TVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C32 | sing | 1.74Å | 1.76Å | |
| C32 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| CL1 | C12 | sing | 1.74Å | 1.75Å | |
| F23 | C22 | sing | 1.35Å | 1.35Å | |
| C21 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C20 | sing | 1.51Å | 1.53Å | |
| C25 | O28 | sing | 1.43Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C29 | C6 | sing | 1.51Å | 1.55Å | |
| C22 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C6 | sing | 1.51Å | 1.51Å | |
| C24 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | N15 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | O5 | sing | 1.43Å | 1.42Å | |
| C6 | N7 | sing | 1.47Å | 1.45Å | |
| C18 | C16 | sing | 1.48Å | 1.47Å | |
| C9 | N15 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| O5 | C4 | sing | 1.43Å | 1.45Å | |
| N7 | C16 | sing | 1.34Å | 1.36Å | |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| C16 | O17 | doub | 1.22Å | 1.22Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C37 | C3 | sing | 1.53Å | 1.49Å | |
| C37 | C36 | sing | 1.53Å | 1.50Å | |
| C3 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C36 | sing | 1.53Å | 1.49Å | |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C10 | H45 | sing | 1.08Å | 1.08Å | |
| C11 | H46 | sing | 1.08Å | 1.08Å | |
| C14 | H47 | sing | 1.08Å | 1.08Å | |
| C19 | H48 | sing | 1.08Å | 1.08Å | |
| C21 | H49 | sing | 1.08Å | 1.08Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.08Å | 1.08Å | |
| C35 | H60 | sing | 1.08Å | 1.08Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| O2 | H42 | sing | 0.97Å | 0.95Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| O28 | H56 | sing | 0.97Å | 0.95Å | |
| C30 | H57 | sing | 1.08Å | 1.08Å | |
| C34 | H59 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C32 | C31 | 119.0° | 120.0° |
| CL2 | C32 | C34 | 119.6° | 120.1° |
| C31 | C32 | C34 | 121.3° | 119.9° |
| C32 | C31 | C30 | 119.2° | 120.0° |
| C32 | C31 | H58 | 120.4° | 120.0° |
| C32 | C34 | C35 | 119.2° | 120.0° |
| C32 | C34 | H59 | 120.4° | 120.0° |
| C31 | C30 | C29 | 121.5° | 120.0° |
| C30 | C31 | H58 | 120.4° | 120.0° |
| C31 | C30 | H57 | 119.3° | 120.0° |
| C27 | C25 | C20 | 110.2° | 109.5° |
| C27 | C25 | O28 | 105.3° | 109.5° |
| C27 | C25 | C26 | 109.9° | 109.5° |
| C25 | C27 | H53 | 109.5° | 109.5° |
| C25 | C27 | H55 | 109.5° | 109.5° |
| C25 | C27 | H54 | 109.5° | 109.5° |
| C34 | C35 | C29 | 121.1° | 120.0° |
| C34 | C35 | H60 | 119.5° | 120.0° |
| C35 | C34 | H59 | 120.4° | 120.0° |
| C30 | C29 | C35 | 117.6° | 120.0° |
| C30 | C29 | C6 | 120.1° | 120.0° |
| C29 | C30 | H57 | 119.2° | 120.0° |
| CL1 | C12 | C11 | 118.7° | 120.4° |
| CL1 | C12 | C14 | 122.2° | 120.5° |
| F23 | C22 | C21 | 119.7° | 120.0° |
| F23 | C22 | C24 | 118.6° | 120.1° |
| C22 | C21 | C20 | 120.9° | 120.2° |
| C21 | C22 | C24 | 121.7° | 119.9° |
| C22 | C21 | H49 | 119.6° | 119.9° |
| C21 | C20 | C25 | 121.4° | 119.8° |
| C21 | C20 | C19 | 117.6° | 120.3° |
| C20 | C21 | H49 | 119.5° | 119.9° |
| C35 | C29 | C6 | 122.1° | 120.0° |
| C29 | C35 | H60 | 119.4° | 120.0° |
| C20 | C25 | O28 | 104.6° | 109.5° |
| C20 | C25 | C26 | 114.5° | 109.5° |
| C25 | C20 | C19 | 120.9° | 119.9° |
| O28 | C25 | C26 | 111.9° | 109.4° |
| C25 | O28 | H56 | 109.5° | 114.0° |
| C25 | C26 | H50 | 109.5° | 109.5° |
| C25 | C26 | H52 | 109.4° | 109.5° |
| C25 | C26 | H51 | 109.5° | 109.5° |
| C29 | C6 | C24 | 107.7° | 110.1° |
| C29 | C6 | O5 | 104.2° | 110.1° |
| C29 | C6 | N7 | 108.1° | 110.1° |
| C22 | C24 | C6 | 133.1° | 133.2° |
| C22 | C24 | C18 | 117.5° | 120.3° |
| C12 | C11 | C10 | 119.1° | 118.4° |
| C11 | C12 | C14 | 119.0° | 119.1° |
| C12 | C11 | H46 | 120.4° | 120.8° |
| C11 | C10 | C9 | 119.1° | 119.2° |
| C11 | C10 | H45 | 120.4° | 120.4° |
| C10 | C11 | H46 | 120.5° | 120.8° |
| C12 | C14 | N15 | 122.2° | 120.8° |
| C12 | C14 | H47 | 118.9° | 119.6° |
| C20 | C19 | C18 | 120.9° | 119.9° |
| C20 | C19 | H48 | 119.6° | 120.0° |
| C6 | C24 | C18 | 109.2° | 106.4° |
| C24 | C6 | O5 | 117.8° | 110.0° |
| C24 | C6 | N7 | 101.9° | 106.2° |
| C24 | C18 | C19 | 121.4° | 119.4° |
| C24 | C18 | C16 | 108.9° | 108.3° |
| C10 | C9 | N15 | 122.4° | 120.8° |
| C10 | C9 | C8 | 121.2° | 119.5° |
| C9 | C10 | H45 | 120.4° | 120.5° |
| C19 | C18 | C16 | 129.7° | 132.3° |
| C18 | C19 | H48 | 119.5° | 120.1° |
| C14 | N15 | C9 | 118.0° | 121.7° |
| N15 | C14 | H47 | 118.9° | 119.6° |
| O5 | C6 | N7 | 116.7° | 110.1° |
| C6 | O5 | C4 | 112.3° | 114.0° |
| C6 | N7 | C16 | 113.6° | 108.8° |
| C6 | N7 | C8 | 123.4° | 125.6° |
| C18 | C16 | N7 | 106.3° | 110.3° |
| C18 | C16 | O17 | 128.1° | 124.8° |
| N15 | C9 | C8 | 116.4° | 119.6° |
| C9 | C8 | N7 | 117.0° | 109.5° |
| C9 | C8 | H43 | 107.5° | 109.5° |
| C9 | C8 | H44 | 107.5° | 109.4° |
| O5 | C4 | C3 | 109.3° | 109.5° |
| O5 | C4 | H40 | 109.5° | 109.5° |
| O5 | C4 | H41 | 109.5° | 109.5° |
| C16 | N7 | C8 | 122.9° | 125.6° |
| N7 | C16 | O17 | 125.7° | 124.9° |
| N7 | C8 | H43 | 107.6° | 109.5° |
| N7 | C8 | H44 | 107.5° | 109.4° |
| C4 | C3 | C37 | 119.0° | 117.5° |
| C4 | C3 | C1 | 112.5° | 115.6° |
| C4 | C3 | C36 | 117.6° | 117.5° |
| C3 | C4 | H40 | 109.5° | 109.4° |
| C3 | C4 | H41 | 109.5° | 109.4° |
| C3 | C37 | C36 | 60.1° | 60.0° |
| C37 | C3 | C1 | 119.1° | 117.4° |
| C37 | C3 | C36 | 60.1° | 60.0° |
| C3 | C37 | H64 | 120.0° | 117.5° |
| C3 | C37 | H63 | 120.0° | 117.5° |
| C37 | C36 | C3 | 59.8° | 60.0° |
| C37 | C36 | H61 | 120.0° | 117.5° |
| C37 | C36 | H62 | 120.0° | 117.5° |
| C36 | C37 | H64 | 120.0° | 117.5° |
| C36 | C37 | H63 | 120.0° | 117.5° |
| C1 | C3 | C36 | 119.3° | 117.5° |
| C3 | C1 | O2 | 112.7° | 109.5° |
| C3 | C1 | H38 | 108.7° | 109.5° |
| C3 | C1 | H39 | 108.7° | 109.4° |
| C3 | C36 | H61 | 120.0° | 117.5° |
| C3 | C36 | H62 | 120.0° | 117.5° |
| O2 | C1 | H38 | 108.7° | 109.5° |
| O2 | C1 | H39 | 108.7° | 109.5° |
| C1 | O2 | H42 | 109.5° | 114.0° |
| H38 | C1 | H39 | 109.5° | 109.5° |
| H43 | C8 | H44 | 109.5° | 109.5° |
| H50 | C26 | H52 | 109.4° | 109.5° |
| H50 | C26 | H51 | 109.5° | 109.4° |
| H52 | C26 | H51 | 109.5° | 109.5° |
| H53 | C27 | H55 | 109.5° | 109.5° |
| H53 | C27 | H54 | 109.5° | 109.5° |
| H55 | C27 | H54 | 109.5° | 109.5° |
| H61 | C36 | H62 | 109.5° | 115.6° |
| H64 | C37 | H63 | 109.5° | 115.6° |
| H40 | C4 | H41 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C32 | C31 | C34 | 177.5° | 180.0° |
| CL2 | C32 | C31 | C30 | 176.7° | 180.0° |
| CL2 | C32 | C34 | C35 | 177.3° | 180.0° |
| CL2 | C32 | C31 | H58 | 3.3° | 0.3° |
| CL2 | C32 | C34 | H59 | 2.7° | 0.0° |
| C32 | C31 | C30 | H58 | 180.0° | 179.7° |
| C31 | C32 | C34 | C35 | 0.2° | 0.0° |
| C32 | C31 | C30 | C29 | 1.9° | 0.3° |
| C32 | C31 | C30 | H57 | 178.0° | 179.6° |
| C31 | C32 | C34 | H59 | 179.8° | 179.9° |
| C34 | C32 | C31 | C30 | 0.8° | 0.0° |
| C32 | C34 | C35 | H59 | 180.0° | 180.0° |
| C32 | C34 | C35 | C29 | 0.8° | 0.3° |
| C34 | C32 | C31 | H58 | 179.2° | 179.7° |
| C32 | C34 | C35 | H60 | 179.2° | 179.7° |
| C31 | C30 | C29 | H57 | 180.0° | 179.9° |
| C31 | C30 | C29 | C35 | 2.5° | 0.6° |
| C31 | C30 | C29 | C6 | 178.6° | 179.5° |
| C27 | C25 | C20 | C21 | 58.3° | 90.0° |
| C27 | C25 | C20 | O28 | 112.7° | 120.0° |
| C27 | C25 | C20 | C26 | 124.5° | 120.0° |
| C27 | C25 | O28 | C26 | 119.3° | 120.0° |
| C27 | C25 | C20 | C19 | 118.5° | 90.0° |
| C27 | C25 | C26 | H50 | 180.0° | 60.1° |
| C27 | C25 | C26 | H52 | 60.0° | 60.0° |
| C27 | C25 | C26 | H51 | 60.0° | 180.0° |
| C25 | C27 | H53 | H55 | 120.0° | 120.0° |
| C25 | C27 | H53 | H54 | 120.0° | 120.0° |
| C25 | C27 | H55 | H54 | 120.0° | 120.0° |
| C27 | C25 | O28 | H56 | 180.0° | 180.0° |
| C34 | C35 | C29 | C30 | 1.9° | 0.6° |
| C34 | C35 | C29 | H60 | 180.0° | 179.4° |
| C34 | C35 | C29 | C6 | 177.9° | 179.5° |
| C30 | C29 | C35 | C6 | 176.0° | 179.9° |
| C30 | C29 | C6 | C24 | 29.0° | 87.8° |
| C30 | C29 | C6 | O5 | 154.9° | 150.7° |
| C30 | C29 | C6 | N7 | 80.4° | 29.1° |
| C29 | C30 | C31 | H58 | 178.0° | 180.0° |
| C30 | C29 | C35 | H60 | 178.1° | 180.0° |
| CL1 | C12 | C11 | C14 | 177.1° | 180.0° |
| CL1 | C12 | C11 | C10 | 180.0° | 180.0° |
| CL1 | C12 | C14 | N15 | 179.6° | 180.0° |
| CL1 | C12 | C11 | H46 | 0.0° | 0.0° |
| CL1 | C12 | C14 | H47 | 0.4° | 0.0° |
| F23 | C22 | C21 | C24 | 179.3° | 180.0° |
| F23 | C22 | C21 | C20 | 179.3° | 180.0° |
| F23 | C22 | C24 | C6 | 6.5° | 0.0° |
| F23 | C22 | C24 | C18 | 179.6° | 179.9° |
| F23 | C22 | C21 | H49 | 0.7° | 0.0° |
| C22 | C21 | C20 | H49 | 180.0° | 180.0° |
| C22 | C21 | C20 | C25 | 177.2° | 179.9° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C21 | C22 | C24 | C6 | 174.2° | 180.0° |
| C21 | C22 | C24 | C18 | 0.3° | 0.0° |
| C21 | C20 | C25 | C19 | 176.8° | 179.9° |
| C21 | C20 | C25 | O28 | 171.0° | 150.0° |
| C21 | C20 | C25 | C26 | 66.2° | 30.0° |
| C20 | C21 | C22 | C24 | 0.0° | 0.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.0° |
| C21 | C20 | C19 | H48 | 179.8° | 180.0° |
| C35 | C29 | C6 | C24 | 146.9° | 92.3° |
| C35 | C29 | C6 | O5 | 21.1° | 29.2° |
| C35 | C29 | C6 | N7 | 103.7° | 150.8° |
| C35 | C29 | C30 | H57 | 177.5° | 179.4° |
| C29 | C35 | C34 | H59 | 179.2° | 179.7° |
| C20 | C25 | O28 | C26 | 124.5° | 120.0° |
| C25 | C20 | C19 | C18 | 177.2° | 179.9° |
| C25 | C20 | C19 | H48 | 2.8° | 0.1° |
| C25 | C20 | C21 | H49 | 2.8° | 0.1° |
| C20 | C25 | C26 | H50 | 55.3° | 60.0° |
| C20 | C25 | C26 | H52 | 64.7° | 180.0° |
| C20 | C25 | C26 | H51 | 175.3° | 60.0° |
| C20 | C25 | C27 | H53 | 180.0° | 60.0° |
| C20 | C25 | C27 | H55 | 60.0° | 180.0° |
| C20 | C25 | C27 | H54 | 60.0° | 60.0° |
| C20 | C25 | O28 | H56 | 63.8° | 59.9° |
| O28 | C25 | C20 | C19 | 5.8° | 30.1° |
| O28 | C25 | C26 | H50 | 63.5° | 180.0° |
| O28 | C25 | C26 | H52 | 176.6° | 60.0° |
| O28 | C25 | C26 | H51 | 56.6° | 60.0° |
| O28 | C25 | C27 | H53 | 67.7° | 60.0° |
| O28 | C25 | C27 | H55 | 172.3° | 60.0° |
| O28 | C25 | C27 | H54 | 52.3° | 180.0° |
| C26 | C25 | C20 | C19 | 117.0° | 150.0° |
| C25 | C26 | H50 | H52 | 120.0° | 120.0° |
| C25 | C26 | H50 | H51 | 120.0° | 120.0° |
| C25 | C26 | H52 | H51 | 120.0° | 120.0° |
| C26 | C25 | C27 | H53 | 52.9° | 180.0° |
| C26 | C25 | C27 | H55 | 67.1° | 60.0° |
| C26 | C25 | C27 | H54 | 172.9° | 60.0° |
| C26 | C25 | O28 | H56 | 60.7° | 60.1° |
| C29 | C6 | C24 | C22 | 61.7° | 60.7° |
| C29 | C6 | C24 | O5 | 117.3° | 121.6° |
| C29 | C6 | C24 | N7 | 113.7° | 119.2° |
| C29 | C6 | C24 | C18 | 112.6° | 119.2° |
| C29 | C6 | O5 | N7 | 119.1° | 121.6° |
| C29 | C6 | O5 | C4 | 177.6° | 172.1° |
| C29 | C6 | N7 | C16 | 114.4° | 119.2° |
| C29 | C6 | N7 | C8 | 66.9° | 60.8° |
| C6 | C29 | C35 | H60 | 2.1° | 0.1° |
| C6 | C29 | C30 | H57 | 1.4° | 0.6° |
| C22 | C24 | C6 | C18 | 174.3° | 179.9° |
| C22 | C24 | C18 | C19 | 0.3° | 0.0° |
| C22 | C24 | C6 | O5 | 55.6° | 60.9° |
| C22 | C24 | C6 | N7 | 175.3° | 180.0° |
| C22 | C24 | C18 | C16 | 177.9° | 180.0° |
| C24 | C22 | C21 | H49 | 180.0° | 180.0° |
| C12 | C11 | C10 | H46 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 2.7° | 0.0° |
| C11 | C12 | C14 | N15 | 2.6° | 0.0° |
| C12 | C11 | C10 | H45 | 177.3° | 179.7° |
| C11 | C12 | C14 | H47 | 177.4° | 180.0° |
| C10 | C11 | C12 | C14 | 2.9° | 0.0° |
| C11 | C10 | C9 | H45 | 180.0° | 179.7° |
| C11 | C10 | C9 | N15 | 2.2° | 0.0° |
| C11 | C10 | C9 | C8 | 178.1° | 179.7° |
| C12 | C14 | N15 | H47 | 180.0° | 180.0° |
| C12 | C14 | N15 | C9 | 2.0° | 0.0° |
| C14 | C12 | C11 | H46 | 177.1° | 180.0° |
| C20 | C19 | C18 | C24 | 0.0° | 0.0° |
| C20 | C19 | C18 | H48 | 180.0° | 180.0° |
| C20 | C19 | C18 | C16 | 177.7° | 180.0° |
| C19 | C20 | C21 | H49 | 179.7° | 180.0° |
| C6 | C24 | C18 | C19 | 175.6° | 180.0° |
| C24 | C6 | O5 | N7 | 121.7° | 116.8° |
| C6 | C24 | C18 | C16 | 2.6° | 0.0° |
| C24 | C6 | O5 | C4 | 63.2° | 50.5° |
| C24 | C6 | N7 | C16 | 1.1° | 0.0° |
| C24 | C6 | N7 | C8 | 179.7° | 180.0° |
| C24 | C18 | C19 | C16 | 177.8° | 180.0° |
| C18 | C24 | C6 | O5 | 130.1° | 119.2° |
| C18 | C24 | C6 | N7 | 1.0° | 0.0° |
| C24 | C18 | C16 | N7 | 3.2° | 0.0° |
| C24 | C18 | C16 | O17 | 177.0° | 180.0° |
| C24 | C18 | C19 | H48 | 179.9° | 180.0° |
| C10 | C9 | N15 | C14 | 1.8° | 0.0° |
| C10 | C9 | N15 | C8 | 179.7° | 179.7° |
| C10 | C9 | C8 | N7 | 36.7° | 94.9° |
| C10 | C9 | C8 | H43 | 84.4° | 25.1° |
| C10 | C9 | C8 | H44 | 157.7° | 145.2° |
| C9 | C10 | C11 | H46 | 177.3° | 180.0° |
| C19 | C18 | C16 | N7 | 174.8° | 180.0° |
| C19 | C18 | C16 | O17 | 5.0° | 0.1° |
| C14 | N15 | C9 | C8 | 178.5° | 179.7° |
| O5 | C6 | N7 | C16 | 128.7° | 119.1° |
| O5 | C6 | N7 | C8 | 50.0° | 60.8° |
| C6 | O5 | C4 | C3 | 171.7° | 172.0° |
| C6 | O5 | C4 | H40 | 51.7° | 68.1° |
| C6 | O5 | C4 | H41 | 68.3° | 52.0° |
| C6 | N7 | C16 | C18 | 2.6° | 0.0° |
| C6 | N7 | C8 | C9 | 91.6° | 109.3° |
| N7 | C6 | O5 | C4 | 58.5° | 66.3° |
| C6 | N7 | C16 | C8 | 178.7° | 180.0° |
| C6 | N7 | C16 | O17 | 177.5° | 179.9° |
| C6 | N7 | C8 | H43 | 147.3° | 130.6° |
| C6 | N7 | C8 | H44 | 29.4° | 10.6° |
| C18 | C16 | N7 | O17 | 179.9° | 179.9° |
| C18 | C16 | N7 | C8 | 178.7° | 180.0° |
| C16 | C18 | C19 | H48 | 2.3° | 0.0° |
| N15 | C9 | C8 | N7 | 143.6° | 85.4° |
| N15 | C9 | C8 | H43 | 95.2° | 154.6° |
| N15 | C9 | C8 | H44 | 22.6° | 34.6° |
| N15 | C9 | C10 | H45 | 177.8° | 179.7° |
| C9 | N15 | C14 | H47 | 178.0° | 180.0° |
| C9 | C8 | N7 | C16 | 89.8° | 70.7° |
| C9 | C8 | N7 | H43 | 121.1° | 120.1° |
| C9 | C8 | N7 | H44 | 121.1° | 119.9° |
| C9 | C8 | H43 | H44 | 116.6° | 120.0° |
| C8 | C9 | C10 | H45 | 1.9° | 0.0° |
| O5 | C4 | C3 | H40 | 120.0° | 120.0° |
| O5 | C4 | C3 | H41 | 120.0° | 120.0° |
| O5 | C4 | C3 | C37 | 85.8° | 91.1° |
| O5 | C4 | C3 | C1 | 60.4° | 54.5° |
| O5 | C4 | C3 | C36 | 155.1° | 159.8° |
| O5 | C4 | H40 | H41 | 120.0° | 120.1° |
| C16 | N7 | C8 | H43 | 31.3° | 49.4° |
| C16 | N7 | C8 | H44 | 149.1° | 169.4° |
| C8 | N7 | C16 | O17 | 1.2° | 0.1° |
| N7 | C8 | H43 | H44 | 116.6° | 120.0° |
| C4 | C3 | C37 | C1 | 143.9° | 145.0° |
| C4 | C3 | C37 | C36 | 107.0° | 107.5° |
| C4 | C3 | C1 | C36 | 143.8° | 145.7° |
| C4 | C3 | C1 | O2 | 49.4° | 35.3° |
| C4 | C3 | C1 | H38 | 71.1° | 155.3° |
| C4 | C3 | C1 | H39 | 169.8° | 84.7° |
| C4 | C3 | C36 | H61 | 141.3° | 0.0° |
| C4 | C3 | C36 | H62 | 0.1° | 145.0° |
| C4 | C3 | C37 | H64 | 143.5° | 145.0° |
| C4 | C3 | C37 | H63 | 2.5° | 0.1° |
| C3 | C4 | H40 | H41 | 120.1° | 120.0° |
| C3 | C37 | C36 | H64 | 109.5° | 107.5° |
| C3 | C37 | C36 | H63 | 109.5° | 107.5° |
| C37 | C3 | C1 | C36 | 70.1° | 68.6° |
| C37 | C3 | C1 | O2 | 164.5° | 110.3° |
| C37 | C3 | C1 | H38 | 75.0° | 9.7° |
| C37 | C3 | C1 | H39 | 44.1° | 129.7° |
| C3 | C37 | C36 | H61 | 109.4° | 107.5° |
| C3 | C37 | C36 | H62 | 109.4° | 107.4° |
| C3 | C37 | H64 | H63 | 144.7° | 145.7° |
| C37 | C3 | C4 | H40 | 34.2° | 148.9° |
| C37 | C3 | C4 | H41 | 154.3° | 28.9° |
| C37 | C36 | H61 | H62 | 144.9° | 145.7° |
| C36 | C37 | H64 | H63 | 144.7° | 145.7° |
| C3 | C1 | O2 | H38 | 120.5° | 120.0° |
| C3 | C1 | O2 | H39 | 120.5° | 119.9° |
| C3 | C1 | H38 | H39 | 118.5° | 119.9° |
| C1 | C3 | C36 | H61 | 0.7° | 145.1° |
| C1 | C3 | C36 | H62 | 141.9° | 0.1° |
| C1 | C3 | C37 | H64 | 0.4° | 0.1° |
| C1 | C3 | C37 | H63 | 141.4° | 145.0° |
| C3 | C1 | O2 | H42 | 180.0° | 180.0° |
| C1 | C3 | C4 | H40 | 179.6° | 65.5° |
| C1 | C3 | C4 | H41 | 59.6° | 174.5° |
| C36 | C3 | C1 | O2 | 94.5° | 179.0° |
| C36 | C3 | C1 | H38 | 145.0° | 58.9° |
| C36 | C3 | C1 | H39 | 26.0° | 61.1° |
| C3 | C36 | H61 | H62 | 144.8° | 145.6° |
| C36 | C3 | C4 | H40 | 35.1° | 80.2° |
| C36 | C3 | C4 | H41 | 84.9° | 39.8° |
| O2 | C1 | H38 | H39 | 118.5° | 120.0° |
| H38 | C1 | O2 | H42 | 59.5° | 60.0° |
| H39 | C1 | O2 | H42 | 59.5° | 60.0° |
| H45 | C10 | C11 | H46 | 2.7° | 0.3° |
| H50 | C26 | H52 | H51 | 120.0° | 119.9° |
| H53 | C27 | H55 | H54 | 120.0° | 120.0° |
| H58 | C31 | C30 | H57 | 2.0° | 0.1° |
| H60 | C35 | C34 | H59 | 0.8° | 0.3° |
| H61 | C36 | C37 | H64 | 0.1° | 145.0° |
| H61 | C36 | C37 | H63 | 141.1° | 0.0° |
| H62 | C36 | C37 | H64 | 141.1° | 0.1° |
| H62 | C36 | C37 | H63 | 0.1° | 145.1° |
