HV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | O13 | sing | 1.36Å | 1.39Å | |
| C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | C09 | sing | 1.48Å | 1.52Å | |
| C09 | O10 | doub | 1.22Å | 1.18Å | |
| C09 | C11 | sing | 1.42Å | 1.52Å | |
| C11 | C12 | doub | 1.35Å | 1.32Å | |
| C12 | O21 | sing | 1.35Å | 1.40Å | |
| C12 | C14 | sing | 1.51Å | 1.53Å | |
| F17 | C15 | sing | 1.40Å | 1.36Å | |
| F20 | C14 | sing | 1.40Å | 1.36Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | F19 | sing | 1.40Å | 1.36Å | |
| C15 | F16 | sing | 1.40Å | 1.36Å | |
| C15 | F18 | sing | 1.40Å | 1.36Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| O13 | H8 | sing | 0.97Å | 0.95Å | |
| O21 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 113.8° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C03 | C04 | 119.4° | 119.9° |
| O02 | C03 | C08 | 120.3° | 119.9° |
| C04 | C03 | C08 | 120.3° | 120.3° |
| C03 | C04 | C05 | 119.5° | 120.1° |
| C03 | C04 | H4 | 120.2° | 120.0° |
| C03 | C08 | C07 | 120.0° | 120.2° |
| C03 | C08 | H6 | 120.0° | 119.9° |
| C04 | C05 | O13 | 120.4° | 120.1° |
| C04 | C05 | C06 | 120.5° | 119.7° |
| C05 | C04 | H4 | 120.2° | 119.9° |
| C08 | C07 | C06 | 119.6° | 120.0° |
| C08 | C07 | H5 | 120.2° | 120.0° |
| C07 | C08 | H6 | 120.0° | 119.9° |
| O13 | C05 | C06 | 119.2° | 120.1° |
| C05 | O13 | H8 | 109.5° | 114.0° |
| C05 | C06 | C07 | 120.1° | 119.7° |
| C05 | C06 | C09 | 118.6° | 120.2° |
| C07 | C06 | C09 | 121.3° | 120.1° |
| C06 | C07 | H5 | 120.2° | 120.0° |
| C06 | C09 | O10 | 119.7° | 120.0° |
| C06 | C09 | C11 | 119.8° | 120.0° |
| O10 | C09 | C11 | 120.5° | 120.0° |
| C09 | C11 | C12 | 122.5° | 120.0° |
| C09 | C11 | H7 | 118.7° | 120.0° |
| C11 | C12 | O21 | 120.3° | 120.0° |
| C11 | C12 | C14 | 120.1° | 120.0° |
| C12 | C11 | H7 | 118.8° | 120.0° |
| O21 | C12 | C14 | 119.6° | 120.0° |
| C12 | O21 | H9 | 109.5° | 116.9° |
| C12 | C14 | F20 | 109.0° | 109.5° |
| C12 | C14 | C15 | 113.4° | 109.5° |
| C12 | C14 | F19 | 108.7° | 109.4° |
| F17 | C15 | C14 | 111.2° | 109.5° |
| F17 | C15 | F16 | 109.9° | 109.5° |
| F17 | C15 | F18 | 108.4° | 109.5° |
| F20 | C14 | C15 | 108.9° | 109.5° |
| F20 | C14 | F19 | 108.7° | 109.4° |
| C15 | C14 | F19 | 108.0° | 109.5° |
| C14 | C15 | F16 | 110.0° | 109.5° |
| C14 | C15 | F18 | 108.2° | 109.4° |
| F16 | C15 | F18 | 109.1° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 62.2° | 180.0° |
| C01 | O02 | C03 | C08 | 118.1° | 0.3° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O02 | C03 | C04 | C08 | 179.6° | 179.8° |
| O02 | C03 | C04 | C05 | 179.8° | 179.7° |
| O02 | C03 | C08 | C07 | 179.4° | 179.7° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 180.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C04 | H4 | 0.2° | 0.2° |
| O02 | C03 | C08 | H6 | 0.6° | 0.3° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C04 | C03 | C08 | C07 | 0.2° | 0.0° |
| C03 | C04 | C05 | O13 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C04 | C03 | C08 | H6 | 179.8° | 180.0° |
| C08 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C08 | C07 | H6 | 180.0° | 180.0° |
| C03 | C08 | C07 | C06 | 0.6° | 0.0° |
| C08 | C03 | C04 | H4 | 179.9° | 180.0° |
| C03 | C08 | C07 | H5 | 179.4° | 180.0° |
| C04 | C05 | O13 | C06 | 179.8° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.0° |
| C04 | C05 | C06 | C09 | 180.0° | 179.9° |
| C04 | C05 | O13 | H8 | 178.7° | 90.1° |
| C08 | C07 | C06 | C05 | 0.6° | 0.0° |
| C08 | C07 | C06 | H5 | 180.0° | 180.0° |
| C08 | C07 | C06 | C09 | 179.7° | 180.0° |
| O13 | C05 | C06 | C07 | 179.6° | 180.0° |
| O13 | C05 | C06 | C09 | 0.1° | 0.0° |
| O13 | C05 | C04 | H4 | 0.1° | 0.1° |
| C05 | C06 | C07 | C09 | 179.7° | 180.0° |
| C05 | C06 | C09 | O10 | 3.0° | 0.0° |
| C05 | C06 | C09 | C11 | 176.4° | 180.0° |
| C06 | C05 | C04 | H4 | 179.9° | 180.0° |
| C05 | C06 | C07 | H5 | 179.4° | 180.0° |
| C06 | C05 | O13 | H8 | 1.1° | 90.0° |
| C07 | C06 | C09 | O10 | 176.7° | 180.0° |
| C07 | C06 | C09 | C11 | 3.9° | 0.0° |
| C06 | C07 | C08 | H6 | 179.4° | 180.0° |
| C06 | C09 | O10 | C11 | 179.4° | 180.0° |
| C06 | C09 | C11 | C12 | 179.7° | 173.9° |
| C09 | C06 | C07 | H5 | 0.3° | 0.0° |
| C06 | C09 | C11 | H7 | 0.3° | 6.1° |
| O10 | C09 | C11 | C12 | 0.3° | 6.1° |
| O10 | C09 | C11 | H7 | 179.7° | 173.9° |
| C09 | C11 | C12 | H7 | 180.0° | 180.0° |
| C09 | C11 | C12 | O21 | 0.7° | 8.5° |
| C09 | C11 | C12 | C14 | 179.6° | 171.2° |
| C11 | C12 | O21 | C14 | 178.9° | 179.7° |
| C11 | C12 | C14 | F20 | 44.6° | 0.2° |
| C11 | C12 | C14 | C15 | 76.9° | 120.3° |
| C11 | C12 | C14 | F19 | 163.0° | 119.7° |
| C11 | C12 | O21 | H9 | 0.5° | 6.7° |
| O21 | C12 | C14 | F20 | 134.3° | 180.0° |
| O21 | C12 | C14 | C15 | 104.2° | 59.9° |
| O21 | C12 | C14 | F19 | 15.9° | 60.0° |
| O21 | C12 | C11 | H7 | 179.3° | 171.5° |
| C12 | C14 | C15 | F17 | 65.7° | 180.0° |
| C12 | C14 | F20 | C15 | 124.2° | 120.1° |
| C12 | C14 | F20 | F19 | 118.4° | 119.9° |
| C12 | C14 | C15 | F19 | 120.6° | 119.9° |
| C12 | C14 | C15 | F16 | 56.3° | 59.9° |
| C12 | C14 | C15 | F18 | 175.4° | 60.0° |
| C14 | C12 | C11 | H7 | 0.4° | 8.8° |
| C14 | C12 | O21 | H9 | 179.4° | 173.6° |
| F17 | C15 | C14 | F20 | 55.9° | 59.9° |
| F17 | C15 | C14 | F16 | 122.0° | 120.0° |
| F17 | C15 | C14 | F18 | 118.9° | 120.0° |
| F17 | C15 | C14 | F19 | 173.7° | 60.1° |
| F17 | C15 | F16 | F18 | 118.7° | 120.0° |
| F20 | C14 | C15 | F19 | 117.8° | 120.0° |
| F20 | C14 | C15 | F16 | 177.9° | 180.0° |
| F20 | C14 | C15 | F18 | 63.0° | 60.0° |
| C14 | C15 | F16 | F18 | 118.6° | 120.0° |
| F19 | C14 | C15 | F16 | 64.3° | 60.0° |
| F19 | C14 | C15 | F18 | 54.8° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H5 | C07 | C08 | H6 | 0.6° | 0.0° |
