5OZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C01 | sing | 1.53Å | 1.51Å | |
| O | C02 | doub | 1.21Å | 1.41Å | |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C01 | C03 | sing | 1.53Å | 1.52Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C01 | C02 | 109.6° | 109.5° |
| C | C01 | C03 | 114.6° | 109.5° |
| C | C01 | H2 | 107.0° | 109.5° |
| C01 | C | H8 | 109.5° | 109.5° |
| C01 | C | H9 | 109.5° | 109.5° |
| C01 | C | H10 | 109.4° | 109.4° |
| O | C02 | C01 | 108.1° | 120.1° |
| O | C02 | H3 | 126.0° | 120.0° |
| C02 | C01 | C03 | 111.2° | 109.5° |
| C02 | C01 | H2 | 107.0° | 109.4° |
| C01 | C02 | H3 | 125.9° | 120.0° |
| C03 | C01 | H2 | 107.0° | 109.5° |
| C01 | C03 | H5 | 109.5° | 109.4° |
| C01 | C03 | H6 | 109.5° | 109.5° |
| C01 | C03 | H7 | 109.4° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H7 | 109.4° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.4° | 109.4° |
| H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C01 | C02 | O | 55.6° | 120.0° |
| C | C01 | C02 | C03 | 127.7° | 120.0° |
| C | C01 | C02 | H2 | 115.7° | 120.0° |
| C | C01 | C03 | H2 | 118.5° | 120.0° |
| C | C01 | C02 | H3 | 124.4° | 60.0° |
| C | C01 | C03 | H5 | 180.0° | 60.0° |
| C | C01 | C03 | H6 | 60.0° | 59.9° |
| C | C01 | C03 | H7 | 60.0° | 180.0° |
| C01 | C | H8 | H9 | 120.0° | 120.1° |
| C01 | C | H8 | H10 | 120.0° | 120.0° |
| C01 | C | H9 | H10 | 120.0° | 120.0° |
| O | C02 | C01 | H3 | 180.0° | 180.0° |
| O | C02 | C01 | C03 | 72.1° | 120.0° |
| O | C02 | C01 | H2 | 171.3° | 0.0° |
| C02 | C01 | C03 | H2 | 116.5° | 119.9° |
| C02 | C01 | C03 | H5 | 55.0° | 60.0° |
| C02 | C01 | C03 | H6 | 65.0° | 180.0° |
| C02 | C01 | C03 | H7 | 175.0° | 59.9° |
| C02 | C01 | C | H8 | 180.0° | 59.9° |
| C02 | C01 | C | H9 | 60.0° | 180.0° |
| C02 | C01 | C | H10 | 60.0° | 60.0° |
| C03 | C01 | C02 | H3 | 107.9° | 60.0° |
| C01 | C03 | H5 | H6 | 120.0° | 120.0° |
| C01 | C03 | H5 | H7 | 120.0° | 120.0° |
| C01 | C03 | H6 | H7 | 120.0° | 120.0° |
| C03 | C01 | C | H8 | 54.2° | 180.0° |
| C03 | C01 | C | H9 | 65.8° | 60.0° |
| C03 | C01 | C | H10 | 174.2° | 60.0° |
| H2 | C01 | C02 | H3 | 8.7° | 180.0° |
| H2 | C01 | C03 | H5 | 61.5° | 180.0° |
| H2 | C01 | C03 | H6 | 178.5° | 60.1° |
| H2 | C01 | C03 | H7 | 58.5° | 60.0° |
| H2 | C01 | C | H8 | 64.3° | 60.0° |
| H2 | C01 | C | H9 | 175.7° | 60.0° |
| H2 | C01 | C | H10 | 55.7° | 180.0° |
| H5 | C03 | H6 | H7 | 120.0° | 120.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
