4XX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAF | doub | 1.22Å | 1.24Å | |
| CAF | CAD | sing | 1.52Å | 1.42Å | |
| CAF | CAH | sing | 1.41Å | 1.36Å | |
| CAD | OAE | sing | 1.43Å | 1.46Å | |
| OAC | CAH | sing | 1.36Å | 1.33Å | |
| CAH | CAG | doub | 1.34Å | 1.37Å | |
| OAE | CAG | sing | 1.34Å | 1.35Å | |
| CAG | CAA | sing | 1.51Å | 1.51Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| OAC | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAF | CAD | 124.2° | 127.6° |
| OAB | CAF | CAH | 125.0° | 127.5° |
| CAD | CAF | CAH | 110.5° | 104.8° |
| CAF | CAD | OAE | 103.9° | 104.5° |
| CAF | CAD | H4 | 110.8° | 110.4° |
| CAF | CAD | H5 | 110.8° | 110.5° |
| CAF | CAH | OAC | 123.3° | 125.3° |
| CAF | CAH | CAG | 106.7° | 109.4° |
| CAD | OAE | CAG | 106.7° | 108.6° |
| OAE | CAD | H4 | 110.8° | 110.5° |
| OAE | CAD | H5 | 110.9° | 110.4° |
| OAC | CAH | CAG | 129.9° | 125.3° |
| CAH | OAC | H6 | 109.5° | 114.0° |
| CAH | CAG | OAE | 111.8° | 112.7° |
| CAH | CAG | CAA | 126.9° | 123.6° |
| OAE | CAG | CAA | 121.2° | 123.7° |
| CAG | CAA | H1 | 109.5° | 109.4° |
| CAG | CAA | H2 | 109.5° | 109.5° |
| CAG | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAD | H5 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAF | CAD | CAH | 174.1° | 179.7° |
| OAB | CAF | CAD | OAE | 179.0° | 179.9° |
| OAB | CAF | CAH | OAC | 3.6° | 0.2° |
| OAB | CAF | CAH | CAG | 175.7° | 179.9° |
| OAB | CAF | CAD | H4 | 61.9° | 61.3° |
| OAB | CAF | CAD | H5 | 59.8° | 61.1° |
| CAF | CAD | OAE | H4 | 119.1° | 118.8° |
| CAF | CAD | OAE | H5 | 119.1° | 118.8° |
| CAD | CAF | CAH | OAC | 177.6° | 180.0° |
| CAD | CAF | CAH | CAG | 1.7° | 0.4° |
| CAF | CAD | OAE | CAG | 6.3° | 0.0° |
| CAF | CAD | H4 | H5 | 122.6° | 122.5° |
| CAH | CAF | CAD | OAE | 4.9° | 0.2° |
| CAF | CAH | OAC | CAG | 179.2° | 179.6° |
| CAF | CAH | CAG | OAE | 2.6° | 0.4° |
| CAF | CAH | CAG | CAA | 179.3° | 179.8° |
| CAH | CAF | CAD | H4 | 124.0° | 119.0° |
| CAH | CAF | CAD | H5 | 114.2° | 118.6° |
| CAF | CAH | OAC | H6 | 1.6° | 0.1° |
| CAD | OAE | CAG | CAH | 5.7° | 0.2° |
| CAD | OAE | CAG | CAA | 177.5° | 180.0° |
| OAE | CAD | H4 | H5 | 122.6° | 122.4° |
| OAC | CAH | CAG | OAE | 178.1° | 179.9° |
| OAC | CAH | CAG | CAA | 1.4° | 0.1° |
| CAH | CAG | OAE | CAA | 176.9° | 179.8° |
| CAH | CAG | CAA | H1 | 176.4° | 179.8° |
| CAH | CAG | CAA | H2 | 63.6° | 60.3° |
| CAH | CAG | CAA | H3 | 56.4° | 59.8° |
| CAG | CAH | OAC | H6 | 177.6° | 179.6° |
| OAE | CAG | CAA | H1 | 0.0° | 0.0° |
| OAE | CAG | CAA | H2 | 120.0° | 119.9° |
| OAE | CAG | CAA | H3 | 120.0° | 120.0° |
| CAG | OAE | CAD | H4 | 125.3° | 118.8° |
| CAG | OAE | CAD | H5 | 112.9° | 118.8° |
| CAG | CAA | H1 | H2 | 120.0° | 120.0° |
| CAG | CAA | H1 | H3 | 120.0° | 120.0° |
| CAG | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
