QNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.53Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | F | sing | 1.40Å | 1.39Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C10 | N2 | sing | 1.47Å | 1.48Å | |
| C10 | C15 | sing | 1.51Å | 1.52Å | |
| C10 | C4 | sing | 1.51Å | 1.51Å | |
| N2 | C1 | sing | 1.47Å | 1.48Å | |
| C15 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C18 | N3 | sing | 1.40Å | 1.39Å | |
| C18 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.35Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| N3 | C19 | sing | 1.46Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| N5 | C25 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C9 | sing | 1.42Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| C19 | C24 | sing | 1.54Å | 1.53Å | |
| C9 | C7 | sing | 1.47Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | N4 | sing | 1.48Å | 1.48Å | |
| C7 | N | doub | 1.32Å | 1.36Å | Aromatic |
| C8 | N1 | sing | 1.34Å | 1.32Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| C24 | N4 | sing | 1.48Å | 1.48Å | |
| N4 | C21 | sing | 1.47Å | 1.47Å | |
| C23 | F1 | sing | 1.40Å | 1.38Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.08Å | 1.08Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| N1 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C14 | C13 | 59.4° | 60.0° |
| C14 | C12 | C11 | 120.6° | 117.5° |
| C14 | C12 | F | 116.0° | 117.5° |
| C14 | C12 | C13 | 61.2° | 60.0° |
| C12 | C14 | H10 | 120.1° | 117.5° |
| C12 | C14 | H11 | 120.1° | 117.5° |
| C14 | C13 | C12 | 59.4° | 60.0° |
| C14 | C13 | H8 | 120.1° | 117.6° |
| C14 | C13 | H9 | 120.1° | 117.5° |
| C13 | C14 | H10 | 120.1° | 117.5° |
| C13 | C14 | H11 | 120.1° | 117.5° |
| C | C1 | N2 | 112.4° | 109.8° |
| C | C1 | C2 | 112.3° | 109.7° |
| C | C1 | H1 | 107.0° | 109.7° |
| C1 | C | H29 | 109.5° | 109.5° |
| C1 | C | H30 | 109.5° | 109.5° |
| C1 | C | H31 | 109.5° | 109.4° |
| C12 | C11 | N2 | 110.6° | 109.5° |
| C11 | C12 | F | 111.7° | 115.5° |
| C11 | C12 | C13 | 122.1° | 117.5° |
| C12 | C11 | H6 | 109.2° | 109.5° |
| C12 | C11 | H7 | 109.2° | 109.5° |
| C11 | N2 | C10 | 110.1° | 111.0° |
| C11 | N2 | C1 | 107.9° | 111.0° |
| N2 | C11 | H6 | 109.2° | 109.5° |
| N2 | C11 | H7 | 109.2° | 109.5° |
| C17 | C16 | C15 | 119.0° | 119.2° |
| C16 | C17 | C18 | 119.6° | 118.4° |
| C17 | C16 | H12 | 120.5° | 120.3° |
| C16 | C17 | H26 | 120.2° | 120.8° |
| C16 | C15 | C10 | 121.1° | 119.5° |
| C16 | C15 | N5 | 122.3° | 121.0° |
| C15 | C16 | H12 | 120.5° | 120.5° |
| C17 | C18 | N3 | 120.8° | 120.5° |
| C17 | C18 | C25 | 117.2° | 119.0° |
| C18 | C17 | H26 | 120.2° | 120.8° |
| F | C12 | C13 | 116.8° | 117.5° |
| C12 | C13 | H8 | 120.1° | 117.6° |
| C12 | C13 | H9 | 120.1° | 117.5° |
| N2 | C10 | C15 | 109.0° | 109.2° |
| N2 | C10 | C4 | 113.0° | 110.7° |
| C10 | N2 | C1 | 113.9° | 110.0° |
| N2 | C10 | H5 | 108.3° | 109.3° |
| C15 | C10 | C4 | 110.9° | 109.2° |
| C10 | C15 | N5 | 116.5° | 119.5° |
| C15 | C10 | H5 | 107.7° | 109.2° |
| C10 | C4 | C5 | 119.0° | 117.4° |
| C10 | C4 | C3 | 121.2° | 121.7° |
| C4 | C10 | H5 | 107.8° | 109.2° |
| N2 | C1 | C2 | 110.4° | 108.2° |
| N2 | C1 | H1 | 107.4° | 109.7° |
| C15 | N5 | C25 | 117.8° | 121.8° |
| C1 | C2 | C3 | 112.8° | 110.2° |
| C2 | C1 | H1 | 107.0° | 109.7° |
| C1 | C2 | H2 | 108.6° | 109.4° |
| C1 | C2 | H3 | 108.7° | 109.4° |
| N3 | C18 | C25 | 122.0° | 120.4° |
| C18 | N3 | C19 | 121.7° | 120.0° |
| C18 | N3 | H25 | 106.4° | 120.0° |
| C18 | C25 | N5 | 124.0° | 120.6° |
| C18 | C25 | H27 | 118.0° | 119.7° |
| C5 | C4 | C3 | 119.8° | 120.9° |
| C4 | C5 | C6 | 121.7° | 122.6° |
| C4 | C5 | H32 | 119.1° | 118.7° |
| C4 | C3 | C2 | 121.3° | 122.1° |
| C4 | C3 | C9 | 119.6° | 119.5° |
| C5 | C6 | C7 | 118.3° | 119.4° |
| C6 | C5 | H32 | 119.1° | 118.7° |
| C5 | C6 | H33 | 120.8° | 120.3° |
| N3 | C19 | C20 | 117.2° | 113.7° |
| N3 | C19 | C24 | 117.2° | 113.8° |
| N3 | C19 | H13 | 111.9° | 113.0° |
| C19 | N3 | H25 | 106.3° | 120.0° |
| C2 | C3 | C9 | 119.1° | 118.3° |
| C3 | C2 | H2 | 108.7° | 109.4° |
| C3 | C2 | H3 | 108.6° | 109.3° |
| N5 | C25 | H27 | 118.0° | 119.7° |
| C3 | C9 | C7 | 118.4° | 119.3° |
| C3 | C9 | C8 | 137.2° | 134.3° |
| C6 | C7 | C9 | 122.1° | 118.2° |
| C6 | C7 | N | 131.5° | 134.9° |
| C7 | C6 | H33 | 120.9° | 120.2° |
| C20 | C19 | C24 | 86.9° | 86.3° |
| C19 | C20 | N4 | 88.1° | 86.2° |
| C20 | C19 | H13 | 110.7° | 113.7° |
| C19 | C20 | H14 | 114.5° | 113.7° |
| C19 | C20 | H15 | 114.5° | 113.7° |
| C19 | C24 | N4 | 88.2° | 86.2° |
| C24 | C19 | H13 | 110.7° | 113.7° |
| C19 | C24 | H20 | 114.5° | 113.8° |
| C19 | C24 | H21 | 114.5° | 113.8° |
| C7 | C9 | C8 | 104.4° | 106.4° |
| C9 | C7 | N | 106.3° | 106.9° |
| C9 | C8 | N1 | 111.5° | 107.8° |
| C9 | C8 | H4 | 124.3° | 126.1° |
| C20 | N4 | C24 | 90.6° | 90.7° |
| C20 | N4 | C21 | 116.8° | 111.0° |
| N4 | C20 | H14 | 114.5° | 113.8° |
| N4 | C20 | H15 | 114.5° | 113.7° |
| C7 | N | N1 | 111.7° | 108.9° |
| C8 | N1 | N | 106.0° | 109.9° |
| N1 | C8 | H4 | 124.2° | 126.1° |
| C8 | N1 | H34 | 127.0° | 125.0° |
| N | N1 | H34 | 127.0° | 125.0° |
| C24 | N4 | C21 | 114.8° | 111.0° |
| N4 | C24 | H20 | 114.5° | 113.7° |
| N4 | C24 | H21 | 114.5° | 113.7° |
| N4 | C21 | C22 | 113.3° | 109.4° |
| N4 | C21 | H16 | 108.5° | 109.5° |
| N4 | C21 | H17 | 108.5° | 109.5° |
| F1 | C23 | C22 | 108.1° | 109.5° |
| F1 | C23 | H22 | 109.8° | 109.5° |
| F1 | C23 | H23 | 109.8° | 109.4° |
| C23 | C22 | C21 | 112.1° | 109.5° |
| C23 | C22 | H18 | 108.8° | 109.5° |
| C23 | C22 | H19 | 108.8° | 109.5° |
| C22 | C23 | H22 | 109.8° | 109.5° |
| C22 | C23 | H23 | 109.8° | 109.5° |
| C22 | C21 | H16 | 108.5° | 109.4° |
| C22 | C21 | H17 | 108.5° | 109.5° |
| C21 | C22 | H18 | 108.8° | 109.5° |
| C21 | C22 | H19 | 108.8° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.2° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.4° | 115.5° |
| H10 | C14 | H11 | 109.5° | 115.6° |
| H14 | C20 | H15 | 109.4° | 113.0° |
| H16 | C21 | H17 | 109.4° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.4° |
| H20 | C24 | H21 | 109.5° | 113.0° |
| H22 | C23 | H23 | 109.5° | 109.4° |
| H29 | C | H30 | 109.5° | 109.5° |
| H29 | C | H31 | 109.4° | 109.4° |
| H30 | C | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C14 | C13 | H10 | 109.3° | 107.5° |
| C12 | C14 | C13 | H11 | 109.3° | 107.5° |
| C14 | C12 | C11 | F | 141.5° | 145.7° |
| C14 | C12 | C11 | C13 | 73.1° | 68.7° |
| C14 | C12 | C11 | N2 | 149.3° | 116.3° |
| C14 | C12 | F | C13 | 69.2° | 68.7° |
| C14 | C12 | C11 | H6 | 29.1° | 123.7° |
| C14 | C12 | C11 | H7 | 90.6° | 3.7° |
| C12 | C14 | C13 | H8 | 109.3° | 107.5° |
| C12 | C14 | C13 | H9 | 109.3° | 107.5° |
| C12 | C14 | H10 | H11 | 145.1° | 145.6° |
| C14 | C13 | H8 | H9 | 145.0° | 145.6° |
| C13 | C14 | H10 | H11 | 145.0° | 145.8° |
| C | C1 | N2 | C11 | 58.1° | 74.1° |
| C | C1 | N2 | C10 | 64.5° | 49.1° |
| C | C1 | N2 | C2 | 126.3° | 119.7° |
| C | C1 | N2 | H1 | 117.4° | 120.6° |
| C | C1 | C2 | H1 | 117.1° | 120.6° |
| C | C1 | C2 | C3 | 79.8° | 69.9° |
| C | C1 | C2 | H2 | 40.7° | 50.3° |
| C | C1 | C2 | H3 | 159.7° | 169.9° |
| C1 | C | H29 | H30 | 120.0° | 120.0° |
| C1 | C | H29 | H31 | 120.0° | 119.9° |
| C1 | C | H30 | H31 | 120.0° | 120.0° |
| C12 | C11 | N2 | H6 | 120.2° | 120.0° |
| C12 | C11 | N2 | H7 | 120.2° | 120.0° |
| C11 | C12 | F | C13 | 147.4° | 145.7° |
| C12 | C11 | N2 | C10 | 134.8° | 170.0° |
| C12 | C11 | N2 | C1 | 100.3° | 67.3° |
| C12 | C11 | H6 | H7 | 119.5° | 120.0° |
| C11 | C12 | C13 | H8 | 140.8° | 0.0° |
| C11 | C12 | C13 | H9 | 0.5° | 145.0° |
| C11 | C12 | C14 | H10 | 138.3° | 145.0° |
| C11 | C12 | C14 | H11 | 3.1° | 0.0° |
| N2 | C11 | C12 | F | 69.2° | 29.4° |
| N2 | C11 | C12 | C13 | 76.2° | 175.1° |
| C11 | N2 | C10 | C1 | 121.3° | 123.2° |
| C11 | N2 | C10 | C15 | 71.3° | 63.8° |
| C11 | N2 | C10 | C4 | 164.9° | 175.9° |
| C11 | N2 | C1 | C2 | 175.7° | 166.1° |
| C11 | N2 | C1 | H1 | 59.4° | 46.5° |
| C11 | N2 | C10 | H5 | 45.6° | 55.7° |
| N2 | C11 | H6 | H7 | 119.5° | 120.0° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C16 | C17 | C18 | H26 | 180.0° | 180.0° |
| C17 | C16 | C15 | C10 | 179.6° | 180.0° |
| C17 | C16 | C15 | N5 | 0.4° | 0.2° |
| C16 | C17 | C18 | N3 | 179.5° | 180.0° |
| C16 | C17 | C18 | C25 | 0.2° | 0.3° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C10 | N2 | 119.2° | 155.3° |
| C16 | C15 | C10 | N5 | 179.2° | 179.8° |
| C16 | C15 | C10 | C4 | 115.8° | 83.5° |
| C16 | C15 | N5 | C25 | 0.5° | 0.2° |
| C16 | C15 | C10 | H5 | 1.9° | 35.8° |
| C15 | C16 | C17 | H26 | 179.8° | 180.0° |
| C17 | C18 | N3 | C25 | 179.3° | 179.7° |
| C17 | C18 | N3 | C19 | 116.5° | 179.8° |
| C17 | C18 | C25 | N5 | 0.3° | 0.3° |
| C18 | C17 | C16 | H12 | 179.8° | 180.0° |
| C17 | C18 | N3 | H25 | 121.8° | 0.3° |
| C17 | C18 | C25 | H27 | 179.7° | 179.7° |
| F | C12 | C11 | H6 | 170.6° | 90.6° |
| F | C12 | C11 | H7 | 50.9° | 149.4° |
| F | C12 | C13 | H8 | 2.9° | 145.0° |
| F | C12 | C13 | H9 | 144.3° | 0.0° |
| F | C12 | C14 | H10 | 1.6° | 0.0° |
| F | C12 | C14 | H11 | 143.0° | 145.0° |
| C13 | C12 | C11 | H6 | 44.0° | 55.1° |
| C13 | C12 | C11 | H7 | 163.7° | 64.9° |
| C12 | C13 | H8 | H9 | 145.0° | 145.7° |
| N2 | C10 | C15 | C4 | 125.0° | 121.2° |
| N2 | C10 | C15 | H5 | 117.2° | 119.4° |
| N2 | C10 | C4 | H5 | 119.6° | 120.3° |
| N2 | C10 | C15 | N5 | 61.6° | 24.9° |
| C10 | N2 | C1 | C2 | 61.7° | 70.6° |
| N2 | C10 | C4 | C5 | 167.8° | 162.2° |
| N2 | C10 | C4 | C3 | 12.5° | 17.9° |
| C10 | N2 | C1 | H1 | 178.1° | 169.7° |
| C10 | N2 | C11 | H6 | 14.7° | 50.0° |
| C10 | N2 | C11 | H7 | 105.0° | 70.0° |
| C15 | C10 | C4 | H5 | 117.7° | 119.4° |
| C15 | C10 | N2 | C1 | 167.4° | 173.0° |
| C15 | C10 | C4 | C5 | 45.1° | 41.9° |
| C15 | C10 | C4 | C3 | 135.2° | 138.2° |
| C10 | C15 | N5 | C25 | 179.8° | 180.0° |
| C10 | C15 | C16 | H12 | 0.4° | 0.0° |
| C4 | C10 | N2 | C1 | 43.6° | 52.7° |
| C4 | C10 | C15 | N5 | 63.4° | 96.3° |
| C10 | C4 | C5 | C3 | 179.7° | 180.0° |
| C10 | C4 | C5 | C6 | 180.0° | 179.8° |
| C10 | C4 | C3 | C2 | 0.1° | 0.4° |
| C10 | C4 | C3 | C9 | 179.9° | 179.6° |
| C10 | C4 | C5 | H32 | 0.0° | 0.3° |
| N2 | C1 | C2 | H1 | 116.6° | 119.6° |
| N2 | C1 | C2 | C3 | 46.5° | 49.8° |
| N2 | C1 | C2 | H2 | 167.0° | 170.1° |
| N2 | C1 | C2 | H3 | 74.0° | 70.3° |
| C1 | N2 | C10 | H5 | 75.8° | 67.6° |
| C1 | N2 | C11 | H6 | 139.6° | 172.7° |
| C1 | N2 | C11 | H7 | 19.9° | 52.7° |
| N2 | C1 | C | H29 | 180.0° | 58.8° |
| N2 | C1 | C | H30 | 60.0° | 61.2° |
| N2 | C1 | C | H31 | 60.0° | 178.8° |
| C15 | N5 | C25 | C18 | 0.5° | 0.1° |
| N5 | C15 | C10 | H5 | 178.8° | 144.4° |
| N5 | C15 | C16 | H12 | 179.6° | 179.8° |
| C15 | N5 | C25 | H27 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 17.3° | 16.6° |
| C1 | C2 | C3 | H2 | 120.5° | 120.3° |
| C1 | C2 | C3 | H3 | 120.5° | 120.2° |
| C1 | C2 | C3 | C9 | 162.6° | 163.5° |
| C1 | C2 | H2 | H3 | 118.5° | 119.7° |
| C2 | C1 | C | H29 | 54.7° | 60.0° |
| C2 | C1 | C | H30 | 65.3° | 179.9° |
| C2 | C1 | C | H31 | 174.7° | 59.9° |
| C18 | N3 | C19 | H25 | 121.7° | 179.9° |
| N3 | C18 | C25 | N5 | 179.6° | 180.0° |
| C18 | N3 | C19 | C20 | 174.0° | 155.1° |
| C18 | N3 | C19 | C24 | 72.7° | 108.2° |
| C18 | N3 | C19 | H13 | 56.7° | 23.4° |
| N3 | C18 | C17 | H26 | 0.5° | 0.0° |
| N3 | C18 | C25 | H27 | 0.4° | 0.0° |
| C25 | C18 | N3 | C19 | 64.2° | 0.1° |
| C18 | C25 | N5 | H27 | 180.0° | 179.9° |
| C25 | C18 | N3 | H25 | 57.5° | 180.0° |
| C25 | C18 | C17 | H26 | 179.8° | 179.7° |
| C4 | C5 | C6 | H32 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 179.8° | 179.6° |
| C5 | C4 | C3 | C9 | 0.1° | 0.3° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C5 | C4 | C10 | H5 | 72.6° | 77.5° |
| C4 | C5 | C6 | H33 | 179.7° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C3 | C2 | C9 | 180.0° | 179.9° |
| C4 | C3 | C9 | C7 | 0.0° | 0.2° |
| C4 | C3 | C9 | C8 | 180.0° | 179.8° |
| C4 | C3 | C2 | H2 | 137.8° | 136.9° |
| C4 | C3 | C2 | H3 | 103.2° | 103.6° |
| C3 | C4 | C10 | H5 | 107.1° | 102.5° |
| C3 | C4 | C5 | H32 | 179.8° | 179.8° |
| C5 | C6 | C7 | H33 | 180.0° | 180.0° |
| C5 | C6 | C7 | C9 | 0.2° | 0.2° |
| C5 | C6 | C7 | N | 179.8° | 179.9° |
| N3 | C19 | C20 | C24 | 119.2° | 114.4° |
| N3 | C19 | C20 | H13 | 129.9° | 131.3° |
| N3 | C19 | C24 | H13 | 129.9° | 131.3° |
| N3 | C19 | C20 | N4 | 137.5° | 138.1° |
| N3 | C19 | C24 | N4 | 137.4° | 138.1° |
| N3 | C19 | C20 | H14 | 21.3° | 23.8° |
| N3 | C19 | C20 | H15 | 106.4° | 107.6° |
| N3 | C19 | C24 | H20 | 106.4° | 107.6° |
| N3 | C19 | C24 | H21 | 21.2° | 23.8° |
| C2 | C3 | C9 | C7 | 179.9° | 179.7° |
| C2 | C3 | C9 | C8 | 0.1° | 0.3° |
| C3 | C2 | C1 | H1 | 163.1° | 169.5° |
| C3 | C2 | H2 | H3 | 118.5° | 119.6° |
| C3 | C9 | C7 | C6 | 0.0° | 0.0° |
| C3 | C9 | C7 | C8 | 180.0° | 180.0° |
| C3 | C9 | C7 | N | 180.0° | 179.9° |
| C3 | C9 | C8 | N1 | 180.0° | 180.0° |
| C9 | C3 | C2 | H2 | 42.1° | 43.2° |
| C9 | C3 | C2 | H3 | 76.9° | 76.3° |
| C3 | C9 | C8 | H4 | 0.0° | 0.1° |
| C6 | C7 | C9 | N | 180.0° | 179.9° |
| C6 | C7 | C9 | C8 | 180.0° | 180.0° |
| C6 | C7 | N | N1 | 179.9° | 180.0° |
| C7 | C6 | C5 | H32 | 179.7° | 180.0° |
| C20 | C19 | C24 | H13 | 111.0° | 114.3° |
| C19 | C20 | N4 | H14 | 116.2° | 114.3° |
| C19 | C20 | N4 | H15 | 116.2° | 114.3° |
| C20 | C19 | C24 | N4 | 18.3° | 23.7° |
| C19 | C20 | N4 | C21 | 137.2° | 137.6° |
| C19 | C20 | H14 | H15 | 130.2° | 131.7° |
| C20 | C19 | C24 | H20 | 134.5° | 138.0° |
| C20 | C19 | C24 | H21 | 97.9° | 90.6° |
| C20 | C19 | N3 | H25 | 52.3° | 25.0° |
| C19 | C24 | N4 | H20 | 116.2° | 114.3° |
| C19 | C24 | N4 | H21 | 116.2° | 114.3° |
| C19 | C24 | N4 | C21 | 139.1° | 137.5° |
| C24 | C19 | C20 | H14 | 97.9° | 90.6° |
| C24 | C19 | C20 | H15 | 134.5° | 138.0° |
| C19 | C24 | H20 | H21 | 130.1° | 131.7° |
| C24 | C19 | N3 | H25 | 49.0° | 71.7° |
| C7 | C9 | C8 | N1 | 0.0° | 0.0° |
| C9 | C7 | N | N1 | 0.1° | 0.1° |
| C7 | C9 | C8 | H4 | 180.0° | 180.0° |
| C9 | C7 | C6 | H33 | 179.8° | 179.8° |
| C8 | C9 | C7 | N | 0.0° | 0.0° |
| C9 | C8 | N1 | H4 | 180.0° | 179.9° |
| C9 | C8 | N1 | N | 0.0° | 0.0° |
| C9 | C8 | N1 | H34 | 180.0° | 180.0° |
| C20 | N4 | C24 | C21 | 120.1° | 112.8° |
| C20 | N4 | C21 | C22 | 98.3° | 170.0° |
| N4 | C20 | C19 | H13 | 92.7° | 90.6° |
| N4 | C20 | H14 | H15 | 130.1° | 131.7° |
| C20 | N4 | C21 | H16 | 141.1° | 50.1° |
| C20 | N4 | C21 | H17 | 22.3° | 70.0° |
| C20 | N4 | C24 | H20 | 135.1° | 139.0° |
| C20 | N4 | C24 | H21 | 97.3° | 89.6° |
| C7 | N | N1 | C8 | 0.1° | 0.1° |
| N | C7 | C6 | H33 | 0.2° | 0.1° |
| C7 | N | N1 | H34 | 179.9° | 180.0° |
| C8 | N1 | N | H34 | 180.0° | 180.0° |
| N | N1 | C8 | H4 | 180.0° | 180.0° |
| C24 | N4 | C21 | C22 | 157.4° | 90.7° |
| N4 | C24 | C19 | H13 | 92.7° | 90.6° |
| C24 | N4 | C20 | H14 | 97.3° | 89.6° |
| C24 | N4 | C20 | H15 | 135.1° | 139.0° |
| C24 | N4 | C21 | H16 | 36.9° | 149.4° |
| C24 | N4 | C21 | H17 | 82.0° | 29.3° |
| N4 | C24 | H20 | H21 | 130.1° | 131.7° |
| N4 | C21 | C22 | C23 | 64.7° | 180.0° |
| N4 | C21 | C22 | H16 | 120.6° | 120.0° |
| N4 | C21 | C22 | H17 | 120.6° | 120.0° |
| C21 | N4 | C20 | H14 | 21.0° | 23.3° |
| C21 | N4 | C20 | H15 | 106.5° | 108.1° |
| N4 | C21 | H16 | H17 | 118.2° | 120.1° |
| N4 | C21 | C22 | H18 | 174.9° | 59.9° |
| N4 | C21 | C22 | H19 | 55.7° | 60.0° |
| C21 | N4 | C24 | H20 | 104.7° | 108.1° |
| C21 | N4 | C24 | H21 | 22.9° | 23.2° |
| F1 | C23 | C22 | H22 | 119.8° | 120.1° |
| F1 | C23 | C22 | H23 | 119.8° | 119.9° |
| F1 | C23 | C22 | C21 | 128.8° | 180.0° |
| F1 | C23 | C22 | H18 | 8.4° | 59.9° |
| F1 | C23 | C22 | H19 | 110.8° | 60.1° |
| F1 | C23 | H22 | H23 | 120.6° | 119.9° |
| C23 | C22 | C21 | H18 | 120.4° | 120.1° |
| C23 | C22 | C21 | H19 | 120.4° | 120.0° |
| C23 | C22 | C21 | H16 | 174.7° | 60.0° |
| C23 | C22 | C21 | H17 | 55.9° | 60.0° |
| C23 | C22 | H18 | H19 | 118.8° | 120.0° |
| C22 | C23 | H22 | H23 | 120.6° | 120.0° |
| C22 | C21 | H16 | H17 | 118.3° | 120.0° |
| C21 | C22 | H18 | H19 | 118.8° | 120.0° |
| C21 | C22 | C23 | H22 | 111.4° | 60.0° |
| C21 | C22 | C23 | H23 | 9.0° | 60.0° |
| H1 | C1 | C2 | H2 | 76.4° | 70.3° |
| H1 | C1 | C2 | H3 | 42.6° | 49.3° |
| H1 | C1 | C | H29 | 62.3° | 179.4° |
| H1 | C1 | C | H30 | 177.7° | 59.4° |
| H1 | C1 | C | H31 | 57.6° | 60.6° |
| H4 | C8 | N1 | H34 | 0.0° | 0.0° |
| H8 | C13 | C14 | H10 | 0.1° | 145.0° |
| H8 | C13 | C14 | H11 | 141.3° | 0.1° |
| H9 | C13 | C14 | H10 | 141.4° | 0.0° |
| H9 | C13 | C14 | H11 | 0.0° | 145.1° |
| H12 | C16 | C17 | H26 | 0.2° | 0.0° |
| H13 | C19 | C20 | H14 | 151.1° | 155.0° |
| H13 | C19 | C20 | H15 | 23.5° | 23.7° |
| H13 | C19 | C24 | H20 | 23.5° | 23.7° |
| H13 | C19 | C24 | H21 | 151.1° | 155.1° |
| H13 | C19 | N3 | H25 | 178.4° | 156.7° |
| H16 | C21 | C22 | H18 | 54.3° | 60.1° |
| H16 | C21 | C22 | H19 | 64.9° | 180.0° |
| H17 | C21 | C22 | H18 | 64.5° | 179.9° |
| H17 | C21 | C22 | H19 | 176.3° | 60.0° |
| H18 | C22 | C23 | H22 | 128.2° | 180.0° |
| H18 | C22 | C23 | H23 | 111.4° | 60.0° |
| H19 | C22 | C23 | H22 | 8.9° | 60.0° |
| H19 | C22 | C23 | H23 | 129.4° | 180.0° |
| H29 | C | H30 | H31 | 120.0° | 120.0° |
| H32 | C5 | C6 | H33 | 0.3° | 0.0° |
