4WC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | sing | 1.53Å | 1.54Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAC | CAB | sing | 1.53Å | 1.57Å | |
| CAB | CAG | sing | 1.53Å | 1.58Å | |
| CAG | CAF | sing | 1.53Å | 1.54Å | |
| CAF | CAE | sing | 1.53Å | 1.54Å | |
| CAE | CAH | sing | 1.53Å | 1.53Å | |
| CAH | CAI | sing | 1.53Å | 1.54Å | |
| CAI | CBM | sing | 1.51Å | 1.54Å | |
| CAI | O3 | sing | 1.43Å | 1.46Å | |
| CBM | OBO | sing | 1.34Å | 1.25Å | |
| CBM | OBN | doub | 1.21Å | 1.25Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| OBO | HBO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAE | 107.9° | 109.5° |
| CAD | CAC | CAB | 111.9° | 109.5° |
| CAC | CAD | HAD1 | 109.9° | 109.5° |
| CAC | CAD | HAD2 | 109.9° | 109.5° |
| CAD | CAC | HAC1 | 108.9° | 109.4° |
| CAD | CAC | HAC2 | 108.9° | 109.5° |
| CAD | CAE | CAF | 109.6° | 109.5° |
| CAD | CAE | CAH | 112.9° | 109.5° |
| CAE | CAD | HAD1 | 109.9° | 109.5° |
| CAE | CAD | HAD2 | 109.9° | 109.5° |
| CAD | CAE | HAE | 107.1° | 109.5° |
| CAC | CAB | CAG | 114.1° | 109.5° |
| CAB | CAC | HAC1 | 108.8° | 109.5° |
| CAB | CAC | HAC2 | 108.9° | 109.5° |
| CAC | CAB | HAB1 | 108.3° | 109.5° |
| CAC | CAB | HAB2 | 108.3° | 109.4° |
| CAB | CAG | CAF | 111.0° | 109.5° |
| CAG | CAB | HAB1 | 108.3° | 109.5° |
| CAG | CAB | HAB2 | 108.3° | 109.5° |
| CAB | CAG | HAG1 | 109.1° | 109.5° |
| CAB | CAG | HAG2 | 109.1° | 109.5° |
| CAG | CAF | CAE | 106.9° | 109.5° |
| CAF | CAG | HAG1 | 109.1° | 109.4° |
| CAF | CAG | HAG2 | 109.1° | 109.4° |
| CAG | CAF | HAF1 | 110.1° | 109.5° |
| CAG | CAF | HAF2 | 110.1° | 109.5° |
| CAF | CAE | CAH | 112.6° | 109.5° |
| CAF | CAE | HAE | 107.1° | 109.5° |
| CAE | CAF | HAF1 | 110.1° | 109.5° |
| CAE | CAF | HAF2 | 110.1° | 109.5° |
| CAE | CAH | CAI | 109.3° | 109.5° |
| CAH | CAE | HAE | 107.1° | 109.4° |
| CAE | CAH | HAH1 | 109.5° | 109.4° |
| CAE | CAH | HAH2 | 109.5° | 109.5° |
| CAH | CAI | CBM | 108.9° | 109.5° |
| CAH | CAI | O3 | 110.1° | 109.4° |
| CAI | CAH | HAH1 | 109.5° | 109.5° |
| CAI | CAH | HAH2 | 109.5° | 109.5° |
| CAH | CAI | HAI | 107.9° | 109.5° |
| CBM | CAI | O3 | 113.0° | 109.5° |
| CAI | CBM | OBO | 117.1° | 120.0° |
| CAI | CBM | OBN | 117.4° | 120.0° |
| CBM | CAI | HAI | 107.9° | 109.5° |
| O3 | CAI | HAI | 108.9° | 109.5° |
| CAI | O3 | H3 | 109.5° | 114.0° |
| OBO | CBM | OBN | 125.4° | 120.0° |
| CBM | OBO | HBO | 109.5° | 117.0° |
| HAD1 | CAD | HAD2 | 109.4° | 109.5° |
| HAC1 | CAC | HAC2 | 109.5° | 109.4° |
| HAB1 | CAB | HAB2 | 109.4° | 109.5° |
| HAG1 | CAG | HAG2 | 109.4° | 109.5° |
| HAF1 | CAF | HAF2 | 109.5° | 109.4° |
| HAH1 | CAH | HAH2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAE | HAD1 | 119.8° | 120.0° |
| CAC | CAD | CAE | HAD2 | 119.8° | 120.0° |
| CAD | CAC | CAB | HAC1 | 120.4° | 120.0° |
| CAD | CAC | CAB | HAC2 | 120.4° | 120.0° |
| CAD | CAC | CAB | CAG | 44.9° | 60.0° |
| CAC | CAD | CAE | CAF | 67.9° | 60.0° |
| CAC | CAD | CAE | CAH | 165.7° | 180.0° |
| CAC | CAD | HAD1 | HAD2 | 120.8° | 120.0° |
| CAD | CAC | HAC1 | HAC2 | 118.9° | 119.9° |
| CAC | CAD | CAE | HAE | 48.0° | 60.0° |
| CAD | CAC | CAB | HAB1 | 165.6° | 180.0° |
| CAD | CAC | CAB | HAB2 | 75.8° | 60.0° |
| CAE | CAD | CAC | CAB | 53.9° | 60.0° |
| CAD | CAE | CAF | CAG | 69.7° | 60.0° |
| CAD | CAE | CAF | CAH | 126.6° | 120.0° |
| CAD | CAE | CAF | HAE | 115.9° | 120.0° |
| CAD | CAE | CAH | HAE | 117.7° | 120.0° |
| CAD | CAE | CAH | CAI | 136.4° | 175.0° |
| CAE | CAD | HAD1 | HAD2 | 120.7° | 120.0° |
| CAE | CAD | CAC | HAC1 | 66.5° | 60.0° |
| CAE | CAD | CAC | HAC2 | 174.2° | 180.0° |
| CAD | CAE | CAF | HAF1 | 170.7° | 180.0° |
| CAD | CAE | CAF | HAF2 | 49.9° | 60.0° |
| CAD | CAE | CAH | HAH1 | 103.6° | 65.0° |
| CAD | CAE | CAH | HAH2 | 16.5° | 55.0° |
| CAC | CAB | CAG | HAB1 | 120.7° | 120.0° |
| CAC | CAB | CAG | HAB2 | 120.7° | 120.0° |
| CAC | CAB | CAG | CAF | 46.8° | 60.0° |
| CAB | CAC | CAD | HAD1 | 65.9° | 60.0° |
| CAB | CAC | CAD | HAD2 | 173.6° | 180.0° |
| CAB | CAC | HAC1 | HAC2 | 118.9° | 120.0° |
| CAC | CAB | HAB1 | HAB2 | 117.9° | 120.0° |
| CAC | CAB | CAG | HAG1 | 73.4° | 60.0° |
| CAC | CAB | CAG | HAG2 | 167.1° | 179.9° |
| CAB | CAG | CAF | HAG1 | 120.2° | 120.0° |
| CAB | CAG | CAF | HAG2 | 120.3° | 120.0° |
| CAB | CAG | CAF | CAE | 57.2° | 60.0° |
| CAG | CAB | CAC | HAC1 | 75.4° | 60.0° |
| CAG | CAB | CAC | HAC2 | 165.3° | 180.0° |
| CAG | CAB | HAB1 | HAB2 | 117.9° | 120.0° |
| CAB | CAG | HAG1 | HAG2 | 119.3° | 120.0° |
| CAB | CAG | CAF | HAF1 | 176.8° | 180.0° |
| CAB | CAG | CAF | HAF2 | 62.4° | 60.0° |
| CAG | CAF | CAE | HAF1 | 119.6° | 120.0° |
| CAG | CAF | CAE | HAF2 | 119.6° | 120.0° |
| CAG | CAF | CAE | CAH | 163.7° | 180.0° |
| CAG | CAF | CAE | HAE | 46.2° | 60.0° |
| CAF | CAG | CAB | HAB1 | 167.5° | 180.0° |
| CAF | CAG | CAB | HAB2 | 73.9° | 60.0° |
| CAF | CAG | HAG1 | HAG2 | 119.3° | 120.0° |
| CAG | CAF | HAF1 | HAF2 | 121.2° | 120.0° |
| CAF | CAE | CAH | HAE | 117.5° | 120.0° |
| CAF | CAE | CAH | CAI | 98.8° | 65.0° |
| CAF | CAE | CAD | HAD1 | 51.9° | 60.0° |
| CAF | CAE | CAD | HAD2 | 172.4° | 180.0° |
| CAE | CAF | CAG | HAG1 | 63.1° | 60.0° |
| CAE | CAF | CAG | HAG2 | 177.4° | 180.0° |
| CAE | CAF | HAF1 | HAF2 | 121.2° | 120.0° |
| CAF | CAE | CAH | HAH1 | 21.2° | 55.0° |
| CAF | CAE | CAH | HAH2 | 141.3° | 175.0° |
| CAE | CAH | CAI | HAH1 | 120.0° | 120.0° |
| CAE | CAH | CAI | HAH2 | 120.0° | 120.0° |
| CAE | CAH | CAI | CBM | 174.6° | 175.0° |
| CAE | CAH | CAI | O3 | 61.0° | 65.0° |
| CAH | CAE | CAD | HAD1 | 74.5° | 60.0° |
| CAH | CAE | CAD | HAD2 | 46.0° | 60.0° |
| CAH | CAE | CAF | HAF1 | 44.1° | 60.0° |
| CAH | CAE | CAF | HAF2 | 76.7° | 60.0° |
| CAE | CAH | HAH1 | HAH2 | 120.1° | 120.0° |
| CAE | CAH | CAI | HAI | 57.7° | 55.0° |
| CAH | CAI | CBM | O3 | 122.7° | 120.0° |
| CAH | CAI | CBM | HAI | 116.9° | 120.0° |
| CAH | CAI | O3 | HAI | 118.1° | 120.0° |
| CAH | CAI | CBM | OBO | 82.8° | 65.0° |
| CAH | CAI | CBM | OBN | 95.8° | 115.0° |
| CAI | CAH | CAE | HAE | 18.7° | 55.0° |
| CAI | CAH | HAH1 | HAH2 | 120.1° | 120.0° |
| CAH | CAI | O3 | H3 | 109.9° | 60.0° |
| CBM | CAI | O3 | HAI | 119.9° | 120.0° |
| CAI | CBM | OBO | OBN | 178.5° | 180.0° |
| CBM | CAI | CAH | HAH1 | 54.6° | 55.0° |
| CBM | CAI | CAH | HAH2 | 65.4° | 65.0° |
| CBM | CAI | O3 | H3 | 12.1° | 60.0° |
| CAI | CBM | OBO | HBO | 178.5° | 180.0° |
| O3 | CAI | CBM | OBO | 154.5° | 175.0° |
| O3 | CAI | CBM | OBN | 26.9° | 4.9° |
| O3 | CAI | CAH | HAH1 | 179.0° | 175.0° |
| O3 | CAI | CAH | HAH2 | 58.9° | 55.0° |
| OBO | CBM | CAI | HAI | 34.1° | 55.0° |
| OBN | CBM | CAI | HAI | 147.3° | 125.0° |
| OBN | CBM | OBO | HBO | 0.0° | 0.0° |
| HAD1 | CAD | CAC | HAC1 | 173.8° | 180.0° |
| HAD1 | CAD | CAC | HAC2 | 54.5° | 60.0° |
| HAD1 | CAD | CAE | HAE | 167.8° | 180.0° |
| HAD2 | CAD | CAC | HAC1 | 53.3° | 60.0° |
| HAD2 | CAD | CAC | HAC2 | 66.0° | 60.0° |
| HAD2 | CAD | CAE | HAE | 71.7° | 60.0° |
| HAC1 | CAC | CAB | HAB1 | 45.2° | 60.0° |
| HAC1 | CAC | CAB | HAB2 | 163.9° | 180.0° |
| HAC2 | CAC | CAB | HAB1 | 74.0° | 60.0° |
| HAC2 | CAC | CAB | HAB2 | 44.6° | 60.0° |
| HAE | CAE | CAF | HAF1 | 73.4° | 60.0° |
| HAE | CAE | CAF | HAF2 | 165.8° | 179.9° |
| HAE | CAE | CAH | HAH1 | 138.7° | 175.0° |
| HAE | CAE | CAH | HAH2 | 101.2° | 65.1° |
| HAB1 | CAB | CAG | HAG1 | 47.3° | 60.0° |
| HAB1 | CAB | CAG | HAG2 | 72.2° | 60.1° |
| HAB2 | CAB | CAG | HAG1 | 165.9° | 179.9° |
| HAB2 | CAB | CAG | HAG2 | 46.4° | 60.0° |
| HAG1 | CAG | CAF | HAF1 | 56.5° | 60.0° |
| HAG1 | CAG | CAF | HAF2 | 177.3° | 180.0° |
| HAG2 | CAG | CAF | HAF1 | 63.0° | 60.0° |
| HAG2 | CAG | CAF | HAF2 | 57.8° | 59.9° |
| HAH1 | CAH | CAI | HAI | 62.3° | 65.0° |
| HAH2 | CAH | CAI | HAI | 177.7° | 175.0° |
| HAI | CAI | O3 | H3 | 132.0° | 180.0° |
