0PA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C7 | C3 | sing | 1.55Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.54Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C2 | 119.2° | 120.0° |
| O2 | C1 | O1 | 121.5° | 120.0° |
| C2 | C1 | O1 | 119.4° | 120.0° |
| C1 | C2 | C3 | 111.1° | 109.4° |
| C1 | C2 | H2 | 109.0° | 109.5° |
| C1 | C2 | H2A | 108.6° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| C3 | C2 | H2 | 108.9° | 109.5° |
| C3 | C2 | H2A | 108.6° | 109.5° |
| C2 | C3 | C4 | 113.2° | 110.5° |
| C2 | C3 | C7 | 112.7° | 110.5° |
| C2 | C3 | H3 | 103.3° | 110.5° |
| H2 | C2 | H2A | 110.7° | 109.5° |
| C4 | C3 | C7 | 105.3° | 104.3° |
| C4 | C3 | H3 | 111.0° | 110.5° |
| C3 | C4 | C5 | 106.5° | 106.6° |
| C3 | C4 | H4 | 110.5° | 110.0° |
| C3 | C4 | H4A | 111.1° | 110.1° |
| C7 | C3 | H3 | 111.5° | 110.5° |
| C3 | C7 | C6 | 106.8° | 102.7° |
| C3 | C7 | H7 | 110.4° | 111.0° |
| C3 | C7 | H7A | 111.0° | 110.6° |
| C5 | C4 | H4 | 110.5° | 110.0° |
| C5 | C4 | H4A | 111.1° | 110.1° |
| C4 | C5 | C6 | 106.8° | 106.6° |
| C4 | C5 | H5 | 110.4° | 110.0° |
| C4 | C5 | H5A | 111.0° | 110.0° |
| H4 | C4 | H4A | 107.2° | 110.0° |
| C6 | C5 | H5 | 110.4° | 110.0° |
| C6 | C5 | H5A | 110.9° | 110.1° |
| C5 | C6 | C7 | 107.6° | 104.3° |
| C5 | C6 | H6 | 110.1° | 110.4° |
| C5 | C6 | H6A | 110.5° | 110.4° |
| H5 | C5 | H5A | 107.4° | 110.1° |
| C7 | C6 | H6 | 110.1° | 110.6° |
| C7 | C6 | H6A | 110.5° | 110.4° |
| C6 | C7 | H7 | 110.4° | 110.7° |
| C6 | C7 | H7A | 111.0° | 110.8° |
| H6 | C6 | H6A | 108.0° | 110.6° |
| H7 | C7 | H7A | 107.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | O1 | 179.9° | 179.8° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.0° |
| O2 | C1 | C2 | C3 | 65.5° | 0.1° |
| O2 | C1 | C2 | H2 | 174.5° | 120.0° |
| O2 | C1 | C2 | H2A | 53.9° | 120.0° |
| C2 | C1 | O1 | HO1 | 179.9° | 179.8° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 119.3° | 119.9° |
| C1 | C2 | H2 | H2A | 119.3° | 120.0° |
| C1 | C2 | C3 | C4 | 53.8° | 176.8° |
| C1 | C2 | C3 | C7 | 173.1° | 68.3° |
| C1 | C2 | C3 | H3 | 66.4° | 54.3° |
| O1 | C1 | C2 | C3 | 114.6° | 179.7° |
| O1 | C1 | C2 | H2 | 5.4° | 60.2° |
| O1 | C1 | C2 | H2A | 126.1° | 59.7° |
| C3 | C2 | H2 | H2A | 119.3° | 120.0° |
| C2 | C3 | C4 | C7 | 123.5° | 118.8° |
| C2 | C3 | C4 | H3 | 115.7° | 122.5° |
| C2 | C3 | C7 | H3 | 115.7° | 122.5° |
| C2 | C3 | C4 | C5 | 150.7° | 142.3° |
| C2 | C3 | C4 | H4 | 30.7° | 23.0° |
| C2 | C3 | C4 | H4A | 88.2° | 98.4° |
| C2 | C3 | C7 | C6 | 146.3° | 156.5° |
| C2 | C3 | C7 | H7 | 93.7° | 85.1° |
| C2 | C3 | C7 | H7A | 25.2° | 38.2° |
| H2 | C2 | C3 | C4 | 173.8° | 63.2° |
| H2 | C2 | C3 | C7 | 66.8° | 51.8° |
| H2 | C2 | C3 | H3 | 53.7° | 174.3° |
| H2A | C2 | C3 | C4 | 65.5° | 56.9° |
| H2A | C2 | C3 | C7 | 53.8° | 171.8° |
| H2A | C2 | C3 | H3 | 174.3° | 65.7° |
| C4 | C3 | C7 | H3 | 120.5° | 118.7° |
| C3 | C4 | C5 | H4 | 120.0° | 119.2° |
| C3 | C4 | C5 | H4A | 121.1° | 119.4° |
| C3 | C4 | H4 | H4A | 121.2° | 121.5° |
| C3 | C4 | C5 | C6 | 21.4° | 0.0° |
| C3 | C4 | C5 | H5 | 141.5° | 119.2° |
| C3 | C4 | C5 | H5A | 99.6° | 119.3° |
| C4 | C3 | C7 | C6 | 22.5° | 37.7° |
| C4 | C3 | C7 | H7 | 142.5° | 156.1° |
| C4 | C3 | C7 | H7A | 98.6° | 80.5° |
| C7 | C3 | C4 | C5 | 27.2° | 23.5° |
| C7 | C3 | C4 | H4 | 92.8° | 95.7° |
| C7 | C3 | C4 | H4A | 148.3° | 142.9° |
| C3 | C7 | C6 | C5 | 9.5° | 37.8° |
| C3 | C7 | C6 | H7 | 120.0° | 118.6° |
| C3 | C7 | C6 | H7A | 121.1° | 118.2° |
| C3 | C7 | C6 | H6 | 129.5° | 156.4° |
| C3 | C7 | C6 | H6A | 111.2° | 80.9° |
| C3 | C7 | H7 | H7A | 121.1° | 123.3° |
| H3 | C3 | C4 | C5 | 93.6° | 95.2° |
| H3 | C3 | C4 | H4 | 146.4° | 145.6° |
| H3 | C3 | C4 | H4A | 27.5° | 24.2° |
| H3 | C3 | C7 | C6 | 98.0° | 81.0° |
| H3 | C3 | C7 | H7 | 22.0° | 37.4° |
| H3 | C3 | C7 | H7A | 140.9° | 160.8° |
| C5 | C4 | H4 | H4A | 121.2° | 121.4° |
| C4 | C5 | C6 | H5 | 120.0° | 119.2° |
| C4 | C5 | C6 | H5A | 121.0° | 119.3° |
| C4 | C5 | H5 | H5A | 121.1° | 121.4° |
| C4 | C5 | C6 | C7 | 7.3° | 23.5° |
| C4 | C5 | C6 | H6 | 112.7° | 142.3° |
| C4 | C5 | C6 | H6A | 128.1° | 95.1° |
| H4 | C4 | C5 | C6 | 98.5° | 119.3° |
| H4 | C4 | C5 | H5 | 21.5° | 0.0° |
| H4 | C4 | C5 | H5A | 140.4° | 121.4° |
| H4A | C4 | C5 | C6 | 142.6° | 119.4° |
| H4A | C4 | C5 | H5 | 97.4° | 121.4° |
| H4A | C4 | C5 | H5A | 21.5° | 0.1° |
| C6 | C5 | H5 | H5A | 121.1° | 121.5° |
| C5 | C6 | C7 | H6 | 120.0° | 118.7° |
| C5 | C6 | C7 | H6A | 120.7° | 118.6° |
| C5 | C6 | H6 | H6A | 120.7° | 122.5° |
| C5 | C6 | C7 | H7 | 129.5° | 156.3° |
| C5 | C6 | C7 | H7A | 111.6° | 80.4° |
| H5 | C5 | C6 | C7 | 127.4° | 95.7° |
| H5 | C5 | C6 | H6 | 7.3° | 23.1° |
| H5 | C5 | C6 | H6A | 111.9° | 145.7° |
| H5A | C5 | C6 | C7 | 113.7° | 142.8° |
| H5A | C5 | C6 | H6 | 126.3° | 98.4° |
| H5A | C5 | C6 | H6A | 7.0° | 24.2° |
| C7 | C6 | H6 | H6A | 120.8° | 122.6° |
| C6 | C7 | H7 | H7A | 121.1° | 123.3° |
| H6 | C6 | C7 | H7 | 110.5° | 85.0° |
| H6 | C6 | C7 | H7A | 8.4° | 38.3° |
| H6A | C6 | C7 | H7 | 8.7° | 37.7° |
| H6A | C6 | C7 | H7A | 127.7° | 161.0° |
