5II
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.46Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| O1 | C9 | sing | 1.43Å | 1.46Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.39Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C7 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| O6 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C3 | 113.5° | 109.5° |
| O4 | C4 | C5 | 110.4° | 109.6° |
| O4 | C4 | H11 | 107.1° | 109.5° |
| C4 | O4 | H12 | 109.5° | 114.0° |
| O3 | C3 | C4 | 110.9° | 109.5° |
| O3 | C3 | C2 | 109.7° | 109.5° |
| O3 | C3 | H9 | 109.2° | 109.6° |
| C3 | O3 | H10 | 109.5° | 114.0° |
| C4 | C3 | C2 | 111.3° | 109.0° |
| C3 | C4 | C5 | 112.7° | 109.1° |
| C4 | C3 | H9 | 108.1° | 109.6° |
| C3 | C4 | H11 | 106.5° | 109.6° |
| C3 | C2 | C1 | 108.2° | 109.2° |
| C3 | C2 | C7 | 115.0° | 109.5° |
| C3 | C2 | H5 | 107.8° | 109.6° |
| C2 | C3 | H9 | 107.5° | 109.6° |
| C9 | O1 | C1 | 114.8° | 114.0° |
| O1 | C9 | H1 | 109.5° | 109.5° |
| O1 | C9 | H2 | 109.5° | 109.5° |
| O1 | C9 | H3 | 109.5° | 109.4° |
| O1 | C1 | C2 | 108.9° | 109.5° |
| O1 | C1 | O5 | 110.9° | 109.5° |
| O1 | C1 | H4 | 107.5° | 109.5° |
| C4 | C5 | C6 | 112.3° | 109.5° |
| C4 | C5 | O5 | 110.3° | 109.4° |
| C5 | C4 | H11 | 106.1° | 109.5° |
| C4 | C5 | H13 | 108.8° | 109.5° |
| C6 | C5 | O5 | 105.5° | 109.5° |
| C5 | C6 | O6 | 111.0° | 109.5° |
| C6 | C5 | H13 | 109.0° | 109.4° |
| C5 | C6 | H14 | 109.1° | 109.5° |
| C5 | C6 | H15 | 109.1° | 109.5° |
| C5 | O5 | C1 | 113.3° | 114.1° |
| O5 | C5 | H13 | 110.9° | 109.5° |
| C1 | C2 | C7 | 109.4° | 109.5° |
| C2 | C1 | O5 | 115.2° | 109.4° |
| C2 | C1 | H4 | 106.4° | 109.5° |
| C1 | C2 | H5 | 108.0° | 109.5° |
| C7 | C2 | H5 | 108.2° | 109.5° |
| C2 | C7 | H6 | 109.5° | 109.4° |
| C2 | C7 | H7 | 109.5° | 109.5° |
| C2 | C7 | H8 | 109.4° | 109.5° |
| O5 | C1 | H4 | 107.6° | 109.5° |
| O6 | C6 | H14 | 109.1° | 109.5° |
| O6 | C6 | H15 | 109.1° | 109.5° |
| C6 | O6 | H16 | 109.5° | 114.0° |
| H1 | C9 | H2 | 109.5° | 109.5° |
| H1 | C9 | H3 | 109.5° | 109.5° |
| H2 | C9 | H3 | 109.4° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H14 | C6 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | O3 | 59.9° | 63.2° |
| O4 | C4 | C3 | C5 | 126.5° | 119.9° |
| O4 | C4 | C3 | H11 | 117.5° | 120.2° |
| O4 | C4 | C3 | C2 | 177.7° | 176.9° |
| O4 | C4 | C5 | H11 | 115.7° | 120.2° |
| O4 | C4 | C5 | C6 | 59.2° | 62.5° |
| O4 | C4 | C5 | O5 | 176.6° | 177.6° |
| O4 | C4 | C3 | H9 | 59.8° | 57.0° |
| O4 | C4 | C5 | H13 | 61.6° | 57.5° |
| O3 | C3 | C4 | C2 | 122.4° | 119.9° |
| O3 | C3 | C4 | H9 | 119.7° | 120.3° |
| O3 | C3 | C2 | H9 | 118.7° | 120.3° |
| O3 | C3 | C4 | C5 | 173.6° | 176.8° |
| O3 | C3 | C2 | C1 | 170.6° | 176.8° |
| O3 | C3 | C2 | C7 | 47.9° | 56.9° |
| O3 | C3 | C2 | H5 | 72.8° | 63.3° |
| O3 | C3 | C4 | H11 | 57.6° | 56.9° |
| C4 | C3 | C2 | H9 | 118.2° | 119.9° |
| C3 | C4 | C5 | H11 | 116.2° | 119.9° |
| C3 | C4 | C5 | C6 | 172.7° | 177.6° |
| C3 | C4 | C5 | O5 | 55.3° | 57.6° |
| C4 | C3 | C2 | C1 | 47.5° | 57.0° |
| C4 | C3 | C2 | C7 | 75.2° | 62.9° |
| C4 | C3 | C2 | H5 | 164.1° | 176.9° |
| C4 | C3 | O3 | H10 | 180.0° | 60.0° |
| C3 | C4 | O4 | H12 | 180.0° | 179.9° |
| C3 | C4 | C5 | H13 | 66.6° | 62.4° |
| C3 | C2 | C1 | O1 | 74.0° | 62.4° |
| C2 | C3 | C4 | C5 | 51.2° | 57.0° |
| C3 | C2 | C1 | C7 | 126.0° | 119.9° |
| C3 | C2 | C1 | H5 | 116.4° | 119.9° |
| C3 | C2 | C7 | H5 | 120.5° | 120.2° |
| C3 | C2 | C1 | O5 | 51.2° | 57.6° |
| C3 | C2 | C1 | H4 | 170.4° | 177.6° |
| C3 | C2 | C7 | H6 | 180.0° | 59.7° |
| C3 | C2 | C7 | H7 | 60.0° | 60.3° |
| C3 | C2 | C7 | H8 | 60.0° | 179.7° |
| C2 | C3 | O3 | H10 | 56.6° | 179.5° |
| C2 | C3 | C4 | H11 | 64.8° | 62.9° |
| C9 | O1 | C1 | C2 | 177.5° | 170.1° |
| C9 | O1 | C1 | O5 | 54.7° | 70.0° |
| O1 | C9 | H1 | H2 | 120.0° | 120.0° |
| O1 | C9 | H1 | H3 | 120.0° | 119.9° |
| O1 | C9 | H2 | H3 | 120.0° | 120.0° |
| C9 | O1 | C1 | H4 | 62.7° | 50.0° |
| O1 | C1 | O5 | C5 | 65.6° | 58.8° |
| O1 | C1 | C2 | O5 | 125.2° | 120.0° |
| O1 | C1 | C2 | H4 | 115.6° | 120.0° |
| O1 | C1 | C2 | C7 | 159.9° | 177.7° |
| O1 | C1 | O5 | H4 | 117.3° | 120.0° |
| C1 | O1 | C9 | H1 | 180.0° | 60.0° |
| C1 | O1 | C9 | H2 | 60.0° | 180.0° |
| C1 | O1 | C9 | H3 | 60.0° | 60.0° |
| O1 | C1 | C2 | H5 | 42.4° | 57.6° |
| C4 | C5 | C6 | O5 | 120.2° | 119.9° |
| C4 | C5 | C6 | H13 | 120.6° | 120.0° |
| C4 | C5 | O5 | H13 | 120.6° | 120.0° |
| C4 | C5 | O5 | C1 | 57.4° | 61.2° |
| C4 | C5 | C6 | O6 | 173.8° | 175.0° |
| C5 | C4 | C3 | H9 | 66.7° | 62.9° |
| C5 | C4 | O4 | H12 | 52.3° | 60.3° |
| C4 | C5 | C6 | H14 | 53.6° | 55.0° |
| C4 | C5 | C6 | H15 | 66.0° | 65.0° |
| C6 | C5 | O5 | H13 | 117.9° | 120.0° |
| C6 | C5 | O5 | C1 | 179.0° | 178.8° |
| C5 | C6 | O6 | H14 | 120.2° | 120.0° |
| C5 | C6 | O6 | H15 | 120.2° | 120.0° |
| C6 | C5 | C4 | H11 | 56.5° | 57.7° |
| C5 | C6 | H14 | H15 | 119.3° | 120.0° |
| C5 | C6 | O6 | H16 | 180.0° | 180.0° |
| C5 | O5 | C1 | C2 | 58.6° | 61.2° |
| O5 | C5 | C6 | O6 | 65.9° | 65.1° |
| C5 | O5 | C1 | H4 | 177.1° | 178.8° |
| O5 | C5 | C4 | H11 | 60.9° | 62.3° |
| O5 | C5 | C6 | H14 | 173.9° | 174.9° |
| O5 | C5 | C6 | H15 | 54.3° | 55.0° |
| C1 | C2 | C7 | H5 | 117.4° | 120.1° |
| C2 | C1 | O5 | H4 | 118.5° | 120.0° |
| C1 | C2 | C7 | H6 | 58.0° | 60.0° |
| C1 | C2 | C7 | H7 | 62.1° | 180.0° |
| C1 | C2 | C7 | H8 | 178.0° | 60.0° |
| C1 | C2 | C3 | H9 | 70.7° | 62.9° |
| C7 | C2 | C1 | O5 | 74.8° | 62.3° |
| C7 | C2 | C1 | H4 | 44.4° | 57.7° |
| C2 | C7 | H6 | H7 | 120.0° | 120.0° |
| C2 | C7 | H6 | H8 | 120.0° | 120.0° |
| C2 | C7 | H7 | H8 | 120.0° | 120.0° |
| C7 | C2 | C3 | H9 | 166.6° | 177.2° |
| O5 | C1 | C2 | H5 | 167.6° | 177.6° |
| C1 | O5 | C5 | H13 | 63.1° | 58.8° |
| O6 | C6 | C5 | H13 | 53.2° | 55.0° |
| O6 | C6 | H14 | H15 | 119.3° | 120.0° |
| H1 | C9 | H2 | H3 | 120.0° | 120.0° |
| H4 | C1 | C2 | H5 | 73.2° | 62.5° |
| H5 | C2 | C7 | H6 | 59.4° | 179.9° |
| H5 | C2 | C7 | H7 | 179.5° | 59.9° |
| H5 | C2 | C7 | H8 | 60.6° | 60.2° |
| H5 | C2 | C3 | H9 | 45.8° | 57.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H9 | C3 | O3 | H10 | 61.0° | 60.2° |
| H9 | C3 | C4 | H11 | 177.3° | 177.2° |
| H11 | C4 | O4 | H12 | 62.8° | 59.9° |
| H11 | C4 | C5 | H13 | 177.2° | 177.7° |
| H13 | C5 | C6 | H14 | 67.0° | 65.1° |
| H13 | C5 | C6 | H15 | 173.4° | 175.0° |
| H14 | C6 | O6 | H16 | 59.8° | 60.0° |
| H15 | C6 | O6 | H16 | 59.8° | 60.0° |
