DIO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C1' | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C2' | sing | 1.53Å | 1.58Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C1' | O1' | sing | 1.43Å | 1.45Å | |
| C1' | H1'1 | sing | 1.09Å | 1.12Å | |
| C1' | H1'2 | sing | 1.09Å | 1.11Å | |
| C2' | O1' | sing | 1.43Å | 1.42Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1' | C1 | O1 | 110.2° | 109.7° |
| C1' | C1 | H11 | 111.9° | 109.4° |
| C1' | C1 | H12 | 111.9° | 109.5° |
| C1 | C1' | O1' | 110.2° | 109.7° |
| C1 | C1' | H1'1 | 111.9° | 109.4° |
| C1 | C1' | H1'2 | 112.0° | 109.5° |
| O1 | C1 | H11 | 111.9° | 109.5° |
| O1 | C1 | H12 | 111.9° | 109.5° |
| C1 | O1 | C2 | 110.0° | 107.0° |
| H11 | C1 | H12 | 98.5° | 109.3° |
| C2' | C2 | O1 | 110.4° | 109.7° |
| C2' | C2 | H21 | 111.9° | 109.5° |
| C2' | C2 | H22 | 111.8° | 109.4° |
| C2 | C2' | O1' | 110.2° | 109.7° |
| C2 | C2' | H2'1 | 111.9° | 109.4° |
| C2 | C2' | H2'2 | 111.9° | 109.5° |
| O1 | C2 | H21 | 111.9° | 109.5° |
| O1 | C2 | H22 | 111.9° | 109.5° |
| H21 | C2 | H22 | 98.5° | 109.3° |
| O1' | C1' | H1'1 | 111.9° | 109.5° |
| O1' | C1' | H1'2 | 111.9° | 109.5° |
| C1' | O1' | C2' | 109.7° | 107.0° |
| H1'1 | C1' | H1'2 | 98.5° | 109.3° |
| O1' | C2' | H2'1 | 111.9° | 109.5° |
| O1' | C2' | H2'2 | 111.9° | 109.5° |
| H2'1 | C2' | H2'2 | 98.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1' | C1 | O1 | H11 | 125.2° | 120.0° |
| C1' | C1 | O1 | H12 | 125.3° | 120.1° |
| C1' | C1 | H11 | H12 | 117.9° | 119.9° |
| C1' | C1 | O1 | C2 | 59.2° | 61.1° |
| C1 | C1' | O1' | H1'1 | 125.3° | 120.0° |
| C1 | C1' | O1' | H1'2 | 125.3° | 120.1° |
| C1 | C1' | H1'1 | H1'2 | 117.9° | 119.9° |
| C1 | C1' | O1' | C2' | 59.6° | 61.1° |
| O1 | C1 | H11 | H12 | 117.9° | 119.9° |
| C1 | O1 | C2 | C2' | 57.0° | 61.1° |
| C1 | O1 | C2 | H21 | 177.7° | 178.7° |
| C1 | O1 | C2 | H22 | 68.2° | 58.9° |
| O1 | C1 | C1' | O1' | 60.2° | 62.8° |
| O1 | C1 | C1' | H1'1 | 65.0° | 57.3° |
| O1 | C1 | C1' | H1'2 | 174.5° | 177.1° |
| H11 | C1 | O1 | C2 | 66.0° | 58.9° |
| H11 | C1 | C1' | O1' | 65.0° | 57.3° |
| H11 | C1 | C1' | H1'1 | 169.8° | 177.3° |
| H11 | C1 | C1' | H1'2 | 60.3° | 62.9° |
| H12 | C1 | O1 | C2 | 175.6° | 178.7° |
| H12 | C1 | C1' | O1' | 174.5° | 177.1° |
| H12 | C1 | C1' | H1'1 | 60.3° | 62.9° |
| H12 | C1 | C1' | H1'2 | 49.2° | 56.9° |
| C2' | C2 | O1 | H21 | 125.3° | 120.1° |
| C2' | C2 | O1 | H22 | 125.2° | 120.0° |
| C2' | C2 | H21 | H22 | 117.7° | 119.9° |
| C2 | C2' | O1' | C1' | 57.3° | 61.1° |
| C2 | C2' | O1' | H2'1 | 125.2° | 120.0° |
| C2 | C2' | O1' | H2'2 | 125.3° | 120.1° |
| C2 | C2' | H2'1 | H2'2 | 117.8° | 119.9° |
| O1 | C2 | H21 | H22 | 117.8° | 119.9° |
| O1 | C2 | C2' | O1' | 56.9° | 62.8° |
| O1 | C2 | C2' | H2'1 | 177.9° | 57.3° |
| O1 | C2 | C2' | H2'2 | 68.4° | 177.1° |
| H21 | C2 | C2' | O1' | 177.9° | 177.1° |
| H21 | C2 | C2' | H2'1 | 52.6° | 62.9° |
| H21 | C2 | C2' | H2'2 | 56.9° | 56.9° |
| H22 | C2 | C2' | O1' | 68.4° | 57.3° |
| H22 | C2 | C2' | H2'1 | 56.8° | 177.3° |
| H22 | C2 | C2' | H2'2 | 166.3° | 62.9° |
| O1' | C1' | H1'1 | H1'2 | 117.8° | 119.9° |
| C1' | O1' | C2' | H2'1 | 177.4° | 58.9° |
| C1' | O1' | C2' | H2'2 | 67.9° | 178.7° |
| H1'1 | C1' | O1' | C2' | 65.7° | 58.9° |
| H1'2 | C1' | O1' | C2' | 175.1° | 178.7° |
| O1' | C2' | H2'1 | H2'2 | 117.9° | 119.9° |
