XNC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | C16 | doub | 1.22Å | 1.22Å | |
| C16 | C17 | sing | 1.48Å | 1.49Å | |
| C16 | N7 | sing | 1.35Å | 1.41Å | |
| C17 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | N39 | sing | 1.33Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.39Å | 1.41Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C44 | sing | 1.51Å | 1.51Å | |
| C40 | N39 | doub | 1.32Å | 1.38Å | Aromatic |
| N7 | C4 | sing | 1.39Å | 1.42Å | |
| N7 | C8 | sing | 1.44Å | 1.48Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.52Å | 1.51Å | |
| C8 | C18 | sing | 1.51Å | 1.55Å | |
| C9 | S12 | sing | 1.78Å | 1.71Å | |
| C9 | C10 | doub | 1.30Å | 1.35Å | |
| S12 | O32 | doub | 1.42Å | 1.46Å | |
| S12 | O33 | doub | 1.42Å | 1.44Å | |
| S12 | C13 | sing | 1.81Å | 1.80Å | |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C14 | C37 | sing | 1.53Å | 1.55Å | |
| C14 | C38 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C15 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | N11 | sing | 1.39Å | 1.39Å | |
| N11 | C5 | sing | 1.38Å | 1.40Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | O36 | sing | 1.36Å | 1.36Å | |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | F34 | sing | 1.35Å | 1.33Å | |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | O24 | sing | 1.36Å | 1.37Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| O24 | C25 | sing | 1.43Å | 1.44Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| O36 | HO36 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C16 | C17 | 117.5° | 120.1° |
| O35 | C16 | N7 | 121.7° | 119.9° |
| C17 | C16 | N7 | 120.9° | 120.0° |
| C16 | C17 | C43 | 121.1° | 119.7° |
| C16 | C17 | N39 | 118.2° | 119.8° |
| C16 | N7 | C4 | 123.8° | 119.5° |
| C16 | N7 | C8 | 119.2° | 119.5° |
| C43 | C17 | N39 | 120.7° | 120.5° |
| C17 | C43 | C42 | 118.4° | 119.1° |
| C17 | C43 | H43 | 120.8° | 120.4° |
| C17 | N39 | C40 | 121.3° | 121.6° |
| C43 | C42 | C41 | 120.3° | 118.4° |
| C42 | C43 | H43 | 120.8° | 120.5° |
| C43 | C42 | H42 | 119.9° | 120.8° |
| C42 | C41 | C40 | 120.9° | 119.4° |
| C41 | C42 | H42 | 119.8° | 120.8° |
| C42 | C41 | H41 | 119.6° | 120.3° |
| C41 | C40 | C44 | 122.3° | 119.6° |
| C41 | C40 | N39 | 118.3° | 120.9° |
| C40 | C41 | H41 | 119.5° | 120.3° |
| C44 | C40 | N39 | 119.4° | 119.5° |
| C40 | C44 | H44 | 109.5° | 109.5° |
| C40 | C44 | H44A | 109.5° | 109.5° |
| C40 | C44 | H44B | 109.5° | 109.4° |
| C4 | N7 | C8 | 117.0° | 121.0° |
| N7 | C4 | C3 | 120.4° | 122.2° |
| N7 | C4 | C5 | 120.0° | 117.6° |
| N7 | C8 | C9 | 109.0° | 115.7° |
| N7 | C8 | C18 | 106.7° | 108.2° |
| N7 | C8 | H8 | 114.5° | 108.2° |
| C3 | C4 | C5 | 119.6° | 120.2° |
| C4 | C3 | C2 | 120.9° | 119.4° |
| C4 | C3 | H3 | 119.6° | 120.3° |
| C4 | C5 | N11 | 124.2° | 116.6° |
| C4 | C5 | C6 | 118.8° | 120.4° |
| C3 | C2 | C1 | 118.7° | 120.5° |
| C2 | C3 | H3 | 119.6° | 120.3° |
| C3 | C2 | H2 | 120.6° | 119.8° |
| C2 | C1 | C6 | 121.2° | 120.2° |
| C1 | C2 | H2 | 120.6° | 119.7° |
| C2 | C1 | H1 | 119.4° | 119.9° |
| C9 | C8 | C18 | 117.0° | 108.2° |
| C8 | C9 | S12 | 112.2° | 113.0° |
| C8 | C9 | C10 | 125.7° | 125.4° |
| C9 | C8 | H8 | 103.7° | 108.3° |
| C8 | C18 | C23 | 118.9° | 119.9° |
| C8 | C18 | C19 | 122.0° | 120.0° |
| C18 | C8 | H8 | 106.1° | 108.0° |
| S12 | C9 | C10 | 122.1° | 121.5° |
| C9 | S12 | O32 | 107.9° | 104.3° |
| C9 | S12 | O33 | 111.5° | 104.3° |
| C9 | S12 | C13 | 107.9° | 104.5° |
| C9 | C10 | C15 | 121.7° | 125.0° |
| C9 | C10 | N11 | 125.3° | 123.7° |
| O32 | S12 | O33 | 107.7° | 121.0° |
| O32 | S12 | C13 | 112.4° | 110.6° |
| O33 | S12 | C13 | 109.5° | 110.5° |
| S12 | C13 | C14 | 112.8° | 106.4° |
| S12 | C13 | H13 | 108.4° | 110.0° |
| S12 | C13 | H13A | 107.6° | 110.1° |
| C13 | C14 | C37 | 108.6° | 109.9° |
| C13 | C14 | C38 | 112.0° | 109.8° |
| C13 | C14 | C15 | 105.6° | 107.6° |
| C14 | C13 | H13 | 108.4° | 110.0° |
| C14 | C13 | H13A | 107.6° | 110.1° |
| C37 | C14 | C38 | 110.0° | 109.8° |
| C37 | C14 | C15 | 109.5° | 109.9° |
| C14 | C37 | H37 | 109.5° | 109.5° |
| C14 | C37 | H37A | 109.5° | 109.5° |
| C14 | C37 | H37B | 109.5° | 109.5° |
| C38 | C14 | C15 | 111.0° | 109.9° |
| C14 | C38 | H38 | 109.5° | 109.5° |
| C14 | C38 | H38A | 109.5° | 109.5° |
| C14 | C38 | H38B | 109.5° | 109.5° |
| C14 | C15 | C10 | 117.8° | 114.8° |
| C14 | C15 | H15 | 106.8° | 108.4° |
| C14 | C15 | H15A | 104.9° | 108.5° |
| C15 | C10 | N11 | 113.0° | 111.3° |
| C10 | C15 | H15 | 106.8° | 108.4° |
| C10 | C15 | H15A | 104.9° | 108.4° |
| C10 | N11 | C5 | 133.4° | 126.2° |
| C10 | N11 | HN11 | 113.3° | 116.9° |
| N11 | C5 | C6 | 117.0° | 123.0° |
| C5 | N11 | HN11 | 113.3° | 116.8° |
| C5 | C6 | O36 | 121.1° | 120.4° |
| C5 | C6 | C1 | 120.7° | 119.2° |
| O36 | C6 | C1 | 118.2° | 120.4° |
| C6 | O36 | HO36 | 109.5° | 114.0° |
| C6 | C1 | H1 | 119.4° | 119.9° |
| C23 | C18 | C19 | 119.1° | 120.1° |
| C18 | C23 | F34 | 118.4° | 120.0° |
| C18 | C23 | C22 | 121.0° | 120.0° |
| C18 | C19 | C20 | 120.5° | 120.1° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| F34 | C23 | C22 | 120.6° | 120.0° |
| C23 | C22 | C21 | 119.9° | 119.9° |
| C23 | C22 | H22 | 120.0° | 120.1° |
| C22 | C21 | C20 | 119.1° | 119.9° |
| C22 | C21 | O24 | 118.5° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C20 | C21 | O24 | 122.4° | 120.0° |
| C21 | C20 | C19 | 120.4° | 120.0° |
| C21 | C20 | H20 | 119.8° | 120.0° |
| C21 | O24 | C25 | 123.0° | 117.0° |
| C19 | C20 | H20 | 119.8° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| O24 | C25 | C26 | 110.3° | 109.4° |
| O24 | C25 | H25 | 109.2° | 109.5° |
| O24 | C25 | H25A | 109.0° | 109.5° |
| C25 | C26 | C31 | 119.9° | 120.0° |
| C25 | C26 | C27 | 120.3° | 120.1° |
| C26 | C25 | H25 | 109.2° | 109.4° |
| C26 | C25 | H25A | 109.0° | 109.5° |
| C31 | C26 | C27 | 119.8° | 119.9° |
| C26 | C31 | C30 | 120.7° | 120.1° |
| C26 | C31 | H31 | 119.6° | 119.9° |
| C26 | C27 | C28 | 119.8° | 120.1° |
| C26 | C27 | H27 | 120.1° | 119.9° |
| C31 | C30 | C29 | 119.9° | 120.0° |
| C30 | C31 | H31 | 119.7° | 120.0° |
| C31 | C30 | H30 | 120.0° | 120.0° |
| C30 | C29 | C28 | 119.6° | 120.0° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C30 | C29 | H29 | 120.2° | 120.0° |
| C29 | C28 | C27 | 120.2° | 120.0° |
| C28 | C29 | H29 | 120.2° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.0° |
| C27 | C28 | H28 | 119.9° | 120.0° |
| C28 | C27 | H27 | 120.1° | 120.0° |
| H44 | C44 | H44A | 109.5° | 109.4° |
| H44 | C44 | H44B | 109.5° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| H13 | C13 | H13A | 112.1° | 110.1° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.4° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H38 | C38 | H38B | 109.4° | 109.4° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H15 | C15 | H15A | 116.2° | 108.2° |
| H25 | C25 | H25A | 110.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C16 | C17 | N7 | 179.3° | 179.7° |
| O35 | C16 | C17 | C43 | 123.3° | 0.0° |
| O35 | C16 | C17 | N39 | 58.3° | 179.7° |
| O35 | C16 | N7 | C4 | 160.7° | 180.0° |
| O35 | C16 | N7 | C8 | 19.8° | 0.2° |
| C16 | C17 | C43 | N39 | 178.4° | 179.7° |
| C16 | C17 | C43 | C42 | 179.9° | 180.0° |
| C16 | C17 | N39 | C40 | 179.1° | 179.7° |
| C17 | C16 | N7 | C4 | 18.6° | 0.3° |
| C17 | C16 | N7 | C8 | 161.0° | 179.4° |
| C16 | C17 | C43 | H43 | 0.1° | 0.0° |
| N7 | C16 | C17 | C43 | 57.4° | 179.7° |
| N7 | C16 | C17 | N39 | 121.0° | 0.0° |
| C16 | N7 | C4 | C8 | 179.6° | 179.7° |
| C16 | N7 | C4 | C3 | 59.1° | 65.5° |
| C16 | N7 | C4 | C5 | 122.0° | 115.2° |
| C16 | N7 | C8 | C9 | 95.4° | 114.5° |
| C16 | N7 | C8 | C18 | 137.3° | 123.9° |
| C16 | N7 | C8 | H8 | 20.2° | 7.2° |
| C17 | C43 | C42 | H43 | 180.0° | 180.0° |
| C17 | C43 | C42 | C41 | 1.4° | 0.0° |
| C43 | C17 | N39 | C40 | 0.6° | 0.6° |
| C17 | C43 | C42 | H42 | 178.5° | 180.0° |
| N39 | C17 | C43 | C42 | 1.7° | 0.3° |
| C17 | N39 | C40 | C41 | 0.8° | 0.6° |
| C17 | N39 | C40 | C44 | 179.1° | 179.7° |
| N39 | C17 | C43 | H43 | 178.3° | 179.7° |
| C43 | C42 | C41 | H42 | 180.0° | 180.0° |
| C43 | C42 | C41 | C40 | 0.1° | 0.0° |
| C43 | C42 | C41 | H41 | 179.9° | 180.0° |
| C42 | C41 | C40 | H41 | 180.0° | 180.0° |
| C42 | C41 | C40 | C44 | 179.4° | 180.0° |
| C42 | C41 | C40 | N39 | 1.1° | 0.3° |
| C41 | C42 | C43 | H43 | 178.6° | 180.0° |
| C41 | C40 | C44 | N39 | 178.3° | 179.7° |
| C40 | C41 | C42 | H42 | 179.9° | 180.0° |
| C41 | C40 | C44 | H44 | 36.2° | 90.0° |
| C41 | C40 | C44 | H44A | 83.8° | 150.0° |
| C41 | C40 | C44 | H44B | 156.2° | 30.0° |
| C44 | C40 | C41 | H41 | 0.6° | 0.1° |
| C40 | C44 | H44 | H44A | 120.0° | 120.0° |
| C40 | C44 | H44 | H44B | 120.0° | 120.0° |
| C40 | C44 | H44A | H44B | 120.0° | 120.0° |
| N39 | C40 | C41 | H41 | 178.9° | 179.7° |
| N39 | C40 | C44 | H44 | 142.1° | 89.7° |
| N39 | C40 | C44 | H44A | 97.9° | 30.3° |
| N39 | C40 | C44 | H44B | 22.1° | 150.3° |
| N7 | C4 | C3 | C5 | 178.9° | 179.3° |
| N7 | C4 | C3 | C2 | 178.4° | 177.3° |
| C4 | N7 | C8 | C9 | 84.2° | 65.2° |
| C4 | N7 | C8 | C18 | 43.1° | 56.4° |
| N7 | C4 | C5 | N11 | 2.4° | 5.9° |
| N7 | C4 | C5 | C6 | 179.6° | 176.2° |
| N7 | C4 | C3 | H3 | 1.6° | 2.6° |
| C4 | N7 | C8 | H8 | 160.2° | 173.1° |
| C8 | N7 | C4 | C3 | 121.4° | 114.8° |
| C8 | N7 | C4 | C5 | 57.6° | 64.5° |
| N7 | C8 | C9 | C18 | 121.2° | 121.6° |
| N7 | C8 | C9 | H8 | 122.4° | 121.7° |
| N7 | C8 | C18 | H8 | 122.6° | 116.9° |
| N7 | C8 | C9 | S12 | 134.7° | 167.2° |
| N7 | C8 | C9 | C10 | 45.0° | 11.7° |
| N7 | C8 | C18 | C23 | 66.9° | 77.9° |
| N7 | C8 | C18 | C19 | 113.8° | 101.9° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.3° | 0.2° |
| C3 | C4 | C5 | N11 | 178.6° | 174.8° |
| C3 | C4 | C5 | C6 | 0.7° | 3.1° |
| C4 | C3 | C2 | H2 | 178.8° | 179.9° |
| C5 | C4 | C3 | C2 | 0.5° | 2.0° |
| C4 | C5 | N11 | C10 | 21.2° | 66.1° |
| C4 | C5 | N11 | C6 | 178.0° | 177.9° |
| C4 | C5 | C6 | O36 | 179.8° | 177.8° |
| C4 | C5 | C6 | C1 | 1.1° | 2.1° |
| C5 | C4 | C3 | H3 | 179.4° | 178.1° |
| C4 | C5 | N11 | HN11 | 158.8° | 114.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.8° | 1.2° |
| C3 | C2 | C1 | H1 | 179.2° | 178.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | O36 | 179.4° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 178.7° | 179.7° |
| C9 | C8 | C18 | H8 | 115.1° | 117.0° |
| C8 | C9 | S12 | C10 | 179.8° | 179.0° |
| C8 | C9 | S12 | O32 | 56.8° | 52.8° |
| C8 | C9 | S12 | O33 | 61.2° | 75.0° |
| C8 | C9 | S12 | C13 | 178.5° | 168.9° |
| C8 | C9 | C10 | C15 | 178.2° | 178.6° |
| C8 | C9 | C10 | N11 | 0.3° | 0.6° |
| C9 | C8 | C18 | C23 | 170.7° | 156.0° |
| C9 | C8 | C18 | C19 | 8.6° | 24.2° |
| C18 | C8 | C9 | S12 | 104.1° | 71.2° |
| C18 | C8 | C9 | C10 | 76.2° | 109.8° |
| C8 | C18 | C23 | C19 | 179.3° | 179.7° |
| C8 | C18 | C23 | F34 | 0.2° | 0.0° |
| C8 | C18 | C23 | C22 | 179.3° | 180.0° |
| C8 | C18 | C19 | C20 | 179.8° | 179.8° |
| C8 | C18 | C19 | H19 | 0.2° | 0.0° |
| C9 | S12 | O32 | O33 | 120.4° | 116.7° |
| C9 | S12 | O32 | C13 | 118.9° | 111.8° |
| C9 | S12 | O33 | C13 | 119.4° | 111.8° |
| C9 | S12 | C13 | C14 | 30.8° | 44.5° |
| S12 | C9 | C10 | C15 | 2.1° | 2.5° |
| S12 | C9 | C10 | N11 | 179.4° | 178.3° |
| S12 | C9 | C8 | H8 | 12.3° | 45.5° |
| C9 | S12 | C13 | H13 | 89.2° | 163.7° |
| C9 | S12 | C13 | H13A | 149.3° | 74.8° |
| C10 | C9 | S12 | O32 | 123.5° | 128.2° |
| C10 | C9 | S12 | O33 | 118.6° | 104.0° |
| C10 | C9 | S12 | C13 | 1.7° | 12.1° |
| C9 | C10 | C15 | C14 | 31.2° | 26.3° |
| C9 | C10 | C15 | N11 | 178.7° | 179.3° |
| C9 | C10 | N11 | C5 | 3.0° | 47.7° |
| C10 | C9 | C8 | H8 | 167.4° | 133.4° |
| C9 | C10 | C15 | H15 | 88.9° | 147.7° |
| C9 | C10 | C15 | H15A | 147.3° | 95.1° |
| C9 | C10 | N11 | HN11 | 177.0° | 132.3° |
| O32 | S12 | O33 | C13 | 122.5° | 131.5° |
| O32 | S12 | C13 | C14 | 88.1° | 156.2° |
| O32 | S12 | C13 | H13 | 151.9° | 84.6° |
| O32 | S12 | C13 | H13A | 30.5° | 36.9° |
| O33 | S12 | C13 | C14 | 152.3° | 67.1° |
| O33 | S12 | C13 | H13 | 32.3° | 52.1° |
| O33 | S12 | C13 | H13A | 89.2° | 173.6° |
| S12 | C13 | C14 | H13 | 120.0° | 119.2° |
| S12 | C13 | C14 | H13A | 118.5° | 119.3° |
| S12 | C13 | C14 | C37 | 176.4° | 49.3° |
| S12 | C13 | C14 | C38 | 62.0° | 170.2° |
| S12 | C13 | C14 | C15 | 59.0° | 70.2° |
| S12 | C13 | H13 | H13A | 118.6° | 121.5° |
| C13 | C14 | C37 | C38 | 122.9° | 120.9° |
| C13 | C14 | C37 | C15 | 114.8° | 118.1° |
| C13 | C14 | C38 | C15 | 117.8° | 118.1° |
| C13 | C14 | C15 | C10 | 62.2° | 62.5° |
| C14 | C13 | H13 | H13A | 118.7° | 121.6° |
| C13 | C14 | C37 | H37 | 125.7° | 60.0° |
| C13 | C14 | C37 | H37A | 114.3° | 180.0° |
| C13 | C14 | C37 | H37B | 5.7° | 60.0° |
| C13 | C14 | C38 | H38 | 43.5° | 59.9° |
| C13 | C14 | C38 | H38A | 163.5° | 179.9° |
| C13 | C14 | C38 | H38B | 76.5° | 60.0° |
| C13 | C14 | C15 | H15 | 57.8° | 176.1° |
| C13 | C14 | C15 | H15A | 178.3° | 58.9° |
| C37 | C14 | C38 | C15 | 121.4° | 120.9° |
| C37 | C14 | C15 | C10 | 178.9° | 57.0° |
| C37 | C14 | C13 | H13 | 56.4° | 69.9° |
| C37 | C14 | C13 | H13A | 65.1° | 168.6° |
| C14 | C37 | H37 | H37A | 120.0° | 120.0° |
| C14 | C37 | H37 | H37B | 120.0° | 120.1° |
| C14 | C37 | H37A | H37B | 120.0° | 120.0° |
| C37 | C14 | C38 | H38 | 164.3° | 179.1° |
| C37 | C14 | C38 | H38A | 75.7° | 59.1° |
| C37 | C14 | C38 | H38B | 44.3° | 61.0° |
| C37 | C14 | C15 | H15 | 58.9° | 64.3° |
| C37 | C14 | C15 | H15A | 65.0° | 178.4° |
| C38 | C14 | C15 | C10 | 59.4° | 177.9° |
| C38 | C14 | C13 | H13 | 178.0° | 51.0° |
| C38 | C14 | C13 | H13A | 56.5° | 70.5° |
| C38 | C14 | C37 | H37 | 2.9° | 60.9° |
| C38 | C14 | C37 | H37A | 122.9° | 59.1° |
| C38 | C14 | C37 | H37B | 117.1° | 179.1° |
| C14 | C38 | H38 | H38A | 120.0° | 120.0° |
| C14 | C38 | H38 | H38B | 120.0° | 120.0° |
| C14 | C38 | H38A | H38B | 120.0° | 120.0° |
| C38 | C14 | C15 | H15 | 179.4° | 56.6° |
| C38 | C14 | C15 | H15A | 56.7° | 60.7° |
| C14 | C15 | C10 | H15 | 120.0° | 121.3° |
| C14 | C15 | C10 | H15A | 116.1° | 121.4° |
| C14 | C15 | C10 | N11 | 147.5° | 154.4° |
| C15 | C14 | C13 | H13 | 61.0° | 170.6° |
| C15 | C14 | C13 | H13A | 177.5° | 49.0° |
| C15 | C14 | C37 | H37 | 119.4° | 178.2° |
| C15 | C14 | C37 | H37A | 0.6° | 61.8° |
| C15 | C14 | C37 | H37B | 120.6° | 58.1° |
| C15 | C14 | C38 | H38 | 74.3° | 58.2° |
| C15 | C14 | C38 | H38A | 45.7° | 61.8° |
| C15 | C14 | C38 | H38B | 165.7° | 178.1° |
| C14 | C15 | H15 | H15A | 116.6° | 117.4° |
| C15 | C10 | N11 | C5 | 178.4° | 131.5° |
| C10 | C15 | H15 | H15A | 116.6° | 117.4° |
| C15 | C10 | N11 | HN11 | 1.7° | 48.4° |
| C10 | N11 | C5 | HN11 | 180.0° | 179.9° |
| C10 | N11 | C5 | C6 | 160.8° | 116.0° |
| N11 | C10 | C15 | H15 | 92.5° | 33.1° |
| N11 | C10 | C15 | H15A | 31.4° | 84.2° |
| N11 | C5 | C6 | O36 | 1.7° | 4.4° |
| N11 | C5 | C6 | C1 | 179.3° | 175.7° |
| C5 | C6 | O36 | C1 | 179.0° | 179.9° |
| C6 | C5 | N11 | HN11 | 19.2° | 63.9° |
| C5 | C6 | O36 | HO36 | 105.5° | 90.0° |
| C5 | C6 | C1 | H1 | 179.6° | 180.0° |
| O36 | C6 | C1 | H1 | 0.5° | 0.0° |
| C6 | C1 | C2 | H2 | 179.2° | 178.9° |
| C1 | C6 | O36 | HO36 | 73.6° | 90.0° |
| C18 | C23 | F34 | C22 | 179.2° | 180.0° |
| C18 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C18 | C19 | C20 | 0.5° | 0.5° |
| C23 | C18 | C8 | H8 | 55.6° | 39.0° |
| C18 | C23 | C22 | H22 | 179.8° | 180.0° |
| C23 | C18 | C19 | H19 | 179.5° | 179.7° |
| C19 | C18 | C23 | F34 | 179.1° | 179.8° |
| C19 | C18 | C23 | C22 | 0.0° | 0.3° |
| C18 | C19 | C20 | C21 | 0.7° | 0.4° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C19 | C18 | C8 | H8 | 123.7° | 141.2° |
| C18 | C19 | C20 | H20 | 179.3° | 179.7° |
| F34 | C23 | C22 | C21 | 179.4° | 180.0° |
| F34 | C23 | C22 | H22 | 0.6° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.1° |
| C23 | C22 | C21 | O24 | 179.0° | 180.0° |
| C22 | C21 | C20 | O24 | 178.9° | 179.9° |
| C22 | C21 | C20 | C19 | 0.5° | 0.2° |
| C22 | C21 | O24 | C25 | 177.9° | 180.0° |
| C22 | C21 | C20 | H20 | 179.5° | 180.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.8° |
| C20 | C21 | O24 | C25 | 1.0° | 0.1° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| C21 | C20 | C19 | H19 | 179.3° | 179.8° |
| O24 | C21 | C20 | C19 | 179.4° | 179.7° |
| C21 | O24 | C25 | C26 | 72.5° | 179.9° |
| O24 | C21 | C22 | H22 | 1.0° | 0.1° |
| O24 | C21 | C20 | H20 | 0.6° | 0.1° |
| C21 | O24 | C25 | H25 | 167.5° | 60.1° |
| C21 | O24 | C25 | H25A | 47.1° | 59.9° |
| O24 | C25 | C26 | H25 | 120.0° | 120.0° |
| O24 | C25 | C26 | H25A | 119.6° | 120.0° |
| O24 | C25 | C26 | C31 | 138.8° | 90.0° |
| O24 | C25 | C26 | C27 | 39.7° | 90.3° |
| O24 | C25 | H25 | H25A | 119.7° | 120.1° |
| C25 | C26 | C31 | C27 | 178.5° | 179.7° |
| C25 | C26 | C31 | C30 | 178.2° | 180.0° |
| C25 | C26 | C27 | C28 | 178.9° | 179.8° |
| C26 | C25 | H25 | H25A | 119.6° | 120.0° |
| C25 | C26 | C31 | H31 | 1.8° | 0.0° |
| C25 | C26 | C27 | H27 | 1.0° | 0.0° |
| C26 | C31 | C30 | H31 | 180.0° | 180.0° |
| C26 | C31 | C30 | C29 | 0.7° | 0.0° |
| C31 | C26 | C27 | C28 | 0.5° | 0.5° |
| C31 | C26 | C25 | H25 | 101.2° | 30.0° |
| C31 | C26 | C25 | H25A | 19.1° | 150.0° |
| C26 | C31 | C30 | H30 | 179.3° | 179.9° |
| C31 | C26 | C27 | H27 | 179.5° | 179.7° |
| C27 | C26 | C31 | C30 | 0.3° | 0.3° |
| C26 | C27 | C28 | C29 | 0.7° | 0.5° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C27 | C26 | C25 | H25 | 80.3° | 149.7° |
| C27 | C26 | C25 | H25A | 159.3° | 29.7° |
| C27 | C26 | C31 | H31 | 179.8° | 179.7° |
| C26 | C27 | C28 | H28 | 179.3° | 179.7° |
| C31 | C30 | C29 | H30 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.5° | 0.0° |
| C31 | C30 | C29 | H29 | 179.5° | 179.9° |
| C30 | C29 | C28 | H29 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.2° | 0.3° |
| C29 | C30 | C31 | H31 | 179.3° | 180.0° |
| C30 | C29 | C28 | H28 | 179.8° | 180.0° |
| C29 | C28 | C27 | H28 | 180.0° | 179.8° |
| C28 | C29 | C30 | H30 | 179.5° | 179.9° |
| C29 | C28 | C27 | H27 | 179.3° | 179.7° |
| C27 | C28 | C29 | H29 | 179.8° | 179.8° |
| H43 | C43 | C42 | H42 | 1.4° | 0.0° |
| H42 | C42 | C41 | H41 | 0.1° | 0.0° |
| H44 | C44 | H44A | H44B | 120.0° | 120.0° |
| H3 | C3 | C2 | H2 | 1.3° | 0.2° |
| H2 | C2 | C1 | H1 | 0.8° | 1.1° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| H38 | C38 | H38A | H38B | 120.0° | 119.9° |
| H20 | C20 | C19 | H19 | 0.7° | 0.1° |
| H31 | C31 | C30 | H30 | 0.7° | 0.1° |
| H30 | C30 | C29 | H29 | 0.5° | 0.0° |
| H29 | C29 | C28 | H28 | 0.2° | 0.1° |
| H28 | C28 | C27 | H27 | 0.7° | 0.1° |
