QNE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.42Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | F1 | sing | 1.40Å | 1.39Å | |
| C15 | C17 | sing | 1.53Å | 1.47Å | |
| C13 | N2 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | C22 | sing | 1.51Å | 1.51Å | |
| N2 | C18 | sing | 1.47Å | 1.48Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.38Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.39Å | |
| C3 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C4 | sing | 1.47Å | 1.45Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C27 | sing | 1.42Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | C9 | sing | 1.54Å | 1.53Å | |
| C5 | N1 | sing | 1.47Å | 1.48Å | |
| C27 | C25 | sing | 1.47Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C26 | N4 | sing | 1.34Å | 1.32Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.36Å | Aromatic |
| C9 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | F | sing | 1.40Å | 1.38Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| N | H31 | sing | 0.97Å | 1.00Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C6 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 117.5° | 117.0° |
| O | C | H28 | 109.5° | 109.5° |
| O | C | H29 | 109.5° | 109.5° |
| O | C | H30 | 109.5° | 109.5° |
| O | C1 | C2 | 123.1° | 120.0° |
| O | C1 | C12 | 115.4° | 120.0° |
| C19 | C18 | N2 | 112.2° | 109.7° |
| C19 | C18 | C20 | 112.6° | 109.8° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.4° |
| C18 | C19 | H17 | 109.5° | 109.4° |
| C19 | C18 | H24 | 107.5° | 109.7° |
| C15 | C16 | C17 | 59.4° | 60.0° |
| C16 | C15 | C14 | 122.0° | 117.5° |
| C16 | C15 | F1 | 117.0° | 117.5° |
| C16 | C15 | C17 | 61.1° | 60.0° |
| C15 | C16 | H13 | 120.1° | 117.5° |
| C15 | C16 | H14 | 120.1° | 117.5° |
| C16 | C17 | C15 | 59.5° | 60.0° |
| C17 | C16 | H13 | 120.1° | 117.5° |
| C17 | C16 | H14 | 120.1° | 117.5° |
| C16 | C17 | H21 | 120.1° | 117.5° |
| C16 | C17 | H22 | 120.1° | 117.5° |
| C15 | C14 | N2 | 120.4° | 109.5° |
| C14 | C15 | F1 | 113.6° | 115.5° |
| C14 | C15 | C17 | 117.8° | 117.5° |
| C15 | C14 | H11 | 106.7° | 109.5° |
| C15 | C14 | H12 | 106.6° | 109.5° |
| C14 | N2 | C13 | 111.9° | 111.0° |
| C14 | N2 | C18 | 114.1° | 111.0° |
| N2 | C14 | H11 | 106.7° | 109.5° |
| N2 | C14 | H12 | 106.7° | 109.5° |
| C2 | C1 | C12 | 121.5° | 120.0° |
| C1 | C2 | C3 | 119.6° | 119.9° |
| C1 | C2 | H1 | 120.2° | 120.0° |
| C1 | C12 | C13 | 121.0° | 119.9° |
| C1 | C12 | C11 | 117.9° | 120.1° |
| C2 | C3 | N | 120.0° | 120.0° |
| C2 | C3 | C10 | 119.6° | 119.9° |
| C3 | C2 | H1 | 120.2° | 120.1° |
| F1 | C15 | C17 | 115.4° | 117.5° |
| C15 | C17 | H21 | 120.1° | 117.5° |
| C15 | C17 | H22 | 120.1° | 117.5° |
| N2 | C13 | C12 | 109.5° | 109.2° |
| N2 | C13 | C22 | 112.2° | 110.7° |
| C13 | N2 | C18 | 115.1° | 110.0° |
| N2 | C13 | H10 | 109.9° | 109.2° |
| C12 | C13 | C22 | 106.5° | 109.2° |
| C13 | C12 | C11 | 121.1° | 119.9° |
| C12 | C13 | H10 | 109.2° | 109.2° |
| C13 | C22 | C23 | 119.5° | 117.4° |
| C13 | C22 | C21 | 120.8° | 121.7° |
| C22 | C13 | H10 | 109.3° | 109.2° |
| N2 | C18 | C20 | 108.6° | 108.2° |
| N2 | C18 | H24 | 108.0° | 109.7° |
| C18 | C20 | C21 | 112.9° | 110.2° |
| C18 | C20 | H18 | 108.6° | 109.4° |
| C18 | C20 | H19 | 108.6° | 109.2° |
| C20 | C18 | H24 | 107.6° | 109.8° |
| C12 | C11 | C10 | 121.2° | 120.1° |
| C12 | C11 | H9 | 119.4° | 119.9° |
| C23 | C22 | C21 | 119.8° | 120.9° |
| C22 | C23 | C24 | 121.7° | 122.6° |
| C22 | C23 | H27 | 119.1° | 118.7° |
| C22 | C21 | C20 | 121.6° | 122.1° |
| C22 | C21 | C27 | 119.6° | 119.6° |
| C23 | C24 | C25 | 118.4° | 119.5° |
| C23 | C24 | H20 | 120.8° | 120.3° |
| C24 | C23 | H27 | 119.2° | 118.7° |
| N | C3 | C10 | 120.4° | 120.1° |
| C3 | N | C4 | 122.8° | 120.0° |
| C3 | N | H31 | 106.1° | 120.0° |
| C3 | C10 | C11 | 120.1° | 120.1° |
| C3 | C10 | H8 | 119.9° | 119.9° |
| N | C4 | C5 | 116.8° | 114.2° |
| N | C4 | C9 | 117.5° | 114.2° |
| C4 | N | H31 | 106.0° | 120.0° |
| N | C4 | H32 | 111.9° | 113.3° |
| C20 | C21 | C27 | 118.8° | 118.3° |
| C21 | C20 | H18 | 108.6° | 109.4° |
| C21 | C20 | H19 | 108.6° | 109.3° |
| C21 | C27 | C25 | 118.4° | 119.2° |
| C21 | C27 | C26 | 137.1° | 134.4° |
| C11 | C10 | H8 | 119.9° | 120.0° |
| C10 | C11 | H9 | 119.4° | 120.0° |
| C24 | C25 | C27 | 122.1° | 118.3° |
| C24 | C25 | N3 | 131.5° | 134.9° |
| C25 | C24 | H20 | 120.8° | 120.2° |
| C5 | C4 | C9 | 87.0° | 83.6° |
| C4 | C5 | N1 | 89.1° | 87.9° |
| C5 | C4 | H32 | 110.7° | 114.2° |
| C4 | C5 | H34 | 114.3° | 113.5° |
| C4 | C5 | H35 | 114.3° | 113.5° |
| C4 | C9 | N1 | 89.0° | 87.9° |
| C4 | C9 | H6 | 114.3° | 113.5° |
| C4 | C9 | H7 | 114.3° | 113.5° |
| C9 | C4 | H32 | 110.7° | 114.3° |
| C5 | N1 | C9 | 90.8° | 87.8° |
| C5 | N1 | C6 | 114.9° | 111.0° |
| N1 | C5 | H34 | 114.3° | 113.5° |
| N1 | C5 | H35 | 114.3° | 113.5° |
| C25 | C27 | C26 | 104.5° | 106.4° |
| C27 | C25 | N3 | 106.4° | 106.8° |
| C27 | C26 | N4 | 111.5° | 107.9° |
| C27 | C26 | H25 | 124.3° | 126.0° |
| C25 | N3 | N4 | 111.7° | 108.9° |
| C26 | N4 | N3 | 106.0° | 109.9° |
| N4 | C26 | H25 | 124.3° | 126.1° |
| C26 | N4 | H26 | 127.0° | 125.0° |
| N3 | N4 | H26 | 127.0° | 125.1° |
| C9 | N1 | C6 | 115.5° | 111.0° |
| N1 | C9 | H6 | 114.3° | 113.5° |
| N1 | C9 | H7 | 114.3° | 113.5° |
| N1 | C6 | C7 | 113.4° | 109.5° |
| N1 | C6 | H36 | 108.5° | 109.5° |
| N1 | C6 | H37 | 108.5° | 109.5° |
| C6 | C7 | C8 | 112.5° | 109.5° |
| C6 | C7 | H2 | 108.7° | 109.5° |
| C6 | C7 | H3 | 108.7° | 109.5° |
| C7 | C6 | H36 | 108.5° | 109.5° |
| C7 | C6 | H37 | 108.5° | 109.5° |
| C7 | C8 | F | 109.6° | 109.4° |
| C8 | C7 | H2 | 108.7° | 109.5° |
| C8 | C7 | H3 | 108.7° | 109.5° |
| C7 | C8 | H4 | 109.5° | 109.4° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| F | C8 | H4 | 109.4° | 109.5° |
| F | C8 | H5 | 109.4° | 109.4° |
| H2 | C7 | H3 | 109.4° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.6° |
| H6 | C9 | H7 | 109.5° | 112.7° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.4° | 115.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.5° | 115.5° |
| H28 | C | H29 | 109.4° | 109.4° |
| H28 | C | H30 | 109.5° | 109.5° |
| H29 | C | H30 | 109.5° | 109.4° |
| H34 | C5 | H35 | 109.5° | 112.8° |
| H36 | C6 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 0.8° | 0.1° |
| C | O | C1 | C12 | 179.4° | 179.7° |
| O | C | H28 | H29 | 120.0° | 120.0° |
| O | C | H28 | H30 | 120.0° | 120.1° |
| O | C | H29 | H30 | 120.0° | 120.0° |
| O | C1 | C2 | C12 | 179.8° | 179.7° |
| O | C1 | C2 | C3 | 180.0° | 179.7° |
| O | C1 | C12 | C13 | 0.7° | 0.3° |
| O | C1 | C12 | C11 | 179.5° | 179.7° |
| O | C1 | C2 | H1 | 0.1° | 0.4° |
| C1 | O | C | H28 | 180.0° | 180.0° |
| C1 | O | C | H29 | 60.0° | 60.0° |
| C1 | O | C | H30 | 60.0° | 60.0° |
| C19 | C18 | N2 | C14 | 69.5° | 74.2° |
| C19 | C18 | N2 | C13 | 61.9° | 49.1° |
| C19 | C18 | N2 | C20 | 125.2° | 119.7° |
| C19 | C18 | N2 | H24 | 118.4° | 120.6° |
| C19 | C18 | C20 | H24 | 118.3° | 120.7° |
| C19 | C18 | C20 | C21 | 77.4° | 69.8° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C19 | C18 | C20 | H18 | 43.1° | 169.9° |
| C19 | C18 | C20 | H19 | 162.1° | 50.2° |
| C15 | C16 | C17 | H13 | 109.3° | 107.5° |
| C15 | C16 | C17 | H14 | 109.3° | 107.5° |
| C16 | C15 | C14 | F1 | 149.0° | 145.7° |
| C16 | C15 | C14 | C17 | 71.7° | 68.7° |
| C16 | C15 | C14 | N2 | 148.7° | 116.2° |
| C16 | C15 | F1 | C17 | 69.0° | 68.7° |
| C16 | C15 | C14 | H11 | 27.1° | 123.8° |
| C16 | C15 | C14 | H12 | 89.8° | 3.8° |
| C15 | C16 | H13 | H14 | 145.0° | 145.7° |
| C15 | C16 | C17 | H21 | 109.3° | 107.5° |
| C15 | C16 | C17 | H22 | 109.3° | 107.5° |
| C17 | C16 | H13 | H14 | 145.0° | 145.7° |
| C16 | C17 | H21 | H22 | 145.0° | 145.6° |
| C15 | C14 | N2 | H11 | 121.6° | 120.0° |
| C15 | C14 | N2 | H12 | 121.5° | 120.0° |
| C14 | C15 | F1 | C17 | 140.4° | 145.7° |
| C15 | C14 | N2 | C13 | 130.2° | 170.0° |
| C15 | C14 | N2 | C18 | 96.9° | 67.3° |
| C15 | C14 | H11 | H12 | 115.0° | 120.0° |
| C14 | C15 | C16 | H13 | 144.2° | 145.0° |
| C14 | C15 | C16 | H14 | 2.9° | 0.0° |
| C14 | C15 | C17 | H21 | 137.6° | 0.0° |
| C14 | C15 | C17 | H22 | 3.8° | 145.0° |
| N2 | C14 | C15 | F1 | 62.3° | 29.4° |
| N2 | C14 | C15 | C17 | 77.0° | 175.1° |
| C14 | N2 | C13 | C18 | 132.4° | 123.3° |
| C14 | N2 | C13 | C12 | 64.9° | 63.7° |
| C14 | N2 | C13 | C22 | 177.0° | 175.9° |
| C14 | N2 | C18 | C20 | 165.3° | 166.1° |
| C14 | N2 | C13 | H10 | 55.1° | 55.7° |
| N2 | C14 | H11 | H12 | 115.1° | 120.0° |
| C14 | N2 | C18 | H24 | 48.9° | 46.4° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C12 | C13 | 179.4° | 180.0° |
| C2 | C1 | C12 | C11 | 0.6° | 0.1° |
| C1 | C2 | C3 | N | 179.9° | 179.9° |
| C1 | C2 | C3 | C10 | 0.1° | 0.0° |
| C12 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C12 | C13 | N2 | 109.1° | 46.2° |
| C1 | C12 | C13 | C11 | 178.8° | 180.0° |
| C1 | C12 | C13 | C22 | 129.3° | 75.0° |
| C1 | C12 | C11 | C10 | 0.7° | 0.0° |
| C12 | C1 | C2 | H1 | 179.8° | 180.0° |
| C1 | C12 | C11 | H9 | 179.3° | 180.0° |
| C1 | C12 | C13 | H10 | 11.3° | 165.6° |
| C2 | C3 | N | C10 | 179.8° | 179.9° |
| C2 | C3 | N | C4 | 119.1° | 180.0° |
| C2 | C3 | C10 | C11 | 0.0° | 0.0° |
| C2 | C3 | C10 | H8 | 180.0° | 180.0° |
| C2 | C3 | N | H31 | 119.1° | 0.1° |
| F1 | C15 | C14 | H11 | 176.1° | 90.6° |
| F1 | C15 | C14 | H12 | 59.2° | 149.4° |
| F1 | C15 | C16 | H13 | 3.8° | 0.0° |
| F1 | C15 | C16 | H14 | 145.1° | 145.0° |
| F1 | C15 | C17 | H21 | 1.1° | 145.0° |
| F1 | C15 | C17 | H22 | 142.5° | 0.1° |
| C17 | C15 | C14 | H11 | 44.5° | 55.1° |
| C17 | C15 | C14 | H12 | 161.4° | 64.9° |
| C15 | C17 | H21 | H22 | 145.0° | 145.8° |
| N2 | C13 | C12 | C22 | 121.6° | 121.2° |
| N2 | C13 | C12 | H10 | 120.4° | 119.3° |
| N2 | C13 | C22 | H10 | 122.2° | 120.3° |
| C13 | N2 | C18 | C20 | 63.4° | 70.7° |
| N2 | C13 | C12 | C11 | 69.6° | 133.8° |
| N2 | C13 | C22 | C23 | 168.5° | 162.2° |
| N2 | C13 | C22 | C21 | 11.9° | 17.9° |
| C13 | N2 | C14 | H11 | 8.6° | 50.0° |
| C13 | N2 | C14 | H12 | 108.3° | 70.0° |
| C13 | N2 | C18 | H24 | 179.8° | 169.7° |
| C12 | C13 | C22 | H10 | 117.9° | 119.4° |
| C12 | C13 | N2 | C18 | 162.7° | 173.0° |
| C12 | C13 | C22 | C23 | 48.7° | 41.9° |
| C12 | C13 | C22 | C21 | 131.7° | 138.2° |
| C13 | C12 | C11 | C10 | 179.5° | 180.0° |
| C13 | C12 | C11 | H9 | 0.5° | 0.0° |
| C22 | C13 | N2 | C18 | 44.6° | 52.7° |
| C22 | C13 | C12 | C11 | 52.0° | 105.0° |
| C13 | C22 | C23 | C21 | 179.6° | 179.9° |
| C13 | C22 | C23 | C24 | 179.9° | 179.8° |
| C13 | C22 | C21 | C20 | 0.0° | 0.5° |
| C13 | C22 | C21 | C27 | 179.7° | 179.6° |
| C13 | C22 | C23 | H27 | 0.1° | 0.3° |
| N2 | C18 | C20 | H24 | 116.7° | 119.6° |
| N2 | C18 | C20 | C21 | 47.6° | 49.9° |
| C18 | N2 | C13 | H10 | 77.3° | 67.6° |
| C18 | N2 | C14 | H11 | 141.5° | 172.7° |
| C18 | N2 | C14 | H12 | 24.6° | 52.7° |
| N2 | C18 | C19 | H15 | 180.0° | 60.0° |
| N2 | C18 | C19 | H16 | 60.0° | 180.0° |
| N2 | C18 | C19 | H17 | 60.0° | 60.0° |
| N2 | C18 | C20 | H18 | 168.1° | 70.4° |
| N2 | C18 | C20 | H19 | 72.9° | 170.0° |
| C18 | C20 | C21 | C22 | 18.5° | 16.7° |
| C18 | C20 | C21 | H18 | 120.5° | 120.3° |
| C18 | C20 | C21 | H19 | 120.5° | 120.0° |
| C18 | C20 | C21 | C27 | 161.2° | 163.4° |
| C20 | C18 | C19 | H15 | 57.0° | 178.8° |
| C20 | C18 | C19 | H16 | 63.0° | 61.2° |
| C20 | C18 | C19 | H17 | 177.0° | 58.8° |
| C18 | C20 | H18 | H19 | 118.5° | 119.5° |
| C12 | C11 | C10 | C3 | 0.4° | 0.0° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | H8 | 179.6° | 180.0° |
| C11 | C12 | C13 | H10 | 169.9° | 14.5° |
| C22 | C23 | C24 | H27 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 179.6° | 179.6° |
| C23 | C22 | C21 | C27 | 0.1° | 0.3° |
| C22 | C23 | C24 | C25 | 0.3° | 0.1° |
| C23 | C22 | C13 | H10 | 69.2° | 77.5° |
| C22 | C23 | C24 | H20 | 179.6° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C22 | C21 | C20 | C27 | 179.7° | 179.9° |
| C22 | C21 | C27 | C25 | 0.0° | 0.3° |
| C22 | C21 | C27 | C26 | 179.9° | 179.8° |
| C21 | C22 | C13 | H10 | 110.4° | 102.4° |
| C22 | C21 | C20 | H18 | 139.0° | 103.6° |
| C22 | C21 | C20 | H19 | 102.0° | 136.7° |
| C21 | C22 | C23 | H27 | 179.7° | 179.8° |
| C23 | C24 | C25 | H20 | 180.0° | 180.0° |
| C23 | C24 | C25 | C27 | 0.1° | 0.1° |
| C23 | C24 | C25 | N3 | 179.9° | 179.8° |
| C3 | N | C4 | H31 | 121.8° | 179.9° |
| N | C3 | C10 | C11 | 179.8° | 179.9° |
| C3 | N | C4 | C5 | 176.8° | 155.0° |
| C3 | N | C4 | C9 | 81.8° | 111.2° |
| N | C3 | C2 | H1 | 0.1° | 0.0° |
| N | C3 | C10 | H8 | 0.2° | 0.1° |
| C3 | N | C4 | H32 | 47.8° | 22.0° |
| C10 | C3 | N | C4 | 61.1° | 0.1° |
| C3 | C10 | C11 | H8 | 180.0° | 180.0° |
| C10 | C3 | C2 | H1 | 179.9° | 179.9° |
| C3 | C10 | C11 | H9 | 179.6° | 180.0° |
| C10 | C3 | N | H31 | 60.8° | 180.0° |
| N | C4 | C5 | C9 | 119.4° | 113.6° |
| N | C4 | C5 | H32 | 129.6° | 132.5° |
| N | C4 | C9 | H32 | 130.2° | 132.7° |
| N | C4 | C5 | N1 | 104.4° | 87.6° |
| N | C4 | C9 | N1 | 103.8° | 87.6° |
| N | C4 | C9 | H6 | 139.8° | 157.6° |
| N | C4 | C9 | H7 | 12.5° | 27.2° |
| N | C4 | C5 | H34 | 11.9° | 27.2° |
| N | C4 | C5 | H35 | 139.2° | 157.6° |
| C20 | C21 | C27 | C25 | 179.8° | 179.6° |
| C20 | C21 | C27 | C26 | 0.4° | 0.3° |
| C21 | C20 | H18 | H19 | 118.4° | 119.6° |
| C21 | C20 | C18 | H24 | 164.2° | 169.6° |
| C21 | C27 | C25 | C24 | 0.0° | 0.1° |
| C21 | C27 | C25 | C26 | 179.9° | 180.0° |
| C21 | C27 | C25 | N3 | 179.9° | 180.0° |
| C21 | C27 | C26 | N4 | 179.8° | 180.0° |
| C27 | C21 | C20 | H18 | 40.7° | 76.2° |
| C27 | C21 | C20 | H19 | 78.3° | 43.5° |
| C21 | C27 | C26 | H25 | 0.2° | 0.0° |
| C24 | C25 | C27 | N3 | 180.0° | 179.9° |
| C24 | C25 | C27 | C26 | 179.9° | 180.0° |
| C24 | C25 | N3 | N4 | 179.9° | 180.0° |
| C25 | C24 | C23 | H27 | 179.7° | 180.0° |
| C5 | C4 | C9 | H32 | 111.0° | 113.7° |
| C4 | C5 | N1 | H34 | 116.4° | 114.8° |
| C4 | C5 | N1 | H35 | 116.4° | 114.8° |
| C5 | C4 | C9 | N1 | 15.0° | 26.0° |
| C4 | C5 | N1 | C6 | 134.3° | 138.7° |
| C5 | C4 | C9 | H6 | 101.4° | 88.8° |
| C5 | C4 | C9 | H7 | 131.4° | 140.8° |
| C5 | C4 | N | H31 | 61.3° | 24.9° |
| C4 | C5 | H34 | H35 | 129.7° | 130.8° |
| C4 | C9 | N1 | H6 | 116.4° | 114.8° |
| C4 | C9 | N1 | H7 | 116.4° | 114.8° |
| C4 | C9 | N1 | C6 | 133.7° | 138.7° |
| C4 | C9 | H6 | H7 | 129.7° | 130.8° |
| C9 | C4 | N | H31 | 40.0° | 68.9° |
| C9 | C4 | C5 | H34 | 131.3° | 140.8° |
| C9 | C4 | C5 | H35 | 101.4° | 88.8° |
| C5 | N1 | C9 | C6 | 118.3° | 111.7° |
| C5 | N1 | C6 | C7 | 56.7° | 94.0° |
| C5 | N1 | C9 | H6 | 100.9° | 87.7° |
| C5 | N1 | C9 | H7 | 131.8° | 141.8° |
| N1 | C5 | C4 | H32 | 126.0° | 139.9° |
| N1 | C5 | H34 | H35 | 129.7° | 130.8° |
| C5 | N1 | C6 | H36 | 63.9° | 146.0° |
| C5 | N1 | C6 | H37 | 177.2° | 26.0° |
| C25 | C27 | C26 | N4 | 0.1° | 0.0° |
| C27 | C25 | N3 | N4 | 0.1° | 0.0° |
| C27 | C25 | C24 | H20 | 179.8° | 179.9° |
| C25 | C27 | C26 | H25 | 180.0° | 180.0° |
| C26 | C27 | C25 | N3 | 0.0° | 0.0° |
| C27 | C26 | N4 | H25 | 180.0° | 180.0° |
| C27 | C26 | N4 | N3 | 0.1° | 0.0° |
| C27 | C26 | N4 | H26 | 179.9° | 180.0° |
| C25 | N3 | N4 | C26 | 0.1° | 0.0° |
| N3 | C25 | C24 | H20 | 0.1° | 0.2° |
| C25 | N3 | N4 | H26 | 179.9° | 180.0° |
| C26 | N4 | N3 | H26 | 180.0° | 180.0° |
| N3 | N4 | C26 | H25 | 179.9° | 180.0° |
| C9 | N1 | C6 | C7 | 160.5° | 170.0° |
| N1 | C9 | H6 | H7 | 129.7° | 130.8° |
| N1 | C9 | C4 | H32 | 126.0° | 139.7° |
| C9 | N1 | C5 | H34 | 131.9° | 141.8° |
| C9 | N1 | C5 | H35 | 100.9° | 87.7° |
| C9 | N1 | C6 | H36 | 39.9° | 50.0° |
| C9 | N1 | C6 | H37 | 78.9° | 70.0° |
| N1 | C6 | C7 | H36 | 120.6° | 120.0° |
| N1 | C6 | C7 | H37 | 120.6° | 120.0° |
| N1 | C6 | C7 | C8 | 138.3° | 180.0° |
| N1 | C6 | C7 | H2 | 17.9° | 60.0° |
| N1 | C6 | C7 | H3 | 101.2° | 60.0° |
| C6 | N1 | C9 | H6 | 17.4° | 24.0° |
| C6 | N1 | C9 | H7 | 109.9° | 106.5° |
| C6 | N1 | C5 | H34 | 109.3° | 106.5° |
| C6 | N1 | C5 | H35 | 17.9° | 23.9° |
| N1 | C6 | H36 | H37 | 118.2° | 120.0° |
| C6 | C7 | C8 | H2 | 120.5° | 120.0° |
| C6 | C7 | C8 | H3 | 120.5° | 120.0° |
| C6 | C7 | C8 | F | 23.4° | 180.0° |
| C6 | C7 | H2 | H3 | 118.6° | 120.0° |
| C6 | C7 | C8 | H4 | 96.6° | 60.1° |
| C6 | C7 | C8 | H5 | 143.4° | 60.0° |
| C7 | C6 | H36 | H37 | 118.2° | 120.0° |
| C7 | C8 | F | H4 | 120.0° | 119.9° |
| C7 | C8 | F | H5 | 120.0° | 120.0° |
| C8 | C7 | H2 | H3 | 118.6° | 120.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.1° |
| C8 | C7 | C6 | H36 | 101.1° | 60.0° |
| C8 | C7 | C6 | H37 | 17.8° | 60.0° |
| F | C8 | C7 | H2 | 143.9° | 60.0° |
| F | C8 | C7 | H3 | 97.0° | 60.0° |
| F | C8 | H4 | H5 | 119.9° | 120.0° |
| H2 | C7 | C8 | H4 | 23.9° | 60.0° |
| H2 | C7 | C8 | H5 | 96.1° | 179.9° |
| H2 | C7 | C6 | H36 | 138.4° | 180.0° |
| H2 | C7 | C6 | H37 | 102.7° | 60.1° |
| H3 | C7 | C8 | H4 | 142.9° | 179.9° |
| H3 | C7 | C8 | H5 | 23.0° | 60.0° |
| H3 | C7 | C6 | H36 | 19.4° | 60.1° |
| H3 | C7 | C6 | H37 | 138.2° | 180.0° |
| H6 | C9 | C4 | H32 | 9.6° | 24.9° |
| H7 | C9 | C4 | H32 | 117.6° | 105.5° |
| H8 | C10 | C11 | H9 | 0.4° | 0.0° |
| H13 | C16 | C17 | H21 | 0.0° | 145.0° |
| H13 | C16 | C17 | H22 | 141.4° | 0.0° |
| H14 | C16 | C17 | H21 | 141.3° | 0.0° |
| H14 | C16 | C17 | H22 | 0.0° | 145.0° |
| H15 | C19 | H16 | H17 | 120.0° | 120.0° |
| H15 | C19 | C18 | H24 | 61.4° | 60.6° |
| H16 | C19 | C18 | H24 | 178.6° | 59.5° |
| H17 | C19 | C18 | H24 | 58.7° | 179.5° |
| H18 | C20 | C18 | H24 | 75.3° | 49.3° |
| H19 | C20 | C18 | H24 | 43.8° | 70.4° |
| H20 | C24 | C23 | H27 | 0.3° | 0.0° |
| H25 | C26 | N4 | H26 | 0.1° | 0.0° |
| H28 | C | H29 | H30 | 120.0° | 119.9° |
| H31 | N | C4 | H32 | 169.6° | 157.9° |
| H32 | C4 | C5 | H34 | 117.7° | 105.4° |
| H32 | C4 | C5 | H35 | 9.6° | 25.1° |
