2V3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C45 | N42 | sing | 1.47Å | 1.48Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C40 | N39 | sing | 1.47Å | 1.48Å | |
| C41 | N42 | sing | 1.47Å | 1.49Å | |
| N42 | C43 | sing | 1.47Å | 1.49Å | |
| N39 | C44 | sing | 1.47Å | 1.49Å | |
| N39 | C36 | sing | 1.40Å | 1.44Å | |
| C35 | C36 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C43 | sing | 1.53Å | 1.55Å | |
| C36 | C37 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | C29 | doub | 1.39Å | 1.42Å | Aromatic |
| C37 | N38 | doub | 1.32Å | 1.32Å | Aromatic |
| C29 | N38 | sing | 1.32Å | 1.34Å | Aromatic |
| C29 | N7 | sing | 1.39Å | 1.39Å | |
| N7 | C1 | sing | 1.40Å | 1.43Å | |
| C1 | C5 | sing | 1.41Å | 1.43Å | |
| C1 | C2 | doub | 1.37Å | 1.39Å | |
| O28 | C5 | doub | 1.22Å | 1.22Å | |
| C5 | N6 | sing | 1.35Å | 1.37Å | |
| C2 | C3 | sing | 1.41Å | 1.45Å | |
| N6 | C27 | sing | 1.47Å | 1.47Å | |
| N6 | C4 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.36Å | 1.41Å | |
| C3 | C8 | sing | 1.48Å | 1.51Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C25 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | O26 | sing | 1.43Å | 1.47Å | |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N14 | sing | 1.40Å | 1.40Å | |
| C15 | N14 | sing | 1.37Å | 1.39Å | |
| C15 | C16 | doub | 1.34Å | 1.35Å | |
| N14 | C17 | sing | 1.35Å | 1.38Å | |
| C16 | C19 | sing | 1.46Å | 1.48Å | |
| C17 | O24 | doub | 1.22Å | 1.24Å | |
| C17 | C18 | sing | 1.47Å | 1.51Å | |
| C19 | C18 | doub | 1.41Å | 1.44Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | F31 | sing | 1.35Å | 1.33Å | |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C30 | sing | 1.51Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| N7 | H3 | sing | 0.97Å | 1.00Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| O26 | H13 | sing | 0.97Å | 0.95Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | C45 | N42 | 109.1° | 109.5° |
| C46 | C45 | H34 | 109.5° | 109.5° |
| C46 | C45 | H35 | 109.6° | 109.5° |
| C45 | C46 | H36 | 109.5° | 109.5° |
| C45 | C46 | H37 | 109.5° | 109.5° |
| C45 | C46 | H38 | 109.5° | 109.5° |
| C45 | N42 | C41 | 115.2° | 111.0° |
| C45 | N42 | C43 | 111.7° | 111.0° |
| N42 | C45 | H34 | 109.6° | 109.5° |
| N42 | C45 | H35 | 109.6° | 109.5° |
| C41 | C40 | N39 | 112.1° | 109.4° |
| C40 | C41 | N42 | 109.0° | 109.3° |
| C41 | C40 | H25 | 108.8° | 109.5° |
| C41 | C40 | H26 | 108.8° | 109.4° |
| C40 | C41 | H27 | 109.6° | 109.5° |
| C40 | C41 | H28 | 109.6° | 109.5° |
| C40 | N39 | C44 | 112.5° | 110.9° |
| C40 | N39 | C36 | 118.9° | 111.0° |
| N39 | C40 | H25 | 108.8° | 109.5° |
| N39 | C40 | H26 | 108.8° | 109.5° |
| C41 | N42 | C43 | 112.7° | 110.9° |
| N42 | C41 | H27 | 109.6° | 109.5° |
| N42 | C41 | H28 | 109.6° | 109.5° |
| N42 | C43 | C44 | 114.1° | 109.4° |
| N42 | C43 | H30 | 108.3° | 109.5° |
| N42 | C43 | H31 | 108.3° | 109.4° |
| C44 | N39 | C36 | 115.6° | 111.0° |
| N39 | C44 | C43 | 113.3° | 109.4° |
| N39 | C44 | H32 | 108.5° | 109.5° |
| N39 | C44 | H33 | 108.5° | 109.5° |
| N39 | C36 | C35 | 121.7° | 120.4° |
| N39 | C36 | C37 | 120.0° | 120.4° |
| C36 | C35 | C34 | 120.3° | 118.4° |
| C35 | C36 | C37 | 118.3° | 119.2° |
| C36 | C35 | H23 | 119.9° | 120.8° |
| C35 | C34 | C29 | 117.5° | 119.2° |
| C35 | C34 | H22 | 121.3° | 120.4° |
| C34 | C35 | H23 | 119.8° | 120.8° |
| C44 | C43 | H30 | 108.3° | 109.5° |
| C44 | C43 | H31 | 108.3° | 109.5° |
| C43 | C44 | H32 | 108.5° | 109.5° |
| C43 | C44 | H33 | 108.5° | 109.5° |
| C36 | C37 | N38 | 120.5° | 120.7° |
| C36 | C37 | H24 | 119.7° | 119.6° |
| C34 | C29 | N38 | 121.4° | 120.7° |
| C34 | C29 | N7 | 117.3° | 119.7° |
| C29 | C34 | H22 | 121.3° | 120.4° |
| C37 | N38 | C29 | 121.9° | 121.7° |
| N38 | C37 | H24 | 119.7° | 119.6° |
| N38 | C29 | N7 | 121.3° | 119.6° |
| C29 | N7 | C1 | 128.4° | 120.0° |
| C29 | N7 | H3 | 115.8° | 120.0° |
| N7 | C1 | C5 | 115.6° | 120.3° |
| N7 | C1 | C2 | 125.2° | 120.4° |
| C1 | N7 | H3 | 115.7° | 120.0° |
| C5 | C1 | C2 | 119.2° | 119.3° |
| C1 | C5 | O28 | 120.1° | 119.9° |
| C1 | C5 | N6 | 121.9° | 120.2° |
| C1 | C2 | C3 | 118.8° | 119.1° |
| C1 | C2 | H1 | 120.6° | 120.4° |
| O28 | C5 | N6 | 118.0° | 119.9° |
| C5 | N6 | C27 | 115.5° | 119.6° |
| C5 | N6 | C4 | 119.8° | 120.9° |
| C2 | C3 | C4 | 119.4° | 119.8° |
| C2 | C3 | C8 | 121.5° | 120.1° |
| C3 | C2 | H1 | 120.6° | 120.5° |
| C27 | N6 | C4 | 124.7° | 119.5° |
| N6 | C27 | H14 | 109.5° | 109.4° |
| N6 | C27 | H15 | 109.5° | 109.5° |
| N6 | C27 | H16 | 109.5° | 109.5° |
| N6 | C4 | C3 | 120.9° | 120.7° |
| N6 | C4 | H2 | 119.5° | 119.7° |
| C4 | C3 | C8 | 119.0° | 120.1° |
| C3 | C4 | H2 | 119.6° | 119.7° |
| C3 | C8 | C9 | 116.9° | 120.1° |
| C3 | C8 | C13 | 124.6° | 120.1° |
| C8 | C9 | C10 | 122.3° | 120.0° |
| C9 | C8 | C13 | 118.4° | 119.9° |
| C8 | C9 | H4 | 118.9° | 120.0° |
| C9 | C10 | C11 | 120.1° | 120.1° |
| C10 | C9 | H4 | 118.8° | 120.0° |
| C9 | C10 | H5 | 119.9° | 119.9° |
| C8 | C13 | C25 | 122.1° | 120.1° |
| C8 | C13 | C12 | 118.1° | 119.8° |
| C10 | C11 | C12 | 117.7° | 120.2° |
| C11 | C10 | H5 | 119.9° | 120.0° |
| C10 | C11 | H6 | 121.1° | 119.9° |
| C25 | C13 | C12 | 119.8° | 120.1° |
| C13 | C25 | O26 | 112.0° | 109.5° |
| C13 | C25 | H11 | 108.8° | 109.4° |
| C13 | C25 | H12 | 108.9° | 109.4° |
| C13 | C12 | C11 | 123.2° | 120.0° |
| C13 | C12 | N14 | 116.6° | 120.0° |
| O26 | C25 | H11 | 108.9° | 109.5° |
| O26 | C25 | H12 | 108.8° | 109.5° |
| C25 | O26 | H13 | 109.5° | 113.9° |
| C11 | C12 | N14 | 120.2° | 120.0° |
| C12 | C11 | H6 | 121.1° | 119.9° |
| C12 | N14 | C15 | 119.0° | 118.9° |
| C12 | N14 | C17 | 118.6° | 118.8° |
| N14 | C15 | C16 | 124.0° | 122.4° |
| C15 | N14 | C17 | 122.4° | 122.3° |
| N14 | C15 | H7 | 118.0° | 118.8° |
| C15 | C16 | C19 | 118.6° | 119.4° |
| C16 | C15 | H7 | 118.0° | 118.8° |
| C15 | C16 | H8 | 120.7° | 120.3° |
| N14 | C17 | O24 | 121.1° | 120.4° |
| N14 | C17 | C18 | 116.9° | 119.2° |
| C16 | C19 | C18 | 118.8° | 118.3° |
| C16 | C19 | C20 | 121.0° | 121.9° |
| C19 | C16 | H8 | 120.7° | 120.3° |
| O24 | C17 | C18 | 122.1° | 120.4° |
| C17 | C18 | C19 | 119.1° | 118.3° |
| C17 | C18 | C23 | 123.3° | 122.0° |
| C18 | C19 | C20 | 120.2° | 119.7° |
| C19 | C18 | C23 | 117.6° | 119.7° |
| C19 | C20 | C21 | 120.6° | 119.6° |
| C19 | C20 | H9 | 119.7° | 120.2° |
| C18 | C23 | F31 | 117.6° | 120.2° |
| C18 | C23 | C22 | 121.8° | 119.5° |
| C20 | C21 | C22 | 119.2° | 120.8° |
| C20 | C21 | C30 | 117.9° | 119.7° |
| C21 | C20 | H9 | 119.7° | 120.2° |
| F31 | C23 | C22 | 120.6° | 120.3° |
| C23 | C22 | C21 | 120.5° | 120.7° |
| C23 | C22 | H10 | 119.7° | 119.7° |
| C22 | C21 | C30 | 122.8° | 119.6° |
| C21 | C22 | H10 | 119.7° | 119.6° |
| C21 | C30 | C32 | 120.2° | 117.5° |
| C21 | C30 | C33 | 117.9° | 117.5° |
| C21 | C30 | H17 | 115.9° | 115.5° |
| C32 | C30 | C33 | 60.2° | 60.0° |
| C30 | C32 | C33 | 59.8° | 60.0° |
| C32 | C30 | H17 | 115.6° | 117.5° |
| C30 | C32 | H18 | 120.0° | 117.5° |
| C30 | C32 | H19 | 120.0° | 117.5° |
| C30 | C33 | C32 | 60.0° | 60.0° |
| C33 | C30 | H17 | 115.7° | 117.6° |
| C30 | C33 | H20 | 120.0° | 117.5° |
| C30 | C33 | H21 | 120.0° | 117.5° |
| C33 | C32 | H18 | 120.0° | 117.5° |
| C33 | C32 | H19 | 120.0° | 117.5° |
| C32 | C33 | H20 | 120.0° | 117.6° |
| C32 | C33 | H21 | 120.0° | 117.5° |
| H11 | C25 | H12 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H14 | C27 | H16 | 109.5° | 109.4° |
| H15 | C27 | H16 | 109.5° | 109.5° |
| H18 | C32 | H19 | 109.5° | 115.5° |
| H20 | C33 | H21 | 109.5° | 115.5° |
| H25 | C40 | H26 | 109.5° | 109.5° |
| H27 | C41 | H28 | 109.5° | 109.5° |
| H30 | C43 | H31 | 109.5° | 109.5° |
| H32 | C44 | H33 | 109.5° | 109.5° |
| H34 | C45 | H35 | 109.5° | 109.4° |
| H36 | C46 | H37 | 109.4° | 109.5° |
| H36 | C46 | H38 | 109.5° | 109.5° |
| H37 | C46 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C46 | C45 | N42 | H34 | 120.0° | 120.0° |
| C46 | C45 | N42 | H35 | 120.0° | 120.0° |
| C46 | C45 | N42 | C41 | 112.0° | 170.0° |
| C46 | C45 | N42 | C43 | 117.8° | 66.2° |
| C46 | C45 | H34 | H35 | 120.1° | 120.0° |
| C45 | C46 | H36 | H37 | 120.0° | 120.0° |
| C45 | C46 | H36 | H38 | 120.0° | 120.0° |
| C45 | C46 | H37 | H38 | 120.0° | 120.0° |
| C45 | N42 | C41 | C40 | 74.0° | 176.8° |
| C45 | N42 | C41 | C43 | 129.8° | 123.9° |
| C45 | N42 | C43 | C44 | 82.5° | 176.8° |
| C45 | N42 | C41 | H27 | 166.1° | 56.9° |
| C45 | N42 | C41 | H28 | 45.9° | 63.2° |
| C45 | N42 | C43 | H30 | 156.8° | 56.8° |
| C45 | N42 | C43 | H31 | 38.2° | 63.3° |
| N42 | C45 | H34 | H35 | 120.2° | 120.0° |
| N42 | C45 | C46 | H36 | 180.0° | 60.0° |
| N42 | C45 | C46 | H37 | 60.0° | 60.0° |
| N42 | C45 | C46 | H38 | 60.0° | 180.0° |
| C41 | C40 | N39 | H25 | 120.4° | 120.0° |
| C41 | C40 | N39 | H26 | 120.4° | 119.9° |
| C40 | C41 | N42 | H27 | 119.9° | 119.9° |
| C40 | C41 | N42 | H28 | 119.9° | 120.0° |
| C40 | C41 | N42 | C43 | 55.8° | 59.3° |
| C41 | C40 | N39 | C44 | 55.6° | 59.3° |
| C41 | C40 | N39 | C36 | 84.1° | 176.8° |
| C41 | C40 | H25 | H26 | 118.8° | 120.0° |
| C40 | C41 | H27 | H28 | 120.2° | 120.1° |
| N39 | C40 | C41 | N42 | 59.7° | 58.4° |
| C40 | N39 | C44 | C36 | 141.1° | 123.9° |
| C40 | N39 | C36 | C35 | 37.2° | 56.2° |
| C40 | N39 | C44 | C43 | 46.8° | 59.3° |
| C40 | N39 | C36 | C37 | 143.9° | 123.8° |
| N39 | C40 | H25 | H26 | 118.8° | 120.1° |
| N39 | C40 | C41 | H27 | 60.2° | 178.4° |
| N39 | C40 | C41 | H28 | 179.6° | 61.5° |
| C40 | N39 | C44 | H32 | 73.8° | 179.3° |
| C40 | N39 | C44 | H33 | 167.3° | 60.6° |
| C41 | N42 | C43 | C44 | 49.1° | 59.3° |
| N42 | C41 | C40 | H25 | 60.7° | 61.6° |
| N42 | C41 | C40 | H26 | 179.9° | 178.4° |
| N42 | C41 | H27 | H28 | 120.2° | 120.1° |
| C41 | N42 | C43 | H30 | 71.6° | 179.4° |
| C41 | N42 | C43 | H31 | 169.8° | 60.6° |
| C41 | N42 | C45 | H34 | 128.1° | 50.0° |
| C41 | N42 | C45 | H35 | 8.0° | 69.9° |
| N42 | C43 | C44 | N39 | 43.6° | 58.4° |
| N42 | C43 | C44 | H30 | 120.7° | 120.0° |
| N42 | C43 | C44 | H31 | 120.7° | 119.9° |
| C43 | N42 | C41 | H27 | 64.1° | 179.3° |
| C43 | N42 | C41 | H28 | 175.7° | 60.6° |
| N42 | C43 | H30 | H31 | 117.9° | 120.0° |
| N42 | C43 | C44 | H32 | 77.0° | 178.3° |
| N42 | C43 | C44 | H33 | 164.2° | 61.6° |
| C43 | N42 | C45 | H34 | 2.2° | 173.8° |
| C43 | N42 | C45 | H35 | 122.3° | 53.9° |
| C44 | N39 | C36 | C35 | 175.7° | 180.0° |
| N39 | C44 | C43 | H32 | 120.6° | 120.0° |
| N39 | C44 | C43 | H33 | 120.6° | 119.9° |
| C44 | N39 | C36 | C37 | 5.4° | 0.0° |
| C44 | N39 | C40 | H25 | 64.8° | 60.7° |
| C44 | N39 | C40 | H26 | 176.0° | 179.3° |
| N39 | C44 | C43 | H30 | 77.1° | 178.4° |
| N39 | C44 | C43 | H31 | 164.3° | 61.6° |
| N39 | C44 | H32 | H33 | 118.3° | 120.0° |
| N39 | C36 | C35 | C37 | 178.8° | 180.0° |
| N39 | C36 | C35 | C34 | 179.3° | 180.0° |
| C36 | N39 | C44 | C43 | 94.3° | 176.8° |
| N39 | C36 | C37 | N38 | 179.7° | 180.0° |
| N39 | C36 | C35 | H23 | 0.7° | 0.0° |
| N39 | C36 | C37 | H24 | 0.3° | 0.0° |
| C36 | N39 | C40 | H25 | 155.5° | 63.2° |
| C36 | N39 | C40 | H26 | 36.3° | 56.9° |
| C36 | N39 | C44 | H32 | 145.1° | 56.9° |
| C36 | N39 | C44 | H33 | 26.3° | 63.2° |
| C36 | C35 | C34 | H23 | 180.0° | 180.0° |
| C36 | C35 | C34 | C29 | 2.8° | 0.1° |
| C35 | C36 | C37 | N38 | 0.9° | 0.0° |
| C36 | C35 | C34 | H22 | 177.2° | 180.0° |
| C35 | C36 | C37 | H24 | 179.1° | 180.0° |
| C34 | C35 | C36 | C37 | 1.8° | 0.0° |
| C35 | C34 | C29 | H22 | 180.0° | 179.9° |
| C35 | C34 | C29 | N38 | 2.9° | 0.1° |
| C35 | C34 | C29 | N7 | 177.9° | 179.7° |
| C44 | C43 | H30 | H31 | 117.9° | 120.1° |
| C43 | C44 | H32 | H33 | 118.2° | 120.1° |
| C36 | C37 | N38 | H24 | 180.0° | 179.9° |
| C36 | C37 | N38 | C29 | 1.0° | 0.0° |
| C37 | C36 | C35 | H23 | 178.2° | 180.0° |
| C34 | C29 | N38 | C37 | 2.0° | 0.0° |
| C34 | C29 | N38 | N7 | 179.2° | 179.7° |
| C34 | C29 | N7 | C1 | 173.7° | 6.2° |
| C34 | C29 | N7 | H3 | 6.3° | 173.8° |
| C29 | C34 | C35 | H23 | 177.2° | 179.9° |
| C37 | N38 | C29 | N7 | 178.8° | 179.7° |
| N38 | C29 | N7 | C1 | 5.5° | 173.5° |
| N38 | C29 | N7 | H3 | 174.5° | 6.5° |
| N38 | C29 | C34 | H22 | 177.1° | 180.0° |
| C29 | N38 | C37 | H24 | 179.0° | 180.0° |
| C29 | N7 | C1 | H3 | 180.0° | 180.0° |
| C29 | N7 | C1 | C5 | 174.2° | 60.4° |
| C29 | N7 | C1 | C2 | 6.5° | 119.9° |
| N7 | C29 | C34 | H22 | 2.1° | 0.4° |
| N7 | C1 | C5 | C2 | 179.3° | 179.7° |
| N7 | C1 | C5 | O28 | 0.3° | 0.3° |
| N7 | C1 | C5 | N6 | 179.7° | 179.8° |
| N7 | C1 | C2 | C3 | 179.6° | 179.7° |
| N7 | C1 | C2 | H1 | 0.4° | 0.3° |
| C1 | C5 | O28 | N6 | 179.4° | 179.9° |
| C5 | C1 | C2 | C3 | 0.3° | 0.1° |
| C1 | C5 | N6 | C27 | 178.7° | 180.0° |
| C1 | C5 | N6 | C4 | 0.6° | 0.1° |
| C5 | C1 | C2 | H1 | 179.7° | 180.0° |
| C5 | C1 | N7 | H3 | 5.8° | 119.6° |
| C2 | C1 | C5 | O28 | 179.6° | 180.0° |
| C2 | C1 | C5 | N6 | 1.0° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C1 | C2 | C3 | C8 | 178.5° | 179.9° |
| C2 | C1 | N7 | H3 | 173.5° | 60.1° |
| O28 | C5 | N6 | C27 | 1.9° | 0.1° |
| O28 | C5 | N6 | C4 | 180.0° | 180.0° |
| C5 | N6 | C27 | C4 | 178.0° | 179.9° |
| C5 | N6 | C4 | C3 | 0.4° | 0.1° |
| C5 | N6 | C4 | H2 | 179.6° | 180.0° |
| C5 | N6 | C27 | H14 | 180.0° | 0.0° |
| C5 | N6 | C27 | H15 | 60.0° | 120.1° |
| C5 | N6 | C27 | H16 | 60.0° | 119.9° |
| C2 | C3 | C4 | N6 | 1.0° | 0.0° |
| C2 | C3 | C4 | C8 | 178.0° | 180.0° |
| C2 | C3 | C8 | C9 | 47.0° | 104.7° |
| C2 | C3 | C8 | C13 | 134.0° | 75.0° |
| C2 | C3 | C4 | H2 | 179.0° | 180.0° |
| C27 | N6 | C4 | C3 | 177.5° | 180.0° |
| C27 | N6 | C4 | H2 | 2.5° | 0.1° |
| N6 | C27 | H14 | H15 | 120.0° | 120.0° |
| N6 | C27 | H14 | H16 | 120.0° | 120.0° |
| N6 | C27 | H15 | H16 | 120.0° | 120.0° |
| N6 | C4 | C3 | H2 | 180.0° | 179.9° |
| N6 | C4 | C3 | C8 | 179.0° | 179.9° |
| C4 | N6 | C27 | H14 | 2.0° | 179.9° |
| C4 | N6 | C27 | H15 | 118.0° | 60.0° |
| C4 | N6 | C27 | H16 | 122.0° | 60.0° |
| C4 | C3 | C8 | C9 | 130.9° | 75.2° |
| C4 | C3 | C8 | C13 | 48.0° | 105.1° |
| C4 | C3 | C2 | H1 | 179.4° | 180.0° |
| C3 | C8 | C9 | C13 | 179.0° | 179.7° |
| C3 | C8 | C9 | C10 | 178.1° | 180.0° |
| C3 | C8 | C13 | C25 | 3.9° | 0.0° |
| C3 | C8 | C13 | C12 | 178.4° | 179.7° |
| C8 | C3 | C2 | H1 | 1.4° | 0.0° |
| C8 | C3 | C4 | H2 | 1.0° | 0.0° |
| C3 | C8 | C9 | H4 | 2.0° | 0.0° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.8° | 0.0° |
| C9 | C8 | C13 | C25 | 177.2° | 179.7° |
| C9 | C8 | C13 | C12 | 0.5° | 0.6° |
| C8 | C9 | C10 | H5 | 179.2° | 180.0° |
| C10 | C9 | C8 | C13 | 1.0° | 0.3° |
| C9 | C10 | C11 | H5 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 2.9° | 0.0° |
| C9 | C10 | C11 | H6 | 177.1° | 180.0° |
| C8 | C13 | C25 | C12 | 177.6° | 179.7° |
| C8 | C13 | C25 | O26 | 93.5° | 89.9° |
| C8 | C13 | C12 | C11 | 1.7° | 0.6° |
| C8 | C13 | C12 | N14 | 179.3° | 179.6° |
| C13 | C8 | C9 | H4 | 179.0° | 179.7° |
| C8 | C13 | C25 | H11 | 146.1° | 150.1° |
| C8 | C13 | C25 | H12 | 26.8° | 30.1° |
| C10 | C11 | C12 | C13 | 3.5° | 0.3° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | N14 | 179.0° | 179.9° |
| C11 | C10 | C9 | H4 | 179.2° | 180.0° |
| C13 | C25 | O26 | H11 | 120.4° | 120.0° |
| C13 | C25 | O26 | H12 | 120.4° | 120.0° |
| C25 | C13 | C12 | C11 | 179.5° | 179.7° |
| C25 | C13 | C12 | N14 | 2.9° | 0.0° |
| C13 | C25 | H11 | H12 | 118.9° | 119.9° |
| C13 | C25 | O26 | H13 | 180.0° | 180.0° |
| C12 | C13 | C25 | O26 | 88.8° | 89.7° |
| C13 | C12 | C11 | N14 | 177.5° | 179.7° |
| C13 | C12 | N14 | C15 | 91.5° | 90.5° |
| C13 | C12 | N14 | C17 | 89.6° | 89.7° |
| C13 | C12 | C11 | H6 | 176.6° | 179.7° |
| C12 | C13 | C25 | H11 | 31.6° | 30.3° |
| C12 | C13 | C25 | H12 | 150.8° | 150.3° |
| O26 | C25 | H11 | H12 | 118.8° | 120.1° |
| C11 | C12 | N14 | C15 | 90.8° | 89.8° |
| C11 | C12 | N14 | C17 | 88.0° | 90.0° |
| C12 | C11 | C10 | H5 | 177.1° | 180.0° |
| C12 | N14 | C15 | C17 | 178.8° | 179.7° |
| C12 | N14 | C15 | C16 | 178.1° | 179.9° |
| C12 | N14 | C17 | O24 | 1.0° | 0.0° |
| C12 | N14 | C17 | C18 | 177.3° | 180.0° |
| N14 | C12 | C11 | H6 | 1.0° | 0.0° |
| C12 | N14 | C15 | H7 | 2.0° | 0.0° |
| N14 | C15 | C16 | H7 | 180.0° | 179.9° |
| N14 | C15 | C16 | C19 | 5.5° | 0.1° |
| C15 | N14 | C17 | O24 | 177.8° | 179.7° |
| C15 | N14 | C17 | C18 | 3.9° | 0.2° |
| N14 | C15 | C16 | H8 | 174.4° | 180.0° |
| C16 | C15 | N14 | C17 | 0.7° | 0.2° |
| C15 | C16 | C19 | H8 | 180.0° | 179.9° |
| C15 | C16 | C19 | C18 | 5.4° | 0.3° |
| C15 | C16 | C19 | C20 | 172.9° | 179.9° |
| N14 | C17 | O24 | C18 | 178.2° | 180.0° |
| N14 | C17 | C18 | C19 | 3.6° | 0.0° |
| N14 | C17 | C18 | C23 | 173.7° | 180.0° |
| C17 | N14 | C15 | H7 | 179.2° | 179.7° |
| C16 | C19 | C18 | C17 | 0.9° | 0.3° |
| C16 | C19 | C18 | C20 | 178.3° | 179.7° |
| C16 | C19 | C18 | C23 | 178.3° | 179.7° |
| C16 | C19 | C20 | C21 | 178.6° | 180.0° |
| C19 | C16 | C15 | H7 | 174.4° | 180.0° |
| C16 | C19 | C20 | H9 | 1.4° | 0.0° |
| O24 | C17 | C18 | C19 | 178.1° | 180.0° |
| O24 | C17 | C18 | C23 | 4.6° | 0.0° |
| C17 | C18 | C19 | C23 | 177.4° | 180.0° |
| C17 | C18 | C19 | C20 | 177.4° | 180.0° |
| C17 | C18 | C23 | F31 | 1.2° | 0.0° |
| C17 | C18 | C23 | C22 | 177.3° | 179.5° |
| C18 | C19 | C20 | C21 | 0.4° | 0.2° |
| C19 | C18 | C23 | F31 | 178.5° | 180.0° |
| C19 | C18 | C23 | C22 | 0.1° | 0.5° |
| C18 | C19 | C16 | H8 | 174.6° | 179.7° |
| C18 | C19 | C20 | H9 | 179.6° | 179.7° |
| C20 | C19 | C18 | C23 | 0.1° | 0.0° |
| C19 | C20 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C19 | C20 | C21 | C30 | 178.0° | 180.0° |
| C20 | C19 | C16 | H8 | 7.1° | 0.0° |
| C18 | C23 | F31 | C22 | 178.5° | 179.5° |
| C18 | C23 | C22 | C21 | 0.4° | 0.8° |
| C18 | C23 | C22 | H10 | 179.6° | 179.8° |
| C20 | C21 | C22 | C23 | 0.7° | 0.5° |
| C20 | C21 | C22 | C30 | 178.6° | 180.0° |
| C20 | C21 | C30 | C32 | 131.6° | 120.0° |
| C20 | C21 | C30 | C33 | 158.4° | 171.4° |
| C20 | C21 | C22 | H10 | 179.3° | 180.0° |
| C20 | C21 | C30 | H17 | 15.2° | 25.6° |
| F31 | C23 | C22 | C21 | 178.8° | 179.7° |
| F31 | C23 | C22 | H10 | 1.2° | 0.3° |
| C23 | C22 | C21 | H10 | 180.0° | 179.5° |
| C23 | C22 | C21 | C30 | 177.9° | 179.5° |
| C22 | C21 | C30 | C32 | 49.8° | 60.1° |
| C22 | C21 | C30 | C33 | 20.2° | 8.6° |
| C22 | C21 | C20 | H9 | 179.4° | 180.0° |
| C22 | C21 | C30 | H17 | 163.3° | 154.3° |
| C21 | C30 | C32 | C33 | 106.9° | 107.5° |
| C21 | C30 | C32 | H17 | 147.0° | 144.9° |
| C21 | C30 | C33 | H17 | 143.3° | 145.1° |
| C30 | C21 | C20 | H9 | 2.0° | 0.0° |
| C30 | C21 | C22 | H10 | 2.1° | 0.0° |
| C21 | C30 | C32 | H18 | 143.7° | 145.0° |
| C21 | C30 | C32 | H19 | 2.5° | 0.0° |
| C21 | C30 | C33 | H20 | 1.2° | 0.1° |
| C21 | C30 | C33 | H21 | 139.9° | 145.0° |
| C32 | C30 | C33 | H17 | 106.1° | 107.5° |
| C30 | C32 | C33 | H18 | 109.4° | 107.5° |
| C30 | C32 | C33 | H19 | 109.4° | 107.5° |
| C30 | C32 | H18 | H19 | 144.8° | 145.7° |
| C32 | C30 | C33 | H20 | 109.5° | 107.6° |
| C32 | C30 | C33 | H21 | 109.5° | 107.5° |
| C30 | C33 | H20 | H21 | 144.7° | 145.6° |
| C33 | C32 | H18 | H19 | 144.8° | 145.7° |
| C32 | C33 | H20 | H21 | 144.8° | 145.7° |
| H4 | C9 | C10 | H5 | 0.8° | 0.1° |
| H5 | C10 | C11 | H6 | 2.9° | 0.0° |
| H7 | C15 | C16 | H8 | 5.6° | 0.1° |
| H11 | C25 | O26 | H13 | 59.6° | 60.0° |
| H12 | C25 | O26 | H13 | 59.6° | 60.0° |
| H14 | C27 | H15 | H16 | 120.0° | 120.0° |
| H17 | C30 | C32 | H18 | 3.3° | 0.1° |
| H17 | C30 | C32 | H19 | 144.4° | 145.0° |
| H17 | C30 | C33 | H20 | 144.4° | 145.0° |
| H17 | C30 | C33 | H21 | 3.4° | 0.0° |
| H18 | C32 | C33 | H20 | 141.2° | 145.0° |
| H18 | C32 | C33 | H21 | 0.1° | 0.1° |
| H19 | C32 | C33 | H20 | 0.0° | 0.0° |
| H19 | C32 | C33 | H21 | 141.1° | 145.1° |
| H22 | C34 | C35 | H23 | 2.8° | 0.0° |
| H25 | C40 | C41 | H27 | 179.4° | 58.4° |
| H25 | C40 | C41 | H28 | 59.2° | 178.5° |
| H26 | C40 | C41 | H27 | 60.1° | 61.7° |
| H26 | C40 | C41 | H28 | 60.0° | 58.4° |
| H30 | C43 | C44 | H32 | 162.3° | 61.7° |
| H30 | C43 | C44 | H33 | 43.5° | 58.4° |
| H31 | C43 | C44 | H32 | 43.7° | 58.4° |
| H31 | C43 | C44 | H33 | 75.1° | 178.5° |
| H34 | C45 | C46 | H36 | 60.0° | 180.0° |
| H34 | C45 | C46 | H37 | 59.9° | 60.0° |
| H34 | C45 | C46 | H38 | 179.9° | 60.0° |
| H35 | C45 | C46 | H36 | 60.0° | 60.0° |
| H35 | C45 | C46 | H37 | 180.0° | 180.0° |
| H35 | C45 | C46 | H38 | 60.0° | 60.0° |
| H36 | C46 | H37 | H38 | 120.0° | 120.0° |
