73T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C14 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | doub | 1.39Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| O24 | C14 | sing | 1.43Å | 1.46Å | |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C39 | sing | 1.53Å | 1.52Å | |
| C14 | C11 | sing | 1.53Å | 1.54Å | |
| C34 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C31 | F35 | sing | 1.35Å | 1.31Å | |
| C31 | C28 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.47Å | 1.47Å | |
| C29 | C28 | sing | 1.41Å | 1.43Å | Aromatic |
| O37 | C30 | doub | 1.22Å | 1.23Å | |
| C10 | C8 | sing | 1.51Å | 1.47Å | |
| C30 | N25 | sing | 1.35Å | 1.38Å | |
| C28 | N27 | sing | 1.39Å | 1.39Å | |
| C13 | C9 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| C8 | N7 | sing | 1.37Å | 1.41Å | Aromatic |
| C9 | C2 | sing | 1.46Å | 1.39Å | Aromatic |
| N25 | C22 | sing | 1.40Å | 1.44Å | |
| N25 | C26 | sing | 1.34Å | 1.40Å | |
| N7 | C1 | sing | 1.37Å | 1.39Å | Aromatic |
| N27 | C26 | sing | 1.34Å | 1.43Å | |
| N27 | C42 | sing | 1.47Å | 1.47Å | |
| C41 | C23 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | doub | 1.41Å | 1.46Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | O36 | doub | 1.22Å | 1.20Å | |
| C23 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C18 | C3 | sing | 1.48Å | 1.48Å | |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| O16 | C15 | doub | 1.22Å | 1.25Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C15 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | N17 | sing | 1.35Å | 1.33Å | |
| C20 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | F38 | sing | 1.35Å | 1.36Å | |
| C13 | H50 | sing | 1.09Å | 1.10Å | |
| C13 | H51 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.08Å | 1.08Å | |
| C20 | H55 | sing | 1.08Å | 1.08Å | |
| C21 | H56 | sing | 1.08Å | 1.08Å | |
| C11 | H47 | sing | 1.09Å | 1.10Å | |
| C12 | H49 | sing | 1.09Å | 1.10Å | |
| C12 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.08Å | 1.08Å | |
| C33 | H59 | sing | 1.08Å | 1.08Å | |
| C5 | H43 | sing | 1.08Å | 1.08Å | |
| N7 | H44 | sing | 0.97Å | 1.00Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| C10 | H45 | sing | 1.09Å | 1.10Å | |
| N17 | H53 | sing | 0.97Å | 1.00Å | |
| N17 | H52 | sing | 0.97Å | 1.00Å | |
| O24 | H57 | sing | 0.97Å | 0.95Å | |
| C32 | H58 | sing | 1.08Å | 1.08Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| C42 | H72 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C14 | O24 | 108.5° | 109.4° |
| C40 | C14 | C39 | 110.4° | 109.4° |
| C40 | C14 | C11 | 112.6° | 109.5° |
| C14 | C40 | H64 | 109.5° | 109.5° |
| C14 | C40 | H65 | 109.5° | 109.5° |
| C14 | C40 | H66 | 109.5° | 109.4° |
| C32 | C33 | C34 | 121.3° | 120.4° |
| C33 | C32 | C31 | 121.3° | 120.6° |
| C32 | C33 | H59 | 119.4° | 119.8° |
| C33 | C32 | H58 | 119.3° | 119.7° |
| C33 | C34 | C29 | 118.4° | 119.6° |
| C33 | C34 | H60 | 120.8° | 120.2° |
| C34 | C33 | H59 | 119.3° | 119.8° |
| O24 | C14 | C39 | 106.8° | 109.5° |
| O24 | C14 | C11 | 106.6° | 109.5° |
| C14 | O24 | H57 | 109.5° | 114.0° |
| C32 | C31 | F35 | 118.2° | 120.1° |
| C32 | C31 | C28 | 120.3° | 119.7° |
| C31 | C32 | H58 | 119.3° | 119.7° |
| C39 | C14 | C11 | 111.7° | 109.5° |
| C14 | C39 | H61 | 109.5° | 109.5° |
| C14 | C39 | H62 | 109.5° | 109.5° |
| C14 | C39 | H63 | 109.4° | 109.4° |
| C14 | C11 | C12 | 113.4° | 109.5° |
| C14 | C11 | C10 | 113.5° | 109.4° |
| C14 | C11 | H47 | 106.9° | 109.5° |
| C34 | C29 | C30 | 117.5° | 121.7° |
| C34 | C29 | C28 | 122.2° | 120.0° |
| C29 | C34 | H60 | 120.8° | 120.2° |
| C11 | C12 | C13 | 112.6° | 109.3° |
| C12 | C11 | C10 | 108.4° | 109.5° |
| C12 | C11 | H47 | 107.2° | 109.5° |
| C11 | C12 | H49 | 108.7° | 109.5° |
| C11 | C12 | H48 | 108.7° | 109.5° |
| C12 | C13 | C9 | 108.7° | 108.4° |
| C12 | C13 | H50 | 109.6° | 109.6° |
| C12 | C13 | H51 | 109.7° | 109.8° |
| C13 | C12 | H49 | 108.7° | 109.5° |
| C13 | C12 | H48 | 108.7° | 109.4° |
| C11 | C10 | C8 | 110.6° | 108.5° |
| C10 | C11 | H47 | 107.1° | 109.5° |
| C11 | C10 | H46 | 109.2° | 109.7° |
| C11 | C10 | H45 | 109.2° | 109.6° |
| F35 | C31 | C28 | 121.4° | 120.1° |
| C31 | C28 | C29 | 116.4° | 119.6° |
| C31 | C28 | N27 | 123.7° | 121.7° |
| C30 | C29 | C28 | 120.3° | 118.2° |
| C29 | C30 | O37 | 124.9° | 120.8° |
| C29 | C30 | N25 | 115.0° | 118.3° |
| C29 | C28 | N27 | 119.8° | 118.7° |
| O37 | C30 | N25 | 120.0° | 120.9° |
| C10 | C8 | C9 | 125.9° | 123.7° |
| C10 | C8 | N7 | 123.4° | 126.8° |
| C8 | C10 | H46 | 109.2° | 109.6° |
| C8 | C10 | H45 | 109.2° | 109.6° |
| C30 | N25 | C22 | 117.2° | 119.3° |
| C30 | N25 | C26 | 127.0° | 121.3° |
| C28 | N27 | C26 | 121.5° | 120.7° |
| C28 | N27 | C42 | 121.7° | 119.6° |
| C13 | C9 | C8 | 121.4° | 124.7° |
| C13 | C9 | C2 | 131.8° | 128.0° |
| C9 | C13 | H50 | 109.6° | 109.6° |
| C9 | C13 | H51 | 109.7° | 109.6° |
| C9 | C8 | N7 | 110.8° | 109.5° |
| C8 | C9 | C2 | 106.8° | 107.3° |
| C8 | N7 | C1 | 106.7° | 109.9° |
| C8 | N7 | H44 | 126.7° | 125.1° |
| C9 | C2 | C1 | 108.1° | 105.9° |
| C9 | C2 | C3 | 134.5° | 134.3° |
| C22 | N25 | C26 | 115.9° | 119.3° |
| N25 | C22 | C23 | 120.9° | 120.0° |
| N25 | C22 | C21 | 117.4° | 120.0° |
| N25 | C26 | N27 | 116.0° | 122.8° |
| N25 | C26 | O36 | 123.4° | 118.6° |
| N7 | C1 | C2 | 107.6° | 107.4° |
| N7 | C1 | C6 | 128.0° | 133.2° |
| C1 | N7 | H44 | 126.6° | 125.0° |
| C26 | N27 | C42 | 116.7° | 119.7° |
| N27 | C26 | O36 | 120.6° | 118.6° |
| N27 | C42 | H70 | 109.5° | 109.5° |
| N27 | C42 | H71 | 109.5° | 109.5° |
| N27 | C42 | H72 | 109.5° | 109.5° |
| C41 | C23 | C22 | 120.9° | 120.1° |
| C41 | C23 | C18 | 120.9° | 120.1° |
| C23 | C41 | H68 | 109.5° | 109.5° |
| C23 | C41 | H69 | 109.5° | 109.5° |
| C23 | C41 | H67 | 109.5° | 109.5° |
| C1 | C2 | C3 | 117.3° | 119.8° |
| C2 | C1 | C6 | 124.4° | 119.4° |
| C2 | C3 | C18 | 124.3° | 120.1° |
| C2 | C3 | C4 | 117.2° | 119.8° |
| C23 | C22 | C21 | 121.7° | 120.0° |
| C22 | C23 | C18 | 118.1° | 119.8° |
| C22 | C21 | C20 | 118.8° | 120.2° |
| C22 | C21 | H56 | 120.6° | 119.9° |
| C23 | C18 | C3 | 121.6° | 120.1° |
| C23 | C18 | C19 | 121.5° | 119.8° |
| C1 | C6 | C15 | 120.5° | 120.0° |
| C1 | C6 | C5 | 116.8° | 119.9° |
| C21 | C20 | C19 | 121.0° | 120.2° |
| C21 | C20 | H55 | 119.5° | 119.9° |
| C20 | C21 | H56 | 120.6° | 119.9° |
| C3 | C18 | C19 | 116.8° | 120.1° |
| C18 | C3 | C4 | 118.5° | 120.1° |
| C18 | C19 | C20 | 118.9° | 120.0° |
| C18 | C19 | H54 | 120.6° | 120.0° |
| O16 | C15 | C6 | 118.9° | 120.1° |
| O16 | C15 | N17 | 118.1° | 119.9° |
| C3 | C4 | C5 | 125.5° | 120.4° |
| C3 | C4 | F38 | 119.3° | 119.8° |
| C15 | C6 | C5 | 122.7° | 120.1° |
| C6 | C15 | N17 | 122.5° | 120.0° |
| C6 | C5 | C4 | 118.7° | 120.6° |
| C6 | C5 | H43 | 120.6° | 119.7° |
| C15 | N17 | H53 | 120.0° | 119.9° |
| C15 | N17 | H52 | 120.0° | 120.0° |
| C20 | C19 | H54 | 120.6° | 120.0° |
| C19 | C20 | H55 | 119.5° | 119.9° |
| C5 | C4 | F38 | 115.2° | 119.8° |
| C4 | C5 | H43 | 120.7° | 119.7° |
| H50 | C13 | H51 | 109.5° | 109.7° |
| H49 | C12 | H48 | 109.5° | 109.5° |
| H46 | C10 | H45 | 109.5° | 109.8° |
| H53 | N17 | H52 | 120.0° | 120.0° |
| H61 | C39 | H62 | 109.5° | 109.5° |
| H61 | C39 | H63 | 109.5° | 109.5° |
| H62 | C39 | H63 | 109.5° | 109.5° |
| H64 | C40 | H65 | 109.4° | 109.4° |
| H64 | C40 | H66 | 109.5° | 109.5° |
| H65 | C40 | H66 | 109.5° | 109.5° |
| H68 | C41 | H69 | 109.4° | 109.5° |
| H68 | C41 | H67 | 109.5° | 109.5° |
| H69 | C41 | H67 | 109.5° | 109.4° |
| H70 | C42 | H71 | 109.5° | 109.5° |
| H70 | C42 | H72 | 109.4° | 109.4° |
| H71 | C42 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C14 | O24 | C39 | 119.0° | 120.0° |
| C40 | C14 | O24 | C11 | 121.5° | 120.0° |
| C40 | C14 | C39 | C11 | 126.1° | 120.0° |
| C40 | C14 | C11 | C12 | 52.0° | 55.0° |
| C40 | C14 | C11 | C10 | 72.3° | 65.0° |
| C40 | C14 | C11 | H47 | 169.8° | 175.0° |
| C40 | C14 | O24 | H57 | 180.0° | 60.0° |
| C40 | C14 | C39 | H61 | 180.0° | 60.0° |
| C40 | C14 | C39 | H62 | 60.0° | 60.0° |
| C40 | C14 | C39 | H63 | 60.0° | 180.0° |
| C14 | C40 | H64 | H65 | 120.0° | 120.0° |
| C14 | C40 | H64 | H66 | 120.0° | 120.0° |
| C14 | C40 | H65 | H66 | 120.0° | 120.0° |
| C32 | C33 | C34 | H59 | 180.0° | 179.9° |
| C33 | C32 | C31 | H58 | 180.0° | 179.9° |
| C32 | C33 | C34 | C29 | 1.0° | 0.1° |
| C33 | C32 | C31 | F35 | 175.6° | 179.8° |
| C33 | C32 | C31 | C28 | 1.6° | 0.2° |
| C32 | C33 | C34 | H60 | 179.0° | 179.7° |
| C34 | C33 | C32 | C31 | 1.2° | 0.1° |
| C33 | C34 | C29 | H60 | 180.0° | 179.8° |
| C33 | C34 | C29 | C30 | 179.4° | 179.8° |
| C33 | C34 | C29 | C28 | 1.2° | 0.2° |
| C34 | C33 | C32 | H58 | 178.8° | 180.0° |
| O24 | C14 | C39 | C11 | 116.2° | 120.0° |
| O24 | C14 | C11 | C12 | 66.8° | 64.9° |
| O24 | C14 | C11 | C10 | 168.9° | 175.0° |
| O24 | C14 | C11 | H47 | 51.0° | 55.1° |
| O24 | C14 | C39 | H61 | 62.3° | 180.0° |
| O24 | C14 | C39 | H62 | 177.7° | 60.0° |
| O24 | C14 | C39 | H63 | 57.7° | 60.0° |
| O24 | C14 | C40 | H64 | 180.0° | 180.0° |
| O24 | C14 | C40 | H65 | 60.0° | 60.0° |
| O24 | C14 | C40 | H66 | 60.0° | 60.0° |
| C32 | C31 | F35 | C28 | 177.2° | 180.0° |
| C32 | C31 | C28 | C29 | 1.7° | 0.5° |
| C32 | C31 | C28 | N27 | 175.1° | 180.0° |
| C31 | C32 | C33 | H59 | 178.8° | 180.0° |
| C39 | C14 | C11 | C12 | 176.8° | 175.0° |
| C39 | C14 | C11 | C10 | 52.6° | 55.0° |
| C39 | C14 | C11 | H47 | 65.3° | 65.0° |
| C39 | C14 | O24 | H57 | 61.0° | 180.0° |
| C14 | C39 | H61 | H62 | 120.0° | 120.0° |
| C14 | C39 | H61 | H63 | 120.0° | 120.0° |
| C14 | C39 | H62 | H63 | 120.0° | 119.9° |
| C39 | C14 | C40 | H64 | 63.3° | 60.0° |
| C39 | C14 | C40 | H65 | 176.7° | 179.9° |
| C39 | C14 | C40 | H66 | 56.7° | 60.0° |
| C14 | C11 | C12 | C10 | 127.0° | 120.0° |
| C14 | C11 | C12 | H47 | 117.8° | 120.0° |
| C14 | C11 | C12 | C13 | 165.8° | 170.0° |
| C14 | C11 | C10 | H47 | 117.8° | 120.0° |
| C14 | C11 | C10 | C8 | 170.0° | 170.3° |
| C14 | C11 | C12 | H49 | 45.3° | 70.1° |
| C14 | C11 | C12 | H48 | 73.7° | 50.0° |
| C14 | C11 | C10 | H46 | 49.8° | 50.6° |
| C14 | C11 | C10 | H45 | 69.9° | 70.1° |
| C11 | C14 | O24 | H57 | 58.5° | 59.9° |
| C11 | C14 | C39 | H61 | 53.9° | 59.9° |
| C11 | C14 | C39 | H62 | 66.1° | 180.0° |
| C11 | C14 | C39 | H63 | 173.9° | 60.0° |
| C11 | C14 | C40 | H64 | 62.3° | 60.0° |
| C11 | C14 | C40 | H65 | 57.7° | 60.0° |
| C11 | C14 | C40 | H66 | 177.7° | 180.0° |
| C34 | C29 | C28 | C31 | 1.5° | 0.5° |
| C34 | C29 | C30 | C28 | 179.5° | 180.0° |
| C34 | C29 | C30 | O37 | 1.7° | 0.0° |
| C34 | C29 | C30 | N25 | 179.1° | 180.0° |
| C34 | C29 | C28 | N27 | 175.4° | 180.0° |
| C29 | C34 | C33 | H59 | 179.0° | 180.0° |
| C11 | C12 | C13 | H49 | 120.5° | 120.0° |
| C11 | C12 | C13 | H48 | 120.5° | 120.0° |
| C12 | C11 | C10 | H47 | 115.3° | 120.0° |
| C12 | C11 | C10 | C8 | 43.1° | 50.3° |
| C11 | C12 | C13 | C9 | 51.5° | 49.5° |
| C11 | C12 | C13 | H50 | 68.4° | 70.2° |
| C11 | C12 | C13 | H51 | 171.4° | 169.2° |
| C11 | C12 | H49 | H48 | 118.6° | 120.1° |
| C12 | C11 | C10 | H46 | 77.1° | 69.4° |
| C12 | C11 | C10 | H45 | 163.2° | 169.9° |
| C13 | C12 | C11 | C10 | 67.2° | 70.0° |
| C12 | C13 | C9 | H50 | 119.9° | 119.7° |
| C12 | C13 | C9 | H51 | 119.9° | 119.9° |
| C12 | C13 | C9 | C8 | 16.2° | 16.3° |
| C12 | C13 | C9 | C2 | 161.6° | 163.7° |
| C12 | C13 | H50 | H51 | 120.3° | 120.6° |
| C13 | C12 | C11 | H47 | 48.0° | 50.0° |
| C13 | C12 | H49 | H48 | 118.6° | 120.0° |
| C11 | C10 | C8 | H46 | 120.2° | 119.7° |
| C11 | C10 | C8 | H45 | 120.2° | 119.6° |
| C11 | C10 | C8 | C9 | 10.5° | 16.9° |
| C11 | C10 | C8 | N7 | 168.8° | 163.0° |
| C10 | C11 | C12 | H49 | 172.3° | 49.9° |
| C10 | C11 | C12 | H48 | 53.2° | 170.0° |
| C11 | C10 | H46 | H45 | 119.5° | 120.5° |
| F35 | C31 | C28 | C29 | 175.4° | 179.5° |
| F35 | C31 | C28 | N27 | 7.8° | 0.0° |
| F35 | C31 | C32 | H58 | 4.4° | 0.3° |
| C31 | C28 | C29 | C30 | 179.0° | 179.5° |
| C31 | C28 | C29 | N27 | 176.9° | 179.5° |
| C31 | C28 | N27 | C26 | 175.4° | 179.5° |
| C31 | C28 | N27 | C42 | 9.2° | 0.4° |
| C28 | C31 | C32 | H58 | 178.4° | 179.7° |
| C29 | C30 | O37 | N25 | 179.3° | 180.0° |
| C30 | C29 | C28 | N27 | 4.1° | 0.0° |
| C29 | C30 | N25 | C22 | 178.5° | 180.0° |
| C29 | C30 | N25 | C26 | 3.6° | 0.0° |
| C30 | C29 | C34 | H60 | 0.7° | 0.0° |
| C28 | C29 | C30 | O37 | 177.8° | 180.0° |
| C28 | C29 | C30 | N25 | 1.5° | 0.0° |
| C29 | C28 | N27 | C26 | 7.9° | 0.0° |
| C29 | C28 | N27 | C42 | 167.4° | 180.0° |
| C28 | C29 | C34 | H60 | 178.8° | 180.0° |
| O37 | C30 | N25 | C22 | 2.2° | 0.0° |
| O37 | C30 | N25 | C26 | 175.7° | 180.0° |
| C10 | C8 | C9 | C13 | 3.8° | 0.1° |
| C10 | C8 | C9 | N7 | 179.4° | 180.0° |
| C10 | C8 | C9 | C2 | 177.9° | 179.9° |
| C10 | C8 | N7 | C1 | 177.9° | 179.8° |
| C8 | C10 | C11 | H47 | 72.3° | 69.7° |
| C10 | C8 | N7 | H44 | 2.2° | 0.2° |
| C8 | C10 | H46 | H45 | 119.5° | 120.5° |
| C30 | N25 | C22 | C26 | 178.1° | 180.0° |
| C30 | N25 | C26 | N27 | 0.1° | 0.0° |
| C30 | N25 | C22 | C23 | 85.5° | 90.0° |
| C30 | N25 | C22 | C21 | 94.7° | 90.5° |
| C30 | N25 | C26 | O36 | 178.2° | 179.9° |
| C28 | N27 | C26 | N25 | 5.9° | 0.0° |
| C28 | N27 | C26 | C42 | 175.6° | 180.0° |
| C28 | N27 | C26 | O36 | 175.8° | 179.9° |
| C28 | N27 | C42 | H70 | 180.0° | 179.9° |
| C28 | N27 | C42 | H71 | 60.0° | 60.1° |
| C28 | N27 | C42 | H72 | 60.0° | 59.9° |
| C13 | C9 | C8 | C2 | 178.3° | 180.0° |
| C13 | C9 | C8 | N7 | 176.7° | 179.9° |
| C13 | C9 | C2 | C1 | 177.1° | 180.0° |
| C13 | C9 | C2 | C3 | 5.2° | 0.0° |
| C9 | C13 | H50 | H51 | 120.3° | 120.4° |
| C9 | C13 | C12 | H49 | 172.0° | 70.5° |
| C9 | C13 | C12 | H48 | 69.0° | 169.5° |
| C9 | C8 | N7 | C1 | 1.6° | 0.1° |
| C8 | C9 | C2 | C1 | 0.9° | 0.0° |
| C8 | C9 | C2 | C3 | 176.7° | 180.0° |
| C8 | C9 | C13 | H50 | 103.6° | 103.4° |
| C8 | C9 | C13 | H51 | 136.1° | 136.2° |
| C9 | C8 | N7 | H44 | 178.4° | 179.9° |
| C9 | C8 | C10 | H46 | 109.7° | 102.8° |
| C9 | C8 | C10 | H45 | 130.7° | 136.6° |
| N7 | C8 | C9 | C2 | 1.6° | 0.1° |
| C8 | N7 | C1 | H44 | 180.0° | 180.0° |
| C8 | N7 | C1 | C2 | 0.9° | 0.1° |
| C8 | N7 | C1 | C6 | 179.2° | 179.9° |
| N7 | C8 | C10 | H46 | 71.0° | 77.3° |
| N7 | C8 | C10 | H45 | 48.7° | 43.4° |
| C9 | C2 | C1 | N7 | 0.0° | 0.0° |
| C9 | C2 | C1 | C3 | 178.1° | 180.0° |
| C9 | C2 | C1 | C6 | 179.9° | 180.0° |
| C9 | C2 | C3 | C18 | 1.4° | 0.0° |
| C9 | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C9 | C13 | H50 | 78.5° | 76.6° |
| C2 | C9 | C13 | H51 | 41.7° | 43.9° |
| C22 | N25 | C26 | N27 | 178.1° | 180.0° |
| N25 | C22 | C23 | C41 | 1.5° | 0.6° |
| N25 | C22 | C23 | C21 | 179.9° | 179.5° |
| C22 | N25 | C26 | O36 | 0.2° | 0.0° |
| N25 | C22 | C23 | C18 | 179.7° | 180.0° |
| N25 | C22 | C21 | C20 | 179.9° | 179.7° |
| N25 | C22 | C21 | H56 | 0.1° | 0.3° |
| N25 | C26 | N27 | O36 | 178.3° | 179.9° |
| N25 | C26 | N27 | C42 | 169.7° | 180.0° |
| C26 | N25 | C22 | C23 | 96.4° | 90.0° |
| C26 | N25 | C22 | C21 | 83.5° | 89.5° |
| N7 | C1 | C2 | C6 | 179.9° | 180.0° |
| N7 | C1 | C2 | C3 | 178.1° | 180.0° |
| N7 | C1 | C6 | C15 | 1.6° | 0.0° |
| N7 | C1 | C6 | C5 | 179.9° | 180.0° |
| C26 | N27 | C42 | H70 | 4.4° | 0.0° |
| C26 | N27 | C42 | H71 | 115.6° | 120.0° |
| C26 | N27 | C42 | H72 | 124.4° | 120.0° |
| C42 | N27 | C26 | O36 | 8.6° | 0.0° |
| N27 | C42 | H70 | H71 | 120.0° | 120.0° |
| N27 | C42 | H70 | H72 | 120.0° | 120.0° |
| N27 | C42 | H71 | H72 | 120.0° | 120.0° |
| C41 | C23 | C22 | C18 | 178.3° | 179.4° |
| C41 | C23 | C22 | C21 | 178.4° | 180.0° |
| C41 | C23 | C18 | C3 | 4.8° | 0.3° |
| C41 | C23 | C18 | C19 | 177.6° | 180.0° |
| C23 | C41 | H68 | H69 | 120.0° | 120.0° |
| C23 | C41 | H68 | H67 | 120.0° | 120.1° |
| C23 | C41 | H69 | H67 | 120.0° | 120.0° |
| C1 | C2 | C3 | C18 | 176.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.3° | 0.0° |
| C2 | C1 | C6 | C15 | 178.2° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | N7 | H44 | 179.0° | 179.9° |
| C2 | C3 | C18 | C23 | 96.0° | 90.3° |
| C3 | C2 | C1 | C6 | 2.0° | 0.0° |
| C2 | C3 | C18 | C4 | 178.3° | 179.9° |
| C2 | C3 | C18 | C19 | 81.7° | 90.1° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | F38 | 177.5° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.2° |
| C22 | C23 | C18 | C3 | 176.9° | 179.7° |
| C22 | C23 | C18 | C19 | 0.7° | 0.6° |
| C23 | C22 | C21 | H56 | 179.8° | 179.7° |
| C22 | C23 | C41 | H68 | 90.9° | 90.1° |
| C22 | C23 | C41 | H69 | 149.1° | 150.0° |
| C22 | C23 | C41 | H67 | 29.1° | 30.0° |
| C21 | C22 | C23 | C18 | 0.1° | 0.6° |
| C22 | C21 | C20 | H56 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 1.4° | 0.1° |
| C22 | C21 | C20 | H55 | 178.7° | 180.0° |
| C23 | C18 | C3 | C19 | 177.7° | 179.7° |
| C23 | C18 | C3 | C4 | 85.6° | 89.7° |
| C23 | C18 | C19 | C20 | 1.8° | 0.3° |
| C23 | C18 | C19 | H54 | 178.3° | 179.7° |
| C18 | C23 | C41 | H68 | 90.9° | 90.6° |
| C18 | C23 | C41 | H69 | 29.1° | 29.4° |
| C18 | C23 | C41 | H67 | 149.1° | 149.4° |
| C1 | C6 | C15 | O16 | 18.2° | 0.0° |
| C1 | C6 | C15 | C5 | 178.2° | 179.9° |
| C1 | C6 | C15 | N17 | 169.8° | 180.0° |
| C1 | C6 | C5 | C4 | 1.5° | 0.0° |
| C1 | C6 | C5 | H43 | 178.6° | 180.0° |
| C6 | C1 | N7 | H44 | 0.8° | 0.1° |
| C21 | C20 | C19 | C18 | 2.1° | 0.0° |
| C21 | C20 | C19 | H55 | 180.0° | 179.9° |
| C21 | C20 | C19 | H54 | 177.9° | 179.9° |
| C3 | C18 | C19 | C20 | 176.0° | 180.0° |
| C18 | C3 | C4 | C5 | 177.6° | 180.0° |
| C18 | C3 | C4 | F38 | 4.0° | 0.0° |
| C3 | C18 | C19 | H54 | 4.0° | 0.0° |
| C19 | C18 | C3 | C4 | 96.6° | 90.0° |
| C18 | C19 | C20 | H54 | 180.0° | 180.0° |
| C18 | C19 | C20 | H55 | 177.9° | 180.0° |
| O16 | C15 | C6 | N17 | 172.1° | 180.0° |
| O16 | C15 | C6 | C5 | 163.7° | 179.9° |
| O16 | C15 | N17 | H53 | 0.0° | 180.0° |
| O16 | C15 | N17 | H52 | 180.0° | 0.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.0° |
| C3 | C4 | C5 | F38 | 178.4° | 180.0° |
| C3 | C4 | C5 | H43 | 178.9° | 180.0° |
| C15 | C6 | C5 | C4 | 179.7° | 180.0° |
| C15 | C6 | C5 | H43 | 0.3° | 0.1° |
| C6 | C15 | N17 | H53 | 172.2° | 0.0° |
| C6 | C15 | N17 | H52 | 7.9° | 180.0° |
| C5 | C6 | C15 | N17 | 8.4° | 0.1° |
| C6 | C5 | C4 | H43 | 180.0° | 179.9° |
| C6 | C5 | C4 | F38 | 179.6° | 180.0° |
| C15 | N17 | H53 | H52 | 180.0° | 180.0° |
| C19 | C20 | C21 | H56 | 178.6° | 180.0° |
| F38 | C4 | C5 | H43 | 0.5° | 0.0° |
| H50 | C13 | C12 | H49 | 52.1° | 169.8° |
| H50 | C13 | C12 | H48 | 171.2° | 49.8° |
| H51 | C13 | C12 | H49 | 68.1° | 49.3° |
| H51 | C13 | C12 | H48 | 50.9° | 70.8° |
| H54 | C19 | C20 | H55 | 2.1° | 0.0° |
| H55 | C20 | C21 | H56 | 1.4° | 0.0° |
| H47 | C11 | C12 | H49 | 72.4° | 169.9° |
| H47 | C11 | C12 | H48 | 168.5° | 70.0° |
| H47 | C11 | C10 | H46 | 167.6° | 170.6° |
| H47 | C11 | C10 | H45 | 47.9° | 49.9° |
| H60 | C34 | C33 | H59 | 1.0° | 0.2° |
| H59 | C33 | C32 | H58 | 1.2° | 0.1° |
| H61 | C39 | H62 | H63 | 120.0° | 120.0° |
| H64 | C40 | H65 | H66 | 120.0° | 120.0° |
| H68 | C41 | H69 | H67 | 120.0° | 120.0° |
| H70 | C42 | H71 | H72 | 120.0° | 120.0° |
