VN6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N39 | C38 | trip | 1.14Å | 1.13Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | N7 | sing | 1.47Å | 1.42Å | |
| O16 | S13 | doub | 1.42Å | 1.43Å | |
| C38 | C1 | sing | 1.43Å | 1.41Å | |
| C11 | N12 | sing | 1.47Å | 1.52Å | |
| N2 | C1 | doub | 1.33Å | 1.32Å | Aromatic |
| N2 | C3 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| N12 | S13 | sing | 1.66Å | 1.67Å | |
| N12 | C9 | sing | 1.47Å | 1.50Å | |
| N7 | C3 | sing | 1.38Å | 1.38Å | |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| C3 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| S13 | O15 | doub | 1.42Å | 1.43Å | |
| S13 | C14 | sing | 1.76Å | 1.75Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | C37 | sing | 1.51Å | 1.53Å | |
| C17 | C14 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | N22 | sing | 1.40Å | 1.41Å | |
| N46 | C45 | sing | 1.47Å | 1.48Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| N22 | C23 | sing | 1.35Å | 1.37Å | |
| O36 | S33 | doub | 1.42Å | 1.43Å | |
| C23 | O24 | doub | 1.22Å | 1.24Å | |
| C23 | C25 | sing | 1.47Å | 1.55Å | |
| C44 | C43 | sing | 1.54Å | 1.52Å | |
| C44 | C42 | sing | 1.54Å | 1.52Å | |
| C43 | N41 | sing | 1.47Å | 1.49Å | |
| N41 | C42 | sing | 1.47Å | 1.49Å | |
| N41 | C40 | sing | 1.47Å | 1.44Å | |
| C26 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.43Å | Aromatic |
| S33 | O35 | doub | 1.42Å | 1.42Å | |
| S33 | C34 | sing | 1.81Å | 1.79Å | |
| S33 | N31 | sing | 1.66Å | 1.63Å | |
| C27 | C40 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | N31 | sing | 1.39Å | 1.45Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| N31 | C32 | sing | 1.47Å | 1.50Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C32 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C37 | H10 | sing | 1.09Å | 1.10Å | |
| C37 | H11 | sing | 1.09Å | 1.10Å | |
| C37 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C42 | H15 | sing | 1.09Å | 1.10Å | |
| C42 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| N22 | H27 | sing | 0.97Å | 1.00Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| N46 | H37 | sing | 1.01Å | 1.00Å | |
| N46 | H38 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N39 | C38 | C1 | 178.0° | 179.9° |
| C11 | C10 | N7 | 106.3° | 109.3° |
| C10 | C11 | N12 | 109.4° | 108.5° |
| C11 | C10 | H19 | 110.2° | 109.5° |
| C11 | C10 | H20 | 110.3° | 109.5° |
| C10 | C11 | H21 | 109.5° | 109.6° |
| C10 | C11 | H22 | 109.5° | 109.6° |
| C10 | N7 | C3 | 115.2° | 111.0° |
| C10 | N7 | C8 | 112.0° | 111.3° |
| N7 | C10 | H19 | 110.2° | 109.5° |
| N7 | C10 | H20 | 110.3° | 109.5° |
| O16 | S13 | N12 | 107.3° | 106.4° |
| O16 | S13 | O15 | 110.7° | 123.2° |
| O16 | S13 | C14 | 109.4° | 106.4° |
| C38 | C1 | N2 | 119.1° | 120.5° |
| C38 | C1 | C6 | 120.7° | 120.5° |
| C11 | N12 | S13 | 111.8° | 120.8° |
| C11 | N12 | C9 | 112.2° | 118.2° |
| N12 | C11 | H21 | 109.5° | 109.6° |
| N12 | C11 | H22 | 109.5° | 109.6° |
| C1 | N2 | C3 | 120.3° | 120.6° |
| N2 | C1 | C6 | 120.1° | 119.0° |
| N2 | C3 | N7 | 118.8° | 119.1° |
| N2 | C3 | N4 | 120.6° | 121.8° |
| C1 | C6 | C5 | 119.2° | 118.4° |
| C1 | C6 | H1 | 120.4° | 120.8° |
| S13 | N12 | C9 | 111.6° | 120.9° |
| N12 | S13 | O15 | 107.8° | 106.4° |
| N12 | S13 | C14 | 110.4° | 107.2° |
| N12 | C9 | C8 | 108.8° | 108.5° |
| N12 | C9 | H17 | 109.7° | 109.6° |
| N12 | C9 | H18 | 109.7° | 109.8° |
| C3 | N7 | C8 | 115.2° | 111.0° |
| N7 | C3 | N4 | 119.3° | 119.1° |
| N7 | C8 | C9 | 105.9° | 109.3° |
| N7 | C8 | H2 | 110.4° | 109.5° |
| N7 | C8 | H3 | 110.4° | 109.5° |
| C3 | N4 | C5 | 120.3° | 121.0° |
| C9 | C8 | H2 | 110.4° | 109.4° |
| C9 | C8 | H3 | 110.4° | 109.5° |
| C8 | C9 | H17 | 109.6° | 109.6° |
| C8 | C9 | H18 | 109.6° | 109.6° |
| O15 | S13 | C14 | 111.0° | 106.4° |
| S13 | C14 | C17 | 118.4° | 119.9° |
| S13 | C14 | C20 | 121.7° | 119.9° |
| C6 | C5 | N4 | 119.1° | 119.3° |
| C6 | C5 | C37 | 120.8° | 120.4° |
| C5 | C6 | H1 | 120.4° | 120.8° |
| N4 | C5 | C37 | 120.1° | 120.4° |
| C5 | C37 | H10 | 109.5° | 109.4° |
| C5 | C37 | H11 | 109.5° | 109.5° |
| C5 | C37 | H12 | 109.5° | 109.4° |
| C14 | C17 | C18 | 120.5° | 120.1° |
| C17 | C14 | C20 | 119.8° | 120.2° |
| C14 | C17 | H23 | 119.8° | 120.0° |
| C17 | C18 | C19 | 121.2° | 120.0° |
| C18 | C17 | H23 | 119.7° | 120.0° |
| C17 | C18 | H24 | 119.4° | 120.0° |
| C14 | C20 | C21 | 119.3° | 120.1° |
| C14 | C20 | H25 | 120.3° | 119.9° |
| C18 | C19 | C21 | 120.0° | 119.8° |
| C18 | C19 | N22 | 117.3° | 120.1° |
| C19 | C18 | H24 | 119.4° | 120.0° |
| C20 | C21 | C19 | 119.2° | 119.9° |
| C21 | C20 | H25 | 120.4° | 120.0° |
| C20 | C21 | H26 | 120.4° | 120.1° |
| C21 | C19 | N22 | 122.5° | 120.1° |
| C19 | C21 | H26 | 120.4° | 120.0° |
| C19 | N22 | C23 | 125.4° | 120.0° |
| C19 | N22 | H27 | 117.3° | 120.0° |
| N46 | C45 | C44 | 110.5° | 109.5° |
| N46 | C45 | H35 | 109.2° | 109.5° |
| N46 | C45 | H36 | 109.2° | 109.5° |
| C45 | N46 | H37 | 109.5° | 111.0° |
| C45 | N46 | H38 | 109.5° | 111.0° |
| C45 | C44 | C43 | 109.4° | 114.1° |
| C45 | C44 | C42 | 108.3° | 114.1° |
| C45 | C44 | H34 | 115.7° | 113.4° |
| C44 | C45 | H35 | 109.2° | 109.5° |
| C44 | C45 | H36 | 109.2° | 109.5° |
| N22 | C23 | O24 | 121.3° | 120.0° |
| N22 | C23 | C25 | 117.6° | 120.0° |
| C23 | N22 | H27 | 117.3° | 120.0° |
| O36 | S33 | O35 | 109.3° | 121.0° |
| O36 | S33 | C34 | 109.5° | 110.6° |
| O36 | S33 | N31 | 110.0° | 104.3° |
| O24 | C23 | C25 | 121.1° | 120.0° |
| C23 | C25 | C26 | 119.6° | 120.2° |
| C23 | C25 | C30 | 121.0° | 120.2° |
| C43 | C44 | C42 | 88.4° | 83.5° |
| C44 | C43 | N41 | 88.7° | 88.0° |
| C44 | C43 | H32 | 114.4° | 113.4° |
| C44 | C43 | H33 | 114.4° | 113.6° |
| C43 | C44 | H34 | 115.9° | 114.2° |
| C44 | C42 | N41 | 88.2° | 88.0° |
| C44 | C42 | H15 | 114.5° | 113.5° |
| C44 | C42 | H16 | 114.5° | 113.5° |
| C42 | C44 | H34 | 115.8° | 114.2° |
| C43 | N41 | C42 | 90.6° | 87.8° |
| C43 | N41 | C40 | 110.5° | 111.0° |
| N41 | C43 | H32 | 114.4° | 113.5° |
| N41 | C43 | H33 | 114.4° | 113.5° |
| C42 | N41 | C40 | 106.2° | 111.0° |
| N41 | C42 | H15 | 114.5° | 113.5° |
| N41 | C42 | H16 | 114.5° | 113.5° |
| N41 | C40 | C27 | 114.2° | 109.5° |
| N41 | C40 | H13 | 108.2° | 109.5° |
| N41 | C40 | H14 | 108.3° | 109.5° |
| C25 | C26 | C27 | 119.8° | 119.9° |
| C26 | C25 | C30 | 119.1° | 119.6° |
| C25 | C26 | H4 | 120.1° | 120.1° |
| C26 | C27 | C40 | 122.4° | 119.9° |
| C26 | C27 | C28 | 120.4° | 120.3° |
| C27 | C26 | H4 | 120.1° | 120.0° |
| C25 | C30 | N31 | 120.5° | 120.1° |
| C25 | C30 | C29 | 119.8° | 119.7° |
| O35 | S33 | C34 | 110.8° | 110.5° |
| O35 | S33 | N31 | 107.8° | 104.3° |
| C34 | S33 | N31 | 109.4° | 104.5° |
| S33 | C34 | H28 | 109.5° | 109.4° |
| S33 | C34 | H29 | 109.5° | 109.4° |
| S33 | C34 | H30 | 109.5° | 109.5° |
| S33 | N31 | C30 | 111.5° | 120.0° |
| S33 | N31 | C32 | 110.0° | 120.0° |
| C40 | C27 | C28 | 117.1° | 119.8° |
| C27 | C40 | H13 | 108.3° | 109.5° |
| C27 | C40 | H14 | 108.3° | 109.4° |
| C27 | C28 | C29 | 120.5° | 120.4° |
| C27 | C28 | H5 | 119.7° | 119.8° |
| N31 | C30 | C29 | 119.5° | 120.2° |
| C30 | N31 | C32 | 110.6° | 120.0° |
| C30 | C29 | C28 | 120.3° | 120.1° |
| C30 | C29 | H6 | 119.8° | 120.0° |
| N31 | C32 | H7 | 109.5° | 109.4° |
| N31 | C32 | H8 | 109.4° | 109.4° |
| N31 | C32 | H9 | 109.4° | 109.5° |
| C29 | C28 | H5 | 119.7° | 119.8° |
| C28 | C29 | H6 | 119.8° | 119.9° |
| H2 | C8 | H3 | 109.4° | 109.6° |
| H7 | C32 | H8 | 109.5° | 109.5° |
| H7 | C32 | H9 | 109.5° | 109.5° |
| H8 | C32 | H9 | 109.5° | 109.4° |
| H10 | C37 | H11 | 109.5° | 109.5° |
| H10 | C37 | H12 | 109.4° | 109.5° |
| H11 | C37 | H12 | 109.5° | 109.5° |
| H13 | C40 | H14 | 109.5° | 109.4° |
| H15 | C42 | H16 | 109.5° | 112.7° |
| H17 | C9 | H18 | 109.4° | 109.7° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.4° | 109.8° |
| H28 | C34 | H29 | 109.5° | 109.5° |
| H28 | C34 | H30 | 109.4° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H32 | C43 | H33 | 109.4° | 112.8° |
| H35 | C45 | H36 | 109.4° | 109.5° |
| H37 | N46 | H38 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N39 | C38 | C1 | N2 | 10.1° | 48.5° |
| N39 | C38 | C1 | C6 | 169.7° | 131.5° |
| C11 | C10 | N7 | H19 | 119.5° | 120.0° |
| C11 | C10 | N7 | H20 | 119.5° | 119.9° |
| C10 | C11 | N12 | H21 | 120.0° | 119.7° |
| C10 | C11 | N12 | H22 | 120.0° | 119.7° |
| C10 | C11 | N12 | S13 | 179.1° | 128.8° |
| C10 | C11 | N12 | C9 | 52.9° | 51.2° |
| C11 | C10 | N7 | C3 | 157.7° | 172.8° |
| C11 | C10 | N7 | C8 | 68.1° | 63.1° |
| C11 | C10 | H19 | H20 | 121.5° | 120.1° |
| C10 | C11 | H21 | H22 | 120.0° | 120.5° |
| N7 | C10 | C11 | N12 | 56.6° | 53.8° |
| C10 | N7 | C3 | N2 | 35.8° | 124.3° |
| C10 | N7 | C3 | C8 | 132.8° | 124.3° |
| C10 | N7 | C3 | N4 | 157.5° | 56.0° |
| C10 | N7 | C8 | C9 | 70.2° | 63.1° |
| C10 | N7 | C8 | H2 | 170.3° | 177.0° |
| C10 | N7 | C8 | H3 | 49.3° | 56.8° |
| N7 | C10 | H19 | H20 | 121.5° | 120.0° |
| N7 | C10 | C11 | H21 | 176.6° | 173.5° |
| N7 | C10 | C11 | H22 | 63.4° | 65.9° |
| O16 | S13 | N12 | C11 | 59.0° | 23.5° |
| O16 | S13 | N12 | O15 | 119.3° | 133.0° |
| O16 | S13 | N12 | C14 | 119.2° | 113.5° |
| O16 | S13 | N12 | C9 | 174.4° | 156.5° |
| O16 | S13 | O15 | C14 | 121.7° | 123.0° |
| O16 | S13 | C14 | C17 | 26.5° | 23.7° |
| O16 | S13 | C14 | C20 | 154.9° | 156.5° |
| C38 | C1 | N2 | C6 | 179.9° | 180.0° |
| C38 | C1 | N2 | C3 | 177.3° | 180.0° |
| C38 | C1 | C6 | C5 | 179.0° | 180.0° |
| C38 | C1 | C6 | H1 | 1.0° | 0.0° |
| C11 | N12 | S13 | C9 | 126.6° | 180.0° |
| C11 | N12 | C9 | C8 | 54.8° | 51.2° |
| C11 | N12 | S13 | O15 | 178.3° | 156.5° |
| C11 | N12 | S13 | C14 | 60.2° | 90.0° |
| C11 | N12 | C9 | H17 | 174.7° | 68.5° |
| C11 | N12 | C9 | H18 | 65.1° | 171.0° |
| N12 | C11 | C10 | H19 | 176.1° | 66.1° |
| N12 | C11 | C10 | H20 | 62.9° | 173.7° |
| N12 | C11 | H21 | H22 | 120.0° | 120.5° |
| C1 | N2 | C3 | N7 | 173.1° | 180.0° |
| C1 | N2 | C3 | N4 | 6.5° | 0.3° |
| N2 | C1 | C6 | C5 | 0.9° | 0.0° |
| N2 | C1 | C6 | H1 | 179.2° | 180.0° |
| C3 | N2 | C1 | C6 | 2.9° | 0.0° |
| N2 | C3 | N7 | N4 | 166.8° | 179.7° |
| N2 | C3 | N7 | C8 | 168.6° | 0.0° |
| N2 | C3 | N4 | C5 | 6.4° | 0.5° |
| C1 | C6 | C5 | H1 | 180.0° | 180.0° |
| C1 | C6 | C5 | N4 | 1.0° | 0.3° |
| C1 | C6 | C5 | C37 | 179.0° | 180.0° |
| S13 | N12 | C9 | C8 | 178.8° | 128.8° |
| N12 | S13 | O15 | C14 | 121.1° | 114.0° |
| N12 | S13 | C14 | C17 | 91.4° | 89.8° |
| N12 | S13 | C14 | C20 | 87.2° | 90.0° |
| S13 | N12 | C9 | H17 | 58.9° | 111.5° |
| S13 | N12 | C9 | H18 | 61.3° | 9.1° |
| S13 | N12 | C11 | H21 | 60.9° | 9.1° |
| S13 | N12 | C11 | H22 | 59.1° | 111.5° |
| N12 | C9 | C8 | N7 | 60.0° | 53.9° |
| N12 | C9 | C8 | H17 | 119.9° | 119.7° |
| N12 | C9 | C8 | H18 | 119.9° | 119.8° |
| C9 | N12 | S13 | O15 | 55.1° | 23.5° |
| C9 | N12 | S13 | C14 | 66.3° | 89.9° |
| N12 | C9 | C8 | H2 | 179.5° | 173.8° |
| N12 | C9 | C8 | H3 | 59.4° | 66.1° |
| N12 | C9 | H17 | H18 | 120.3° | 120.6° |
| C9 | N12 | C11 | H21 | 172.9° | 170.9° |
| C9 | N12 | C11 | H22 | 67.1° | 68.5° |
| C3 | N7 | C8 | C9 | 155.5° | 172.7° |
| N7 | C3 | N4 | C5 | 172.9° | 179.7° |
| C3 | N7 | C8 | H2 | 36.1° | 52.8° |
| C3 | N7 | C8 | H3 | 85.0° | 67.4° |
| C3 | N7 | C10 | H19 | 38.2° | 67.3° |
| C3 | N7 | C10 | H20 | 82.8° | 52.8° |
| C8 | N7 | C3 | N4 | 24.7° | 179.7° |
| N7 | C8 | C9 | H2 | 119.5° | 120.0° |
| N7 | C8 | C9 | H3 | 119.5° | 119.9° |
| N7 | C8 | H2 | H3 | 121.6° | 120.1° |
| N7 | C8 | C9 | H17 | 179.9° | 65.8° |
| N7 | C8 | C9 | H18 | 59.9° | 173.7° |
| C8 | N7 | C10 | H19 | 172.5° | 56.9° |
| C8 | N7 | C10 | H20 | 51.5° | 176.9° |
| C3 | N4 | C5 | C6 | 2.5° | 0.5° |
| C3 | N4 | C5 | C37 | 177.4° | 179.7° |
| C9 | C8 | H2 | H3 | 121.6° | 120.0° |
| C8 | C9 | H17 | H18 | 120.3° | 120.4° |
| O15 | S13 | C14 | C17 | 149.0° | 156.7° |
| O15 | S13 | C14 | C20 | 32.4° | 23.5° |
| S13 | C14 | C17 | C20 | 178.6° | 179.8° |
| S13 | C14 | C17 | C18 | 179.9° | 180.0° |
| S13 | C14 | C20 | C21 | 178.7° | 179.7° |
| S13 | C14 | C17 | H23 | 0.1° | 0.1° |
| S13 | C14 | C20 | H25 | 1.3° | 0.0° |
| C6 | C5 | N4 | C37 | 180.0° | 179.7° |
| C6 | C5 | C37 | H10 | 180.0° | 90.0° |
| C6 | C5 | C37 | H11 | 60.0° | 150.0° |
| C6 | C5 | C37 | H12 | 60.0° | 30.0° |
| N4 | C5 | C6 | H1 | 179.0° | 179.7° |
| N4 | C5 | C37 | H10 | 0.0° | 89.7° |
| N4 | C5 | C37 | H11 | 120.0° | 30.2° |
| N4 | C5 | C37 | H12 | 120.0° | 150.3° |
| C37 | C5 | C6 | H1 | 1.0° | 0.0° |
| C5 | C37 | H10 | H11 | 120.0° | 119.9° |
| C5 | C37 | H10 | H12 | 120.0° | 120.0° |
| C5 | C37 | H11 | H12 | 120.0° | 120.0° |
| C14 | C17 | C18 | H23 | 180.0° | 179.9° |
| C14 | C17 | C18 | C19 | 0.7° | 0.1° |
| C17 | C14 | C20 | C21 | 0.2° | 0.5° |
| C14 | C17 | C18 | H24 | 179.3° | 180.0° |
| C17 | C14 | C20 | H25 | 179.8° | 179.8° |
| C18 | C17 | C14 | C20 | 1.3° | 0.2° |
| C17 | C18 | C19 | H24 | 180.0° | 179.9° |
| C17 | C18 | C19 | C21 | 1.1° | 0.0° |
| C17 | C18 | C19 | N22 | 176.3° | 180.0° |
| C14 | C20 | C21 | H25 | 180.0° | 179.7° |
| C14 | C20 | C21 | C19 | 1.6° | 0.5° |
| C20 | C14 | C17 | H23 | 178.7° | 179.7° |
| C14 | C20 | C21 | H26 | 178.5° | 179.7° |
| C18 | C19 | C21 | C20 | 2.2° | 0.3° |
| C18 | C19 | C21 | N22 | 175.0° | 180.0° |
| C18 | C19 | N22 | C23 | 163.0° | 146.7° |
| C19 | C18 | C17 | H23 | 179.3° | 180.0° |
| C18 | C19 | C21 | H26 | 177.8° | 180.0° |
| C18 | C19 | N22 | H27 | 17.0° | 33.3° |
| C20 | C21 | C19 | H26 | 180.0° | 179.8° |
| C20 | C21 | C19 | N22 | 177.2° | 179.7° |
| C21 | C19 | N22 | C23 | 21.9° | 33.3° |
| C21 | C19 | C18 | H24 | 178.9° | 180.0° |
| C19 | C21 | C20 | H25 | 178.4° | 179.7° |
| C21 | C19 | N22 | H27 | 158.1° | 146.7° |
| C19 | N22 | C23 | H27 | 180.0° | 180.0° |
| C19 | N22 | C23 | O24 | 1.2° | 5.3° |
| C19 | N22 | C23 | C25 | 179.4° | 174.8° |
| N22 | C19 | C18 | H24 | 3.7° | 0.0° |
| N22 | C19 | C21 | H26 | 2.9° | 0.0° |
| N46 | C45 | C44 | H35 | 120.1° | 120.0° |
| N46 | C45 | C44 | H36 | 120.2° | 120.0° |
| N46 | C45 | C44 | C43 | 145.9° | 175.0° |
| N46 | C45 | C44 | C42 | 119.2° | 91.3° |
| N46 | C45 | C44 | H34 | 12.7° | 41.9° |
| N46 | C45 | H35 | H36 | 119.5° | 120.0° |
| C45 | N46 | H37 | H38 | 120.0° | 123.9° |
| C45 | C44 | C43 | C42 | 108.8° | 113.6° |
| C45 | C44 | C43 | H34 | 133.1° | 132.8° |
| C45 | C44 | C42 | H34 | 131.9° | 132.8° |
| C45 | C44 | C43 | N41 | 93.8° | 87.6° |
| C45 | C44 | C42 | N41 | 95.0° | 87.6° |
| C45 | C44 | C42 | H15 | 148.8° | 27.2° |
| C45 | C44 | C42 | H16 | 21.2° | 157.5° |
| C45 | C44 | C43 | H32 | 22.6° | 157.7° |
| C45 | C44 | C43 | H33 | 149.9° | 27.2° |
| C44 | C45 | H35 | H36 | 119.5° | 120.0° |
| C44 | C45 | N46 | H37 | 180.0° | 180.0° |
| C44 | C45 | N46 | H38 | 60.0° | 56.1° |
| N22 | C23 | O24 | C25 | 179.3° | 180.0° |
| N22 | C23 | C25 | C26 | 46.0° | 0.0° |
| N22 | C23 | C25 | C30 | 128.3° | 180.0° |
| O36 | S33 | O35 | C34 | 120.8° | 131.5° |
| O36 | S33 | O35 | N31 | 119.5° | 116.7° |
| O36 | S33 | C34 | N31 | 120.6° | 111.6° |
| O36 | S33 | N31 | C30 | 52.5° | 26.1° |
| O36 | S33 | N31 | C32 | 175.6° | 153.9° |
| O36 | S33 | C34 | H28 | 180.0° | 68.4° |
| O36 | S33 | C34 | H29 | 60.0° | 51.6° |
| O36 | S33 | C34 | H30 | 60.0° | 171.6° |
| O24 | C23 | C25 | C26 | 133.4° | 180.0° |
| O24 | C23 | C25 | C30 | 52.3° | 0.0° |
| O24 | C23 | N22 | H27 | 178.8° | 174.7° |
| C23 | C25 | C26 | C30 | 174.5° | 180.0° |
| C23 | C25 | C26 | C27 | 177.1° | 180.0° |
| C23 | C25 | C30 | N31 | 7.4° | 0.1° |
| C23 | C25 | C30 | C29 | 178.4° | 179.9° |
| C23 | C25 | C26 | H4 | 2.9° | 0.3° |
| C25 | C23 | N22 | H27 | 0.6° | 5.3° |
| C43 | C44 | C42 | H34 | 118.2° | 113.7° |
| C44 | C43 | N41 | H32 | 116.3° | 114.7° |
| C44 | C43 | N41 | H33 | 116.3° | 114.9° |
| C43 | C44 | C42 | N41 | 14.9° | 26.0° |
| C44 | C43 | N41 | C40 | 122.9° | 138.6° |
| C43 | C44 | C42 | H15 | 101.3° | 140.8° |
| C43 | C44 | C42 | H16 | 131.1° | 88.9° |
| C44 | C43 | H32 | H33 | 129.8° | 130.8° |
| C43 | C44 | C45 | H35 | 94.0° | 55.0° |
| C43 | C44 | C45 | H36 | 25.7° | 64.9° |
| C44 | C42 | N41 | H15 | 116.2° | 114.8° |
| C44 | C42 | N41 | H16 | 116.2° | 114.8° |
| C44 | C42 | N41 | C40 | 126.8° | 138.7° |
| C44 | C42 | H15 | H16 | 130.1° | 130.7° |
| C42 | C44 | C43 | H32 | 131.4° | 88.8° |
| C42 | C44 | C43 | H33 | 101.3° | 140.8° |
| C42 | C44 | C45 | H35 | 0.9° | 148.8° |
| C42 | C44 | C45 | H36 | 120.6° | 28.8° |
| C43 | N41 | C42 | C40 | 111.5° | 111.7° |
| C43 | N41 | C40 | C27 | 78.7° | 94.0° |
| C43 | N41 | C40 | H13 | 42.0° | 146.0° |
| C43 | N41 | C40 | H14 | 160.6° | 26.0° |
| C43 | N41 | C42 | H15 | 100.9° | 141.8° |
| C43 | N41 | C42 | H16 | 131.5° | 87.8° |
| N41 | C43 | H32 | H33 | 129.9° | 130.8° |
| N41 | C43 | C44 | H34 | 133.1° | 139.7° |
| C42 | N41 | C40 | C27 | 175.7° | 170.0° |
| C42 | N41 | C40 | H13 | 55.0° | 50.0° |
| C42 | N41 | C40 | H14 | 63.6° | 70.0° |
| N41 | C42 | H15 | H16 | 130.1° | 130.8° |
| C42 | N41 | C43 | H32 | 131.6° | 87.7° |
| C42 | N41 | C43 | H33 | 101.0° | 141.8° |
| N41 | C42 | C44 | H34 | 133.1° | 139.6° |
| N41 | C40 | C27 | C26 | 56.6° | 90.0° |
| N41 | C40 | C27 | H13 | 120.7° | 120.1° |
| N41 | C40 | C27 | H14 | 120.7° | 120.0° |
| N41 | C40 | C27 | C28 | 126.2° | 90.1° |
| N41 | C40 | H13 | H14 | 117.8° | 120.0° |
| C40 | N41 | C42 | H15 | 10.6° | 106.5° |
| C40 | N41 | C42 | H16 | 117.0° | 23.9° |
| C40 | N41 | C43 | H32 | 120.8° | 23.9° |
| C40 | N41 | C43 | H33 | 6.6° | 106.5° |
| C25 | C26 | C27 | H4 | 180.0° | 179.7° |
| C25 | C26 | C27 | C40 | 176.8° | 180.0° |
| C25 | C26 | C27 | C28 | 0.3° | 0.1° |
| C26 | C25 | C30 | N31 | 178.2° | 179.9° |
| C26 | C25 | C30 | C29 | 4.1° | 0.1° |
| C27 | C26 | C25 | C30 | 2.6° | 0.0° |
| C26 | C27 | C40 | C28 | 177.2° | 180.0° |
| C26 | C27 | C28 | C29 | 0.7° | 0.0° |
| C26 | C27 | C28 | H5 | 179.3° | 179.9° |
| C26 | C27 | C40 | H13 | 177.2° | 149.9° |
| C26 | C27 | C40 | H14 | 64.2° | 30.0° |
| C25 | C30 | N31 | S33 | 86.9° | 84.9° |
| C25 | C30 | N31 | C29 | 174.2° | 179.9° |
| C25 | C30 | N31 | C32 | 150.4° | 95.1° |
| C25 | C30 | C29 | C28 | 3.1° | 0.1° |
| C30 | C25 | C26 | H4 | 177.4° | 179.7° |
| C25 | C30 | C29 | H6 | 176.9° | 179.9° |
| O35 | S33 | C34 | N31 | 118.8° | 111.6° |
| O35 | S33 | N31 | C30 | 171.6° | 154.0° |
| O35 | S33 | N31 | C32 | 65.4° | 26.1° |
| O35 | S33 | C34 | H28 | 59.4° | 68.4° |
| O35 | S33 | C34 | H29 | 60.6° | 171.6° |
| O35 | S33 | C34 | H30 | 179.4° | 51.6° |
| C34 | S33 | N31 | C30 | 67.8° | 90.0° |
| C34 | S33 | N31 | C32 | 55.3° | 90.0° |
| S33 | C34 | H28 | H29 | 120.0° | 120.0° |
| S33 | C34 | H28 | H30 | 120.0° | 120.0° |
| S33 | C34 | H29 | H30 | 120.0° | 120.0° |
| S33 | N31 | C30 | C32 | 122.7° | 179.9° |
| S33 | N31 | C30 | C29 | 99.0° | 94.9° |
| S33 | N31 | C32 | H7 | 180.0° | 90.0° |
| S33 | N31 | C32 | H8 | 60.0° | 30.0° |
| S33 | N31 | C32 | H9 | 60.0° | 149.9° |
| N31 | S33 | C34 | H28 | 59.4° | 180.0° |
| N31 | S33 | C34 | H29 | 179.4° | 60.0° |
| N31 | S33 | C34 | H30 | 60.6° | 60.0° |
| C40 | C27 | C28 | C29 | 178.0° | 180.0° |
| C40 | C27 | C26 | H4 | 3.2° | 0.3° |
| C40 | C27 | C28 | H5 | 2.0° | 0.0° |
| C27 | C40 | H13 | H14 | 117.8° | 119.9° |
| C27 | C28 | C29 | C30 | 0.7° | 0.1° |
| C27 | C28 | C29 | H5 | 180.0° | 180.0° |
| C28 | C27 | C26 | H4 | 179.7° | 179.7° |
| C27 | C28 | C29 | H6 | 179.3° | 180.0° |
| C28 | C27 | C40 | H13 | 5.6° | 30.0° |
| C28 | C27 | C40 | H14 | 113.1° | 149.9° |
| N31 | C30 | C29 | C28 | 177.3° | 180.0° |
| N31 | C30 | C29 | H6 | 2.7° | 0.1° |
| C30 | N31 | C32 | H7 | 56.4° | 90.0° |
| C30 | N31 | C32 | H8 | 176.4° | 150.0° |
| C30 | N31 | C32 | H9 | 63.6° | 30.0° |
| C29 | C30 | N31 | C32 | 23.7° | 85.0° |
| C30 | C29 | C28 | H6 | 180.0° | 180.0° |
| C30 | C29 | C28 | H5 | 179.3° | 180.0° |
| N31 | C32 | H7 | H8 | 120.0° | 120.0° |
| N31 | C32 | H7 | H9 | 120.0° | 120.0° |
| N31 | C32 | H8 | H9 | 120.0° | 120.0° |
| H2 | C8 | C9 | H17 | 60.6° | 54.1° |
| H2 | C8 | C9 | H18 | 59.6° | 66.3° |
| H3 | C8 | C9 | H17 | 60.5° | 174.2° |
| H3 | C8 | C9 | H18 | 179.3° | 53.8° |
| H5 | C28 | C29 | H6 | 0.7° | 0.0° |
| H7 | C32 | H8 | H9 | 120.0° | 120.1° |
| H10 | C37 | H11 | H12 | 120.0° | 120.1° |
| H15 | C42 | C44 | H34 | 16.9° | 105.6° |
| H16 | C42 | C44 | H34 | 110.7° | 24.8° |
| H19 | C10 | C11 | H21 | 63.9° | 53.6° |
| H19 | C10 | C11 | H22 | 56.1° | 174.2° |
| H20 | C10 | C11 | H21 | 57.1° | 66.6° |
| H20 | C10 | C11 | H22 | 177.1° | 54.1° |
| H23 | C17 | C18 | H24 | 0.7° | 0.1° |
| H25 | C20 | C21 | H26 | 1.6° | 0.0° |
| H28 | C34 | H29 | H30 | 120.0° | 120.1° |
| H32 | C43 | C44 | H34 | 110.5° | 24.9° |
| H33 | C43 | C44 | H34 | 16.8° | 105.5° |
| H34 | C44 | C45 | H35 | 132.8° | 78.1° |
| H34 | C44 | C45 | H36 | 107.5° | 161.9° |
| H35 | C45 | N46 | H37 | 59.8° | 60.0° |
| H35 | C45 | N46 | H38 | 60.2° | 176.1° |
| H36 | C45 | N46 | H37 | 59.8° | 60.0° |
| H36 | C45 | N46 | H38 | 179.8° | 63.9° |
