7FB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | sing | 1.43Å | 1.38Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C5 | O1 | sing | 1.43Å | 1.39Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | C5 | 115.3° | 109.5° |
| C6 | O2 | H1 | 109.5° | 114.0° |
| O2 | C6 | H2 | 108.0° | 109.5° |
| O2 | C6 | H3 | 108.0° | 109.5° |
| C4 | C5 | C6 | 109.1° | 109.5° |
| C5 | C4 | C3 | 117.2° | 109.5° |
| C4 | C5 | O1 | 111.9° | 109.5° |
| C4 | C5 | H4 | 107.7° | 109.5° |
| C5 | C4 | H5 | 107.5° | 109.5° |
| C5 | C4 | H13 | 107.5° | 109.5° |
| C6 | C5 | O1 | 111.2° | 109.5° |
| C5 | C6 | H2 | 108.0° | 109.4° |
| C5 | C6 | H3 | 108.0° | 109.4° |
| C6 | C5 | H4 | 107.7° | 109.5° |
| C4 | C3 | C2 | 117.1° | 109.5° |
| C3 | C4 | H5 | 107.5° | 109.5° |
| C4 | C3 | H6 | 107.5° | 109.5° |
| C3 | C4 | H13 | 107.5° | 109.5° |
| C4 | C3 | H14 | 107.6° | 109.4° |
| C3 | C2 | C1 | 117.3° | 109.5° |
| C2 | C3 | H6 | 107.5° | 109.5° |
| C3 | C2 | H7 | 107.5° | 109.5° |
| C3 | C2 | H8 | 107.5° | 109.5° |
| C2 | C3 | H14 | 107.5° | 109.4° |
| C1 | C2 | H7 | 107.4° | 109.5° |
| C1 | C2 | H8 | 107.4° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| O1 | C5 | H4 | 109.1° | 109.5° |
| C5 | O1 | H12 | 109.5° | 114.0° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H5 | C4 | H13 | 109.5° | 109.4° |
| H6 | C3 | H14 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H11 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | C5 | C4 | 69.7° | 175.0° |
| O2 | C6 | C5 | H2 | 120.9° | 120.0° |
| O2 | C6 | C5 | H3 | 120.8° | 120.0° |
| O2 | C6 | C5 | O1 | 166.5° | 65.0° |
| O2 | C6 | H2 | H3 | 117.4° | 120.1° |
| O2 | C6 | C5 | H4 | 47.0° | 55.0° |
| C4 | C5 | C6 | O1 | 123.9° | 120.0° |
| C4 | C5 | C6 | H4 | 116.6° | 120.0° |
| C5 | C4 | C3 | H5 | 121.1° | 120.0° |
| C5 | C4 | C3 | H13 | 121.1° | 120.0° |
| C5 | C4 | C3 | C2 | 169.9° | 180.0° |
| C4 | C5 | O1 | H4 | 119.0° | 120.0° |
| C4 | C5 | C6 | H2 | 51.2° | 55.0° |
| C4 | C5 | C6 | H3 | 169.5° | 65.0° |
| C5 | C4 | H5 | H13 | 116.5° | 120.0° |
| C5 | C4 | C3 | H6 | 69.0° | 60.0° |
| C4 | C5 | O1 | H12 | 180.0° | 60.0° |
| C5 | C4 | C3 | H14 | 48.8° | 60.0° |
| C6 | C5 | C4 | C3 | 49.0° | 175.0° |
| C6 | C5 | O1 | H4 | 118.6° | 120.0° |
| C5 | C6 | O2 | H1 | 180.0° | 179.9° |
| C5 | C6 | H2 | H3 | 117.3° | 119.9° |
| C6 | C5 | C4 | H5 | 170.1° | 55.0° |
| C6 | C5 | O1 | H12 | 57.7° | 60.0° |
| C6 | C5 | C4 | H13 | 72.1° | 65.0° |
| C4 | C3 | C2 | H6 | 121.1° | 120.0° |
| C4 | C3 | C2 | H14 | 121.1° | 120.0° |
| C4 | C3 | C2 | C1 | 155.3° | 179.9° |
| C3 | C4 | C5 | O1 | 74.5° | 65.0° |
| C3 | C4 | C5 | H4 | 165.6° | 55.0° |
| C3 | C4 | H5 | H13 | 116.5° | 120.0° |
| C4 | C3 | H6 | H14 | 116.6° | 120.0° |
| C4 | C3 | C2 | H7 | 34.2° | 60.0° |
| C4 | C3 | C2 | H8 | 83.6° | 60.0° |
| C3 | C2 | C1 | H7 | 121.1° | 120.0° |
| C3 | C2 | C1 | H8 | 121.1° | 120.0° |
| C2 | C3 | C4 | H5 | 48.8° | 60.0° |
| C2 | C3 | H6 | H14 | 116.5° | 120.0° |
| C3 | C2 | H7 | H8 | 116.5° | 120.0° |
| C3 | C2 | C1 | H9 | 180.0° | 60.0° |
| C3 | C2 | C1 | H10 | 60.0° | 60.0° |
| C3 | C2 | C1 | H11 | 60.0° | 180.0° |
| C2 | C3 | C4 | H13 | 69.0° | 60.0° |
| C1 | C2 | C3 | H6 | 83.6° | 60.0° |
| C1 | C2 | H7 | H8 | 116.4° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.1° |
| C1 | C2 | C3 | H14 | 34.2° | 60.0° |
| O1 | C5 | C6 | H2 | 72.7° | 175.0° |
| O1 | C5 | C6 | H3 | 45.6° | 55.0° |
| O1 | C5 | C4 | H5 | 46.6° | 175.0° |
| O1 | C5 | C4 | H13 | 164.4° | 55.0° |
| H1 | O2 | C6 | H2 | 59.1° | 60.1° |
| H1 | O2 | C6 | H3 | 59.2° | 60.0° |
| H2 | C6 | C5 | H4 | 167.8° | 65.1° |
| H3 | C6 | C5 | H4 | 73.9° | 175.0° |
| H4 | C5 | C4 | H5 | 73.3° | 65.0° |
| H4 | C5 | O1 | H12 | 61.0° | 180.0° |
| H4 | C5 | C4 | H13 | 44.5° | 175.0° |
| H5 | C4 | C3 | H6 | 169.9° | 180.0° |
| H5 | C4 | C3 | H14 | 72.3° | 60.0° |
| H6 | C3 | C2 | H7 | 155.3° | 180.0° |
| H6 | C3 | C2 | H8 | 37.5° | 60.1° |
| H6 | C3 | C4 | H13 | 52.1° | 60.0° |
| H7 | C2 | C1 | H9 | 58.9° | 180.0° |
| H7 | C2 | C1 | H10 | 178.9° | 60.0° |
| H7 | C2 | C1 | H11 | 61.2° | 60.0° |
| H7 | C2 | C3 | H14 | 86.9° | 60.0° |
| H8 | C2 | C1 | H9 | 58.9° | 60.0° |
| H8 | C2 | C1 | H10 | 61.1° | 180.0° |
| H8 | C2 | C1 | H11 | 178.9° | 59.9° |
| H8 | C2 | C3 | H14 | 155.3° | 180.0° |
| H9 | C1 | H10 | H11 | 120.0° | 119.9° |
| H13 | C4 | C3 | H14 | 169.9° | 180.0° |
