108.4° | 109.5° |
| N2 | C26 | H12 | 108.4° | 109.5° |
| C26 | N2 | H29 | 109.4° | 111.0° |
| N2 | C27 | C28 | 112.9° | 109.4° |
| N2 | C27 | H26 | 108.6° | 109.5° |
| N2 | C27 | H27 | 108.6° | 109.4° |
| C27 | N2 | H29 | 109.4° | 111.0° |
| C27 | C28 | H13 | 109.5° | 109.5° |
| C27 | C28 | H14 | 109.5° | 109.5° |
| C27 | C28 | H15 | 109.5° | 109.5° |
| C28 | C27 | H26 | 108.6° | 109.5° |
| C28 | C27 | H27 | 108.6° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.2° |
| H6 | C17 | H7 | 109.4° | 115.6° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H13 | C28 | H15 | 109.5° | 109.5° |
| H14 | C28 | H15 | 109.4° | 109.4° |
| H20 | C18 | H21 | 109.4° | 115.6° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H4 | 180.0° | 179.7° |
| C13 | C14 | C15 | H18 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 1.6° | 0.1° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H5 | 179.9° | 180.0° |
| C14 | C13 | C12 | H17 | 178.4° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C13 | C12 | C11 | H17 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 3.2° | 0.0° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C13 | C14 | H18 | 179.9° | 179.9° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 1.4° | 0.0° |
| C15 | C14 | C13 | H4 | 179.9° | 179.8° |
| C14 | C15 | C16 | H19 | 178.6° | 179.9° |
| C12 | C11 | C16 | C15 | 3.1° | 0.0° |
| C12 | C11 | C16 | C10 | 176.1° | 180.0° |
| C12 | C11 | C10 | O2 | 102.3° | 124.2° |
| C12 | C11 | C10 | N1 | 69.1° | 55.8° |
| C11 | C12 | C13 | H4 | 178.4° | 179.8° |
| C12 | C11 | C16 | H19 | 176.9° | 179.9° |
| C15 | C16 | C11 | H19 | 180.0° | 179.9° |
| C15 | C16 | C11 | C10 | 179.3° | 180.0° |
| C16 | C15 | C14 | H18 | 179.9° | 180.0° |
| C16 | C11 | C10 | O2 | 74.1° | 55.8° |
| C16 | C11 | C10 | N1 | 114.6° | 124.2° |
| C11 | C16 | C15 | H5 | 178.6° | 180.0° |
| C16 | C11 | C12 | H17 | 176.9° | 180.0° |
| C11 | C10 | O2 | N1 | 171.8° | 180.0° |
| C11 | C10 | N1 | C8 | 7.2° | 175.0° |
| C11 | C10 | N1 | C9 | 173.6° | 4.7° |
| C10 | C11 | C12 | H17 | 0.3° | 0.0° |
| C10 | C11 | C16 | H19 | 0.7° | 0.1° |
| O2 | C10 | N1 | C8 | 178.8° | 5.1° |
| O2 | C10 | N1 | C9 | 2.0° | 175.3° |
| C10 | N1 | C8 | C9 | 179.2° | 179.7° |
| C10 | N1 | C8 | C17 | 23.9° | 23.2° |
| C10 | N1 | C8 | C7 | 133.1° | 122.3° |
| C10 | N1 | C8 | C18 | 94.8° | 92.5° |
| C10 | N1 | C9 | C6 | 139.9° | 138.3° |
| C10 | N1 | C9 | C19 | 95.5° | 101.4° |
| C10 | N1 | C9 | H28 | 23.0° | 18.0° |
| N1 | C8 | C17 | C7 | 157.4° | 143.7° |
| N1 | C8 | C17 | C18 | 100.9° | 108.0° |
| N1 | C8 | C7 | C18 | 136.7° | 145.0° |
| N1 | C8 | C7 | C5 | 27.1° | 40.9° |
| C8 | N1 | C9 | C6 | 40.9° | 41.4° |
| C8 | N1 | C9 | C19 | 83.7° | 78.9° |
| N1 | C8 | C7 | H2 | 93.0° | 161.2° |
| N1 | C8 | C7 | H3 | 147.2° | 79.3° |
| N1 | C8 | C17 | H6 | 148.9° | 144.6° |
| N1 | C8 | C17 | H7 | 9.2° | 0.5° |
| N1 | C8 | C18 | H20 | 124.4° | 0.6° |
| N1 | C8 | C18 | H21 | 16.1° | 144.5° |
| C8 | N1 | C9 | H28 | 157.8° | 161.7° |
| C9 | N1 | C8 | C17 | 155.2° | 157.1° |
| C9 | N1 | C8 | C7 | 47.8° | 57.4° |
| C9 | N1 | C8 | C18 | 84.3° | 87.8° |
| N1 | C9 | C6 | C5 | 16.0° | 14.6° |
| N1 | C9 | C6 | C19 | 124.8° | 120.3° |
| N1 | C9 | C6 | H28 | 117.1° | 120.3° |
| N1 | C9 | C19 | H28 | 118.6° | 119.5° |
| N1 | C9 | C6 | C1 | 166.3° | 166.4° |
| N1 | C9 | C19 | C24 | 93.8° | 60.3° |
| N1 | C9 | C19 | C20 | 88.0° | 120.2° |
| C8 | C17 | C18 | H6 | 110.2° | 107.5° |
| C8 | C17 | C18 | H7 | 110.2° | 107.5° |
| C17 | C8 | C7 | C18 | 60.6° | 69.8° |
| C17 | C8 | C7 | C5 | 170.2° | 173.9° |
| C17 | C8 | C7 | H2 | 69.7° | 53.6° |
| C17 | C8 | C7 | H3 | 50.1° | 65.9° |
| C8 | C17 | H6 | H7 | 143.4° | 145.8° |
| C8 | C17 | C18 | H20 | 109.8° | 107.5° |
| C8 | C17 | C18 | H21 | 109.7° | 107.4° |
| C18 | C17 | H6 | H7 | 143.3° | 145.7° |
| C17 | C18 | H20 | H21 | 144.2° | 145.8° |
| C8 | C7 | C5 | H2 | 120.1° | 120.3° |
| C8 | C7 | C5 | H3 | 120.1° | 120.2° |
| C8 | C7 | C5 | C4 | 172.9° | 165.0° |
| C8 | C7 | C5 | C6 | 7.6° | 16.0° |
| C8 | C7 | H2 | H3 | 119.6° | 119.6° |
| C7 | C8 | C17 | H6 | 8.5° | 0.9° |
| C7 | C8 | C17 | H7 | 148.2° | 144.2° |
| C7 | C8 | C18 | H20 | 8.6° | 144.1° |
| C7 | C8 | C18 | H21 | 149.2° | 1.1° |
| C5 | C7 | C8 | C18 | 109.6° | 104.1° |
| C7 | C5 | C4 | C6 | 179.5° | 179.0° |
| C7 | C5 | C4 | C3 | 179.7° | 178.2° |
| C7 | C5 | C6 | C9 | 2.6° | 3.4° |
| C7 | C5 | C6 | C1 | 179.7° | 177.7° |
| C7 | C5 | C4 | H1 | 0.3° | 1.9° |
| C5 | C7 | H2 | H3 | 119.6° | 119.7° |
| C18 | C8 | C7 | H2 | 130.3° | 16.2° |
| C18 | C8 | C7 | H3 | 10.5° | 135.7° |
| C8 | C18 | H20 | H21 | 144.2° | 145.8° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C9 | 178.0° | 177.7° |
| C4 | C5 | C6 | C1 | 0.3° | 1.3° |
| C5 | C4 | C3 | O1 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.9° | 0.1° |
| C4 | C5 | C7 | H2 | 67.0° | 44.7° |
| C4 | C5 | C7 | H3 | 52.7° | 74.8° |
| C6 | C5 | C4 | C3 | 0.2° | 0.8° |
| C5 | C6 | C9 | C1 | 177.7° | 178.9° |
| C5 | C6 | C9 | C19 | 108.8° | 105.7° |
| C5 | C6 | C1 | C2 | 1.3° | 0.9° |
| C6 | C5 | C4 | H1 | 179.8° | 179.1° |
| C6 | C5 | C7 | H2 | 112.5° | 136.3° |
| C6 | C5 | C7 | H3 | 127.8° | 104.2° |
| C5 | C6 | C1 | H16 | 178.7° | 179.1° |
| C5 | C6 | C9 | H28 | 133.1° | 134.9° |
| C4 | C3 | O1 | C2 | 179.4° | 179.9° |
| C4 | C3 | C2 | C1 | 1.9° | 0.5° |
| C4 | C3 | C2 | H22 | 178.1° | 179.5° |
| C4 | C3 | O1 | H31 | 180.0° | 90.1° |
| C6 | C9 | C19 | H28 | 118.1° | 119.5° |
| C9 | C6 | C1 | C2 | 179.1° | 178.1° |
| C6 | C9 | C19 | C24 | 142.9° | 60.7° |
| C6 | C9 | C19 | C20 | 35.3° | 118.8° |
| C9 | C6 | C1 | H16 | 0.8° | 1.9° |
| C19 | C9 | C6 | C1 | 68.9° | 73.3° |
| C9 | C19 | C24 | C20 | 178.1° | 179.5° |
| C9 | C19 | C24 | C23 | 179.4° | 180.0° |
| C9 | C19 | C20 | C21 | 179.6° | 179.4° |
| C9 | C19 | C20 | H8 | 0.4° | 0.2° |
| C9 | C19 | C24 | H10 | 0.6° | 0.8° |
| C6 | C1 | C2 | C3 | 2.1° | 0.0° |
| C6 | C1 | C2 | H16 | 180.0° | 180.0° |
| C6 | C1 | C2 | H22 | 178.0° | 180.0° |
| C1 | C6 | C9 | H28 | 49.2° | 46.2° |
| O1 | C3 | C2 | C1 | 178.7° | 179.6° |
| O1 | C3 | C4 | H1 | 0.3° | 0.1° |
| O1 | C3 | C2 | H22 | 1.3° | 0.4° |
| C3 | C2 | C1 | H22 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 179.1° | 180.0° |
| C3 | C2 | C1 | H16 | 177.9° | 180.0° |
| C2 | C3 | O1 | H31 | 0.7° | 90.1° |
| C19 | C24 | C23 | H10 | 180.0° | 179.3° |
| C24 | C19 | C20 | C21 | 1.5° | 0.1° |
| C19 | C24 | C23 | C22 | 0.8° | 0.7° |
| C24 | C19 | C20 | H8 | 178.5° | 179.7° |
| C19 | C24 | C23 | H23 | 179.2° | 180.0° |
| C24 | C19 | C9 | H28 | 24.8° | 179.8° |
| C20 | C19 | C24 | C23 | 1.3° | 0.5° |
| C19 | C20 | C21 | H8 | 180.0° | 179.6° |
| C19 | C20 | C21 | C22 | 1.4° | 0.3° |
| C19 | C20 | C21 | H9 | 178.5° | 179.8° |
| C20 | C19 | C24 | H10 | 178.7° | 179.7° |
| C20 | C19 | C9 | H28 | 153.4° | 0.7° |
| C24 | C23 | C22 | H23 | 180.0° | 179.3° |
| C24 | C23 | C22 | C21 | 0.7° | 0.5° |
| C24 | C23 | C22 | O3 | 177.9° | 179.5° |
| C20 | C21 | C22 | C23 | 1.0° | 0.1° |
| C20 | C21 | C22 | H9 | 180.0° | 179.9° |
| C20 | C21 | C22 | O3 | 178.4° | 180.0° |
| C23 | C22 | C21 | O3 | 177.4° | 180.0° |
| C23 | C22 | O3 | C25 | 43.1° | 0.0° |
| C23 | C22 | C21 | H9 | 179.0° | 180.0° |
| C22 | C23 | C24 | H10 | 179.2° | 180.0° |
| C21 | C22 | O3 | C25 | 139.7° | 180.0° |
| C22 | C21 | C20 | H8 | 178.6° | 180.0° |
| C21 | C22 | C23 | H23 | 179.3° | 179.7° |
| C22 | O3 | C25 | C26 | 89.2° | 180.0° |
| O3 | C22 | C21 | H9 | 1.6° | 0.1° |
| O3 | C22 | C23 | H23 | 2.1° | 0.3° |
| C22 | O3 | C25 | H24 | 151.1° | 59.9° |
| C22 | O3 | C25 | H25 | 30.4° | 60.0° |
| O3 | C25 | C26 | H24 | 119.6° | 120.1° |
| O3 | C25 | C26 | H25 | 119.7° | 120.0° |
| O3 | C25 | C26 | N2 | 97.1° | 65.0° |
| O3 | C25 | C26 | H11 | 142.3° | 175.0° |
| O3 | C25 | C26 | H12 | 23.5° | 55.1° |
| O3 | C25 | H24 | H25 | 121.1° | 120.0° |
| C25 | C26 | N2 | H11 | 120.7° | 120.1° |
| C25 | C26 | N2 | H12 | 120.6° | 120.0° |
| C25 | C26 | N2 | C27 | 91.9° | 180.0° |
| C25 | C26 | H11 | H12 | 118.0° | 119.9° |
| C26 | C25 | H24 | H25 | 121.1° | 119.9° |
| C25 | C26 | N2 | H29 | 28.2° | 56.1° |
| C26 | N2 | C27 | H29 | 120.1° | 123.9° |
| C26 | N2 | C27 | C28 | 75.2° | 180.0° |
| N2 | C26 | H11 | H12 | 118.0° | 120.0° |
| N2 | C26 | C25 | H24 | 22.5° | 175.0° |
| N2 | C26 | C25 | H25 | 143.2° | 55.0° |
| C26 | N2 | C27 | H26 | 45.3° | 60.0° |
| C26 | N2 | C27 | H27 | 164.3° | 60.0° |
| N2 | C27 | C28 | H26 | 120.5° | 120.0° |
| N2 | C27 | C28 | H27 | 120.5° | 119.9° |
| C27 | N2 | C26 | H11 | 147.5° | 60.0° |
| C27 | N2 | C26 | H12 | 28.8° | 60.0° |
| N2 | C27 | C28 | H13 | 180.0° | 60.0° |
| N2 | C27 | C28 | H14 | 60.0° | 60.0° |
| N2 | C27 | C28 | H15 | 60.0° | 179.9° |
| N2 | C27 | H26 | H27 | 118.4° | 120.0° |
| C27 | C28 | H13 | H14 | 120.0° | 120.0° |
| C27 | C28 | H13 | H15 | 120.0° | 120.0° |
| C27 | C28 | H14 | H15 | 120.0° | 120.0° |
| C28 | C27 | H26 | H27 | 118.4° | 120.1° |
| C28 | C27 | N2 | H29 | 164.7° | 56.1° |
| H4 | C13 | C12 | H17 | 1.6° | 0.3° |
| H4 | C13 | C14 | H18 | 0.1° | 0.3° |
| H5 | C15 | C14 | H18 | 0.1° | 0.0° |
| H5 | C15 | C16 | H19 | 1.4° | 0.0° |
| H6 | C17 | C18 | H20 | 0.4° | 145.1° |
| H6 | C17 | C18 | H21 | 140.1° | 0.0° |
| H7 | C17 | C18 | H20 | 140.1° | 0.0° |
| H7 | C17 | C18 | H21 | 0.5° | 145.1° |
| H8 | C20 | C21 | H9 | 1.4° | 0.1° |
| H10 | C24 | C23 | H23 | 0.8° | 0.7° |
| H11 | C26 | C25 | H24 | 98.1° | 54.9° |
| H11 | C26 | C25 | H25 | 22.6° | 65.0° |
| H11 | C26 | N2 | H29 | 92.4° | 176.1° |
| H12 | C26 | C25 | H24 | 143.1° | 65.0° |
| H12 | C26 | C25 | H25 | 96.1° | 175.1° |
| H12 | C26 | N2 | H29 | 148.8° | 64.0° |
| H13 | C28 | H14 | H15 | 120.0° | 120.0° |
| H13 | C28 | C27 | H26 | 59.5° | 60.0° |
| H13 | C28 | C27 | H27 | 59.5° | 180.0° |
| H14 | C28 | C27 | H26 | 179.5° | 180.0° |
| H14 | C28 | C27 | H27 | 60.5° | 59.9° |
| H15 | C28 | C27 | H26 | 60.5° | 60.0° |
| H15 | C28 | C27 | H27 | 179.5° | 60.0° |
| H16 | C1 | C2 | H22 | 2.1° | 0.0° |
| H26 | C27 | N2 | H29 | 74.8° | 63.9° |
| H27 | C27 | N2 | H29 | 44.2° | 176.1° |
