Obsolete: CD3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD | O1 | sing | 0.00Å | 2.37Å | |
| CD | O2 | sing | 0.00Å | 2.46Å | |
| CD | O3 | sing | 0.00Å | 2.36Å | |
| O1 | HO11 | sing | 0.00Å | 0.95Å | |
| O1 | HO12 | sing | 0.00Å | 0.95Å | |
| O2 | HO21 | sing | 0.00Å | 0.95Å | |
| O2 | HO22 | sing | 0.00Å | 0.95Å | |
| O3 | HO31 | sing | 0.00Å | 0.95Å | |
| O3 | HO32 | sing | 0.00Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | CD | O2 | 73.5° | 90.0° |
| O1 | CD | O3 | 83.1° | 90.0° |
| CD | O1 | HO11 | 73.5° | 90.0° |
| CD | O1 | HO12 | 123.8° | 90.0° |
| O2 | CD | O3 | 102.1° | 90.0° |
| CD | O2 | HO21 | 73.5° | 90.0° |
| CD | O2 | HO22 | 123.8° | 90.0° |
| CD | O3 | HO31 | 83.1° | 90.0° |
| CD | O3 | HO32 | 119.4° | 90.0° |
| HO11 | O1 | HO12 | 123.8° | 90.0° |
| HO21 | O2 | HO22 | 123.8° | 90.0° |
| HO31 | O3 | HO32 | 119.4° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | CD | O2 | O3 | 78.9° | 90.0° |
| CD | O1 | HO11 | HO12 | 120.0° | 90.0° |
| O1 | CD | O2 | HO21 | 180.0° | 90.0° |
| O1 | CD | O2 | HO22 | 60.0° | 90.0° |
| O1 | CD | O3 | HO31 | 180.0° | 90.0° |
| O1 | CD | O3 | HO32 | 60.0° | 90.0° |
| O2 | CD | O1 | HO11 | 180.0° | 90.0° |
| O2 | CD | O1 | HO12 | 60.0° | 90.0° |
| CD | O2 | HO21 | HO22 | 120.0° | 90.0° |
| O2 | CD | O3 | HO31 | 108.6° | 90.0° |
| O2 | CD | O3 | HO32 | 11.4° | 90.0° |
| O3 | CD | O1 | HO11 | 75.1° | 90.0° |
| O3 | CD | O1 | HO12 | 44.9° | 90.0° |
| O3 | CD | O2 | HO21 | 101.1° | 90.0° |
| O3 | CD | O2 | HO22 | 138.9° | 90.0° |
| CD | O3 | HO31 | HO32 | 120.0° | 90.0° |






