TQF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C8 | sing | 1.47Å | 1.51Å | |
| N1 | C10 | sing | 1.35Å | 1.50Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | doub | 1.39Å | 1.55Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.31Å | Aromatic |
| C5 | C7 | sing | 1.50Å | 1.52Å | |
| C6 | C1 | doub | 1.39Å | 1.55Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C17 | sing | 1.53Å | 1.56Å | |
| C8 | C18 | sing | 1.52Å | 1.57Å | |
| C10 | C11 | sing | 1.48Å | 1.56Å | |
| C10 | O1 | doub | 1.22Å | 1.19Å | |
| C13 | C12 | doub | 1.38Å | 1.54Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.33Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.53Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.32Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C20 | C21 | doub | 1.38Å | 1.54Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.33Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.33Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.55Å | Aromatic |
| C22 | O3 | sing | 1.36Å | 1.43Å | |
| C24 | C19 | doub | 1.38Å | 1.54Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.34Å | Aromatic |
| C26 | C25 | sing | 1.54Å | 1.41Å | |
| C26 | N2 | sing | 1.48Å | 1.41Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | N2 | sing | 1.47Å | 1.14Å | |
| C1 | C2 | sing | 1.38Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.32Å | Aromatic |
| C11 | C16 | doub | 1.40Å | 1.54Å | Aromatic |
| C19 | C9 | sing | 1.51Å | 1.55Å | |
| C2 | C3 | doub | 1.39Å | 1.52Å | Aromatic |
| C25 | C27 | sing | 1.54Å | 1.41Å | |
| C25 | O3 | sing | 1.43Å | 1.50Å | |
| C27 | N2 | sing | 1.48Å | 1.41Å | |
| C3 | O2 | sing | 1.36Å | 1.41Å | |
| 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 | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| O2 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N1 | C10 | 123.0° | 121.7° |
| C8 | N1 | C9 | 119.2° | 116.6° |
| N1 | C8 | C7 | 109.5° | 113.5° |
| N1 | C8 | C17 | 136.2° | 118.0° |
| N1 | C8 | C18 | 123.1° | 118.0° |
| C10 | N1 | C9 | 117.8° | 121.7° |
| N1 | C10 | C11 | 121.9° | 120.0° |
| N1 | C10 | O1 | 118.9° | 120.0° |
| N1 | C9 | C6 | 111.4° | 110.4° |
| N1 | C9 | C19 | 114.9° | 109.3° |
| N1 | C9 | H29 | 106.3° | 109.3° |
| C5 | C4 | C3 | 120.6° | 120.6° |
| C4 | C5 | C6 | 119.5° | 119.8° |
| C4 | C5 | C7 | 117.0° | 117.0° |
| C5 | C4 | H1 | 119.7° | 119.7° |
| C4 | C3 | C2 | 119.9° | 119.5° |
| C4 | C3 | O2 | 120.1° | 120.2° |
| C3 | C4 | H1 | 119.7° | 119.6° |
| C6 | C5 | C7 | 123.5° | 123.2° |
| C5 | C6 | C1 | 119.6° | 119.5° |
| C5 | C6 | C9 | 124.1° | 123.5° |
| C5 | C7 | C8 | 114.0° | 110.4° |
| C5 | C7 | H2 | 108.4° | 109.4° |
| C5 | C7 | H3 | 108.3° | 109.4° |
| C1 | C6 | C9 | 116.3° | 116.9° |
| C6 | C1 | C2 | 120.7° | 120.8° |
| C6 | C1 | H15 | 119.7° | 119.6° |
| C6 | C9 | C19 | 112.1° | 109.4° |
| C6 | C9 | H29 | 105.8° | 109.3° |
| C7 | C8 | C17 | 110.6° | 118.6° |
| C7 | C8 | C18 | 109.1° | 118.6° |
| C8 | C7 | H2 | 108.3° | 109.6° |
| C8 | C7 | H3 | 108.3° | 108.9° |
| C17 | C8 | C18 | 56.8° | 60.3° |
| C8 | C17 | C18 | 61.7° | 59.9° |
| C8 | C17 | H6 | 119.7° | 117.5° |
| C8 | C17 | H7 | 119.7° | 117.6° |
| C8 | C18 | C17 | 61.4° | 59.9° |
| C8 | C18 | H19 | 119.7° | 117.5° |
| C8 | C18 | H20 | 119.8° | 117.5° |
| C11 | C10 | O1 | 119.2° | 120.0° |
| C10 | C11 | C12 | 123.0° | 120.1° |
| C10 | C11 | C16 | 116.6° | 120.2° |
| C12 | C13 | C14 | 120.4° | 120.1° |
| C13 | C12 | C11 | 119.0° | 119.9° |
| C12 | C13 | H4 | 119.8° | 120.0° |
| C13 | C12 | H16 | 120.5° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.3° |
| C14 | C13 | H4 | 119.8° | 119.9° |
| C13 | C14 | H17 | 119.8° | 119.8° |
| C14 | C15 | C16 | 119.3° | 120.1° |
| C14 | C15 | H5 | 120.4° | 120.0° |
| C15 | C14 | H17 | 119.9° | 119.8° |
| C15 | C16 | C11 | 120.5° | 119.9° |
| C16 | C15 | H5 | 120.3° | 119.9° |
| C15 | C16 | H18 | 119.8° | 120.1° |
| C18 | C17 | H6 | 119.7° | 117.5° |
| C18 | C17 | H7 | 119.7° | 117.6° |
| C17 | C18 | H19 | 119.8° | 117.4° |
| C17 | C18 | H20 | 119.8° | 117.5° |
| C21 | C20 | C19 | 120.3° | 120.0° |
| C20 | C21 | C22 | 120.3° | 120.0° |
| C21 | C20 | H8 | 119.9° | 120.0° |
| C20 | C21 | H9 | 119.8° | 120.0° |
| C20 | C19 | C24 | 119.9° | 120.1° |
| C20 | C19 | C9 | 117.3° | 120.0° |
| C19 | C20 | H8 | 119.8° | 120.0° |
| C21 | C22 | C23 | 119.7° | 119.9° |
| C21 | C22 | O3 | 117.1° | 120.0° |
| C22 | C21 | H9 | 119.9° | 120.1° |
| C23 | C22 | O3 | 123.2° | 120.1° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C22 | C23 | H22 | 119.9° | 120.0° |
| C22 | O3 | C25 | 114.9° | 117.0° |
| C19 | C24 | C23 | 119.7° | 120.0° |
| C24 | C19 | C9 | 122.8° | 119.9° |
| C19 | C24 | H10 | 120.1° | 120.0° |
| C23 | C24 | H10 | 120.1° | 120.0° |
| C24 | C23 | H22 | 119.9° | 120.0° |
| C25 | C26 | N2 | 81.2° | 86.2° |
| C26 | C25 | C27 | 98.8° | 86.4° |
| C26 | C25 | O3 | 113.5° | 113.7° |
| C25 | C26 | H11 | 116.0° | 113.8° |
| C25 | C26 | H12 | 116.0° | 113.7° |
| C26 | C25 | H23 | 112.4° | 113.8° |
| C26 | N2 | C28 | 111.5° | 111.0° |
| C26 | N2 | C27 | 98.4° | 90.8° |
| N2 | C26 | H11 | 116.0° | 113.8° |
| N2 | C26 | H12 | 116.0° | 113.8° |
| C29 | C28 | N2 | 109.2° | 109.4° |
| C29 | C28 | H13 | 109.6° | 109.5° |
| C29 | C28 | H14 | 109.5° | 109.5° |
| C28 | C29 | H26 | 109.5° | 109.5° |
| C28 | C29 | H27 | 109.5° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.4° |
| C28 | N2 | C27 | 109.6° | 111.0° |
| N2 | C28 | H13 | 109.5° | 109.5° |
| N2 | C28 | H14 | 109.6° | 109.5° |
| C1 | C2 | C3 | 119.8° | 119.7° |
| C2 | C1 | H15 | 119.6° | 119.6° |
| C1 | C2 | H21 | 120.1° | 120.1° |
| C12 | C11 | C16 | 120.4° | 119.7° |
| C11 | C12 | H16 | 120.5° | 120.1° |
| C11 | C16 | H18 | 119.7° | 120.1° |
| C19 | C9 | H29 | 105.6° | 109.1° |
| C2 | C3 | O2 | 120.0° | 120.2° |
| C3 | C2 | H21 | 120.1° | 120.2° |
| C27 | C25 | O3 | 108.2° | 113.7° |
| C25 | C27 | N2 | 81.3° | 86.2° |
| C27 | C25 | H23 | 112.4° | 113.7° |
| C25 | C27 | H24 | 115.9° | 113.7° |
| C25 | C27 | H25 | 116.0° | 113.8° |
| O3 | C25 | H23 | 111.0° | 113.0° |
| N2 | C27 | H24 | 116.0° | 113.7° |
| N2 | C27 | H25 | 116.0° | 113.8° |
| C3 | O2 | H31 | 109.5° | 114.0° |
| H2 | C7 | H3 | 109.5° | 109.2° |
| H6 | C17 | H7 | 109.5° | 115.5° |
| H11 | C26 | H12 | 109.4° | 113.0° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 115.6° |
| H24 | C27 | H25 | 109.5° | 113.1° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H28 | 109.5° | 109.4° |
| H27 | C29 | H28 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N1 | C10 | C9 | 177.8° | 179.7° |
| N1 | C8 | C7 | C5 | 36.8° | 40.6° |
| C8 | N1 | C9 | C6 | 37.3° | 41.4° |
| N1 | C8 | C7 | C17 | 161.9° | 145.2° |
| N1 | C8 | C7 | C18 | 137.4° | 145.1° |
| N1 | C8 | C17 | C18 | 105.1° | 108.0° |
| C8 | N1 | C10 | C11 | 0.4° | 173.7° |
| C8 | N1 | C10 | O1 | 178.8° | 6.2° |
| C8 | N1 | C9 | C19 | 91.6° | 79.0° |
| N1 | C8 | C7 | H2 | 157.5° | 161.1° |
| N1 | C8 | C7 | H3 | 83.9° | 79.5° |
| N1 | C8 | C17 | H6 | 144.9° | 144.6° |
| N1 | C8 | C17 | H7 | 4.8° | 0.5° |
| N1 | C8 | C18 | H19 | 17.2° | 0.6° |
| N1 | C8 | C18 | H20 | 123.1° | 144.6° |
| C8 | N1 | C9 | H29 | 152.0° | 161.7° |
| C10 | N1 | C9 | C6 | 140.6° | 138.3° |
| C10 | N1 | C8 | C7 | 126.5° | 122.5° |
| C10 | N1 | C8 | C17 | 28.6° | 22.9° |
| C10 | N1 | C8 | C18 | 103.3° | 92.2° |
| N1 | C10 | C11 | O1 | 178.3° | 180.0° |
| N1 | C10 | C11 | C12 | 110.3° | 124.0° |
| N1 | C10 | C11 | C16 | 70.7° | 56.0° |
| C10 | N1 | C9 | C19 | 90.5° | 101.3° |
| C10 | N1 | C9 | H29 | 25.9° | 18.0° |
| N1 | C9 | C6 | C5 | 9.7° | 14.6° |
| N1 | C9 | C6 | C1 | 169.2° | 166.2° |
| N1 | C9 | C6 | C19 | 130.4° | 120.3° |
| N1 | C9 | C6 | H29 | 115.1° | 120.3° |
| C9 | N1 | C8 | C7 | 51.3° | 57.2° |
| C9 | N1 | C8 | C17 | 153.6° | 157.4° |
| C9 | N1 | C8 | C18 | 78.9° | 88.1° |
| C9 | N1 | C10 | C11 | 177.4° | 6.0° |
| C9 | N1 | C10 | O1 | 1.0° | 174.1° |
| N1 | C9 | C19 | C20 | 93.5° | 122.2° |
| N1 | C9 | C19 | C24 | 88.0° | 57.9° |
| N1 | C9 | C19 | H29 | 116.8° | 119.4° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.8° | 179.0° |
| C4 | C5 | C6 | C1 | 0.5° | 1.3° |
| C4 | C5 | C6 | C9 | 179.4° | 177.9° |
| C4 | C5 | C7 | C8 | 165.9° | 165.3° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | O2 | 179.9° | 180.0° |
| C4 | C5 | C7 | H2 | 45.2° | 44.7° |
| C4 | C5 | C7 | H3 | 73.4° | 74.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.9° |
| C3 | C4 | C5 | C7 | 179.9° | 178.2° |
| C4 | C3 | C2 | C1 | 0.1° | 0.4° |
| C4 | C3 | C2 | O2 | 179.9° | 180.0° |
| C4 | C3 | C2 | H21 | 179.9° | 179.6° |
| C4 | C3 | O2 | H31 | 180.0° | 90.0° |
| C5 | C6 | C1 | C9 | 178.9° | 179.2° |
| C6 | C5 | C7 | C8 | 13.9° | 15.7° |
| C5 | C6 | C1 | C2 | 0.6° | 0.9° |
| C5 | C6 | C9 | C19 | 120.7° | 105.7° |
| C6 | C5 | C4 | H1 | 179.9° | 179.2° |
| C6 | C5 | C7 | H2 | 134.5° | 136.3° |
| C6 | C5 | C7 | H3 | 106.8° | 104.1° |
| C5 | C6 | C1 | H15 | 179.4° | 179.1° |
| C5 | C6 | C9 | H29 | 124.8° | 134.9° |
| C7 | C5 | C6 | C1 | 179.7° | 177.7° |
| C7 | C5 | C6 | C9 | 0.9° | 3.1° |
| C5 | C7 | C8 | H2 | 120.7° | 120.5° |
| C5 | C7 | C8 | H3 | 120.7° | 120.1° |
| C5 | C7 | C8 | C17 | 161.4° | 174.2° |
| C5 | C7 | C8 | C18 | 100.6° | 104.5° |
| C7 | C5 | C4 | H1 | 0.1° | 1.7° |
| C5 | C7 | H2 | H3 | 118.0° | 119.7° |
| C6 | C1 | C2 | H15 | 180.0° | 180.0° |
| C1 | C6 | C9 | C19 | 60.4° | 73.5° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C6 | C1 | C2 | H21 | 179.7° | 180.0° |
| C1 | C6 | C9 | H29 | 54.1° | 45.9° |
| C6 | C9 | C19 | C20 | 138.0° | 116.8° |
| C6 | C9 | C19 | C24 | 40.6° | 63.2° |
| C9 | C6 | C1 | C2 | 179.5° | 178.3° |
| C6 | C9 | C19 | H29 | 114.7° | 119.6° |
| C9 | C6 | C1 | H15 | 0.5° | 1.6° |
| C7 | C8 | C17 | C18 | 99.9° | 108.4° |
| C8 | C7 | H2 | H3 | 117.9° | 119.2° |
| C7 | C8 | C17 | H6 | 10.0° | 1.0° |
| C7 | C8 | C17 | H7 | 150.2° | 144.1° |
| C7 | C8 | C18 | H19 | 147.5° | 144.2° |
| C7 | C8 | C18 | H20 | 7.3° | 1.0° |
| C8 | C17 | C18 | H6 | 110.0° | 107.4° |
| C8 | C17 | C18 | H7 | 109.9° | 107.5° |
| C17 | C8 | C7 | H2 | 40.6° | 53.7° |
| C17 | C8 | C7 | H3 | 78.0° | 65.7° |
| C8 | C17 | H6 | H7 | 143.8° | 145.8° |
| C17 | C8 | C18 | H19 | 109.9° | 107.4° |
| C17 | C8 | C18 | H20 | 109.9° | 107.5° |
| C18 | C8 | C7 | H2 | 20.1° | 16.0° |
| C18 | C8 | C7 | H3 | 138.7° | 135.4° |
| C8 | C18 | H19 | H20 | 144.0° | 145.9° |
| C10 | C11 | C12 | C13 | 179.6° | 180.0° |
| C10 | C11 | C16 | C15 | 179.7° | 180.0° |
| C10 | C11 | C12 | C16 | 178.9° | 180.0° |
| C10 | C11 | C12 | H16 | 0.5° | 0.1° |
| C10 | C11 | C16 | H18 | 0.3° | 0.0° |
| O1 | C10 | C11 | C12 | 71.4° | 55.9° |
| O1 | C10 | C11 | C16 | 107.6° | 124.0° |
| C12 | C13 | C14 | H4 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | H16 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 0.6° | 0.0° |
| C12 | C13 | C14 | H17 | 179.8° | 179.9° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C13 | C14 | C15 | H5 | 179.7° | 179.9° |
| C14 | C13 | C12 | H16 | 179.6° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.5° | 0.0° |
| C15 | C14 | C13 | H4 | 179.8° | 179.7° |
| C14 | C15 | C16 | H18 | 179.5° | 180.0° |
| C15 | C16 | C11 | C12 | 0.7° | 0.0° |
| C15 | C16 | C11 | H18 | 180.0° | 180.0° |
| C16 | C15 | C14 | H17 | 179.7° | 179.9° |
| C18 | C17 | H6 | H7 | 143.8° | 145.8° |
| C17 | C18 | H19 | H20 | 144.0° | 145.7° |
| C21 | C20 | C19 | H8 | 180.0° | 179.6° |
| C20 | C21 | C22 | H9 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | O3 | 180.0° | 180.0° |
| C21 | C20 | C19 | C24 | 0.8° | 0.0° |
| C21 | C20 | C19 | C9 | 179.4° | 179.9° |
| C19 | C20 | C21 | C22 | 0.6° | 0.1° |
| C20 | C19 | C24 | C9 | 178.5° | 179.9° |
| C20 | C19 | C24 | C23 | 0.8° | 0.0° |
| C19 | C20 | C21 | H9 | 179.4° | 180.0° |
| C20 | C19 | C24 | H10 | 179.2° | 180.0° |
| C20 | C19 | C9 | H29 | 23.3° | 2.8° |
| C21 | C22 | C23 | O3 | 179.6° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C21 | C22 | O3 | C25 | 168.6° | 5.6° |
| C22 | C21 | C20 | H8 | 179.4° | 179.7° |
| C21 | C22 | C23 | H22 | 179.6° | 180.0° |
| C22 | C23 | C24 | C19 | 0.6° | 0.0° |
| C22 | C23 | C24 | H22 | 180.0° | 180.0° |
| C23 | C22 | O3 | C25 | 11.8° | 174.4° |
| C23 | C22 | C21 | H9 | 179.7° | 180.0° |
| C22 | C23 | C24 | H10 | 179.4° | 180.0° |
| O3 | C22 | C23 | C24 | 179.9° | 180.0° |
| C22 | O3 | C25 | C26 | 71.1° | 158.4° |
| C22 | O3 | C25 | C27 | 179.7° | 104.8° |
| O3 | C22 | C21 | H9 | 0.0° | 0.0° |
| O3 | C22 | C23 | H22 | 0.1° | 0.0° |
| C22 | O3 | C25 | H23 | 56.6° | 26.7° |
| C19 | C24 | C23 | H10 | 180.0° | 180.0° |
| C24 | C19 | C20 | H8 | 179.2° | 179.7° |
| C19 | C24 | C23 | H22 | 179.4° | 180.0° |
| C24 | C19 | C9 | H29 | 155.2° | 177.3° |
| C23 | C24 | C19 | C9 | 179.3° | 180.0° |
| C25 | C26 | N2 | H11 | 114.7° | 114.3° |
| C25 | C26 | N2 | H12 | 114.7° | 114.3° |
| C25 | C26 | N2 | C28 | 111.0° | 137.6° |
| C26 | C25 | C27 | O3 | 118.4° | 114.4° |
| C26 | C25 | C27 | H23 | 118.7° | 114.4° |
| C26 | C25 | O3 | H23 | 127.7° | 131.7° |
| C25 | C26 | N2 | C27 | 4.0° | 24.7° |
| C25 | C26 | H11 | H12 | 133.6° | 131.6° |
| C26 | C25 | C27 | H24 | 118.7° | 90.5° |
| C26 | C25 | C27 | H25 | 110.7° | 138.0° |
| C26 | N2 | C28 | C29 | 178.6° | 170.0° |
| C26 | N2 | C28 | C27 | 107.9° | 99.4° |
| N2 | C26 | C25 | O3 | 118.4° | 90.6° |
| N2 | C26 | H11 | H12 | 133.6° | 131.8° |
| C26 | N2 | C28 | H13 | 61.5° | 70.0° |
| C26 | N2 | C28 | H14 | 58.6° | 50.0° |
| N2 | C26 | C25 | H23 | 114.7° | 138.1° |
| C26 | N2 | C27 | H24 | 118.7° | 89.6° |
| C26 | N2 | C27 | H25 | 110.7° | 139.0° |
| C29 | C28 | N2 | H13 | 120.0° | 119.9° |
| C29 | C28 | N2 | H14 | 120.0° | 120.0° |
| C29 | C28 | N2 | C27 | 73.6° | 90.6° |
| C29 | C28 | H13 | H14 | 120.1° | 120.1° |
| C28 | C29 | H26 | H27 | 120.0° | 120.1° |
| C28 | C29 | H26 | H28 | 120.0° | 119.9° |
| C28 | C29 | H27 | H28 | 120.0° | 120.0° |
| C28 | N2 | C27 | C25 | 112.4° | 137.6° |
| C28 | N2 | C26 | H11 | 134.3° | 108.1° |
| C28 | N2 | C26 | H12 | 3.8° | 23.3° |
| N2 | C28 | H13 | H14 | 120.1° | 120.0° |
| C28 | N2 | C27 | H24 | 2.3° | 23.3° |
| C28 | N2 | C27 | H25 | 132.8° | 108.1° |
| N2 | C28 | C29 | H26 | 180.0° | 60.0° |
| N2 | C28 | C29 | H27 | 60.0° | 60.0° |
| N2 | C28 | C29 | H28 | 60.0° | 180.0° |
| C1 | C2 | C3 | H21 | 180.0° | 180.0° |
| C1 | C2 | C3 | O2 | 180.0° | 179.6° |
| C11 | C12 | C13 | H4 | 179.6° | 179.7° |
| C12 | C11 | C16 | H18 | 179.3° | 180.0° |
| C11 | C16 | C15 | H5 | 179.5° | 179.9° |
| C16 | C11 | C12 | H16 | 179.4° | 180.0° |
| C9 | C19 | C20 | H8 | 0.6° | 0.3° |
| C9 | C19 | C24 | H10 | 0.7° | 0.1° |
| C2 | C3 | C4 | H1 | 179.8° | 179.9° |
| C3 | C2 | C1 | H15 | 179.7° | 180.0° |
| C2 | C3 | O2 | H31 | 0.1° | 90.0° |
| C27 | C25 | O3 | H23 | 123.7° | 131.6° |
| C25 | C27 | N2 | H24 | 114.7° | 114.3° |
| C25 | C27 | N2 | H25 | 114.7° | 114.3° |
| C27 | C25 | C26 | H11 | 110.7° | 138.1° |
| C27 | C25 | C26 | H12 | 118.7° | 90.7° |
| C25 | C27 | H24 | H25 | 133.5° | 131.8° |
| O3 | C25 | C27 | N2 | 122.4° | 90.7° |
| O3 | C25 | C26 | H11 | 3.6° | 23.7° |
| O3 | C25 | C26 | H12 | 126.9° | 155.0° |
| O3 | C25 | C27 | H24 | 122.8° | 155.1° |
| O3 | C25 | C27 | H25 | 7.7° | 23.7° |
| C27 | N2 | C26 | H11 | 110.7° | 139.0° |
| C27 | N2 | C26 | H12 | 118.7° | 89.6° |
| C27 | N2 | C28 | H13 | 46.4° | 29.4° |
| C27 | N2 | C28 | H14 | 166.5° | 149.4° |
| N2 | C27 | C25 | H23 | 114.7° | 138.1° |
| N2 | C27 | H24 | H25 | 133.6° | 131.7° |
| O2 | C3 | C4 | H1 | 0.1° | 0.1° |
| O2 | C3 | C2 | H21 | 0.0° | 0.4° |
| H4 | C13 | C12 | H16 | 0.4° | 0.3° |
| H4 | C13 | C14 | H17 | 0.2° | 0.2° |
| H5 | C15 | C14 | H17 | 0.3° | 0.0° |
| H5 | C15 | C16 | H18 | 0.5° | 0.1° |
| H6 | C17 | C18 | H19 | 140.2° | 145.1° |
| H6 | C17 | C18 | H20 | 0.1° | 0.1° |
| H7 | C17 | C18 | H19 | 0.1° | 0.0° |
| H7 | C17 | C18 | H20 | 140.2° | 145.0° |
| H8 | C20 | C21 | H9 | 0.6° | 0.4° |
| H10 | C24 | C23 | H22 | 0.6° | 0.0° |
| H11 | C26 | C25 | H23 | 130.6° | 107.6° |
| H12 | C26 | C25 | H23 | 0.0° | 23.7° |
| H13 | C28 | C29 | H26 | 60.0° | 59.9° |
| H13 | C28 | C29 | H27 | 60.0° | 180.0° |
| H13 | C28 | C29 | H28 | 179.9° | 60.0° |
| H14 | C28 | C29 | H26 | 60.0° | 180.0° |
| H14 | C28 | C29 | H27 | 180.0° | 59.9° |
| H14 | C28 | C29 | H28 | 60.0° | 60.0° |
| H15 | C1 | C2 | H21 | 0.3° | 0.0° |
| H23 | C25 | C27 | H24 | 0.0° | 23.9° |
| H23 | C25 | C27 | H25 | 130.6° | 107.6° |
| H26 | C29 | H27 | H28 | 120.0° | 120.0° |
