DYD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C02 | sing | 1.43Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| O07 | C05 | sing | 1.43Å | 1.40Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| O07 | H13 | sing | 0.97Å | 0.95Å | |
| O08 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C02 | C01 | 108.3° | 109.4° |
| O08 | C02 | C03 | 108.2° | 109.5° |
| O08 | C02 | H4 | 110.5° | 109.4° |
| C02 | O08 | H14 | 109.5° | 114.0° |
| C01 | C02 | C03 | 112.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 108.8° | 109.5° |
| C02 | C03 | C04 | 112.0° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.5° |
| C02 | C03 | H5 | 108.8° | 109.5° |
| C02 | C03 | H6 | 108.8° | 109.6° |
| C03 | C04 | C05 | 112.6° | 109.5° |
| C04 | C03 | H5 | 108.8° | 109.4° |
| C04 | C03 | H6 | 108.8° | 109.4° |
| C03 | C04 | H7 | 108.7° | 109.4° |
| C03 | C04 | H8 | 108.7° | 109.4° |
| C04 | C05 | O07 | 108.3° | 109.5° |
| C04 | C05 | C06 | 111.9° | 109.4° |
| C05 | C04 | H7 | 108.7° | 109.5° |
| C05 | C04 | H8 | 108.7° | 109.5° |
| C04 | C05 | H9 | 108.9° | 109.5° |
| O07 | C05 | C06 | 108.2° | 109.5° |
| O07 | C05 | H9 | 110.7° | 109.5° |
| C05 | O07 | H13 | 109.5° | 114.0° |
| C06 | C05 | H9 | 108.9° | 109.4° |
| C05 | C06 | H10 | 109.5° | 109.4° |
| C05 | C06 | H11 | 109.5° | 109.5° |
| C05 | C06 | H12 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H10 | C06 | H11 | 109.5° | 109.5° |
| H10 | C06 | H12 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C02 | C01 | C03 | 119.4° | 120.0° |
| O08 | C02 | C01 | H4 | 120.1° | 119.9° |
| O08 | C02 | C03 | H4 | 120.1° | 120.0° |
| O08 | C02 | C03 | C04 | 63.6° | 65.0° |
| O08 | C02 | C01 | H1 | 180.0° | 60.0° |
| O08 | C02 | C01 | H2 | 60.0° | 60.0° |
| O08 | C02 | C01 | H3 | 60.0° | 180.0° |
| O08 | C02 | C03 | H5 | 176.0° | 175.0° |
| O08 | C02 | C03 | H6 | 56.8° | 55.0° |
| C01 | C02 | C03 | H4 | 120.4° | 120.1° |
| C01 | C02 | C03 | C04 | 176.9° | 175.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | C03 | H5 | 56.5° | 55.1° |
| C01 | C02 | C03 | H6 | 62.7° | 64.9° |
| C01 | C02 | O08 | H14 | 180.0° | 60.0° |
| C02 | C03 | C04 | H5 | 120.4° | 120.0° |
| C02 | C03 | C04 | H6 | 120.4° | 120.1° |
| C02 | C03 | C04 | C05 | 164.2° | 180.0° |
| C03 | C02 | C01 | H1 | 60.6° | 180.0° |
| C03 | C02 | C01 | H2 | 179.4° | 59.9° |
| C03 | C02 | C01 | H3 | 59.5° | 60.0° |
| C02 | C03 | H5 | H6 | 118.8° | 120.1° |
| C02 | C03 | C04 | H7 | 75.3° | 60.0° |
| C02 | C03 | C04 | H8 | 43.7° | 60.0° |
| C03 | C02 | O08 | H14 | 58.0° | 180.0° |
| C03 | C04 | C05 | H7 | 120.5° | 120.0° |
| C03 | C04 | C05 | H8 | 120.5° | 119.9° |
| C03 | C04 | C05 | O07 | 84.5° | 65.0° |
| C03 | C04 | C05 | C06 | 156.3° | 175.0° |
| C04 | C03 | C02 | H4 | 56.5° | 55.0° |
| C04 | C03 | H5 | H6 | 118.8° | 119.9° |
| C03 | C04 | H7 | H8 | 118.5° | 119.9° |
| C03 | C04 | C05 | H9 | 35.9° | 55.1° |
| C04 | C05 | O07 | C06 | 121.5° | 120.0° |
| C04 | C05 | O07 | H9 | 119.3° | 120.1° |
| C04 | C05 | C06 | H9 | 120.4° | 120.0° |
| C05 | C04 | C03 | H5 | 43.9° | 59.9° |
| C05 | C04 | C03 | H6 | 75.4° | 59.9° |
| C05 | C04 | H7 | H8 | 118.6° | 120.1° |
| C04 | C05 | C06 | H10 | 180.0° | 60.0° |
| C04 | C05 | C06 | H11 | 60.0° | 180.0° |
| C04 | C05 | C06 | H12 | 60.0° | 60.0° |
| C04 | C05 | O07 | H13 | 180.0° | 179.9° |
| O07 | C05 | C06 | H9 | 120.3° | 120.0° |
| O07 | C05 | C04 | H7 | 35.9° | 55.0° |
| O07 | C05 | C04 | H8 | 155.0° | 175.0° |
| O07 | C05 | C06 | H10 | 60.7° | 180.0° |
| O07 | C05 | C06 | H11 | 59.3° | 59.9° |
| O07 | C05 | C06 | H12 | 179.3° | 60.0° |
| C06 | C05 | C04 | H7 | 83.2° | 65.0° |
| C06 | C05 | C04 | H8 | 35.8° | 55.1° |
| C05 | C06 | H10 | H11 | 120.0° | 120.0° |
| C05 | C06 | H10 | H12 | 120.0° | 120.0° |
| C05 | C06 | H11 | H12 | 120.0° | 120.0° |
| C06 | C05 | O07 | H13 | 58.5° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.9° | 59.9° |
| H2 | C01 | C02 | H4 | 60.2° | 180.0° |
| H3 | C01 | C02 | H4 | 179.9° | 60.1° |
| H4 | C02 | C03 | H5 | 63.9° | 65.0° |
| H4 | C02 | C03 | H6 | 176.9° | 175.0° |
| H4 | C02 | O08 | H14 | 61.0° | 60.0° |
| H5 | C03 | C04 | H7 | 164.3° | 180.0° |
| H5 | C03 | C04 | H8 | 76.6° | 60.1° |
| H6 | C03 | C04 | H7 | 45.1° | 60.1° |
| H6 | C03 | C04 | H8 | 164.1° | 179.9° |
| H7 | C04 | C05 | H9 | 156.3° | 175.0° |
| H8 | C04 | C05 | H9 | 84.6° | 64.9° |
| H9 | C05 | C06 | H10 | 59.6° | 60.0° |
| H9 | C05 | C06 | H11 | 179.6° | 60.1° |
| H9 | C05 | C06 | H12 | 60.4° | 180.0° |
| H9 | C05 | O07 | H13 | 60.7° | 60.0° |
| H10 | C06 | H11 | H12 | 120.0° | 120.1° |
