QHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| F1 | C22 | sing | 1.35Å | 1.33Å | |
| N1 | S1 | sing | 1.66Å | 1.69Å | |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| N1 | C18 | sing | 1.47Å | 1.50Å | |
| O1 | S1 | doub | 1.42Å | 1.45Å | |
| S1 | O2 | doub | 1.42Å | 1.45Å | |
| S1 | C6 | sing | 1.81Å | 1.81Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C20 | sing | 1.51Å | 1.50Å | |
| N2 | O3 | sing | 1.21Å | 1.39Å | Aromatic |
| N2 | C13 | doub | 1.30Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| N3 | O4 | sing | 1.42Å | 1.40Å | |
| N3 | C19 | sing | 1.35Å | 1.36Å | |
| O3 | C15 | sing | 1.34Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| N4 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | C21 | sing | 1.32Å | 1.33Å | Aromatic |
| N5 | C20 | sing | 1.32Å | 1.34Å | Aromatic |
| N5 | C23 | doub | 1.32Å | 1.33Å | Aromatic |
| O5 | C19 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C17 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.41Å | 1.44Å | Aromatic |
| C12 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.48Å | |
| C17 | C18 | sing | 1.54Å | 1.51Å | |
| C21 | C22 | doub | 1.39Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C1 | C2 | C20 | 104.7° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2 | 114.6° | 109.4° |
| F1 | C22 | C21 | 118.9° | 120.8° |
| F1 | C22 | C23 | 121.4° | 120.8° |
| S1 | N1 | C7 | 112.5° | 120.7° |
| S1 | N1 | C18 | 115.1° | 120.6° |
| N1 | S1 | O1 | 108.3° | 104.3° |
| N1 | S1 | O2 | 107.5° | 104.3° |
| N1 | S1 | C6 | 103.1° | 104.5° |
| C7 | N1 | C18 | 120.7° | 118.8° |
| N1 | C7 | C8 | 111.7° | 108.8° |
| N1 | C7 | H7 | 108.8° | 109.6° |
| N1 | C7 | H7A | 108.7° | 109.6° |
| N1 | C18 | C17 | 115.2° | 108.5° |
| N1 | C18 | H18 | 107.6° | 109.6° |
| N1 | C18 | H18A | 107.6° | 109.6° |
| O1 | S1 | O2 | 120.5° | 121.0° |
| O1 | S1 | C6 | 110.1° | 110.5° |
| O2 | S1 | C6 | 105.9° | 110.5° |
| S1 | C6 | C4 | 122.0° | 109.5° |
| S1 | C6 | H6 | 105.5° | 109.5° |
| S1 | C6 | H6A | 105.5° | 109.5° |
| C3 | C2 | C20 | 117.1° | 109.5° |
| C2 | C3 | C4 | 118.9° | 109.5° |
| C3 | C2 | H2 | 101.5° | 109.5° |
| C2 | C3 | H3 | 106.4° | 109.5° |
| C2 | C3 | H3A | 106.5° | 109.4° |
| C2 | C20 | N4 | 113.4° | 119.1° |
| C2 | C20 | N5 | 119.5° | 119.1° |
| C20 | C2 | H2 | 108.2° | 109.4° |
| O3 | N2 | C13 | 105.8° | 111.6° |
| N2 | O3 | C15 | 109.4° | 111.6° |
| N2 | C13 | C12 | 112.1° | 106.4° |
| N2 | C13 | C14 | 114.8° | 126.8° |
| C3 | C4 | N3 | 108.7° | 109.5° |
| C3 | C4 | C5 | 110.2° | 109.5° |
| C3 | C4 | C6 | 108.5° | 109.5° |
| C4 | C3 | H3 | 106.5° | 109.5° |
| C4 | C3 | H3A | 106.4° | 109.5° |
| C4 | N3 | O4 | 118.5° | 120.0° |
| C4 | N3 | C19 | 129.3° | 120.0° |
| N3 | C4 | C5 | 108.2° | 109.5° |
| N3 | C4 | C6 | 112.6° | 109.5° |
| O4 | N3 | C19 | 112.2° | 120.0° |
| N3 | O4 | HO4 | 109.5° | 114.0° |
| N3 | C19 | O5 | 122.5° | 120.0° |
| N3 | C19 | H19 | 118.7° | 120.0° |
| O3 | C15 | C12 | 109.7° | 106.4° |
| O3 | C15 | C16 | 116.2° | 126.8° |
| C5 | C4 | C6 | 108.6° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H5A | 109.5° | 109.5° |
| C4 | C5 | H5B | 109.5° | 109.5° |
| C4 | C6 | H6 | 105.5° | 109.5° |
| C4 | C6 | H6A | 105.5° | 109.5° |
| C20 | N4 | C21 | 116.8° | 120.8° |
| N4 | C20 | N5 | 127.0° | 121.9° |
| N4 | C21 | C22 | 120.0° | 119.1° |
| N4 | C21 | H21 | 120.0° | 120.5° |
| C20 | N5 | C23 | 115.4° | 120.8° |
| N5 | C23 | C22 | 121.0° | 119.1° |
| N5 | C23 | H23 | 119.5° | 120.5° |
| O5 | C19 | H19 | 118.7° | 119.9° |
| C7 | C8 | C9 | 110.0° | 109.3° |
| C8 | C7 | H7 | 108.7° | 109.6° |
| C8 | C7 | H7A | 108.7° | 109.6° |
| C7 | C8 | H8 | 109.3° | 109.5° |
| C7 | C8 | H8A | 109.3° | 109.5° |
| C8 | C9 | C10 | 106.3° | 109.5° |
| C8 | C9 | C17 | 110.7° | 109.5° |
| C9 | C8 | H8 | 109.3° | 109.5° |
| C9 | C8 | H8A | 109.3° | 109.5° |
| C8 | C9 | H9 | 111.4° | 109.5° |
| C10 | C9 | C17 | 111.2° | 109.4° |
| C9 | C10 | C11 | 115.2° | 109.5° |
| C10 | C9 | H9 | 110.8° | 109.4° |
| C9 | C10 | H10 | 107.6° | 109.5° |
| C9 | C10 | H10A | 107.6° | 109.5° |
| C9 | C17 | C18 | 114.2° | 109.3° |
| C17 | C9 | H9 | 106.5° | 109.5° |
| C9 | C17 | H17 | 107.9° | 109.5° |
| C9 | C17 | H17A | 107.9° | 109.5° |
| C10 | C11 | C12 | 114.1° | 109.5° |
| C11 | C10 | H10 | 107.6° | 109.4° |
| C11 | C10 | H10A | 107.6° | 109.4° |
| C10 | C11 | H11 | 108.0° | 109.4° |
| C10 | C11 | H11A | 108.0° | 109.4° |
| C11 | C12 | C13 | 131.5° | 128.0° |
| C11 | C12 | C15 | 125.4° | 128.0° |
| C12 | C11 | H11 | 108.0° | 109.5° |
| C12 | C11 | H11A | 108.0° | 109.5° |
| C13 | C12 | C15 | 103.1° | 104.0° |
| C12 | C13 | C14 | 133.2° | 126.8° |
| C12 | C15 | C16 | 134.1° | 126.8° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.4° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.4° |
| C15 | C16 | H16A | 109.5° | 109.4° |
| C15 | C16 | H16B | 109.5° | 109.5° |
| C18 | C17 | H17 | 107.9° | 109.6° |
| C18 | C17 | H17A | 107.9° | 109.5° |
| C17 | C18 | H18 | 107.6° | 109.7° |
| C17 | C18 | H18A | 107.6° | 109.7° |
| C21 | C22 | C23 | 119.7° | 118.4° |
| C22 | C21 | H21 | 120.0° | 120.5° |
| C22 | C23 | H23 | 119.5° | 120.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| H3 | C3 | H3A | 112.3° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H5 | C5 | H5B | 109.5° | 109.4° |
| H5A | C5 | H5B | 109.5° | 109.4° |
| H6 | C6 | H6A | 113.1° | 109.4° |
| H7 | C7 | H7A | 110.2° | 109.6° |
| H8 | C8 | H8A | 109.6° | 109.5° |
| H10 | C10 | H10A | 111.3° | 109.5° |
| H11 | C11 | H11A | 111.0° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H17 | C17 | H17A | 111.0° | 109.5° |
| H18 | C18 | H18A | 111.2° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C20 | 120.2° | 120.1° |
| C1 | C2 | C3 | H2 | 122.3° | 120.0° |
| C1 | C2 | C20 | H2 | 122.7° | 119.9° |
| C1 | C2 | C3 | C4 | 157.8° | 172.6° |
| C1 | C2 | C20 | N4 | 120.7° | 120.0° |
| C1 | C2 | C20 | N5 | 58.2° | 60.1° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 37.7° | 52.6° |
| C1 | C2 | C3 | H3A | 82.3° | 67.4° |
| F1 | C22 | C21 | N4 | 179.6° | 180.0° |
| F1 | C22 | C23 | N5 | 179.6° | 180.0° |
| F1 | C22 | C21 | C23 | 180.0° | 180.0° |
| F1 | C22 | C21 | H21 | 0.4° | 0.0° |
| F1 | C22 | C23 | H23 | 0.4° | 0.0° |
| S1 | N1 | C7 | C18 | 141.3° | 179.8° |
| N1 | S1 | O1 | O2 | 124.2° | 116.7° |
| N1 | S1 | O1 | C6 | 112.1° | 111.8° |
| N1 | S1 | O2 | C6 | 109.7° | 111.8° |
| N1 | S1 | C6 | C4 | 64.4° | 180.0° |
| S1 | N1 | C7 | C8 | 102.9° | 126.4° |
| S1 | N1 | C18 | C17 | 113.3° | 126.4° |
| N1 | S1 | C6 | H6 | 55.6° | 60.0° |
| N1 | S1 | C6 | H6A | 175.6° | 60.0° |
| S1 | N1 | C7 | H7 | 17.1° | 6.6° |
| S1 | N1 | C7 | H7A | 137.1° | 113.8° |
| S1 | N1 | C18 | H18 | 126.7° | 113.8° |
| S1 | N1 | C18 | H18A | 6.7° | 6.6° |
| C7 | N1 | S1 | O1 | 155.0° | 154.0° |
| C7 | N1 | S1 | O2 | 23.3° | 26.1° |
| C7 | N1 | S1 | C6 | 88.3° | 90.0° |
| N1 | C7 | C8 | H7 | 120.0° | 119.8° |
| N1 | C7 | C8 | H7A | 120.0° | 119.8° |
| N1 | C7 | C8 | C9 | 55.0° | 54.7° |
| C7 | N1 | C18 | C17 | 27.1° | 53.8° |
| N1 | C7 | H7 | H7A | 119.1° | 120.3° |
| N1 | C7 | C8 | H8 | 65.0° | 65.3° |
| N1 | C7 | C8 | H8A | 175.0° | 174.6° |
| C7 | N1 | C18 | H18 | 92.9° | 65.9° |
| C7 | N1 | C18 | H18A | 147.1° | 173.6° |
| C18 | N1 | S1 | O1 | 11.4° | 25.8° |
| C18 | N1 | S1 | O2 | 120.3° | 153.7° |
| C18 | N1 | S1 | C6 | 128.1° | 90.3° |
| C18 | N1 | C7 | C8 | 38.5° | 53.8° |
| N1 | C18 | C17 | C9 | 32.5° | 54.8° |
| N1 | C18 | C17 | H18 | 120.0° | 119.7° |
| N1 | C18 | C17 | H18A | 120.0° | 119.8° |
| C18 | N1 | C7 | H7 | 158.5° | 173.7° |
| C18 | N1 | C7 | H7A | 81.5° | 66.0° |
| N1 | C18 | C17 | H17 | 87.5° | 65.2° |
| N1 | C18 | C17 | H17A | 152.5° | 174.7° |
| N1 | C18 | H18 | H18A | 117.6° | 120.4° |
| O1 | S1 | O2 | C6 | 125.6° | 131.4° |
| O1 | S1 | C6 | C4 | 51.0° | 68.3° |
| O1 | S1 | C6 | H6 | 171.0° | 171.6° |
| O1 | S1 | C6 | H6A | 69.0° | 51.7° |
| O2 | S1 | C6 | C4 | 177.2° | 68.4° |
| O2 | S1 | C6 | H6 | 57.2° | 51.7° |
| O2 | S1 | C6 | H6A | 62.8° | 171.6° |
| S1 | C6 | C4 | C3 | 177.7° | 175.0° |
| S1 | C6 | C4 | N3 | 57.4° | 65.0° |
| S1 | C6 | C4 | C5 | 62.5° | 55.0° |
| S1 | C6 | C4 | H6 | 120.0° | 120.0° |
| S1 | C6 | C4 | H6A | 120.0° | 120.0° |
| S1 | C6 | H6 | H6A | 114.9° | 119.9° |
| C3 | C2 | C20 | H2 | 113.9° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 119.9° |
| C2 | C3 | C4 | N3 | 60.2° | 65.3° |
| C2 | C3 | C4 | C5 | 58.2° | 54.7° |
| C2 | C3 | C4 | C6 | 177.0° | 174.7° |
| C3 | C2 | C20 | N4 | 115.8° | 119.9° |
| C3 | C2 | C20 | N5 | 65.3° | 60.0° |
| C3 | C2 | C1 | H1 | 180.0° | 56.5° |
| C3 | C2 | C1 | H1A | 60.0° | 63.5° |
| C3 | C2 | C1 | H1B | 60.0° | 176.5° |
| C2 | C3 | H3 | H3A | 116.1° | 119.9° |
| C20 | C2 | C3 | C4 | 82.1° | 67.3° |
| C2 | C20 | N4 | N5 | 178.8° | 179.9° |
| C2 | C20 | N4 | C21 | 178.8° | 180.0° |
| C2 | C20 | N5 | C23 | 179.5° | 180.0° |
| C20 | C2 | C1 | H1 | 52.7° | 63.6° |
| C20 | C2 | C1 | H1A | 67.3° | 176.4° |
| C20 | C2 | C1 | H1B | 172.7° | 56.4° |
| C20 | C2 | C3 | H3 | 157.9° | 172.6° |
| C20 | C2 | C3 | H3A | 37.9° | 52.7° |
| O3 | N2 | C13 | C12 | 0.7° | 0.1° |
| N2 | O3 | C15 | C12 | 0.6° | 0.0° |
| O3 | N2 | C13 | C14 | 179.5° | 180.0° |
| N2 | O3 | C15 | C16 | 179.1° | 180.0° |
| C13 | N2 | O3 | C15 | 0.8° | 0.1° |
| N2 | C13 | C12 | C11 | 178.2° | 180.0° |
| N2 | C13 | C12 | C14 | 179.7° | 179.9° |
| N2 | C13 | C12 | C15 | 0.4° | 0.1° |
| N2 | C13 | C14 | H14 | 0.0° | 90.0° |
| N2 | C13 | C14 | H14A | 120.0° | 150.0° |
| N2 | C13 | C14 | H14B | 120.0° | 29.9° |
| C3 | C4 | N3 | C5 | 119.7° | 120.0° |
| C3 | C4 | N3 | C6 | 120.2° | 120.0° |
| C3 | C4 | N3 | O4 | 61.5° | 120.0° |
| C3 | C4 | N3 | C19 | 117.6° | 60.1° |
| C3 | C4 | C5 | C6 | 118.7° | 120.0° |
| C4 | C3 | C2 | H2 | 35.5° | 52.6° |
| C4 | C3 | H3 | H3A | 116.1° | 120.1° |
| C3 | C4 | C5 | H5 | 180.0° | 63.9° |
| C3 | C4 | C5 | H5A | 60.0° | 176.1° |
| C3 | C4 | C5 | H5B | 60.0° | 56.2° |
| C3 | C4 | C6 | H6 | 57.7° | 65.0° |
| C3 | C4 | C6 | H6A | 62.3° | 55.0° |
| C4 | N3 | O4 | C19 | 179.3° | 179.9° |
| N3 | C4 | C5 | C6 | 122.6° | 120.0° |
| C4 | N3 | C19 | O5 | 179.7° | 180.0° |
| N3 | C4 | C3 | H3 | 179.8° | 174.7° |
| N3 | C4 | C3 | H3A | 59.8° | 54.6° |
| C4 | N3 | O4 | HO4 | 179.8° | 180.0° |
| N3 | C4 | C5 | H5 | 61.3° | 176.2° |
| N3 | C4 | C5 | H5A | 58.7° | 56.1° |
| N3 | C4 | C5 | H5B | 178.7° | 63.8° |
| N3 | C4 | C6 | H6 | 62.6° | 55.0° |
| N3 | C4 | C6 | H6A | 177.4° | 175.0° |
| C4 | N3 | C19 | H19 | 0.3° | 0.0° |
| O4 | N3 | C4 | C5 | 178.8° | 0.0° |
| O4 | N3 | C4 | C6 | 58.7° | 120.0° |
| O4 | N3 | C19 | O5 | 1.1° | 0.1° |
| O4 | N3 | C19 | H19 | 178.9° | 180.0° |
| C19 | N3 | C4 | C5 | 2.1° | 180.0° |
| C19 | N3 | C4 | C6 | 122.2° | 59.9° |
| N3 | C19 | O5 | H19 | 180.0° | 180.0° |
| C19 | N3 | O4 | HO4 | 0.5° | 0.1° |
| O3 | C15 | C12 | C11 | 178.9° | 180.0° |
| O3 | C15 | C12 | C13 | 0.2° | 0.0° |
| O3 | C15 | C12 | C16 | 179.6° | 180.0° |
| O3 | C15 | C16 | H16 | 0.0° | 0.1° |
| O3 | C15 | C16 | H16A | 120.0° | 120.0° |
| O3 | C15 | C16 | H16B | 120.0° | 119.9° |
| C5 | C4 | C3 | H3 | 61.7° | 65.3° |
| C5 | C4 | C3 | H3A | 178.2° | 174.6° |
| C4 | C5 | H5 | H5A | 120.0° | 120.1° |
| C4 | C5 | H5 | H5B | 120.0° | 120.1° |
| C4 | C5 | H5A | H5B | 120.0° | 120.0° |
| C5 | C4 | C6 | H6 | 177.5° | 175.0° |
| C5 | C4 | C6 | H6A | 57.5° | 65.0° |
| C6 | C4 | C3 | H3 | 57.1° | 54.7° |
| C6 | C4 | C3 | H3A | 63.0° | 65.4° |
| C6 | C4 | C5 | H5 | 61.3° | 56.1° |
| C6 | C4 | C5 | H5A | 178.7° | 63.9° |
| C6 | C4 | C5 | H5B | 58.7° | 176.2° |
| C4 | C6 | H6 | H6A | 114.8° | 120.0° |
| N4 | C20 | N5 | C23 | 0.7° | 0.1° |
| C20 | N4 | C21 | C22 | 0.5° | 0.0° |
| N4 | C20 | C2 | H2 | 1.9° | 0.0° |
| C20 | N4 | C21 | H21 | 179.4° | 180.0° |
| C21 | N4 | C20 | N5 | 0.0° | 0.0° |
| N4 | C21 | C22 | H21 | 180.0° | 180.0° |
| N4 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | N5 | C23 | C22 | 0.9° | 0.1° |
| N5 | C20 | C2 | H2 | 179.1° | 180.0° |
| C20 | N5 | C23 | H23 | 179.1° | 180.0° |
| N5 | C23 | C22 | C21 | 0.4° | 0.0° |
| N5 | C23 | C22 | H23 | 180.0° | 179.9° |
| C7 | C8 | C9 | H8 | 120.0° | 119.9° |
| C7 | C8 | C9 | H8A | 120.0° | 119.9° |
| C7 | C8 | C9 | C10 | 176.7° | 178.6° |
| C7 | C8 | C9 | C17 | 62.4° | 61.4° |
| C8 | C7 | H7 | H7A | 119.1° | 120.4° |
| C7 | C8 | H8 | H8A | 119.8° | 120.1° |
| C7 | C8 | C9 | H9 | 55.9° | 58.7° |
| C8 | C9 | C10 | C17 | 120.5° | 120.0° |
| C8 | C9 | C10 | H9 | 121.2° | 120.0° |
| C8 | C9 | C17 | H9 | 121.2° | 120.1° |
| C8 | C9 | C10 | C11 | 167.2° | 175.0° |
| C8 | C9 | C17 | C18 | 50.9° | 61.5° |
| C9 | C8 | C7 | H7 | 175.0° | 174.5° |
| C9 | C8 | C7 | H7A | 65.0° | 65.1° |
| C9 | C8 | H8 | H8A | 119.8° | 120.1° |
| C8 | C9 | C10 | H10 | 47.2° | 65.0° |
| C8 | C9 | C10 | H10A | 72.8° | 55.0° |
| C8 | C9 | C17 | H17 | 69.1° | 58.6° |
| C8 | C9 | C17 | H17A | 170.9° | 178.6° |
| C10 | C9 | C17 | H9 | 120.9° | 119.9° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 178.3° | 180.0° |
| C10 | C9 | C17 | C18 | 168.9° | 178.5° |
| C10 | C9 | C8 | H8 | 63.3° | 61.4° |
| C10 | C9 | C8 | H8A | 56.7° | 58.7° |
| C9 | C10 | H10 | H10A | 117.6° | 120.0° |
| C9 | C10 | C11 | H11 | 58.3° | 60.0° |
| C9 | C10 | C11 | H11A | 61.7° | 60.0° |
| C10 | C9 | C17 | H17 | 48.8° | 61.4° |
| C10 | C9 | C17 | H17A | 71.2° | 58.6° |
| C17 | C9 | C10 | C11 | 46.7° | 64.9° |
| C9 | C17 | C18 | H17 | 120.0° | 120.0° |
| C9 | C17 | C18 | H17A | 120.0° | 119.9° |
| C17 | C9 | C8 | H8 | 57.6° | 58.6° |
| C17 | C9 | C8 | H8A | 177.6° | 178.7° |
| C17 | C9 | C10 | H10 | 73.3° | 55.1° |
| C17 | C9 | C10 | H10A | 166.7° | 175.1° |
| C9 | C17 | H17 | H17A | 118.0° | 120.0° |
| C9 | C17 | C18 | H18 | 87.5° | 64.9° |
| C9 | C17 | C18 | H18A | 152.5° | 174.6° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | C12 | C13 | 104.7° | 90.0° |
| C10 | C11 | C12 | C15 | 77.0° | 90.0° |
| C11 | C10 | C9 | H9 | 71.6° | 55.0° |
| C11 | C10 | H10 | H10A | 117.6° | 120.0° |
| C10 | C11 | H11 | H11A | 118.1° | 120.0° |
| C11 | C12 | C13 | C15 | 178.6° | 180.0° |
| C11 | C12 | C13 | C14 | 1.5° | 0.1° |
| C11 | C12 | C15 | C16 | 0.8° | 0.0° |
| C12 | C11 | C10 | H10 | 61.7° | 60.0° |
| C12 | C11 | C10 | H10A | 58.3° | 60.0° |
| C12 | C11 | H11 | H11A | 118.1° | 120.0° |
| C13 | C12 | C15 | C16 | 179.4° | 179.9° |
| C13 | C12 | C11 | H11 | 135.3° | 30.0° |
| C13 | C12 | C11 | H11A | 15.3° | 150.0° |
| C12 | C13 | C14 | H14 | 179.7° | 90.1° |
| C12 | C13 | C14 | H14A | 59.7° | 29.9° |
| C12 | C13 | C14 | H14B | 60.3° | 150.0° |
| C15 | C12 | C13 | C14 | 179.9° | 180.0° |
| C15 | C12 | C11 | H11 | 43.0° | 150.0° |
| C15 | C12 | C11 | H11A | 163.0° | 30.0° |
| C12 | C15 | C16 | H16 | 179.6° | 180.0° |
| C12 | C15 | C16 | H16A | 60.4° | 60.0° |
| C12 | C15 | C16 | H16B | 59.6° | 60.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.1° |
| C15 | C16 | H16 | H16A | 120.0° | 119.9° |
| C15 | C16 | H16 | H16B | 120.0° | 120.0° |
| C15 | C16 | H16A | H16B | 120.0° | 120.0° |
| C18 | C17 | C9 | H9 | 70.3° | 58.6° |
| C18 | C17 | H17 | H17A | 118.1° | 120.1° |
| C17 | C18 | H18 | H18A | 117.7° | 120.5° |
| C21 | C22 | C23 | H23 | 179.6° | 180.0° |
| C23 | C22 | C21 | H21 | 179.6° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 65.7° | 176.5° |
| H1A | C1 | C2 | H2 | 174.3° | 56.5° |
| H1B | C1 | C2 | H2 | 54.3° | 63.5° |
| H2 | C2 | C3 | H3 | 84.5° | 67.4° |
| H2 | C2 | C3 | H3A | 155.5° | 172.6° |
| H5 | C5 | H5A | H5B | 120.0° | 119.9° |
| H7 | C7 | C8 | H8 | 55.0° | 54.5° |
| H7 | C7 | C8 | H8A | 65.0° | 65.6° |
| H7A | C7 | C8 | H8 | 175.0° | 174.9° |
| H7A | C7 | C8 | H8A | 55.0° | 54.8° |
| H8 | C8 | C9 | H9 | 175.9° | 178.6° |
| H8A | C8 | C9 | H9 | 64.1° | 61.3° |
| H9 | C9 | C10 | H10 | 168.4° | 175.0° |
| H9 | C9 | C10 | H10A | 48.4° | 65.0° |
| H9 | C9 | C17 | H17 | 169.7° | 178.6° |
| H9 | C9 | C17 | H17A | 49.7° | 61.3° |
| H10 | C10 | C11 | H11 | 178.3° | 180.0° |
| H10 | C10 | C11 | H11A | 58.3° | 60.0° |
| H10A | C10 | C11 | H11 | 61.7° | 60.0° |
| H10A | C10 | C11 | H11A | 178.3° | 180.0° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| H16 | C16 | H16A | H16B | 120.0° | 120.1° |
| H17 | C17 | C18 | H18 | 152.5° | 175.1° |
| H17 | C17 | C18 | H18A | 32.5° | 54.6° |
| H17A | C17 | C18 | H18 | 32.5° | 55.0° |
| H17A | C17 | C18 | H18A | 87.5° | 65.6° |
