8O9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.38Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C07 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C07 | N06 | sing | 1.47Å | 1.48Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| N06 | C05 | sing | 1.47Å | 1.48Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| N06 | H10 | sing | 1.01Å | 1.00Å | |
| O01 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 107.5° | 109.5° |
| O01 | C02 | C07 | 106.8° | 109.5° |
| O01 | C02 | H1 | 112.1° | 109.5° |
| C02 | O01 | H12 | 109.5° | 114.0° |
| C03 | C02 | C07 | 110.6° | 109.3° |
| C02 | C03 | C04 | 109.9° | 109.2° |
| C03 | C02 | H1 | 110.0° | 109.5° |
| C02 | C03 | H2 | 109.4° | 109.5° |
| C02 | C03 | H3 | 109.4° | 109.5° |
| C02 | C07 | N06 | 109.8° | 109.5° |
| C07 | C02 | H1 | 109.8° | 109.5° |
| C02 | C07 | H8 | 109.4° | 109.4° |
| C02 | C07 | H9 | 109.4° | 109.5° |
| C03 | C04 | C05 | 110.7° | 109.3° |
| C04 | C03 | H2 | 109.4° | 109.5° |
| C04 | C03 | H3 | 109.4° | 109.5° |
| C03 | C04 | H4 | 109.2° | 109.5° |
| C03 | C04 | H5 | 109.1° | 109.5° |
| C07 | N06 | C05 | 112.8° | 111.2° |
| N06 | C07 | H8 | 109.4° | 109.4° |
| N06 | C07 | H9 | 109.4° | 109.5° |
| C07 | N06 | H10 | 108.6° | 110.9° |
| C04 | C05 | N06 | 109.8° | 109.5° |
| C05 | C04 | H4 | 109.2° | 109.5° |
| C05 | C04 | H5 | 109.2° | 109.5° |
| C04 | C05 | H6 | 109.4° | 109.5° |
| C04 | C05 | H7 | 109.4° | 109.4° |
| N06 | C05 | H6 | 109.4° | 109.5° |
| N06 | C05 | H7 | 109.4° | 109.5° |
| C05 | N06 | H10 | 108.6° | 111.0° |
| H2 | C03 | H3 | 109.5° | 109.6° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.4° |
| H8 | C07 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C07 | 116.3° | 120.0° |
| O01 | C02 | C03 | H1 | 122.4° | 120.1° |
| O01 | C02 | C07 | H1 | 121.8° | 120.1° |
| O01 | C02 | C03 | C04 | 173.0° | 177.6° |
| O01 | C02 | C07 | N06 | 173.1° | 179.1° |
| O01 | C02 | C03 | H2 | 66.9° | 62.5° |
| O01 | C02 | C03 | H3 | 53.0° | 57.7° |
| O01 | C02 | C07 | H8 | 53.1° | 59.2° |
| O01 | C02 | C07 | H9 | 66.8° | 60.8° |
| C03 | C02 | C07 | H1 | 121.5° | 119.9° |
| C02 | C03 | C04 | H2 | 120.1° | 119.9° |
| C02 | C03 | C04 | H3 | 120.1° | 119.9° |
| C03 | C02 | C07 | N06 | 56.4° | 59.1° |
| C02 | C03 | C04 | C05 | 57.1° | 57.6° |
| C02 | C03 | H2 | H3 | 119.8° | 120.1° |
| C02 | C03 | C04 | H4 | 63.1° | 62.3° |
| C02 | C03 | C04 | H5 | 177.3° | 177.6° |
| C03 | C02 | C07 | H8 | 63.6° | 60.8° |
| C03 | C02 | C07 | H9 | 176.5° | 179.2° |
| C03 | C02 | O01 | H12 | 180.0° | 180.0° |
| C07 | C02 | C03 | C04 | 56.8° | 57.6° |
| C02 | C07 | N06 | H8 | 120.1° | 119.9° |
| C02 | C07 | N06 | H9 | 120.1° | 120.0° |
| C02 | C07 | N06 | C05 | 57.6° | 61.7° |
| C07 | C02 | C03 | H2 | 176.8° | 177.5° |
| C07 | C02 | C03 | H3 | 63.3° | 62.3° |
| C02 | C07 | H8 | H9 | 119.9° | 120.0° |
| C02 | C07 | N06 | H10 | 178.1° | 174.2° |
| C07 | C02 | O01 | H12 | 61.3° | 60.1° |
| C03 | C04 | C05 | H4 | 120.2° | 119.9° |
| C03 | C04 | C05 | H5 | 120.2° | 120.0° |
| C03 | C04 | C05 | N06 | 57.0° | 59.2° |
| C04 | C03 | C02 | H1 | 64.6° | 62.3° |
| C04 | C03 | H2 | H3 | 119.8° | 120.2° |
| C03 | C04 | H4 | H5 | 119.4° | 120.1° |
| C03 | C04 | C05 | H6 | 177.0° | 179.2° |
| C03 | C04 | C05 | H7 | 63.1° | 60.9° |
| C07 | N06 | C05 | C04 | 57.9° | 61.7° |
| C07 | N06 | C05 | H10 | 120.5° | 124.0° |
| N06 | C07 | C02 | H1 | 65.1° | 60.8° |
| C07 | N06 | C05 | H6 | 177.9° | 178.2° |
| C07 | N06 | C05 | H7 | 62.2° | 58.3° |
| N06 | C07 | H8 | H9 | 119.8° | 120.0° |
| C04 | C05 | N06 | H6 | 120.1° | 120.0° |
| C04 | C05 | N06 | H7 | 120.1° | 120.0° |
| C05 | C04 | C03 | H2 | 177.2° | 177.5° |
| C05 | C04 | C03 | H3 | 62.9° | 62.3° |
| C05 | C04 | H4 | H5 | 119.4° | 120.1° |
| C04 | C05 | H6 | H7 | 119.9° | 120.0° |
| C04 | C05 | N06 | H10 | 178.4° | 174.2° |
| N06 | C05 | C04 | H4 | 63.2° | 60.7° |
| N06 | C05 | C04 | H5 | 177.1° | 179.1° |
| N06 | C05 | H6 | H7 | 119.8° | 120.0° |
| C05 | N06 | C07 | H8 | 62.5° | 58.2° |
| C05 | N06 | C07 | H9 | 177.7° | 178.2° |
| H1 | C02 | C03 | H2 | 55.5° | 57.6° |
| H1 | C02 | C03 | H3 | 175.3° | 177.8° |
| H1 | C02 | C07 | H8 | 174.9° | 179.3° |
| H1 | C02 | C07 | H9 | 55.0° | 59.3° |
| H1 | C02 | O01 | H12 | 59.0° | 59.9° |
| H2 | C03 | C04 | H4 | 57.0° | 57.6° |
| H2 | C03 | C04 | H5 | 62.6° | 62.5° |
| H3 | C03 | C04 | H4 | 176.9° | 177.8° |
| H3 | C03 | C04 | H5 | 57.3° | 57.7° |
| H4 | C04 | C05 | H6 | 56.8° | 59.3° |
| H4 | C04 | C05 | H7 | 176.7° | 179.2° |
| H5 | C04 | C05 | H6 | 62.8° | 60.8° |
| H5 | C04 | C05 | H7 | 57.1° | 59.1° |
| H6 | C05 | N06 | H10 | 61.6° | 54.2° |
| H7 | C05 | N06 | H10 | 58.3° | 65.8° |
| H8 | C07 | N06 | H10 | 58.0° | 65.9° |
| H9 | C07 | N06 | H10 | 61.8° | 54.1° |
