NK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | F5 | sing | 1.40Å | 1.31Å | |
| C4 | F6 | sing | 1.40Å | 1.31Å | |
| C4 | F7 | sing | 1.40Å | 1.32Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.46Å | |
| N12 | S13 | sing | 1.66Å | 1.55Å | |
| N12 | C25 | sing | 1.47Å | 1.47Å | |
| S13 | C14 | sing | 1.76Å | 1.62Å | |
| S13 | O23 | doub | 1.42Å | 1.43Å | |
| S13 | O24 | doub | 1.42Å | 1.43Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.51Å | |
| C17 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | O19 | doub | 1.21Å | 1.21Å | |
| C18 | N20 | sing | 1.35Å | 1.33Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| C25 | C41 | sing | 1.54Å | 1.54Å | |
| C26 | N27 | sing | 1.47Å | 1.46Å | |
| C26 | C38 | sing | 1.54Å | 1.52Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.48Å | 1.50Å | |
| C32 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | N34 | sing | 1.35Å | 1.33Å | |
| C33 | O35 | doub | 1.22Å | 1.22Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | N40 | sing | 1.49Å | 1.45Å | |
| N40 | C41 | sing | 1.49Å | 1.46Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| N20 | HN2A | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| N27 | HN27 | sing | 1.01Å | 1.00Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| N34 | HN3A | sing | 0.97Å | 1.00Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| N40 | HN40 | sing | 1.01Å | 1.00Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 121.7° | 120.0° |
| C1 | C2 | C3 | 119.5° | 120.0° |
| C2 | C1 | H1 | 119.2° | 120.0° |
| C1 | C2 | H2 | 120.3° | 120.1° |
| C1 | C10 | C9 | 118.3° | 120.0° |
| C1 | C10 | C11 | 118.8° | 120.0° |
| C10 | C1 | H1 | 119.1° | 120.0° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | C8 | 119.2° | 120.0° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C4 | C3 | C8 | 119.7° | 120.0° |
| C3 | C4 | F5 | 110.0° | 109.5° |
| C3 | C4 | F6 | 110.7° | 109.4° |
| C3 | C4 | F7 | 109.4° | 109.5° |
| C3 | C8 | C9 | 120.9° | 120.1° |
| C3 | C8 | H8 | 119.6° | 120.0° |
| F5 | C4 | F6 | 110.4° | 109.4° |
| F5 | C4 | F7 | 108.2° | 109.5° |
| F6 | C4 | F7 | 108.1° | 109.5° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C9 | C8 | H8 | 119.5° | 120.0° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | C11 | 122.9° | 120.0° |
| C10 | C9 | H9 | 119.8° | 120.0° |
| C10 | C11 | N12 | 120.8° | 109.5° |
| C10 | C11 | H11 | 105.9° | 109.5° |
| C10 | C11 | H11A | 105.9° | 109.5° |
| C11 | N12 | S13 | 122.7° | 120.0° |
| C11 | N12 | C25 | 115.9° | 120.0° |
| N12 | C11 | H11 | 105.9° | 109.4° |
| N12 | C11 | H11A | 105.8° | 109.5° |
| S13 | N12 | C25 | 120.5° | 120.0° |
| N12 | S13 | C14 | 103.4° | 107.2° |
| N12 | S13 | O23 | 109.0° | 106.4° |
| N12 | S13 | O24 | 110.5° | 106.4° |
| N12 | C25 | C26 | 113.3° | 110.3° |
| N12 | C25 | C41 | 107.3° | 110.3° |
| N12 | C25 | H25 | 107.2° | 110.2° |
| C14 | S13 | O23 | 110.1° | 106.4° |
| C14 | S13 | O24 | 109.0° | 106.4° |
| S13 | C14 | C15 | 121.1° | 119.8° |
| S13 | C14 | C22 | 120.3° | 119.8° |
| O23 | S13 | O24 | 114.3° | 123.1° |
| C15 | C14 | C22 | 118.7° | 120.3° |
| C14 | C15 | C16 | 120.0° | 120.2° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C14 | C22 | C21 | 121.5° | 120.1° |
| C14 | C22 | H22 | 119.2° | 119.9° |
| C15 | C16 | C17 | 120.7° | 119.8° |
| C16 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | H16 | 119.7° | 120.1° |
| C16 | C17 | C18 | 121.8° | 120.1° |
| C16 | C17 | C21 | 119.3° | 119.7° |
| C17 | C16 | H16 | 119.6° | 120.0° |
| C18 | C17 | C21 | 118.9° | 120.1° |
| C17 | C18 | O19 | 117.9° | 120.0° |
| C17 | C18 | N20 | 120.3° | 120.0° |
| C17 | C21 | C22 | 119.9° | 119.8° |
| C17 | C21 | H21 | 120.1° | 120.1° |
| O19 | C18 | N20 | 121.8° | 120.0° |
| C18 | N20 | HN20 | 120.0° | 120.0° |
| C18 | N20 | HN2A | 120.0° | 120.0° |
| C22 | C21 | H21 | 120.1° | 120.1° |
| C21 | C22 | H22 | 119.3° | 119.9° |
| C26 | C25 | C41 | 105.3° | 105.1° |
| C25 | C26 | N27 | 110.4° | 110.4° |
| C25 | C26 | C38 | 106.6° | 105.1° |
| C26 | C25 | H25 | 109.0° | 110.3° |
| C25 | C26 | H26 | 110.0° | 110.3° |
| C25 | C41 | N40 | 104.6° | 104.6° |
| C41 | C25 | H25 | 114.9° | 110.4° |
| C25 | C41 | H41 | 111.1° | 110.4° |
| C25 | C41 | H41A | 111.1° | 110.4° |
| N27 | C26 | C38 | 107.4° | 110.3° |
| C26 | N27 | C28 | 118.8° | 111.0° |
| N27 | C26 | H26 | 109.3° | 110.3° |
| C26 | N27 | HN27 | 106.5° | 111.0° |
| C26 | C38 | N40 | 102.2° | 104.6° |
| C38 | C26 | H26 | 113.0° | 110.4° |
| C26 | C38 | H38 | 112.0° | 110.4° |
| C26 | C38 | H38A | 112.0° | 110.4° |
| N27 | C28 | C29 | 106.6° | 109.5° |
| C28 | N27 | HN27 | 106.5° | 111.0° |
| N27 | C28 | H28 | 110.4° | 109.5° |
| N27 | C28 | H28A | 110.4° | 109.5° |
| C28 | C29 | C30 | 118.6° | 119.8° |
| C28 | C29 | C37 | 120.9° | 119.9° |
| C29 | C28 | H28 | 110.4° | 109.5° |
| C29 | C28 | H28A | 110.4° | 109.4° |
| C30 | C29 | C37 | 120.4° | 120.3° |
| C29 | C30 | C31 | 119.4° | 120.1° |
| C29 | C30 | H30 | 120.3° | 120.0° |
| C29 | C37 | C36 | 120.2° | 120.1° |
| C29 | C37 | H37 | 119.9° | 119.9° |
| C30 | C31 | C32 | 119.9° | 119.8° |
| C31 | C30 | H30 | 120.3° | 119.9° |
| C30 | C31 | H31 | 120.0° | 120.1° |
| C31 | C32 | C33 | 118.4° | 120.1° |
| C31 | C32 | C36 | 120.8° | 119.7° |
| C32 | C31 | H31 | 120.0° | 120.1° |
| C33 | C32 | C36 | 120.8° | 120.2° |
| C32 | C33 | N34 | 119.9° | 120.0° |
| C32 | C33 | O35 | 118.2° | 120.0° |
| C32 | C36 | C37 | 119.2° | 119.9° |
| C32 | C36 | H36 | 120.4° | 120.0° |
| N34 | C33 | O35 | 121.8° | 120.0° |
| C33 | N34 | HN34 | 120.0° | 120.0° |
| C33 | N34 | HN3A | 120.0° | 120.0° |
| C37 | C36 | H36 | 120.4° | 120.1° |
| C36 | C37 | H37 | 119.9° | 120.0° |
| C38 | N40 | C41 | 112.2° | 104.2° |
| N40 | C38 | H38 | 112.0° | 110.4° |
| N40 | C38 | H38A | 112.0° | 110.4° |
| C38 | N40 | HN40 | 108.5° | 111.0° |
| C41 | N40 | HN40 | 108.6° | 111.0° |
| N40 | C41 | H41 | 111.1° | 110.4° |
| N40 | C41 | H41A | 111.1° | 110.4° |
| H11 | C11 | H11A | 112.8° | 109.4° |
| HN20 | N20 | HN2A | 120.0° | 120.0° |
| H28 | C28 | H28A | 108.5° | 109.5° |
| HN34 | N34 | HN3A | 120.0° | 120.0° |
| H38 | C38 | H38A | 106.9° | 110.5° |
| H41 | C41 | H41A | 107.8° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.4° | 180.0° |
| C1 | C2 | C3 | C8 | 0.0° | 0.1° |
| C2 | C1 | C10 | C9 | 0.6° | 0.1° |
| C2 | C1 | C10 | C11 | 179.9° | 180.0° |
| C10 | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | C10 | C9 | C8 | 0.6° | 0.1° |
| C1 | C10 | C9 | C11 | 179.4° | 179.9° |
| C1 | C10 | C11 | N12 | 163.2° | 96.9° |
| C10 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C10 | C9 | H9 | 179.5° | 180.0° |
| C1 | C10 | C11 | H11 | 76.8° | 143.2° |
| C1 | C10 | C11 | H11A | 43.3° | 23.2° |
| C2 | C3 | C4 | C8 | 179.4° | 179.9° |
| C2 | C3 | C4 | F5 | 16.1° | 90.0° |
| C2 | C3 | C4 | F6 | 106.1° | 150.0° |
| C2 | C3 | C4 | F7 | 134.9° | 30.1° |
| C2 | C3 | C8 | C9 | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 179.6° | 179.8° |
| C2 | C3 | C8 | H8 | 179.9° | 180.0° |
| C3 | C4 | F5 | F6 | 122.5° | 120.0° |
| C3 | C4 | F5 | F7 | 119.5° | 120.1° |
| C3 | C4 | F6 | F7 | 119.8° | 120.0° |
| C4 | C3 | C8 | C9 | 179.3° | 180.0° |
| C4 | C3 | C2 | H2 | 0.6° | 0.0° |
| C4 | C3 | C8 | H8 | 0.7° | 0.1° |
| C8 | C3 | C4 | F5 | 163.2° | 89.9° |
| C8 | C3 | C4 | F6 | 74.5° | 30.0° |
| C8 | C3 | C4 | F7 | 44.5° | 150.0° |
| C3 | C8 | C9 | H8 | 180.0° | 179.9° |
| C3 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C8 | C9 | H9 | 179.8° | 179.9° |
| F5 | C4 | F6 | F7 | 118.1° | 120.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 179.9° | 180.0° |
| C9 | C10 | C11 | N12 | 16.1° | 83.2° |
| C9 | C10 | C1 | H1 | 179.4° | 179.7° |
| C10 | C9 | C8 | H8 | 179.8° | 179.9° |
| C9 | C10 | C11 | H11 | 103.9° | 36.8° |
| C9 | C10 | C11 | H11A | 136.1° | 156.7° |
| C10 | C11 | N12 | H11 | 120.0° | 120.0° |
| C10 | C11 | N12 | H11A | 120.0° | 120.1° |
| C10 | C11 | N12 | S13 | 91.6° | 93.3° |
| C10 | C11 | N12 | C25 | 98.6° | 86.7° |
| C11 | C10 | C1 | H1 | 0.0° | 0.2° |
| C11 | C10 | C9 | H9 | 0.1° | 0.1° |
| C10 | C11 | H11 | H11A | 115.3° | 120.0° |
| C11 | N12 | S13 | C25 | 169.3° | 179.9° |
| C11 | N12 | S13 | C14 | 89.6° | 90.0° |
| C11 | N12 | S13 | O23 | 27.5° | 156.4° |
| C11 | N12 | S13 | O24 | 153.9° | 23.5° |
| C11 | N12 | C25 | C26 | 50.4° | 66.2° |
| C11 | N12 | C25 | C41 | 65.4° | 49.5° |
| N12 | C11 | H11 | H11A | 115.3° | 120.0° |
| C11 | N12 | C25 | H25 | 170.7° | 171.7° |
| N12 | S13 | C14 | O23 | 116.4° | 113.5° |
| N12 | S13 | C14 | O24 | 117.6° | 113.5° |
| N12 | S13 | O23 | O24 | 124.2° | 123.0° |
| N12 | S13 | C14 | C15 | 99.5° | 90.0° |
| N12 | S13 | C14 | C22 | 79.2° | 90.3° |
| S13 | N12 | C25 | C26 | 139.6° | 113.8° |
| S13 | N12 | C25 | C41 | 104.7° | 130.5° |
| S13 | N12 | C11 | H11 | 28.4° | 26.8° |
| S13 | N12 | C11 | H11A | 148.4° | 146.7° |
| S13 | N12 | C25 | H25 | 19.2° | 8.3° |
| C25 | N12 | S13 | C14 | 79.7° | 90.0° |
| C25 | N12 | S13 | O23 | 163.2° | 23.5° |
| C25 | N12 | S13 | O24 | 36.8° | 156.4° |
| N12 | C25 | C26 | C41 | 116.9° | 118.9° |
| N12 | C25 | C26 | H25 | 119.2° | 122.1° |
| N12 | C25 | C41 | H25 | 119.0° | 122.1° |
| N12 | C25 | C26 | N27 | 143.4° | 122.2° |
| N12 | C25 | C26 | C38 | 100.3° | 118.9° |
| N12 | C25 | C41 | N40 | 122.2° | 95.1° |
| C25 | N12 | C11 | H11 | 141.4° | 153.3° |
| C25 | N12 | C11 | H11A | 21.4° | 33.4° |
| N12 | C25 | C26 | H26 | 22.6° | 0.0° |
| N12 | C25 | C41 | H41 | 117.8° | 146.2° |
| N12 | C25 | C41 | H41A | 2.2° | 23.7° |
| C14 | S13 | O23 | O24 | 123.0° | 122.9° |
| S13 | C14 | C15 | C22 | 178.7° | 179.7° |
| S13 | C14 | C15 | C16 | 178.9° | 180.0° |
| S13 | C14 | C22 | C21 | 179.3° | 179.8° |
| S13 | C14 | C15 | H15 | 1.1° | 0.1° |
| S13 | C14 | C22 | H22 | 0.7° | 0.0° |
| O23 | S13 | C14 | C15 | 144.1° | 23.5° |
| O23 | S13 | C14 | C22 | 37.2° | 156.2° |
| O24 | S13 | C14 | C15 | 18.0° | 156.4° |
| O24 | S13 | C14 | C22 | 163.3° | 23.3° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C15 | C14 | C22 | C21 | 0.6° | 0.6° |
| C14 | C15 | C16 | H16 | 179.7° | 179.9° |
| C15 | C14 | C22 | H22 | 179.4° | 179.7° |
| C22 | C14 | C15 | C16 | 0.2° | 0.3° |
| C14 | C22 | C21 | C17 | 0.5° | 0.5° |
| C14 | C22 | C21 | H22 | 180.0° | 179.8° |
| C22 | C14 | C15 | H15 | 179.8° | 179.8° |
| C14 | C22 | C21 | H21 | 179.5° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.9° | 180.0° |
| C15 | C16 | C17 | C21 | 0.4° | 0.1° |
| C16 | C17 | C18 | C21 | 179.7° | 179.9° |
| C16 | C17 | C18 | O19 | 160.5° | 0.1° |
| C16 | C17 | C18 | N20 | 19.1° | 180.0° |
| C16 | C17 | C21 | C22 | 0.0° | 0.3° |
| C17 | C16 | C15 | H15 | 179.7° | 180.0° |
| C16 | C17 | C21 | H21 | 180.0° | 179.9° |
| C17 | C18 | O19 | N20 | 179.6° | 179.9° |
| C18 | C17 | C21 | C22 | 179.7° | 179.8° |
| C18 | C17 | C16 | H16 | 0.1° | 0.0° |
| C17 | C18 | N20 | HN20 | 179.6° | 0.1° |
| C17 | C18 | N20 | HN2A | 0.4° | 180.0° |
| C18 | C17 | C21 | H21 | 0.3° | 0.0° |
| C21 | C17 | C18 | O19 | 19.2° | 180.0° |
| C21 | C17 | C18 | N20 | 161.2° | 0.0° |
| C17 | C21 | C22 | H21 | 180.0° | 179.8° |
| C21 | C17 | C16 | H16 | 179.6° | 180.0° |
| C17 | C21 | C22 | H22 | 179.5° | 179.7° |
| O19 | C18 | N20 | HN20 | 0.0° | 180.0° |
| O19 | C18 | N20 | HN2A | 180.0° | 0.0° |
| C18 | N20 | HN20 | HN2A | 180.0° | 180.0° |
| C26 | C25 | C41 | H25 | 120.0° | 119.0° |
| C25 | C26 | N27 | C38 | 115.9° | 115.6° |
| C25 | C26 | N27 | H26 | 121.2° | 122.2° |
| C25 | C26 | C38 | H26 | 121.0° | 118.9° |
| C25 | C26 | N27 | C28 | 85.1° | 155.0° |
| C25 | C26 | C38 | N40 | 27.9° | 23.8° |
| C26 | C25 | C41 | N40 | 1.2° | 23.9° |
| C25 | C26 | N27 | HN27 | 34.9° | 31.1° |
| C25 | C26 | C38 | H38 | 92.2° | 142.6° |
| C25 | C26 | C38 | H38A | 147.9° | 94.9° |
| C26 | C25 | C41 | H41 | 121.2° | 94.9° |
| C26 | C25 | C41 | H41A | 118.8° | 142.7° |
| C41 | C25 | C26 | N27 | 99.7° | 118.9° |
| C41 | C25 | C26 | C38 | 16.6° | 0.0° |
| C25 | C41 | N40 | C38 | 20.3° | 39.5° |
| C25 | C41 | N40 | H41 | 120.0° | 118.8° |
| C25 | C41 | N40 | H41A | 120.0° | 118.8° |
| C41 | C25 | C26 | H26 | 139.5° | 118.9° |
| C25 | C41 | N40 | HN40 | 140.3° | 80.1° |
| C25 | C41 | H41 | H41A | 122.0° | 122.4° |
| N27 | C26 | C38 | H26 | 120.6° | 122.2° |
| C26 | N27 | C28 | HN27 | 120.0° | 124.0° |
| C26 | N27 | C28 | C29 | 79.5° | 180.0° |
| N27 | C26 | C38 | N40 | 90.5° | 142.8° |
| N27 | C26 | C25 | H25 | 24.1° | 0.1° |
| C26 | N27 | C28 | H28 | 40.5° | 60.0° |
| C26 | N27 | C28 | H28A | 160.5° | 60.0° |
| N27 | C26 | C38 | H38 | 149.5° | 98.4° |
| N27 | C26 | C38 | H38A | 29.5° | 24.0° |
| C38 | C26 | N27 | C28 | 159.0° | 89.3° |
| C26 | C38 | N40 | H38 | 120.0° | 118.8° |
| C26 | C38 | N40 | H38A | 120.0° | 118.7° |
| C26 | C38 | N40 | C41 | 30.4° | 39.5° |
| C38 | C26 | C25 | H25 | 140.4° | 119.0° |
| C38 | C26 | N27 | HN27 | 81.0° | 146.7° |
| C26 | C38 | H38 | H38A | 122.9° | 122.4° |
| C26 | C38 | N40 | HN40 | 150.4° | 80.1° |
| N27 | C28 | C29 | H28 | 120.0° | 120.0° |
| N27 | C28 | C29 | H28A | 120.0° | 120.0° |
| N27 | C28 | C29 | C30 | 75.7° | 90.0° |
| N27 | C28 | C29 | C37 | 101.5° | 90.3° |
| C28 | N27 | C26 | H26 | 36.1° | 32.8° |
| N27 | C28 | H28 | H28A | 121.1° | 120.0° |
| C28 | C29 | C30 | C37 | 177.2° | 179.7° |
| C28 | C29 | C30 | C31 | 179.1° | 180.0° |
| C28 | C29 | C37 | C36 | 178.3° | 179.7° |
| C29 | C28 | N27 | HN27 | 160.5° | 56.0° |
| C29 | C28 | H28 | H28A | 121.2° | 120.0° |
| C28 | C29 | C30 | H30 | 0.9° | 0.0° |
| C28 | C29 | C37 | H37 | 1.7° | 0.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 1.5° | 0.0° |
| C30 | C29 | C37 | C36 | 1.2° | 0.5° |
| C30 | C29 | C28 | H28 | 164.3° | 30.0° |
| C30 | C29 | C28 | H28A | 44.3° | 150.0° |
| C29 | C30 | C31 | H31 | 178.4° | 180.0° |
| C30 | C29 | C37 | H37 | 178.8° | 179.7° |
| C37 | C29 | C30 | C31 | 1.9° | 0.3° |
| C29 | C37 | C36 | C32 | 0.2° | 0.5° |
| C29 | C37 | C36 | H37 | 180.0° | 179.7° |
| C37 | C29 | C28 | H28 | 18.5° | 149.8° |
| C37 | C29 | C28 | H28A | 138.5° | 29.8° |
| C37 | C29 | C30 | H30 | 178.1° | 179.7° |
| C29 | C37 | C36 | H36 | 179.8° | 179.7° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 178.5° | 180.0° |
| C30 | C31 | C32 | C36 | 0.6° | 0.0° |
| C31 | C32 | C33 | C36 | 179.0° | 180.0° |
| C31 | C32 | C33 | N34 | 171.1° | 180.0° |
| C31 | C32 | C33 | O35 | 12.2° | 0.0° |
| C31 | C32 | C36 | C37 | 0.1° | 0.3° |
| C32 | C31 | C30 | H30 | 178.5° | 180.0° |
| C31 | C32 | C36 | H36 | 179.9° | 180.0° |
| C32 | C33 | N34 | O35 | 176.6° | 180.0° |
| C33 | C32 | C36 | C37 | 179.1° | 179.7° |
| C33 | C32 | C31 | H31 | 1.5° | 0.0° |
| C32 | C33 | N34 | HN34 | 176.6° | 0.1° |
| C32 | C33 | N34 | HN3A | 3.4° | 180.0° |
| C33 | C32 | C36 | H36 | 0.9° | 0.0° |
| C36 | C32 | C33 | N34 | 9.9° | 0.1° |
| C36 | C32 | C33 | O35 | 166.9° | 180.0° |
| C32 | C36 | C37 | H36 | 180.0° | 179.8° |
| C36 | C32 | C31 | H31 | 179.4° | 180.0° |
| C32 | C36 | C37 | H37 | 179.8° | 179.7° |
| C33 | N34 | HN34 | HN3A | 180.0° | 179.9° |
| O35 | C33 | N34 | HN34 | 0.0° | 180.0° |
| O35 | C33 | N34 | HN3A | 180.0° | 0.0° |
| C38 | N40 | C41 | HN40 | 120.0° | 119.6° |
| N40 | C38 | C26 | H26 | 148.9° | 95.1° |
| N40 | C38 | H38 | H38A | 122.9° | 122.5° |
| C38 | N40 | C41 | H41 | 140.4° | 79.3° |
| C38 | N40 | C41 | H41A | 99.6° | 158.3° |
| N40 | C41 | C25 | H25 | 118.8° | 142.8° |
| C41 | N40 | C38 | H38 | 89.6° | 158.3° |
| C41 | N40 | C38 | H38A | 150.4° | 79.2° |
| N40 | C41 | H41 | H41A | 122.0° | 122.4° |
| H1 | C1 | C2 | H2 | 0.4° | 0.3° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
| H15 | C15 | C16 | H16 | 0.3° | 0.1° |
| H21 | C21 | C22 | H22 | 0.5° | 0.1° |
| H25 | C25 | C26 | H26 | 96.7° | 122.0° |
| H25 | C25 | C41 | H41 | 1.2° | 24.0° |
| H25 | C25 | C41 | H41A | 121.2° | 98.4° |
| H26 | C26 | N27 | HN27 | 156.1° | 91.1° |
| H26 | C26 | C38 | H38 | 28.9° | 23.7° |
| H26 | C26 | C38 | H38A | 91.1° | 146.2° |
| HN27 | N27 | C28 | H28 | 79.5° | 176.0° |
| HN27 | N27 | C28 | H28A | 40.5° | 64.0° |
| H30 | C30 | C31 | H31 | 1.6° | 0.0° |
| H36 | C36 | C37 | H37 | 0.2° | 0.0° |
| H38 | C38 | N40 | HN40 | 30.4° | 38.7° |
| H38A | C38 | N40 | HN40 | 89.6° | 161.2° |
| HN40 | N40 | C41 | H41 | 99.7° | 161.1° |
| HN40 | N40 | C41 | H41A | 20.3° | 38.7° |
