OCA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | O2 | sing | 1.36Å | 119.04Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | C8 | sing | 1.52Å | 1.52Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 117.9° | 125.5° |
| C2 | C1 | O2 | 150.6° | 111.3° |
| C1 | C2 | C3 | 112.8° | 111.8° |
| C1 | C2 | H21 | 107.6° | 108.2° |
| C1 | C2 | H22 | 108.4° | 107.7° |
| O1 | C1 | O2 | 33.2° | 123.1° |
| C1 | O2 | HO2 | 150.6° | 114.9° |
| C3 | C2 | H21 | 107.6° | 109.6° |
| C3 | C2 | H22 | 108.4° | 110.2° |
| C2 | C3 | C4 | 112.4° | 113.4° |
| C2 | C3 | H31 | 107.8° | 109.2° |
| C2 | C3 | H32 | 108.5° | 109.9° |
| H21 | C2 | H22 | 112.1° | 109.3° |
| C4 | C3 | H31 | 107.8° | 108.0° |
| C4 | C3 | H32 | 108.5° | 110.2° |
| C3 | C4 | C5 | 110.2° | 115.8° |
| C3 | C4 | H41 | 109.1° | 108.8° |
| C3 | C4 | H42 | 109.2° | 108.4° |
| H31 | C3 | H32 | 111.8° | 105.8° |
| C5 | C4 | H41 | 109.1° | 108.4° |
| C5 | C4 | H42 | 109.2° | 108.9° |
| C4 | C5 | C6 | 111.6° | 113.4° |
| C4 | C5 | H51 | 108.3° | 108.0° |
| C4 | C5 | H52 | 108.8° | 110.0° |
| H41 | C4 | H42 | 110.0° | 106.3° |
| C6 | C5 | H51 | 108.3° | 109.1° |
| C6 | C5 | H52 | 108.8° | 109.8° |
| C5 | C6 | C7 | 111.3° | 111.2° |
| C5 | C6 | H61 | 108.5° | 110.1° |
| C5 | C6 | H62 | 108.8° | 109.6° |
| H51 | C5 | H52 | 111.1° | 106.2° |
| C7 | C6 | H61 | 108.5° | 109.0° |
| C7 | C6 | H62 | 108.9° | 109.5° |
| C6 | C7 | C8 | 114.4° | 111.5° |
| C6 | C7 | H71 | 106.7° | 109.9° |
| C6 | C7 | H72 | 107.9° | 109.8° |
| H61 | C6 | H62 | 110.9° | 107.3° |
| C8 | C7 | H71 | 106.7° | 109.1° |
| C8 | C7 | H72 | 107.8° | 109.2° |
| C7 | C8 | H81 | 109.5° | 111.0° |
| C7 | C8 | H82 | 109.5° | 110.2° |
| C7 | C8 | H83 | 109.5° | 111.0° |
| H71 | C7 | H72 | 113.4° | 107.3° |
| H81 | C8 | H82 | 109.5° | 108.1° |
| H81 | C8 | H83 | 109.5° | 108.3° |
| H82 | C8 | H83 | 109.5° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 172.4° | 179.8° |
| C1 | C2 | C3 | H21 | 118.6° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 119.7° |
| C1 | C2 | H21 | H22 | 119.1° | 117.0° |
| C1 | C2 | C3 | C4 | 65.8° | 179.5° |
| C1 | C2 | C3 | H31 | 175.5° | 60.1° |
| C1 | C2 | C3 | H32 | 54.2° | 55.6° |
| C2 | C1 | O2 | HO2 | 180.0° | 179.7° |
| O1 | C1 | C2 | C3 | 69.1° | 0.8° |
| O1 | C1 | C2 | H21 | 172.3° | 120.0° |
| O1 | C1 | C2 | H22 | 50.9° | 122.0° |
| O1 | C1 | O2 | HO2 | 166.3° | 0.1° |
| O2 | C1 | C2 | C3 | 77.6° | 179.0° |
| O2 | C1 | C2 | H21 | 163.9° | 60.2° |
| O2 | C1 | C2 | H22 | 42.4° | 57.8° |
| C3 | C2 | H21 | H22 | 119.1° | 120.8° |
| C2 | C3 | C4 | H31 | 118.7° | 121.1° |
| C2 | C3 | C4 | H32 | 120.0° | 123.7° |
| C2 | C3 | H31 | H32 | 119.2° | 118.3° |
| C2 | C3 | C4 | C5 | 174.4° | 177.7° |
| C2 | C3 | C4 | H41 | 65.8° | 60.0° |
| C2 | C3 | C4 | H42 | 54.4° | 55.1° |
| H21 | C2 | C3 | C4 | 52.8° | 60.5° |
| H21 | C2 | C3 | H31 | 66.0° | 59.9° |
| H21 | C2 | C3 | H32 | 172.7° | 175.6° |
| H22 | C2 | C3 | C4 | 174.2° | 59.7° |
| H22 | C2 | C3 | H31 | 55.4° | 179.8° |
| H22 | C2 | C3 | H32 | 65.8° | 64.1° |
| C4 | C3 | H31 | H32 | 119.2° | 118.0° |
| C3 | C4 | C5 | H41 | 119.7° | 122.5° |
| C3 | C4 | C5 | H42 | 120.0° | 122.3° |
| C3 | C4 | H41 | H42 | 119.8° | 116.5° |
| C3 | C4 | C5 | C6 | 162.3° | 179.0° |
| C3 | C4 | C5 | H51 | 43.1° | 60.0° |
| C3 | C4 | C5 | H52 | 77.7° | 55.5° |
| H31 | C3 | C4 | C5 | 55.7° | 56.6° |
| H31 | C3 | C4 | H41 | 175.4° | 178.8° |
| H31 | C3 | C4 | H42 | 64.3° | 66.0° |
| H32 | C3 | C4 | C5 | 65.6° | 58.6° |
| H32 | C3 | C4 | H41 | 54.2° | 63.7° |
| H32 | C3 | C4 | H42 | 174.4° | 178.8° |
| C5 | C4 | H41 | H42 | 119.8° | 116.9° |
| C4 | C5 | C6 | H51 | 119.1° | 120.4° |
| C4 | C5 | C6 | H52 | 120.0° | 123.6° |
| C4 | C5 | H51 | H52 | 119.4° | 118.0° |
| C4 | C5 | C6 | C7 | 164.0° | 179.7° |
| C4 | C5 | C6 | H61 | 76.7° | 58.7° |
| C4 | C5 | C6 | H62 | 44.1° | 59.1° |
| H41 | C4 | C5 | C6 | 78.0° | 58.5° |
| H41 | C4 | C5 | H51 | 162.8° | 62.5° |
| H41 | C4 | C5 | H52 | 42.0° | 178.0° |
| H42 | C4 | C5 | C6 | 42.3° | 56.7° |
| H42 | C4 | C5 | H51 | 76.9° | 177.7° |
| H42 | C4 | C5 | H52 | 162.3° | 66.8° |
| C6 | C5 | H51 | H52 | 119.4° | 118.3° |
| C5 | C6 | C7 | H61 | 119.2° | 121.6° |
| C5 | C6 | C7 | H62 | 120.0° | 121.3° |
| C5 | C6 | H61 | H62 | 119.5° | 119.2° |
| C5 | C6 | C7 | C8 | 60.9° | 178.4° |
| C5 | C6 | C7 | H71 | 56.9° | 57.4° |
| C5 | C6 | C7 | H72 | 179.1° | 60.4° |
| H51 | C5 | C6 | C7 | 45.0° | 60.0° |
| H51 | C5 | C6 | H61 | 164.2° | 179.1° |
| H51 | C5 | C6 | H62 | 75.0° | 61.3° |
| H52 | C5 | C6 | C7 | 75.9° | 56.1° |
| H52 | C5 | C6 | H61 | 43.3° | 64.9° |
| H52 | C5 | C6 | H62 | 164.1° | 177.3° |
| C7 | C6 | H61 | H62 | 119.5° | 118.5° |
| C6 | C7 | C8 | H71 | 117.8° | 121.5° |
| C6 | C7 | C8 | H72 | 120.0° | 121.5° |
| C6 | C7 | H71 | H72 | 118.7° | 119.4° |
| C6 | C7 | C8 | H81 | 55.5° | 60.2° |
| C6 | C7 | C8 | H82 | 175.5° | 179.9° |
| C6 | C7 | C8 | H83 | 64.5° | 60.3° |
| H61 | C6 | C7 | C8 | 179.9° | 60.0° |
| H61 | C6 | C7 | H71 | 62.4° | 178.9° |
| H61 | C6 | C7 | H72 | 59.9° | 61.1° |
| H62 | C6 | C7 | C8 | 59.1° | 57.1° |
| H62 | C6 | C7 | H71 | 176.8° | 64.0° |
| H62 | C6 | C7 | H72 | 60.9° | 178.2° |
| C8 | C7 | H71 | H72 | 118.6° | 118.1° |
| C7 | C8 | H81 | H82 | 120.0° | 121.0° |
| C7 | C8 | H81 | H83 | 120.0° | 122.1° |
| C7 | C8 | H82 | H83 | 120.0° | 121.5° |
| H71 | C7 | C8 | H81 | 62.3° | 178.3° |
| H71 | C7 | C8 | H82 | 57.7° | 58.5° |
| H71 | C7 | C8 | H83 | 177.7° | 61.2° |
| H72 | C7 | C8 | H81 | 175.5° | 61.3° |
| H72 | C7 | C8 | H82 | 64.5° | 58.4° |
| H72 | C7 | C8 | H83 | 55.5° | 178.1° |
| H81 | C8 | H82 | H83 | 120.0° | 117.1° |
