1H6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C10 | sing | 1.40Å | 1.29Å | |
| F7 | C4 | sing | 1.35Å | 1.38Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C8 | sing | 1.53Å | 1.61Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| C8 | C5 | sing | 1.51Å | 1.55Å | |
| C8 | N14 | sing | 1.46Å | 1.47Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| O12 | C13 | sing | 1.35Å | 1.32Å | |
| N14 | C13 | doub | 1.29Å | 1.32Å | |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | N16 | sing | 1.37Å | 1.40Å | |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | N17 | sing | 1.40Å | 1.40Å | |
| O20 | C18 | doub | 1.21Å | 1.22Å | |
| N17 | C18 | sing | 1.35Å | 1.35Å | |
| C18 | C19 | sing | 1.48Å | 1.46Å | |
| C19 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | N21 | sing | 1.33Å | 1.33Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C22 | doub | 1.31Å | 1.32Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.44Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | N27 | trip | 1.14Å | 1.12Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| N16 | H10 | sing | 0.97Å | 1.00Å | |
| N16 | H11 | sing | 0.97Å | 1.00Å | |
| N17 | H12 | sing | 0.97Å | 1.00Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C10 | C11 | 106.1° | 109.8° |
| F15 | C10 | C8 | 108.7° | 109.5° |
| F15 | C10 | H4 | 113.5° | 109.8° |
| F7 | C4 | C3 | 120.3° | 120.0° |
| F7 | C4 | C5 | 120.0° | 119.9° |
| C11 | C10 | C8 | 110.2° | 108.3° |
| C10 | C11 | O12 | 108.0° | 107.9° |
| C11 | C10 | H4 | 109.7° | 109.7° |
| C10 | C11 | H8 | 109.8° | 109.8° |
| C10 | C11 | H9 | 109.8° | 109.8° |
| C10 | C8 | C9 | 111.1° | 109.4° |
| C10 | C8 | C5 | 108.8° | 109.4° |
| C10 | C8 | N14 | 108.9° | 109.8° |
| C8 | C10 | H4 | 108.6° | 109.8° |
| C9 | C8 | C5 | 111.1° | 109.4° |
| C9 | C8 | N14 | 107.6° | 109.3° |
| C8 | C9 | H5 | 109.5° | 109.5° |
| C8 | C9 | H6 | 109.5° | 109.4° |
| C8 | C9 | H7 | 109.4° | 109.5° |
| C3 | C4 | C5 | 119.7° | 120.1° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C4 | C3 | H1 | 119.8° | 119.9° |
| C4 | C5 | C8 | 122.0° | 120.0° |
| C4 | C5 | C6 | 118.7° | 120.1° |
| C11 | O12 | C13 | 116.3° | 117.4° |
| O12 | C11 | H8 | 109.8° | 109.8° |
| O12 | C11 | H9 | 109.8° | 109.7° |
| C3 | C2 | C1 | 118.3° | 120.0° |
| C2 | C3 | H1 | 119.8° | 120.0° |
| C3 | C2 | H2 | 120.9° | 120.1° |
| C5 | C8 | N14 | 109.3° | 109.5° |
| C8 | C5 | C6 | 118.7° | 119.9° |
| C8 | N14 | C13 | 124.2° | 123.3° |
| C5 | C6 | C1 | 122.0° | 119.9° |
| C5 | C6 | H3 | 119.0° | 120.0° |
| O12 | C13 | N14 | 123.7° | 123.8° |
| O12 | C13 | N16 | 117.6° | 118.1° |
| N14 | C13 | N16 | 118.7° | 118.1° |
| C2 | C1 | C6 | 120.7° | 119.9° |
| C2 | C1 | N17 | 122.4° | 120.1° |
| C1 | C2 | H2 | 120.8° | 120.0° |
| C13 | N16 | H10 | 120.0° | 120.0° |
| C13 | N16 | H11 | 120.0° | 120.0° |
| C6 | C1 | N17 | 116.8° | 120.0° |
| C1 | C6 | H3 | 119.0° | 120.1° |
| C1 | N17 | C18 | 127.2° | 120.0° |
| C1 | N17 | H12 | 116.4° | 120.0° |
| O20 | C18 | N17 | 123.0° | 120.0° |
| O20 | C18 | C19 | 120.3° | 120.0° |
| N17 | C18 | C19 | 116.5° | 120.0° |
| C18 | N17 | H12 | 116.4° | 120.0° |
| C18 | C19 | C25 | 120.1° | 119.6° |
| C18 | C19 | N21 | 117.8° | 119.6° |
| C25 | C19 | N21 | 122.0° | 120.9° |
| C19 | C25 | C24 | 119.3° | 119.2° |
| C19 | C25 | H15 | 120.4° | 120.4° |
| C19 | N21 | C22 | 121.5° | 121.8° |
| C25 | C24 | C23 | 117.4° | 118.4° |
| C25 | C24 | H14 | 121.3° | 120.8° |
| C24 | C25 | H15 | 120.3° | 120.4° |
| N21 | C22 | C23 | 120.4° | 120.7° |
| N21 | C22 | H13 | 119.8° | 119.7° |
| C24 | C23 | C22 | 119.3° | 119.1° |
| C24 | C23 | C26 | 119.9° | 120.5° |
| C23 | C24 | H14 | 121.3° | 120.8° |
| C22 | C23 | C26 | 120.7° | 120.4° |
| C23 | C22 | H13 | 119.8° | 119.7° |
| C23 | C26 | N27 | 179.5° | 180.0° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.8° |
| H10 | N16 | H11 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C10 | C11 | C8 | 117.5° | 119.5° |
| F15 | C10 | C11 | H4 | 122.9° | 120.7° |
| F15 | C10 | C8 | H4 | 123.9° | 120.6° |
| F15 | C10 | C8 | C9 | 88.8° | 167.2° |
| F15 | C10 | C11 | O12 | 175.6° | 58.6° |
| F15 | C10 | C8 | C5 | 33.8° | 47.3° |
| F15 | C10 | C8 | N14 | 152.9° | 72.9° |
| F15 | C10 | C11 | H8 | 55.8° | 61.1° |
| F15 | C10 | C11 | H9 | 64.6° | 178.1° |
| F7 | C4 | C3 | C5 | 177.8° | 180.0° |
| F7 | C4 | C3 | C2 | 179.7° | 179.9° |
| F7 | C4 | C5 | C8 | 5.4° | 0.0° |
| F7 | C4 | C5 | C6 | 177.0° | 179.5° |
| F7 | C4 | C3 | H1 | 0.3° | 0.2° |
| C11 | C10 | C8 | H4 | 120.3° | 119.8° |
| C11 | C10 | C8 | C9 | 155.4° | 73.2° |
| C10 | C11 | O12 | H8 | 119.8° | 119.6° |
| C10 | C11 | O12 | H9 | 119.8° | 119.5° |
| C11 | C10 | C8 | C5 | 82.0° | 167.0° |
| C11 | C10 | C8 | N14 | 37.0° | 46.7° |
| C10 | C11 | O12 | C13 | 54.7° | 46.1° |
| C10 | C11 | H8 | H9 | 120.7° | 120.8° |
| C10 | C8 | C9 | C5 | 121.2° | 119.9° |
| C10 | C8 | C9 | N14 | 119.1° | 120.2° |
| C10 | C8 | C5 | C4 | 75.4° | 60.0° |
| C8 | C10 | C11 | O12 | 58.1° | 60.9° |
| C10 | C8 | C5 | N14 | 118.8° | 120.4° |
| C10 | C8 | C5 | C6 | 96.2° | 120.6° |
| C10 | C8 | N14 | C13 | 11.3° | 18.0° |
| C10 | C8 | C9 | H5 | 180.0° | 60.0° |
| C10 | C8 | C9 | H6 | 60.0° | 180.0° |
| C10 | C8 | C9 | H7 | 60.0° | 60.0° |
| C8 | C10 | C11 | H8 | 61.7° | 179.4° |
| C8 | C10 | C11 | H9 | 177.9° | 58.6° |
| C9 | C8 | C5 | C4 | 47.1° | 59.9° |
| C9 | C8 | C5 | N14 | 118.6° | 119.8° |
| C9 | C8 | C5 | C6 | 141.2° | 119.6° |
| C9 | C8 | N14 | C13 | 131.8° | 101.9° |
| C9 | C8 | C10 | H4 | 35.1° | 46.6° |
| C8 | C9 | H5 | H6 | 120.0° | 119.9° |
| C8 | C9 | H5 | H7 | 120.0° | 120.0° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C8 | 176.8° | 180.0° |
| C3 | C4 | C5 | C6 | 5.2° | 0.5° |
| C4 | C3 | C2 | C1 | 0.1° | 0.3° |
| C4 | C3 | C2 | H2 | 179.9° | 179.8° |
| C5 | C4 | C3 | C2 | 2.5° | 0.0° |
| C4 | C5 | C8 | C6 | 171.6° | 179.5° |
| C4 | C5 | C8 | N14 | 165.7° | 179.6° |
| C4 | C5 | C6 | C1 | 5.6° | 0.8° |
| C5 | C4 | C3 | H1 | 177.5° | 179.8° |
| C4 | C5 | C6 | H3 | 174.4° | 180.0° |
| C11 | O12 | C13 | N14 | 28.9° | 16.2° |
| C11 | O12 | C13 | N16 | 152.2° | 164.2° |
| O12 | C11 | C10 | H4 | 61.5° | 179.3° |
| O12 | C11 | H8 | H9 | 120.7° | 120.7° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.4° | 0.0° |
| C3 | C2 | C1 | N17 | 177.8° | 180.0° |
| C5 | C8 | N14 | C13 | 107.5° | 138.2° |
| C8 | C5 | C6 | C1 | 177.5° | 179.7° |
| C8 | C5 | C6 | H3 | 2.5° | 0.5° |
| C5 | C8 | C10 | H4 | 157.7° | 73.3° |
| C5 | C8 | C9 | H5 | 58.8° | 59.8° |
| C5 | C8 | C9 | H6 | 178.8° | 60.2° |
| C5 | C8 | C9 | H7 | 61.2° | 179.9° |
| N14 | C8 | C5 | C6 | 22.6° | 0.2° |
| C8 | N14 | C13 | O12 | 6.1° | 0.9° |
| C8 | N14 | C13 | N16 | 175.0° | 179.5° |
| N14 | C8 | C10 | H4 | 83.2° | 166.5° |
| N14 | C8 | C9 | H5 | 60.9° | 179.8° |
| N14 | C8 | C9 | H6 | 59.1° | 59.8° |
| N14 | C8 | C9 | H7 | 179.1° | 60.2° |
| C5 | C6 | C1 | C2 | 3.3° | 0.5° |
| C5 | C6 | C1 | H3 | 180.0° | 179.2° |
| C5 | C6 | C1 | N17 | 179.2° | 179.5° |
| O12 | C13 | N14 | N16 | 178.9° | 179.6° |
| C13 | O12 | C11 | H8 | 65.1° | 165.7° |
| C13 | O12 | C11 | H9 | 174.4° | 73.5° |
| O12 | C13 | N16 | H10 | 0.0° | 0.0° |
| O12 | C13 | N16 | H11 | 180.0° | 180.0° |
| N14 | C13 | N16 | H10 | 178.9° | 179.7° |
| N14 | C13 | N16 | H11 | 1.0° | 0.3° |
| C2 | C1 | C6 | N17 | 177.5° | 180.0° |
| C2 | C1 | N17 | C18 | 18.2° | 33.3° |
| C1 | C2 | C3 | H1 | 179.9° | 180.0° |
| C2 | C1 | C6 | H3 | 176.7° | 179.7° |
| C2 | C1 | N17 | H12 | 161.8° | 146.7° |
| C13 | N16 | H10 | H11 | 179.9° | 180.0° |
| C6 | C1 | N17 | C18 | 159.2° | 146.7° |
| C6 | C1 | C2 | H2 | 179.6° | 179.9° |
| C6 | C1 | N17 | H12 | 20.8° | 33.3° |
| C1 | N17 | C18 | O20 | 9.2° | 5.2° |
| C1 | N17 | C18 | H12 | 180.0° | 180.0° |
| C1 | N17 | C18 | C19 | 176.1° | 174.7° |
| N17 | C1 | C2 | H2 | 2.2° | 0.1° |
| N17 | C1 | C6 | H3 | 0.8° | 0.3° |
| O20 | C18 | N17 | C19 | 174.8° | 179.9° |
| O20 | C18 | C19 | C25 | 22.8° | 0.1° |
| O20 | C18 | C19 | N21 | 161.6° | 179.7° |
| O20 | C18 | N17 | H12 | 170.8° | 174.7° |
| N17 | C18 | C19 | C25 | 162.3° | 180.0° |
| N17 | C18 | C19 | N21 | 13.3° | 0.2° |
| C18 | C19 | C25 | N21 | 175.4° | 179.7° |
| C18 | C19 | C25 | C24 | 177.2° | 179.7° |
| C18 | C19 | N21 | C22 | 174.7° | 180.0° |
| C19 | C18 | N17 | H12 | 4.0° | 5.3° |
| C18 | C19 | C25 | H15 | 2.8° | 0.1° |
| C19 | C25 | C24 | H15 | 180.0° | 179.8° |
| C25 | C19 | N21 | C22 | 0.7° | 0.2° |
| C19 | C25 | C24 | C23 | 2.7° | 0.5° |
| C19 | C25 | C24 | H14 | 177.3° | 179.7° |
| N21 | C19 | C25 | C24 | 1.8° | 0.5° |
| C19 | N21 | C22 | C23 | 2.2° | 0.0° |
| C19 | N21 | C22 | H13 | 177.8° | 180.0° |
| N21 | C19 | C25 | H15 | 178.2° | 179.7° |
| C25 | C24 | C23 | H14 | 180.0° | 179.8° |
| C25 | C24 | C23 | C22 | 1.3° | 0.2° |
| C25 | C24 | C23 | C26 | 179.7° | 179.8° |
| N21 | C22 | C23 | C24 | 1.2° | 0.1° |
| N21 | C22 | C23 | H13 | 180.0° | 179.9° |
| N21 | C22 | C23 | C26 | 177.2° | 180.0° |
| C24 | C23 | C22 | C26 | 178.4° | 180.0° |
| C24 | C23 | C26 | N27 | 72.7° | 18.1° |
| C24 | C23 | C22 | H13 | 178.8° | 180.0° |
| C23 | C24 | C25 | H15 | 177.3° | 179.7° |
| C22 | C23 | C26 | N27 | 109.0° | 161.9° |
| C22 | C23 | C24 | H14 | 178.7° | 180.0° |
| C26 | C23 | C22 | H13 | 2.8° | 0.0° |
| C26 | C23 | C24 | H14 | 0.3° | 0.0° |
| H1 | C3 | C2 | H2 | 0.1° | 0.1° |
| H4 | C10 | C11 | H8 | 178.7° | 59.6° |
| H4 | C10 | C11 | H9 | 58.3° | 61.2° |
| H5 | C9 | H6 | H7 | 120.0° | 120.0° |
| H14 | C24 | C25 | H15 | 2.7° | 0.1° |
