Obsolete: OCM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CO | O1 | sing | 1.72Å | 2.31Å | |
| CO | O2 | sing | 1.72Å | 2.49Å | |
| CO | O3 | sing | 1.72Å | 2.42Å | |
| O1 | HO11 | sing | 1.75Å | 0.95Å | |
| O1 | HO12 | sing | 0.97Å | 0.95Å | |
| O2 | HO21 | sing | 1.47Å | 0.95Å | |
| O2 | HO22 | sing | 0.97Å | 0.95Å | |
| O3 | HO31 | sing | 1.73Å | 0.95Å | |
| O3 | HO32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | CO | O2 | 90.8° | 90.0° |
| O1 | CO | O3 | 81.2° | 180.0° |
| CO | O1 | HO11 | 90.7° | 8.3° |
| CO | O1 | HO12 | 116.3° | 106.9° |
| O2 | CO | O3 | 82.2° | 90.0° |
| CO | O2 | HO21 | 90.7° | 0.3° |
| CO | O2 | HO22 | 116.3° | 106.8° |
| CO | O3 | HO31 | 81.2° | 8.4° |
| CO | O3 | HO32 | 120.2° | 106.8° |
| HO11 | O1 | HO12 | 116.3° | 115.1° |
| HO21 | O2 | HO22 | 116.3° | 106.5° |
| HO31 | O3 | HO32 | 120.3° | 115.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | CO | O2 | O3 | 81.0° | 180.0° |
| CO | O1 | HO11 | HO12 | 120.0° | 0.0° |
| O1 | CO | O2 | HO21 | 180.0° | 180.0° |
| O1 | CO | O2 | HO22 | 60.0° | 180.0° |
| O1 | CO | O3 | HO31 | 180.0° | 180.0° |
| O1 | CO | O3 | HO32 | 60.0° | 0.0° |
| O2 | CO | O1 | HO11 | 180.0° | 0.0° |
| O2 | CO | O1 | HO12 | 60.0° | 180.0° |
| CO | O2 | HO21 | HO22 | 120.0° | 180.0° |
| O2 | CO | O3 | HO31 | 88.0° | 0.0° |
| O2 | CO | O3 | HO32 | 32.0° | 180.0° |
| O3 | CO | O1 | HO11 | 98.0° | 180.0° |
| O3 | CO | O1 | HO12 | 22.0° | 0.0° |
| O3 | CO | O2 | HO21 | 99.0° | 0.0° |
| O3 | CO | O2 | HO22 | 141.0° | 0.0° |
| CO | O3 | HO31 | HO32 | 120.0° | 0.0° |
