TX9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | N2 | sing | 1.47Å | 1.19Å | |
| N2 | C27 | sing | 1.49Å | 1.36Å | |
| N2 | C28 | sing | 1.48Å | 1.37Å | |
| C27 | C26 | sing | 1.55Å | 1.50Å | |
| C28 | C29 | sing | 1.54Å | 1.46Å | |
| C29 | C26 | sing | 1.55Å | 1.37Å | |
| C26 | C25 | sing | 1.53Å | 1.58Å | |
| C25 | O2 | sing | 1.43Å | 1.38Å | |
| O2 | C22 | sing | 1.36Å | 1.41Å | |
| C22 | C23 | doub | 1.39Å | 1.51Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.32Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.29Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.54Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.50Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.31Å | Aromatic |
| C19 | C9 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.47Å | |
| C18 | C8 | sing | 1.52Å | 1.55Å | |
| C2 | C1 | doub | 1.38Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.54Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.51Å | Aromatic |
| O1 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.38Å | 1.33Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | doub | 1.38Å | 1.33Å | Aromatic |
| C9 | N1 | sing | 1.47Å | 1.39Å | |
| C4 | C5 | sing | 1.39Å | 1.51Å | Aromatic |
| C5 | C7 | sing | 1.50Å | 1.61Å | |
| C17 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | N1 | sing | 1.47Å | 1.36Å | |
| C8 | C7 | sing | 1.53Å | 1.58Å | |
| N1 | C10 | sing | 1.35Å | 1.48Å | |
| C10 | O3 | doub | 1.22Å | 1.11Å | |
| C10 | C11 | sing | 1.48Å | 1.54Å | |
| C12 | C11 | doub | 1.40Å | 1.30Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.51Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.51Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.29Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.32Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.50Å | Aromatic |
| 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 | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| O1 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C32 | 105.2° | 109.5° |
| C34 | C33 | H34 | 110.5° | 109.5° |
| C34 | C33 | H35 | 110.5° | 109.5° |
| C33 | C34 | H36 | 109.5° | 109.5° |
| C33 | C34 | H37 | 109.5° | 109.5° |
| C33 | C34 | H38 | 109.5° | 109.5° |
| C33 | C32 | C31 | 111.4° | 109.5° |
| C33 | C32 | H32 | 109.0° | 109.5° |
| C33 | C32 | H33 | 109.0° | 109.5° |
| C32 | C33 | H34 | 110.5° | 109.5° |
| C32 | C33 | H35 | 110.5° | 109.4° |
| C32 | C31 | C30 | 106.2° | 109.5° |
| C32 | C31 | H30 | 110.3° | 109.4° |
| C32 | C31 | H31 | 110.3° | 109.5° |
| C31 | C32 | H32 | 109.0° | 109.5° |
| C31 | C32 | H33 | 109.0° | 109.4° |
| C31 | C30 | N2 | 113.2° | 109.5° |
| C31 | C30 | H28 | 108.5° | 109.5° |
| C31 | C30 | H29 | 108.5° | 109.5° |
| C30 | C31 | H30 | 110.3° | 109.5° |
| C30 | C31 | H31 | 110.3° | 109.5° |
| C30 | N2 | C27 | 116.3° | 111.0° |
| C30 | N2 | C28 | 113.8° | 111.1° |
| N2 | C30 | H28 | 108.5° | 109.4° |
| N2 | C30 | H29 | 108.5° | 109.5° |
| C27 | N2 | C28 | 101.9° | 105.8° |
| N2 | C27 | C26 | 93.6° | 103.2° |
| N2 | C27 | H24 | 113.3° | 110.7° |
| N2 | C27 | H25 | 113.3° | 110.8° |
| N2 | C28 | C29 | 94.9° | 107.0° |
| N2 | C28 | H12 | 113.0° | 109.9° |
| N2 | C28 | H13 | 113.0° | 110.1° |
| C27 | C26 | C29 | 108.7° | 103.1° |
| C27 | C26 | C25 | 110.7° | 110.7° |
| C27 | C26 | H11 | 111.8° | 110.8° |
| C26 | C27 | H24 | 113.3° | 110.7° |
| C26 | C27 | H25 | 113.3° | 110.6° |
| C28 | C29 | C26 | 99.5° | 105.2° |
| C29 | C28 | H12 | 113.0° | 109.9° |
| C29 | C28 | H13 | 113.0° | 110.0° |
| C28 | C29 | H26 | 111.9° | 110.3° |
| C28 | C29 | H27 | 111.9° | 110.3° |
| C29 | C26 | C25 | 100.2° | 110.7° |
| C29 | C26 | H11 | 114.2° | 110.7° |
| C26 | C29 | H26 | 111.9° | 110.3° |
| C26 | C29 | H27 | 111.9° | 110.3° |
| C26 | C25 | O2 | 107.8° | 109.5° |
| C25 | C26 | H11 | 110.6° | 110.6° |
| C26 | C25 | H22 | 109.9° | 109.5° |
| C26 | C25 | H23 | 109.9° | 109.4° |
| C25 | O2 | C22 | 112.2° | 117.0° |
| O2 | C25 | H22 | 109.9° | 109.5° |
| O2 | C25 | H23 | 109.9° | 109.5° |
| O2 | C22 | C23 | 118.7° | 120.1° |
| O2 | C22 | C21 | 121.7° | 120.0° |
| C23 | C22 | C21 | 119.6° | 119.9° |
| C22 | C23 | C24 | 120.3° | 119.9° |
| C22 | C23 | H21 | 119.9° | 120.0° |
| C22 | C21 | C20 | 120.0° | 120.0° |
| C22 | C21 | H9 | 120.0° | 120.0° |
| C23 | C24 | C19 | 120.8° | 120.1° |
| C23 | C24 | H10 | 119.6° | 120.0° |
| C24 | C23 | H21 | 119.9° | 120.0° |
| C21 | C20 | C19 | 118.5° | 120.0° |
| C21 | C20 | H8 | 120.7° | 120.0° |
| C20 | C21 | H9 | 120.0° | 120.0° |
| C24 | C19 | C20 | 120.8° | 120.1° |
| C24 | C19 | C9 | 116.4° | 119.9° |
| C19 | C24 | H10 | 119.6° | 120.0° |
| C20 | C19 | C9 | 122.8° | 119.9° |
| C19 | C20 | H8 | 120.8° | 120.0° |
| C19 | C9 | C6 | 110.5° | 109.4° |
| C19 | C9 | N1 | 112.9° | 109.3° |
| C19 | C9 | H39 | 106.8° | 109.2° |
| C17 | C18 | C8 | 61.4° | 59.9° |
| C18 | C17 | C8 | 61.8° | 59.9° |
| C18 | C17 | H6 | 119.7° | 117.5° |
| C18 | C17 | H7 | 119.7° | 117.6° |
| C17 | C18 | H18 | 119.8° | 117.5° |
| C17 | C18 | H19 | 119.8° | 117.5° |
| C18 | C8 | C17 | 56.8° | 60.2° |
| C18 | C8 | N1 | 116.1° | 118.1° |
| C18 | C8 | C7 | 108.2° | 118.6° |
| C8 | C18 | H18 | 119.8° | 117.5° |
| C8 | C18 | H19 | 119.8° | 117.5° |
| C1 | C2 | C3 | 122.3° | 119.6° |
| C2 | C1 | C6 | 117.9° | 120.9° |
| C2 | C1 | H14 | 121.0° | 119.5° |
| C1 | C2 | H20 | 118.9° | 120.2° |
| C2 | C3 | O1 | 122.0° | 120.2° |
| C2 | C3 | C4 | 119.1° | 119.6° |
| C3 | C2 | H20 | 118.9° | 120.2° |
| C1 | C6 | C9 | 115.5° | 117.0° |
| C1 | C6 | C5 | 120.2° | 119.6° |
| C6 | C1 | H14 | 121.1° | 119.6° |
| O1 | C3 | C4 | 118.9° | 120.2° |
| C3 | O1 | H41 | 109.5° | 114.0° |
| C3 | C4 | C5 | 118.3° | 120.6° |
| C3 | C4 | H1 | 120.9° | 119.7° |
| C9 | C6 | C5 | 124.1° | 123.5° |
| C6 | C9 | N1 | 111.3° | 110.4° |
| C6 | C9 | H39 | 106.8° | 109.3° |
| C6 | C5 | C4 | 122.2° | 119.7° |
| C6 | C5 | C7 | 122.1° | 123.3° |
| C9 | N1 | C8 | 123.1° | 116.6° |
| C9 | N1 | C10 | 116.6° | 121.7° |
| N1 | C9 | H39 | 108.2° | 109.3° |
| C4 | C5 | C7 | 115.6° | 116.9° |
| C5 | C4 | H1 | 120.8° | 119.7° |
| C5 | C7 | C8 | 107.1° | 110.3° |
| C5 | C7 | H2 | 110.1° | 109.4° |
| C5 | C7 | H3 | 110.1° | 109.3° |
| C17 | C8 | N1 | 135.3° | 118.0° |
| C17 | C8 | C7 | 107.8° | 118.6° |
| C8 | C17 | H6 | 119.7° | 117.5° |
| C8 | C17 | H7 | 119.7° | 117.5° |
| N1 | C8 | C7 | 115.4° | 113.5° |
| C8 | N1 | C10 | 120.2° | 121.7° |
| C8 | C7 | H2 | 110.0° | 109.0° |
| C8 | C7 | H3 | 110.0° | 109.4° |
| N1 | C10 | O3 | 121.5° | 120.0° |
| N1 | C10 | C11 | 121.3° | 120.0° |
| O3 | C10 | C11 | 116.5° | 120.0° |
| C10 | C11 | C12 | 127.5° | 120.1° |
| C10 | C11 | C16 | 110.5° | 120.2° |
| C11 | C12 | C13 | 117.2° | 119.9° |
| C12 | C11 | C16 | 121.9° | 119.7° |
| C11 | C12 | H15 | 121.4° | 120.1° |
| C12 | C13 | C14 | 121.4° | 120.1° |
| C12 | C13 | H4 | 119.3° | 119.9° |
| C13 | C12 | H15 | 121.4° | 120.1° |
| C11 | C16 | C15 | 120.0° | 119.9° |
| C11 | C16 | H17 | 120.0° | 120.1° |
| C13 | C14 | C15 | 121.7° | 120.3° |
| C14 | C13 | H4 | 119.3° | 119.9° |
| C13 | C14 | H16 | 119.2° | 119.8° |
| C16 | C15 | C14 | 117.8° | 120.2° |
| C16 | C15 | H5 | 121.1° | 119.9° |
| C15 | C16 | H17 | 120.0° | 120.1° |
| C14 | C15 | H5 | 121.1° | 119.9° |
| C15 | C14 | H16 | 119.2° | 119.9° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H6 | C17 | H7 | 109.5° | 115.6° |
| H12 | C28 | H13 | 109.5° | 109.9° |
| H18 | C18 | H19 | 109.5° | 115.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H24 | C27 | H25 | 109.5° | 110.6° |
| H26 | C29 | H27 | 109.5° | 110.3° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.4° |
| H32 | C32 | H33 | 109.5° | 109.4° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H36 | C34 | H37 | 109.5° | 109.5° |
| H36 | C34 | H38 | 109.5° | 109.5° |
| H37 | C34 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C32 | H34 | 119.3° | 120.0° |
| C34 | C33 | C32 | H35 | 119.3° | 120.0° |
| C34 | C33 | C32 | C31 | 117.2° | 180.0° |
| C34 | C33 | C32 | H32 | 3.1° | 59.9° |
| C34 | C33 | C32 | H33 | 122.5° | 60.0° |
| C34 | C33 | H34 | H35 | 122.0° | 120.1° |
| C33 | C34 | H36 | H37 | 120.0° | 120.0° |
| C33 | C34 | H36 | H38 | 120.0° | 120.0° |
| C33 | C34 | H37 | H38 | 120.0° | 120.0° |
| C33 | C32 | C31 | H32 | 120.3° | 120.1° |
| C33 | C32 | C31 | H33 | 120.3° | 120.0° |
| C33 | C32 | C31 | C30 | 178.7° | 180.0° |
| C33 | C32 | C31 | H30 | 59.2° | 60.0° |
| C33 | C32 | C31 | H31 | 61.8° | 60.0° |
| C33 | C32 | H32 | H33 | 119.1° | 120.0° |
| C32 | C33 | H34 | H35 | 122.0° | 119.9° |
| C32 | C33 | C34 | H36 | 180.0° | 59.9° |
| C32 | C33 | C34 | H37 | 60.0° | 60.1° |
| C32 | C33 | C34 | H38 | 60.0° | 180.0° |
| C32 | C31 | C30 | H30 | 119.5° | 120.0° |
| C32 | C31 | C30 | H31 | 119.5° | 120.0° |
| C32 | C31 | C30 | N2 | 41.4° | 180.0° |
| C32 | C31 | C30 | H28 | 161.9° | 60.0° |
| C32 | C31 | C30 | H29 | 79.2° | 60.0° |
| C32 | C31 | H30 | H31 | 121.5° | 120.0° |
| C31 | C32 | H32 | H33 | 119.1° | 120.0° |
| C31 | C32 | C33 | H34 | 123.5° | 60.0° |
| C31 | C32 | C33 | H35 | 2.2° | 60.0° |
| C31 | C30 | N2 | H28 | 120.5° | 120.0° |
| C31 | C30 | N2 | H29 | 120.5° | 120.0° |
| C31 | C30 | N2 | C27 | 119.6° | 170.0° |
| C31 | C30 | N2 | C28 | 122.5° | 72.6° |
| C31 | C30 | H28 | H29 | 118.3° | 120.0° |
| C30 | C31 | H30 | H31 | 121.5° | 120.0° |
| C30 | C31 | C32 | H32 | 61.0° | 59.9° |
| C30 | C31 | C32 | H33 | 58.4° | 60.0° |
| C30 | N2 | C27 | C28 | 124.3° | 120.6° |
| C30 | N2 | C27 | C26 | 178.1° | 159.7° |
| C30 | N2 | C28 | C29 | 168.6° | 145.9° |
| C30 | N2 | C28 | H12 | 73.9° | 94.8° |
| C30 | N2 | C28 | H13 | 51.1° | 26.4° |
| C30 | N2 | C27 | H24 | 64.6° | 41.3° |
| C30 | N2 | C27 | H25 | 60.9° | 81.8° |
| N2 | C30 | H28 | H29 | 118.3° | 120.0° |
| N2 | C30 | C31 | H30 | 78.1° | 60.0° |
| N2 | C30 | C31 | H31 | 160.9° | 60.0° |
| N2 | C27 | C26 | H24 | 117.3° | 118.5° |
| N2 | C27 | C26 | H25 | 117.2° | 118.6° |
| C27 | N2 | C28 | C29 | 65.5° | 25.3° |
| N2 | C27 | C26 | C29 | 22.6° | 37.3° |
| N2 | C27 | C26 | C25 | 131.8° | 155.8° |
| N2 | C27 | C26 | H11 | 104.3° | 81.1° |
| C27 | N2 | C28 | H12 | 52.0° | 144.6° |
| C27 | N2 | C28 | H13 | 177.0° | 94.2° |
| N2 | C27 | H24 | H25 | 127.5° | 123.2° |
| C27 | N2 | C30 | H28 | 0.9° | 50.0° |
| C27 | N2 | C30 | H29 | 119.9° | 70.0° |
| C28 | N2 | C27 | C26 | 53.8° | 39.1° |
| N2 | C28 | C29 | H12 | 117.5° | 119.3° |
| N2 | C28 | C29 | H13 | 117.5° | 119.6° |
| N2 | C28 | C29 | C26 | 45.2° | 1.3° |
| N2 | C28 | H12 | H13 | 126.8° | 121.3° |
| C28 | N2 | C27 | H24 | 171.1° | 79.4° |
| C28 | N2 | C27 | H25 | 63.4° | 157.5° |
| N2 | C28 | C29 | H26 | 163.5° | 117.7° |
| N2 | C28 | C29 | H27 | 73.2° | 120.2° |
| C28 | N2 | C30 | H28 | 117.0° | 167.5° |
| C28 | N2 | C30 | H29 | 1.9° | 47.5° |
| C27 | C26 | C29 | C28 | 14.1° | 21.9° |
| C27 | C26 | C29 | C25 | 116.2° | 118.4° |
| C27 | C26 | C29 | H11 | 125.6° | 118.5° |
| C27 | C26 | C25 | H11 | 124.6° | 123.2° |
| C27 | C26 | C25 | O2 | 46.6° | 177.5° |
| C27 | C26 | C25 | H22 | 73.1° | 57.4° |
| C27 | C26 | C25 | H23 | 166.3° | 62.5° |
| C26 | C27 | H24 | H25 | 127.5° | 123.0° |
| C27 | C26 | C29 | H26 | 132.5° | 140.8° |
| C27 | C26 | C29 | H27 | 104.3° | 97.0° |
| C28 | C29 | C26 | H26 | 118.4° | 119.0° |
| C28 | C29 | C26 | H27 | 118.4° | 118.9° |
| C28 | C29 | C26 | C25 | 102.1° | 140.3° |
| C28 | C29 | C26 | H11 | 139.7° | 96.6° |
| C29 | C28 | H12 | H13 | 126.9° | 121.2° |
| C28 | C29 | H26 | H27 | 124.6° | 122.1° |
| C29 | C26 | C25 | H11 | 120.8° | 123.1° |
| C29 | C26 | C25 | O2 | 161.2° | 68.9° |
| C26 | C29 | C28 | H12 | 72.3° | 120.5° |
| C26 | C29 | C28 | H13 | 162.6° | 118.3° |
| C29 | C26 | C25 | H22 | 41.5° | 171.1° |
| C29 | C26 | C25 | H23 | 79.1° | 51.2° |
| C29 | C26 | C27 | H24 | 139.9° | 81.1° |
| C29 | C26 | C27 | H25 | 94.6° | 155.9° |
| C26 | C29 | H26 | H27 | 124.6° | 122.1° |
| C26 | C25 | O2 | H22 | 119.7° | 120.0° |
| C26 | C25 | O2 | H23 | 119.7° | 120.0° |
| C26 | C25 | O2 | C22 | 169.3° | 179.9° |
| C26 | C25 | H22 | H23 | 120.8° | 119.9° |
| C25 | C26 | C27 | H24 | 111.0° | 37.3° |
| C25 | C26 | C27 | H25 | 14.5° | 85.7° |
| C25 | C26 | C29 | H26 | 16.3° | 100.7° |
| C25 | C26 | C29 | H27 | 139.6° | 21.4° |
| C25 | O2 | C22 | C23 | 158.1° | 180.0° |
| C25 | O2 | C22 | C21 | 23.8° | 0.0° |
| O2 | C25 | C26 | H11 | 78.0° | 54.3° |
| O2 | C25 | H22 | H23 | 120.8° | 120.0° |
| O2 | C22 | C23 | C21 | 178.2° | 179.9° |
| O2 | C22 | C23 | C24 | 179.3° | 179.8° |
| O2 | C22 | C21 | C20 | 178.3° | 180.0° |
| O2 | C22 | C21 | H9 | 1.7° | 0.0° |
| O2 | C22 | C23 | H21 | 0.7° | 0.1° |
| C22 | O2 | C25 | H22 | 49.6° | 60.0° |
| C22 | O2 | C25 | H23 | 70.9° | 60.0° |
| C22 | C23 | C24 | H21 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C23 | C24 | C19 | 0.9° | 0.5° |
| C23 | C22 | C21 | H9 | 179.8° | 179.9° |
| C22 | C23 | C24 | H10 | 179.1° | 180.0° |
| C21 | C22 | C23 | C24 | 1.1° | 0.3° |
| C22 | C21 | C20 | H9 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 1.0° | 0.0° |
| C22 | C21 | C20 | H8 | 179.0° | 179.7° |
| C21 | C22 | C23 | H21 | 178.9° | 180.0° |
| C23 | C24 | C19 | H10 | 180.0° | 179.5° |
| C23 | C24 | C19 | C20 | 0.3° | 0.5° |
| C23 | C24 | C19 | C9 | 179.6° | 179.4° |
| C21 | C20 | C19 | C24 | 1.2° | 0.2° |
| C21 | C20 | C19 | H8 | 180.0° | 179.7° |
| C21 | C20 | C19 | C9 | 178.6° | 179.7° |
| C24 | C19 | C20 | C9 | 179.9° | 179.9° |
| C24 | C19 | C9 | C6 | 36.4° | 57.3° |
| C24 | C19 | C9 | N1 | 89.1° | 63.7° |
| C24 | C19 | C20 | H8 | 178.8° | 179.9° |
| C19 | C24 | C23 | H21 | 179.1° | 179.8° |
| C24 | C19 | C9 | H39 | 152.2° | 176.8° |
| C20 | C19 | C9 | C6 | 143.5° | 122.6° |
| C20 | C19 | C9 | N1 | 91.1° | 116.4° |
| C19 | C20 | C21 | H9 | 179.0° | 180.0° |
| C20 | C19 | C24 | H10 | 179.7° | 180.0° |
| C20 | C19 | C9 | H39 | 27.7° | 3.1° |
| C19 | C9 | C6 | C1 | 63.6° | 73.1° |
| C19 | C9 | C6 | N1 | 126.3° | 120.3° |
| C19 | C9 | C6 | H39 | 115.8° | 119.4° |
| C19 | C9 | C6 | C5 | 112.5° | 106.6° |
| C19 | C9 | N1 | H39 | 117.9° | 119.4° |
| C19 | C9 | N1 | C8 | 85.8° | 79.2° |
| C19 | C9 | N1 | C10 | 90.3° | 101.1° |
| C9 | C19 | C20 | H8 | 1.4° | 0.1° |
| C9 | C19 | C24 | H10 | 0.4° | 0.1° |
| C17 | C18 | C8 | H18 | 109.8° | 107.4° |
| C17 | C18 | C8 | H19 | 109.9° | 107.5° |
| C18 | C17 | C8 | H6 | 109.9° | 107.5° |
| C18 | C17 | C8 | H7 | 110.0° | 107.6° |
| C17 | C18 | C8 | N1 | 128.7° | 107.9° |
| C17 | C18 | C8 | C7 | 99.7° | 108.4° |
| C18 | C17 | H6 | H7 | 143.8° | 145.9° |
| C17 | C18 | H18 | H19 | 144.0° | 145.7° |
| C18 | C8 | N1 | C9 | 76.3° | 88.0° |
| C18 | C8 | C7 | C5 | 98.2° | 104.6° |
| C18 | C8 | N1 | C7 | 128.1° | 145.5° |
| C18 | C8 | N1 | C10 | 99.7° | 92.3° |
| C18 | C8 | C7 | H2 | 21.4° | 15.5° |
| C18 | C8 | C7 | H3 | 142.1° | 135.1° |
| C8 | C18 | H18 | H19 | 144.0° | 145.8° |
| C1 | C2 | C3 | H20 | 180.0° | 179.9° |
| C2 | C1 | C6 | H14 | 180.0° | 180.0° |
| C1 | C2 | C3 | O1 | 179.5° | 179.6° |
| C1 | C2 | C3 | C4 | 0.2° | 0.4° |
| C2 | C1 | C6 | C9 | 178.5° | 179.2° |
| C2 | C1 | C6 | C5 | 2.3° | 0.6° |
| C3 | C2 | C1 | C6 | 0.8° | 0.0° |
| C2 | C3 | O1 | C4 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C2 | C3 | C4 | H1 | 179.8° | 179.5° |
| C3 | C2 | C1 | H14 | 179.2° | 180.0° |
| C2 | C3 | O1 | H41 | 180.0° | 90.0° |
| C1 | C6 | C9 | C5 | 176.0° | 179.7° |
| C1 | C6 | C9 | N1 | 170.1° | 166.5° |
| C1 | C6 | C5 | C4 | 2.8° | 0.8° |
| C1 | C6 | C5 | C7 | 179.8° | 178.3° |
| C6 | C1 | C2 | H20 | 179.2° | 180.0° |
| C1 | C6 | C9 | H39 | 52.2° | 46.3° |
| O1 | C3 | C4 | C5 | 179.1° | 179.8° |
| O1 | C3 | C4 | H1 | 0.9° | 0.5° |
| O1 | C3 | C2 | H20 | 0.6° | 0.4° |
| C3 | C4 | C5 | C6 | 1.7° | 0.4° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C7 | 178.9° | 178.7° |
| C4 | C3 | C2 | H20 | 179.8° | 179.6° |
| C4 | C3 | O1 | H41 | 0.7° | 90.0° |
| C6 | C9 | N1 | H39 | 117.1° | 120.2° |
| C9 | C6 | C5 | C4 | 178.6° | 179.0° |
| C9 | C6 | C5 | C7 | 4.4° | 2.0° |
| C6 | C9 | N1 | C8 | 39.1° | 41.2° |
| C6 | C9 | N1 | C10 | 144.7° | 138.6° |
| C9 | C6 | C1 | H14 | 1.5° | 0.8° |
| C5 | C6 | C9 | N1 | 13.8° | 13.7° |
| C6 | C5 | C4 | C7 | 177.2° | 179.1° |
| C6 | C5 | C7 | C8 | 13.1° | 15.0° |
| C6 | C5 | C4 | H1 | 178.2° | 179.9° |
| C6 | C5 | C7 | H2 | 132.7° | 134.9° |
| C6 | C5 | C7 | H3 | 106.5° | 105.3° |
| C5 | C6 | C1 | H14 | 177.7° | 179.4° |
| C5 | C6 | C9 | H39 | 131.8° | 134.0° |
| C9 | N1 | C8 | C17 | 144.5° | 157.3° |
| C9 | N1 | C8 | C10 | 176.0° | 179.8° |
| C9 | N1 | C8 | C7 | 51.8° | 57.5° |
| C9 | N1 | C10 | O3 | 3.3° | 175.9° |
| C9 | N1 | C10 | C11 | 173.3° | 4.1° |
| C4 | C5 | C7 | C8 | 169.7° | 165.9° |
| C4 | C5 | C7 | H2 | 50.1° | 46.0° |
| C4 | C5 | C7 | H3 | 70.6° | 73.8° |
| C5 | C7 | C8 | C17 | 158.3° | 174.3° |
| C5 | C7 | C8 | N1 | 33.7° | 40.6° |
| C5 | C7 | C8 | H2 | 119.6° | 120.1° |
| C5 | C7 | C8 | H3 | 119.6° | 120.3° |
| C7 | C5 | C4 | H1 | 1.1° | 1.0° |
| C5 | C7 | H2 | H3 | 121.1° | 119.7° |
| C17 | C8 | N1 | C7 | 163.7° | 145.3° |
| C17 | C8 | N1 | C10 | 31.5° | 23.0° |
| C17 | C8 | C7 | H2 | 38.6° | 54.2° |
| C17 | C8 | C7 | H3 | 82.1° | 65.4° |
| C8 | C17 | H6 | H7 | 143.8° | 145.6° |
| C8 | N1 | C10 | O3 | 179.6° | 4.3° |
| C8 | N1 | C10 | C11 | 10.4° | 175.7° |
| N1 | C8 | C7 | H2 | 153.4° | 160.7° |
| N1 | C8 | C7 | H3 | 85.9° | 79.7° |
| N1 | C8 | C17 | H6 | 15.0° | 144.5° |
| N1 | C8 | C17 | H7 | 155.1° | 0.5° |
| N1 | C8 | C18 | H18 | 121.5° | 0.5° |
| N1 | C8 | C18 | H19 | 18.8° | 144.6° |
| C8 | N1 | C9 | H39 | 156.2° | 161.4° |
| C7 | C8 | N1 | C10 | 132.2° | 122.3° |
| C8 | C7 | H2 | H3 | 121.1° | 119.6° |
| C7 | C8 | C17 | H6 | 149.6° | 1.0° |
| C7 | C8 | C17 | H7 | 9.5° | 144.0° |
| C7 | C8 | C18 | H18 | 10.1° | 144.2° |
| C7 | C8 | C18 | H19 | 150.4° | 0.9° |
| N1 | C10 | O3 | C11 | 170.4° | 180.0° |
| N1 | C10 | C11 | C12 | 123.9° | 57.9° |
| N1 | C10 | C11 | C16 | 60.0° | 122.9° |
| C10 | N1 | C9 | H39 | 27.6° | 18.3° |
| O3 | C10 | C11 | C12 | 65.6° | 122.1° |
| O3 | C10 | C11 | C16 | 110.4° | 57.1° |
| C10 | C11 | C12 | C16 | 175.6° | 179.2° |
| C10 | C11 | C12 | C13 | 178.0° | 179.7° |
| C10 | C11 | C16 | C15 | 177.4° | 180.0° |
| C10 | C11 | C12 | H15 | 1.9° | 0.2° |
| C10 | C11 | C16 | H17 | 2.6° | 0.0° |
| C11 | C12 | C13 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.4° | 0.0° |
| C12 | C11 | C16 | C15 | 1.1° | 0.8° |
| C11 | C12 | C13 | H4 | 178.6° | 179.7° |
| C12 | C11 | C16 | H17 | 178.9° | 179.2° |
| C13 | C12 | C11 | C16 | 2.4° | 0.5° |
| C12 | C13 | C14 | H4 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 1.0° | 0.3° |
| C12 | C13 | C14 | H16 | 179.0° | 179.7° |
| C11 | C16 | C15 | H17 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 1.3° | 0.5° |
| C11 | C16 | C15 | H5 | 178.7° | 179.4° |
| C16 | C11 | C12 | H15 | 177.6° | 179.4° |
| C13 | C14 | C15 | C16 | 2.4° | 0.0° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C13 | C14 | C15 | H5 | 177.7° | 180.0° |
| C14 | C13 | C12 | H15 | 178.6° | 180.0° |
| C16 | C15 | C14 | H5 | 180.0° | 180.0° |
| C16 | C15 | C14 | H16 | 177.6° | 179.9° |
| C15 | C14 | C13 | H4 | 179.0° | 180.0° |
| C14 | C15 | C16 | H17 | 178.7° | 179.5° |
| H4 | C13 | C12 | H15 | 1.4° | 0.3° |
| H4 | C13 | C14 | H16 | 1.1° | 0.0° |
| H5 | C15 | C14 | H16 | 2.4° | 0.0° |
| H5 | C15 | C16 | H17 | 1.3° | 0.6° |
| H6 | C17 | C18 | H18 | 140.2° | 145.1° |
| H6 | C17 | C18 | H19 | 0.1° | 0.1° |
| H7 | C17 | C18 | H18 | 0.1° | 0.1° |
| H7 | C17 | C18 | H19 | 140.2° | 145.1° |
| H8 | C20 | C21 | H9 | 1.0° | 0.3° |
| H10 | C24 | C23 | H21 | 0.9° | 0.3° |
| H11 | C26 | C25 | H22 | 162.3° | 65.8° |
| H11 | C26 | C25 | H23 | 41.7° | 174.3° |
| H11 | C26 | C27 | H24 | 12.9° | 160.4° |
| H11 | C26 | C27 | H25 | 138.4° | 37.4° |
| H11 | C26 | C29 | H26 | 102.0° | 22.4° |
| H11 | C26 | C29 | H27 | 21.3° | 144.5° |
| H12 | C28 | C29 | H26 | 46.0° | 1.6° |
| H12 | C28 | C29 | H27 | 169.3° | 120.6° |
| H13 | C28 | C29 | H26 | 79.0° | 122.7° |
| H13 | C28 | C29 | H27 | 44.3° | 0.6° |
| H14 | C1 | C2 | H20 | 0.8° | 0.1° |
| H28 | C30 | C31 | H30 | 42.5° | 60.0° |
| H28 | C30 | C31 | H31 | 78.6° | 179.9° |
| H29 | C30 | C31 | H30 | 161.4° | 179.9° |
| H29 | C30 | C31 | H31 | 40.3° | 60.1° |
| H30 | C31 | C32 | H32 | 179.5° | 180.0° |
| H30 | C31 | C32 | H33 | 61.1° | 60.0° |
| H31 | C31 | C32 | H32 | 58.5° | 60.1° |
| H31 | C31 | C32 | H33 | 177.9° | 180.0° |
| H32 | C32 | C33 | H34 | 116.2° | 180.0° |
| H32 | C32 | C33 | H35 | 122.4° | 60.1° |
| H33 | C32 | C33 | H34 | 3.2° | 60.0° |
| H33 | C32 | C33 | H35 | 118.2° | 179.9° |
| H34 | C33 | C34 | H36 | 60.7° | 180.0° |
| H34 | C33 | C34 | H37 | 59.3° | 59.9° |
| H34 | C33 | C34 | H38 | 179.3° | 60.0° |
| H35 | C33 | C34 | H36 | 60.7° | 60.0° |
| H35 | C33 | C34 | H37 | 179.3° | 180.0° |
| H35 | C33 | C34 | H38 | 59.3° | 60.0° |
| H36 | C34 | H37 | H38 | 120.0° | 120.0° |
