A1H8K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F32 | C29 | sing | 1.40Å | 1.33Å | |
| F24 | C23 | sing | 1.40Å | 1.34Å | |
| F21 | C20 | sing | 1.40Å | 1.35Å | |
| F30 | C29 | sing | 1.40Å | 1.33Å | |
| C29 | F31 | sing | 1.40Å | 1.33Å | |
| C29 | C26 | sing | 1.53Å | 1.54Å | |
| F18 | C17 | sing | 1.40Å | 1.35Å | |
| C23 | F25 | sing | 1.40Å | 1.34Å | |
| C23 | C20 | sing | 1.53Å | 1.55Å | |
| C23 | C26 | sing | 1.53Å | 1.55Å | |
| F15 | C14 | sing | 1.40Å | 1.36Å | |
| C20 | C17 | sing | 1.53Å | 1.55Å | |
| C20 | F22 | sing | 1.40Å | 1.34Å | |
| C26 | F28 | sing | 1.40Å | 1.34Å | |
| C26 | F27 | sing | 1.40Å | 1.34Å | |
| C17 | C14 | sing | 1.53Å | 1.55Å | |
| C17 | F19 | sing | 1.40Å | 1.35Å | |
| C14 | F16 | sing | 1.40Å | 1.36Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | O11 | sing | 1.43Å | 1.45Å | |
| O11 | P8 | sing | 1.61Å | 1.60Å | |
| O9 | P8 | doub | 1.48Å | 1.48Å | |
| P8 | O10 | sing | 1.61Å | 1.48Å | |
| P8 | O7 | sing | 1.61Å | 1.60Å | |
| O7 | C6 | sing | 1.43Å | 1.45Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C1 | N2 | sing | 1.47Å | 1.50Å | |
| C5 | N2 | sing | 1.47Å | 1.51Å | |
| N2 | C3 | sing | 1.47Å | 1.50Å | |
| N2 | C4 | sing | 1.47Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| O10 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F32 | C29 | F30 | 107.3° | 109.5° |
| F32 | C29 | F31 | 107.8° | 109.5° |
| F32 | C29 | C26 | 111.0° | 109.5° |
| F24 | C23 | F25 | 108.0° | 109.5° |
| F24 | C23 | C20 | 108.0° | 109.4° |
| F24 | C23 | C26 | 108.0° | 109.5° |
| F21 | C20 | C23 | 108.3° | 109.5° |
| F21 | C20 | C17 | 108.1° | 109.5° |
| F21 | C20 | F22 | 107.8° | 109.5° |
| F30 | C29 | F31 | 107.7° | 109.5° |
| F30 | C29 | C26 | 111.0° | 109.4° |
| F31 | C29 | C26 | 111.8° | 109.5° |
| C29 | C26 | C23 | 115.9° | 109.5° |
| C29 | C26 | F28 | 107.3° | 109.5° |
| C29 | C26 | F27 | 106.9° | 109.4° |
| F18 | C17 | C20 | 108.6° | 109.5° |
| F18 | C17 | C14 | 107.5° | 109.5° |
| F18 | C17 | F19 | 107.8° | 109.4° |
| F25 | C23 | C20 | 108.3° | 109.5° |
| F25 | C23 | C26 | 108.3° | 109.5° |
| C20 | C23 | C26 | 116.0° | 109.5° |
| C23 | C20 | C17 | 115.5° | 109.5° |
| C23 | C20 | F22 | 108.5° | 109.4° |
| C23 | C26 | F28 | 109.2° | 109.5° |
| C23 | C26 | F27 | 108.8° | 109.5° |
| F15 | C14 | C17 | 107.2° | 109.4° |
| F15 | C14 | F16 | 106.6° | 109.5° |
| F15 | C14 | C13 | 110.5° | 109.5° |
| C17 | C20 | F22 | 108.3° | 109.4° |
| C20 | C17 | C14 | 116.3° | 109.5° |
| C20 | C17 | F19 | 108.5° | 109.5° |
| F28 | C26 | F27 | 108.5° | 109.5° |
| C14 | C17 | F19 | 107.7° | 109.5° |
| C17 | C14 | F16 | 107.3° | 109.5° |
| C17 | C14 | C13 | 114.3° | 109.5° |
| F16 | C14 | C13 | 110.5° | 109.5° |
| C14 | C13 | C12 | 114.4° | 109.5° |
| C14 | C13 | H6 | 108.2° | 109.5° |
| C14 | C13 | H7 | 108.2° | 109.5° |
| C13 | C12 | O11 | 108.5° | 109.5° |
| C13 | C12 | H4 | 109.7° | 109.5° |
| C13 | C12 | H5 | 109.7° | 109.5° |
| C12 | C13 | H6 | 108.2° | 109.5° |
| C12 | C13 | H7 | 108.2° | 109.5° |
| C12 | O11 | P8 | 120.2° | 123.0° |
| O11 | C12 | H4 | 109.7° | 109.5° |
| O11 | C12 | H5 | 109.7° | 109.5° |
| O11 | P8 | O9 | 109.7° | 109.5° |
| O11 | P8 | O10 | 107.7° | 109.4° |
| O11 | P8 | O7 | 100.3° | 109.5° |
| O9 | P8 | O10 | 119.6° | 109.5° |
| O9 | P8 | O7 | 109.6° | 109.5° |
| O10 | P8 | O7 | 108.2° | 109.4° |
| P8 | O10 | H18 | 109.5° | 114.0° |
| P8 | O7 | C6 | 120.1° | 123.0° |
| O7 | C6 | C5 | 113.7° | 109.5° |
| O7 | C6 | H16 | 108.4° | 109.5° |
| O7 | C6 | H17 | 108.4° | 109.4° |
| C6 | C5 | N2 | 116.2° | 109.5° |
| C6 | C5 | H14 | 107.8° | 109.5° |
| C6 | C5 | H15 | 107.8° | 109.5° |
| C5 | C6 | H16 | 108.4° | 109.5° |
| C5 | C6 | H17 | 108.4° | 109.5° |
| C1 | N2 | C5 | 110.2° | 109.5° |
| C1 | N2 | C3 | 109.0° | 109.5° |
| C1 | N2 | C4 | 109.0° | 109.5° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C5 | N2 | C3 | 109.7° | 109.5° |
| C5 | N2 | C4 | 110.0° | 109.5° |
| N2 | C5 | H14 | 107.7° | 109.4° |
| N2 | C5 | H15 | 107.8° | 109.5° |
| C3 | N2 | C4 | 109.0° | 109.4° |
| N2 | C3 | H8 | 109.5° | 109.5° |
| N2 | C3 | H9 | 109.5° | 109.5° |
| N2 | C3 | H10 | 109.4° | 109.4° |
| N2 | C4 | H11 | 109.5° | 109.5° |
| N2 | C4 | H12 | 109.5° | 109.5° |
| N2 | C4 | H13 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H8 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.4° |
| H11 | C4 | H12 | 109.5° | 109.5° |
| H11 | C4 | H13 | 109.5° | 109.4° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.4° |
| H16 | C6 | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F32 | C29 | F30 | F31 | 115.9° | 120.0° |
| F32 | C29 | F30 | C26 | 121.4° | 120.0° |
| F32 | C29 | F31 | C26 | 122.3° | 120.0° |
| F32 | C29 | C26 | C23 | 55.9° | 180.0° |
| F32 | C29 | C26 | F28 | 66.4° | 60.0° |
| F32 | C29 | C26 | F27 | 177.4° | 60.0° |
| F24 | C23 | C20 | F21 | 10.9° | 180.0° |
| F24 | C23 | C26 | C29 | 33.5° | 60.0° |
| F24 | C23 | F25 | C20 | 116.8° | 120.0° |
| F24 | C23 | F25 | C26 | 116.7° | 120.0° |
| F24 | C23 | C20 | C26 | 121.3° | 120.0° |
| F24 | C23 | C20 | C17 | 110.5° | 60.0° |
| F24 | C23 | C20 | F22 | 127.6° | 60.0° |
| F24 | C23 | C26 | F28 | 87.8° | 60.0° |
| F24 | C23 | C26 | F27 | 154.0° | 180.0° |
| F21 | C20 | C17 | F18 | 62.1° | 180.0° |
| F21 | C20 | C23 | F25 | 127.6° | 60.0° |
| F21 | C20 | C23 | C17 | 121.4° | 120.0° |
| F21 | C20 | C23 | F22 | 116.8° | 120.0° |
| F21 | C20 | C23 | C26 | 110.5° | 60.0° |
| F21 | C20 | C17 | F22 | 116.6° | 120.0° |
| F21 | C20 | C17 | C14 | 59.4° | 60.0° |
| F21 | C20 | C17 | F19 | 179.0° | 60.0° |
| F30 | C29 | F31 | C26 | 122.2° | 120.0° |
| F30 | C29 | C26 | C23 | 63.4° | 60.0° |
| F30 | C29 | C26 | F28 | 174.4° | 60.0° |
| F30 | C29 | C26 | F27 | 58.2° | 180.0° |
| F31 | C29 | C26 | C23 | 176.3° | 60.0° |
| F31 | C29 | C26 | F28 | 54.1° | 180.0° |
| F31 | C29 | C26 | F27 | 62.1° | 60.0° |
| C29 | C26 | C23 | F25 | 83.2° | 60.0° |
| C29 | C26 | C23 | C20 | 154.9° | 180.0° |
| C29 | C26 | C23 | F28 | 121.3° | 120.0° |
| C29 | C26 | C23 | F27 | 120.5° | 120.0° |
| C29 | C26 | F28 | F27 | 115.2° | 120.0° |
| F18 | C17 | C20 | C23 | 59.4° | 60.0° |
| F18 | C17 | C14 | F15 | 49.9° | 180.0° |
| F18 | C17 | C20 | C14 | 121.4° | 120.0° |
| F18 | C17 | C20 | F19 | 117.0° | 119.9° |
| F18 | C17 | C20 | F22 | 178.7° | 60.0° |
| F18 | C17 | C14 | F19 | 116.0° | 120.0° |
| F18 | C17 | C14 | F16 | 164.2° | 60.0° |
| F18 | C17 | C14 | C13 | 72.9° | 60.0° |
| F25 | C23 | C20 | C26 | 121.9° | 120.0° |
| F25 | C23 | C20 | C17 | 6.2° | 60.0° |
| F25 | C23 | C20 | F22 | 115.7° | 180.0° |
| F25 | C23 | C26 | F28 | 155.6° | 180.0° |
| F25 | C23 | C26 | F27 | 37.4° | 60.0° |
| C23 | C20 | C17 | F22 | 121.9° | 120.0° |
| C20 | C23 | C26 | F28 | 33.6° | 60.0° |
| C20 | C23 | C26 | F27 | 84.6° | 60.0° |
| C23 | C20 | C17 | C14 | 179.2° | 180.0° |
| C23 | C20 | C17 | F19 | 57.6° | 60.0° |
| C26 | C23 | C20 | C17 | 128.1° | 180.0° |
| C26 | C23 | C20 | F22 | 6.3° | 60.0° |
| C23 | C26 | F28 | F27 | 118.4° | 120.0° |
| F15 | C14 | C17 | C20 | 72.1° | 60.0° |
| F15 | C14 | C17 | F16 | 114.2° | 120.0° |
| F15 | C14 | C17 | C13 | 122.8° | 120.0° |
| F15 | C14 | C17 | F19 | 165.9° | 60.0° |
| F15 | C14 | F16 | C13 | 120.1° | 120.0° |
| F15 | C14 | C13 | C12 | 54.9° | 60.0° |
| F15 | C14 | C13 | H6 | 175.7° | 180.0° |
| F15 | C14 | C13 | H7 | 65.8° | 60.0° |
| C20 | C17 | C14 | F19 | 122.0° | 120.0° |
| C20 | C17 | C14 | F16 | 42.1° | 60.0° |
| C20 | C17 | C14 | C13 | 165.1° | 180.0° |
| F22 | C20 | C17 | C14 | 57.2° | 60.0° |
| F22 | C20 | C17 | F19 | 64.4° | 179.9° |
| C17 | C14 | F16 | C13 | 125.2° | 120.0° |
| C17 | C14 | C13 | C12 | 176.0° | 180.0° |
| C17 | C14 | C13 | H6 | 63.3° | 60.0° |
| C17 | C14 | C13 | H7 | 55.3° | 60.0° |
| F19 | C17 | C14 | F16 | 79.9° | 180.0° |
| F19 | C17 | C14 | C13 | 43.1° | 60.0° |
| F16 | C14 | C13 | C12 | 62.9° | 60.0° |
| F16 | C14 | C13 | H6 | 57.9° | 60.0° |
| F16 | C14 | C13 | H7 | 176.4° | 179.9° |
| C14 | C13 | C12 | H6 | 120.7° | 120.0° |
| C14 | C13 | C12 | H7 | 120.7° | 120.1° |
| C14 | C13 | C12 | O11 | 158.7° | 180.0° |
| C14 | C13 | C12 | H4 | 38.9° | 60.0° |
| C14 | C13 | C12 | H5 | 81.4° | 60.0° |
| C14 | C13 | H6 | H7 | 117.7° | 120.0° |
| C13 | C12 | O11 | H4 | 119.9° | 120.0° |
| C13 | C12 | O11 | H5 | 119.9° | 120.0° |
| C13 | C12 | O11 | P8 | 156.7° | 180.0° |
| C13 | C12 | H4 | H5 | 120.4° | 120.0° |
| C12 | C13 | H6 | H7 | 117.7° | 120.0° |
| C12 | O11 | P8 | O9 | 46.6° | 55.0° |
| C12 | O11 | P8 | O10 | 178.3° | 65.0° |
| C12 | O11 | P8 | O7 | 68.7° | 175.0° |
| O11 | C12 | H4 | H5 | 120.4° | 120.0° |
| O11 | C12 | C13 | H6 | 80.5° | 60.0° |
| O11 | C12 | C13 | H7 | 38.0° | 60.0° |
| O11 | P8 | O9 | O10 | 125.1° | 120.0° |
| O11 | P8 | O9 | O7 | 109.2° | 120.0° |
| O11 | P8 | O10 | O7 | 107.6° | 119.9° |
| O11 | P8 | O7 | C6 | 110.3° | 175.0° |
| P8 | O11 | C12 | H4 | 83.4° | 60.1° |
| P8 | O11 | C12 | H5 | 36.9° | 60.0° |
| O11 | P8 | O10 | H18 | 126.1° | 60.0° |
| O9 | P8 | O10 | O7 | 126.3° | 120.1° |
| O9 | P8 | O7 | C6 | 5.1° | 55.0° |
| O9 | P8 | O10 | H18 | 0.0° | 180.0° |
| O10 | P8 | O7 | C6 | 137.0° | 65.1° |
| P8 | O7 | C6 | C5 | 158.4° | 179.9° |
| P8 | O7 | C6 | H16 | 37.7° | 59.9° |
| P8 | O7 | C6 | H17 | 81.0° | 60.0° |
| O7 | P8 | O10 | H18 | 126.3° | 60.0° |
| O7 | C6 | C5 | H16 | 120.6° | 120.1° |
| O7 | C6 | C5 | H17 | 120.6° | 120.0° |
| O7 | C6 | C5 | N2 | 74.7° | 67.6° |
| O7 | C6 | C5 | H14 | 46.3° | 172.4° |
| O7 | C6 | C5 | H15 | 164.3° | 52.4° |
| O7 | C6 | H16 | H17 | 118.1° | 119.9° |
| C6 | C5 | N2 | C1 | 32.3° | 55.2° |
| C6 | C5 | N2 | H14 | 121.0° | 120.0° |
| C6 | C5 | N2 | H15 | 121.0° | 120.1° |
| C6 | C5 | N2 | C3 | 87.7° | 64.8° |
| C6 | C5 | N2 | C4 | 152.5° | 175.2° |
| C6 | C5 | H14 | H15 | 116.9° | 120.1° |
| C5 | C6 | H16 | H17 | 118.1° | 120.0° |
| C1 | N2 | C5 | C3 | 120.0° | 120.0° |
| C1 | N2 | C5 | C4 | 120.1° | 120.0° |
| C1 | N2 | C3 | C4 | 118.8° | 120.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H8 | 180.0° | 70.0° |
| C1 | N2 | C3 | H9 | 60.0° | 169.9° |
| C1 | N2 | C3 | H10 | 60.0° | 50.0° |
| C1 | N2 | C4 | H11 | 180.0° | 60.0° |
| C1 | N2 | C4 | H12 | 60.0° | 180.0° |
| C1 | N2 | C4 | H13 | 60.0° | 59.9° |
| C1 | N2 | C5 | H14 | 153.3° | 64.8° |
| C1 | N2 | C5 | H15 | 88.6° | 175.3° |
| C5 | N2 | C3 | C4 | 120.5° | 120.0° |
| C5 | N2 | C1 | H1 | 180.0° | 60.0° |
| C5 | N2 | C1 | H2 | 60.0° | 180.0° |
| C5 | N2 | C1 | H3 | 60.0° | 60.0° |
| C5 | N2 | C3 | H8 | 59.2° | 169.9° |
| C5 | N2 | C3 | H9 | 179.2° | 49.9° |
| C5 | N2 | C3 | H10 | 60.8° | 70.0° |
| C5 | N2 | C4 | H11 | 59.1° | 60.0° |
| C5 | N2 | C4 | H12 | 60.9° | 60.0° |
| C5 | N2 | C4 | H13 | 179.1° | 180.0° |
| N2 | C5 | H14 | H15 | 116.9° | 120.0° |
| N2 | C5 | C6 | H16 | 164.7° | 172.3° |
| N2 | C5 | C6 | H17 | 45.9° | 52.3° |
| C3 | N2 | C1 | H1 | 59.5° | 180.0° |
| C3 | N2 | C1 | H2 | 179.6° | 60.0° |
| C3 | N2 | C1 | H3 | 60.5° | 60.0° |
| N2 | C3 | H8 | H9 | 120.0° | 120.0° |
| N2 | C3 | H8 | H10 | 120.0° | 120.0° |
| N2 | C3 | H9 | H10 | 120.0° | 119.9° |
| C3 | N2 | C4 | H11 | 61.2° | 180.0° |
| C3 | N2 | C4 | H12 | 178.8° | 60.0° |
| C3 | N2 | C4 | H13 | 58.8° | 60.1° |
| C3 | N2 | C5 | H14 | 33.3° | 175.2° |
| C3 | N2 | C5 | H15 | 151.3° | 55.2° |
| C4 | N2 | C1 | H1 | 59.3° | 60.0° |
| C4 | N2 | C1 | H2 | 60.8° | 60.0° |
| C4 | N2 | C1 | H3 | 179.3° | 180.0° |
| C4 | N2 | C3 | H8 | 61.2° | 50.0° |
| C4 | N2 | C3 | H9 | 58.8° | 70.1° |
| C4 | N2 | C3 | H10 | 178.8° | 170.0° |
| N2 | C4 | H11 | H12 | 120.0° | 120.0° |
| N2 | C4 | H11 | H13 | 120.0° | 120.0° |
| N2 | C4 | H12 | H13 | 120.0° | 120.0° |
| C4 | N2 | C5 | H14 | 86.5° | 55.2° |
| C4 | N2 | C5 | H15 | 31.5° | 64.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C12 | C13 | H6 | 159.6° | 60.0° |
| H4 | C12 | C13 | H7 | 81.8° | 180.0° |
| H5 | C12 | C13 | H6 | 39.4° | 180.0° |
| H5 | C12 | C13 | H7 | 157.9° | 60.0° |
| H8 | C3 | H9 | H10 | 120.0° | 120.0° |
| H11 | C4 | H12 | H13 | 120.0° | 120.0° |
| H14 | C5 | C6 | H16 | 74.4° | 52.3° |
| H14 | C5 | C6 | H17 | 166.9° | 67.6° |
| H15 | C5 | C6 | H16 | 43.7° | 67.7° |
| H15 | C5 | C6 | H17 | 75.0° | 172.3° |
